USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 79 MET CE :methyl 160:sc= -0.159 (180deg=-1.79) USER MOD Set 1.2: Y 111 LYS NZ :NH3+ 141:sc= -1.73 (180deg=-2.54!) USER MOD Set 2.1: A 78 SER OG : rot -151:sc= 2.13 USER MOD Set 2.2: B 78 SER OG : rot 83:sc= 0.0505 USER MOD Set 3.1: B 57 MET CE :methyl -136:sc= -2.28 (180deg=-5.79!) USER MOD Set 3.2: B 68 CYS SG : rot 140:sc= -0.414 USER MOD Set 4.1: B 37 ASN :FLIP amide:sc= 0.137 F(o=-2.8,f=-1.2) USER MOD Set 4.2: B 38 ASN :FLIP amide:sc= -1.35 F(o=-4.9!,f=-1.2) USER MOD Set 5.1: A 81 THR OG1 : rot 78:sc= 0.505 USER MOD Set 5.2: B 7 MET CE :methyl 160:sc= -0.303 (180deg=-1.23) USER MOD Set 6.1: A 79 MET CE :methyl 160:sc= -0.157 (180deg=-1.77) USER MOD Set 6.2: X 111 LYS NZ :NH3+ -102:sc= -1.41 (180deg=-2.17!) USER MOD Set 7.1: A 57 MET CE :methyl -136:sc= -2.31 (180deg=-5.7!) USER MOD Set 7.2: A 68 CYS SG : rot 140:sc= -0.398 USER MOD Set 8.1: A 37 ASN :FLIP amide:sc= 0.178 F(o=-2.7,f=-1.1) USER MOD Set 8.2: A 38 ASN :FLIP amide:sc= -1.31 F(o=-4.8!,f=-1.1) USER MOD Set 9.1: A 7 MET CE :methyl 158:sc= -0.159 (180deg=-1.1) USER MOD Set 9.2: B 81 THR OG1 : rot 77:sc= 0.524 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -135:sc= -0.0126 (180deg=-0.904) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= -1.68 (180deg=-2.8) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.858! F(o=-2,f=-0.86!) USER MOD Single : A 17 TYR OH : rot -15:sc= -0.239 USER MOD Single : A 18 SER OG : rot -158:sc= -0.263! USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.125 (180deg=-0.792) USER MOD Single : A 25 HIS : no HD1:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= -0.853 (180deg=-2.54!) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -0.919 (180deg=-2.61!) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0124 (180deg=-0.25) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.85) USER MOD Single : A 41 SER OG : rot 180:sc= -0.102 USER MOD Single : A 42 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.036) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.325 (180deg=-0.78) USER MOD Single : A 50 GLN :FLIP amide:sc= -3.91! C(o=-4.4!,f=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -0.116 (180deg=-0.742) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.9!) USER MOD Single : A 74 MET CE :methyl -158:sc= -1.53 (180deg=-4.39!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.789 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -137:sc= -0.0384 (180deg=-0.92) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -1.58 (180deg=-2.73) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : B 16 GLN :FLIP amide:sc= -0.771! F(o=-1.9,f=-0.77!) USER MOD Single : B 17 TYR OH : rot 0:sc= -0.241 USER MOD Single : B 18 SER OG : rot -155:sc= -0.181! USER MOD Single : B 24 LYS NZ :NH3+ -151:sc= -0.165 (180deg=-0.853) USER MOD Single : B 25 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : B 26 LYS NZ :NH3+ -133:sc= -0.749 (180deg=-2.14!) USER MOD Single : B 28 LYS NZ :NH3+ -134:sc= -0.995 (180deg=-2.82!) USER MOD Single : B 29 LYS NZ :NH3+ -168:sc=-0.00227 (180deg=-0.16) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.747) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0835 USER MOD Single : B 42 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.067) USER MOD Single : B 48 LYS NZ :NH3+ -152:sc= -0.103 (180deg=-0.904) USER MOD Single : B 50 GLN :FLIP amide:sc= -3.88! C(o=-4.5!,f=-3.9!) USER MOD Single : B 55 LYS NZ :NH3+ 154:sc= -0.134 (180deg=-0.76) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.8!) USER MOD Single : B 74 MET CE :methyl -153:sc= -1.61 (180deg=-4.37!) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : B 84 CYS SG : rot 180:sc= -0.741 USER MOD Single : B 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : X 105 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-11!) USER MOD Single : X 106 LYS NZ :NH3+ -160:sc= -0.0134 (180deg=-0.29) USER MOD Single : X 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 112 THR OG1 : rot -40:sc= 0.53 USER MOD Single : Y 105 HIS : no HE2:sc= -3.51! C(o=-3.5!,f=-11!) USER MOD Single : Y 106 LYS NZ :NH3+ -159:sc= -0.0387 (180deg=-0.376) USER MOD Single : Y 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0325) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 112 THR OG1 : rot -43:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.544 -4.829 -13.935 1.00 0.00 N ATOM 2 CA MET A 0 1.076 -3.612 -14.610 1.00 0.00 C ATOM 3 C MET A 0 -0.061 -2.615 -14.837 1.00 0.00 C ATOM 4 O MET A 0 -1.208 -2.891 -14.547 1.00 0.00 O ATOM 5 CB MET A 0 1.691 -4.003 -15.955 1.00 0.00 C ATOM 6 CG MET A 0 2.865 -4.955 -15.721 1.00 0.00 C ATOM 7 SD MET A 0 4.233 -4.045 -14.960 1.00 0.00 S ATOM 8 CE MET A 0 4.872 -5.393 -13.935 1.00 0.00 C ATOM 0 H1 MET A 0 1.183 -5.104 -13.162 1.00 0.00 H new ATOM 0 H2 MET A 0 -0.400 -4.627 -13.549 1.00 0.00 H new ATOM 0 H3 MET A 0 0.478 -5.606 -14.623 1.00 0.00 H new ATOM 0 HA MET A 0 1.839 -3.153 -13.982 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.941 -4.481 -16.585 1.00 0.00 H new ATOM 0 HB3 MET A 0 2.031 -3.113 -16.484 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.557 -5.778 -15.076 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.186 -5.394 -16.666 1.00 0.00 H new ATOM 0 HE1 MET A 0 5.736 -5.042 -13.370 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.096 -5.724 -13.244 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.169 -6.226 -14.573 1.00 0.00 H new ATOM 20 N SER A 1 0.246 -1.454 -15.350 1.00 0.00 N ATOM 21 CA SER A 1 -0.825 -0.444 -15.588 1.00 0.00 C ATOM 22 C SER A 1 -1.555 -0.158 -14.271 1.00 0.00 C ATOM 23 O SER A 1 -2.727 0.162 -14.253 1.00 0.00 O ATOM 24 CB SER A 1 -1.818 -0.980 -16.627 1.00 0.00 C ATOM 25 OG SER A 1 -1.108 -1.685 -17.637 1.00 0.00 O ATOM 0 H SER A 1 1.187 -1.162 -15.613 1.00 0.00 H new ATOM 0 HA SER A 1 -0.380 0.478 -15.963 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.542 -1.639 -16.148 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.379 -0.157 -17.069 1.00 0.00 H new ATOM 0 HG SER A 1 -1.741 -2.030 -18.301 1.00 0.00 H new ATOM 31 N GLU A 2 -0.864 -0.265 -13.169 1.00 0.00 N ATOM 32 CA GLU A 2 -1.504 0.007 -11.848 1.00 0.00 C ATOM 33 C GLU A 2 -1.677 1.511 -11.685 1.00 0.00 C ATOM 34 O GLU A 2 -2.067 1.998 -10.643 1.00 0.00 O ATOM 35 CB GLU A 2 -0.614 -0.520 -10.725 1.00 0.00 C ATOM 36 CG GLU A 2 -0.518 -2.037 -10.834 1.00 0.00 C ATOM 37 CD GLU A 2 0.372 -2.574 -9.711 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.995 -1.768 -9.039 1.00 0.00 O ATOM 39 OE2 GLU A 2 0.418 -3.782 -9.544 1.00 0.00 O ATOM 0 H GLU A 2 0.120 -0.530 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.473 -0.490 -11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.379 -0.075 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.025 -0.238 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.512 -2.481 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.107 -2.317 -11.804 1.00 0.00 H new ATOM 46 N LEU A 3 -1.365 2.248 -12.707 1.00 0.00 N ATOM 47 CA LEU A 3 -1.474 3.727 -12.629 1.00 0.00 C ATOM 48 C LEU A 3 -2.824 4.119 -12.031 1.00 0.00 C ATOM 49 O LEU A 3 -2.994 5.204 -11.525 1.00 0.00 O ATOM 50 CB LEU A 3 -1.349 4.304 -14.041 1.00 0.00 C ATOM 51 CG LEU A 3 -1.250 5.832 -13.989 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.054 6.261 -13.289 1.00 0.00 C ATOM 53 CD2 LEU A 3 -1.271 6.376 -15.423 1.00 0.00 C ATOM 0 H LEU A 3 -1.036 1.887 -13.602 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.681 4.121 -11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.467 3.893 -14.531 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.212 4.010 -14.638 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.092 6.232 -13.424 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.110 7.349 -13.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.067 5.869 -12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.909 5.868 -13.840 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.201 7.464 -15.401 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.426 5.969 -15.979 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.201 6.082 -15.910 1.00 0.00 H new ATOM 65 N GLU A 4 -3.784 3.246 -12.079 1.00 0.00 N ATOM 66 CA GLU A 4 -5.117 3.582 -11.500 1.00 0.00 C ATOM 67 C GLU A 4 -5.011 3.642 -9.976 1.00 0.00 C ATOM 68 O GLU A 4 -5.602 4.487 -9.332 1.00 0.00 O ATOM 69 CB GLU A 4 -6.130 2.502 -11.895 1.00 0.00 C ATOM 70 CG GLU A 4 -6.403 2.579 -13.397 1.00 0.00 C ATOM 71 CD GLU A 4 -7.326 1.430 -13.811 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.828 0.328 -13.974 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.512 1.672 -13.958 1.00 0.00 O ATOM 0 H GLU A 4 -3.709 2.316 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.445 4.549 -11.881 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.745 1.516 -11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.058 2.639 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.863 3.536 -13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.466 2.523 -13.951 1.00 0.00 H new ATOM 80 N LYS A 5 -4.272 2.741 -9.398 1.00 0.00 N ATOM 81 CA LYS A 5 -4.127 2.722 -7.914 1.00 0.00 C ATOM 82 C LYS A 5 -3.232 3.872 -7.460 1.00 0.00 C ATOM 83 O LYS A 5 -3.462 4.475 -6.437 1.00 0.00 O ATOM 84 CB LYS A 5 -3.517 1.378 -7.465 1.00 0.00 C ATOM 85 CG LYS A 5 -4.623 0.329 -7.273 1.00 0.00 C ATOM 86 CD LYS A 5 -5.356 0.058 -8.596 1.00 0.00 C ATOM 87 CE LYS A 5 -4.382 -0.476 -9.655 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.394 -1.388 -9.014 1.00 0.00 N ATOM 0 H LYS A 5 -3.758 2.011 -9.891 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.112 2.839 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.801 1.029 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.968 1.513 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.190 -0.597 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.334 0.677 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.156 -0.664 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.823 0.976 -8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.931 -1.007 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.866 0.353 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.040 -2.067 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.599 -0.831 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.852 -1.904 -8.236 1.00 0.00 H new ATOM 102 N ALA A 6 -2.192 4.146 -8.187 1.00 0.00 N ATOM 103 CA ALA A 6 -1.262 5.228 -7.768 1.00 0.00 C ATOM 104 C ALA A 6 -1.940 6.598 -7.822 1.00 0.00 C ATOM 105 O ALA A 6 -1.784 7.405 -6.930 1.00 0.00 O ATOM 106 CB ALA A 6 -0.035 5.211 -8.686 1.00 0.00 C ATOM 0 H ALA A 6 -1.943 3.669 -9.054 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.960 5.051 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.654 6.001 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.464 4.245 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.349 5.374 -9.717 1.00 0.00 H new ATOM 112 N MET A 7 -2.683 6.874 -8.850 1.00 0.00 N ATOM 113 CA MET A 7 -3.349 8.205 -8.936 1.00 0.00 C ATOM 114 C MET A 7 -4.350 8.351 -7.794 1.00 0.00 C ATOM 115 O MET A 7 -4.489 9.402 -7.191 1.00 0.00 O ATOM 116 CB MET A 7 -4.088 8.328 -10.273 1.00 0.00 C ATOM 117 CG MET A 7 -3.081 8.437 -11.420 1.00 0.00 C ATOM 118 SD MET A 7 -3.967 8.806 -12.956 1.00 0.00 S ATOM 119 CE MET A 7 -2.560 9.454 -13.891 1.00 0.00 C ATOM 0 H MET A 7 -2.860 6.243 -9.632 1.00 0.00 H new ATOM 0 HA MET A 7 -2.594 8.988 -8.864 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.731 7.461 -10.424 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.734 9.206 -10.261 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.354 9.221 -11.208 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.525 7.505 -11.522 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.768 9.381 -14.959 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.395 10.498 -13.624 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.668 8.874 -13.655 1.00 0.00 H new ATOM 129 N VAL A 8 -5.048 7.300 -7.499 1.00 0.00 N ATOM 130 CA VAL A 8 -6.056 7.354 -6.405 1.00 0.00 C ATOM 131 C VAL A 8 -5.357 7.593 -5.066 1.00 0.00 C ATOM 132 O VAL A 8 -5.867 8.273 -4.203 1.00 0.00 O ATOM 133 CB VAL A 8 -6.832 6.034 -6.350 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.724 6.009 -5.101 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.701 5.905 -7.603 1.00 0.00 C ATOM 0 H VAL A 8 -4.967 6.398 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.749 8.172 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.129 5.202 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.274 5.069 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.104 6.100 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.428 6.840 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.254 4.967 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.402 6.738 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.066 5.918 -8.489 1.00 0.00 H new ATOM 145 N ALA A 9 -4.213 7.003 -4.881 1.00 0.00 N ATOM 146 CA ALA A 9 -3.486 7.149 -3.586 1.00 0.00 C ATOM 147 C ALA A 9 -2.991 8.579 -3.386 1.00 0.00 C ATOM 148 O ALA A 9 -2.960 9.072 -2.278 1.00 0.00 O ATOM 149 CB ALA A 9 -2.298 6.199 -3.555 1.00 0.00 C ATOM 0 H ALA A 9 -3.744 6.421 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.180 6.908 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.769 6.308 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.650 5.173 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.622 6.435 -4.377 1.00 0.00 H new ATOM 155 N LEU A 10 -2.595 9.257 -4.425 1.00 0.00 N ATOM 156 CA LEU A 10 -2.107 10.649 -4.221 1.00 0.00 C ATOM 157 C LEU A 10 -3.242 11.452 -3.607 1.00 0.00 C ATOM 158 O LEU A 10 -3.049 12.271 -2.731 1.00 0.00 O ATOM 159 CB LEU A 10 -1.728 11.294 -5.559 1.00 0.00 C ATOM 160 CG LEU A 10 -0.596 10.515 -6.235 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.244 11.206 -7.558 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.640 10.473 -5.317 1.00 0.00 C ATOM 0 H LEU A 10 -2.587 8.918 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.228 10.634 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.599 11.322 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.419 12.326 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.918 9.491 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.562 10.661 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.121 11.220 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.078 12.228 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.439 9.917 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.977 11.489 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.380 9.983 -4.379 1.00 0.00 H new ATOM 174 N ILE A 11 -4.429 11.215 -4.073 1.00 0.00 N ATOM 175 CA ILE A 11 -5.607 11.947 -3.545 1.00 0.00 C ATOM 176 C ILE A 11 -5.920 11.513 -2.100 1.00 0.00 C ATOM 177 O ILE A 11 -6.296 12.321 -1.280 1.00 0.00 O ATOM 178 CB ILE A 11 -6.806 11.684 -4.465 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.558 12.388 -5.805 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.081 12.242 -3.829 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.576 11.926 -6.852 1.00 0.00 C ATOM 0 H ILE A 11 -4.637 10.537 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.391 13.015 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.925 10.611 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.628 13.468 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.547 12.174 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.929 12.052 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.251 11.756 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.972 13.316 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.384 12.436 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.486 10.849 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.583 12.163 -6.510 1.00 0.00 H new ATOM 193 N ASP A 12 -5.812 10.246 -1.789 1.00 0.00 N ATOM 194 CA ASP A 12 -6.152 9.783 -0.404 1.00 0.00 C ATOM 195 C ASP A 12 -5.257 10.446 0.657 1.00 0.00 C ATOM 196 O ASP A 12 -5.729 10.882 1.688 1.00 0.00 O ATOM 197 CB ASP A 12 -5.976 8.265 -0.331 1.00 0.00 C ATOM 198 CG ASP A 12 -7.071 7.582 -1.153 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.110 8.193 -1.344 1.00 0.00 O ATOM 200 OD2 ASP A 12 -6.852 6.461 -1.580 1.00 0.00 O ATOM 0 H ASP A 12 -5.505 9.513 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.184 10.065 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.994 7.984 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.025 7.932 0.706 1.00 0.00 H new ATOM 205 N VAL A 13 -3.975 10.512 0.428 1.00 0.00 N ATOM 206 CA VAL A 13 -3.061 11.133 1.441 1.00 0.00 C ATOM 207 C VAL A 13 -3.300 12.651 1.495 1.00 0.00 C ATOM 208 O VAL A 13 -3.294 13.255 2.551 1.00 0.00 O ATOM 209 CB VAL A 13 -1.583 10.774 1.085 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.731 12.025 0.828 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.941 9.981 2.234 1.00 0.00 C ATOM 0 H VAL A 13 -3.516 10.165 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.268 10.740 2.436 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.613 10.178 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.289 11.727 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.153 12.588 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.723 12.649 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.089 9.736 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.954 10.583 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.502 9.061 2.400 1.00 0.00 H new ATOM 221 N PHE A 14 -3.504 13.271 0.369 1.00 0.00 N ATOM 222 CA PHE A 14 -3.732 14.741 0.367 1.00 0.00 C ATOM 223 C PHE A 14 -4.958 15.065 1.219 1.00 0.00 C ATOM 224 O PHE A 14 -4.977 16.036 1.930 1.00 0.00 O ATOM 225 CB PHE A 14 -3.960 15.224 -1.076 1.00 0.00 C ATOM 226 CG PHE A 14 -4.546 16.623 -1.074 1.00 0.00 C ATOM 227 CD1 PHE A 14 -5.936 16.787 -1.024 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.711 17.746 -1.115 1.00 0.00 C ATOM 229 CE1 PHE A 14 -6.491 18.072 -1.014 1.00 0.00 C ATOM 230 CE2 PHE A 14 -4.268 19.031 -1.106 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.657 19.194 -1.055 1.00 0.00 C ATOM 0 H PHE A 14 -3.523 12.825 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.860 15.247 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.017 15.218 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.633 14.541 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.580 15.921 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.639 17.622 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.563 18.197 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.624 19.898 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.085 20.186 -1.047 1.00 0.00 H new ATOM 241 N HIS A 15 -5.980 14.273 1.139 1.00 0.00 N ATOM 242 CA HIS A 15 -7.204 14.549 1.939 1.00 0.00 C ATOM 243 C HIS A 15 -6.891 14.432 3.431 1.00 0.00 C ATOM 244 O HIS A 15 -7.494 15.090 4.256 1.00 0.00 O ATOM 245 CB HIS A 15 -8.291 13.540 1.556 1.00 0.00 C ATOM 246 CG HIS A 15 -9.569 13.866 2.279 1.00 0.00 C ATOM 247 ND1 HIS A 15 -10.292 15.023 2.021 1.00 0.00 N ATOM 248 CD2 HIS A 15 -10.273 13.191 3.247 1.00 0.00 C ATOM 249 CE1 HIS A 15 -11.378 15.009 2.817 1.00 0.00 C ATOM 250 NE2 HIS A 15 -11.411 13.916 3.582 1.00 0.00 N ATOM 0 H HIS A 15 -6.025 13.440 0.552 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.553 15.561 1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.457 13.562 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.967 12.530 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.987 12.244 3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.129 15.785 2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.122 13.665 4.269 1.00 0.00 H new ATOM 259 N GLN A 16 -5.971 13.583 3.785 1.00 0.00 N ATOM 260 CA GLN A 16 -5.635 13.398 5.222 1.00 0.00 C ATOM 261 C GLN A 16 -5.146 14.717 5.839 1.00 0.00 C ATOM 262 O GLN A 16 -5.474 15.039 6.964 1.00 0.00 O ATOM 263 CB GLN A 16 -4.528 12.341 5.321 1.00 0.00 C ATOM 264 CG GLN A 16 -4.170 12.067 6.783 1.00 0.00 C ATOM 265 CD GLN A 16 -5.396 11.530 7.524 1.00 0.00 C ATOM 266 OE1 GLN A 16 -5.823 12.149 8.589 1.00 0.00 O flip ATOM 267 NE2 GLN A 16 -5.972 10.536 7.127 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.434 13.006 3.138 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.523 13.078 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.856 11.418 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.644 12.682 4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.355 11.345 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.818 12.982 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.638 10.052 6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.789 10.186 7.627 1.00 0.00 H new ATOM 276 N TYR A 17 -4.339 15.467 5.136 1.00 0.00 N ATOM 277 CA TYR A 17 -3.803 16.745 5.714 1.00 0.00 C ATOM 278 C TYR A 17 -4.678 17.960 5.376 1.00 0.00 C ATOM 279 O TYR A 17 -4.800 18.878 6.163 1.00 0.00 O ATOM 280 CB TYR A 17 -2.396 16.962 5.155 1.00 0.00 C ATOM 281 CG TYR A 17 -1.443 16.071 5.903 1.00 0.00 C ATOM 282 CD1 TYR A 17 -1.346 14.718 5.577 1.00 0.00 C ATOM 283 CD2 TYR A 17 -0.680 16.601 6.940 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.475 13.892 6.290 1.00 0.00 C ATOM 285 CE2 TYR A 17 0.188 15.781 7.659 1.00 0.00 C ATOM 286 CZ TYR A 17 0.293 14.424 7.336 1.00 0.00 C ATOM 287 OH TYR A 17 1.152 13.610 8.047 1.00 0.00 O ATOM 0 H TYR A 17 -4.026 15.255 4.189 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.795 16.653 6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.372 16.733 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.102 18.006 5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.943 14.310 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.761 17.649 7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.393 12.845 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.779 16.193 8.464 1.00 0.00 H new ATOM 0 HH TYR A 17 0.936 12.671 7.868 1.00 0.00 H new ATOM 297 N SER A 18 -5.250 17.999 4.216 1.00 0.00 N ATOM 298 CA SER A 18 -6.071 19.182 3.833 1.00 0.00 C ATOM 299 C SER A 18 -7.234 19.366 4.807 1.00 0.00 C ATOM 300 O SER A 18 -7.568 20.473 5.184 1.00 0.00 O ATOM 301 CB SER A 18 -6.617 18.971 2.425 1.00 0.00 C ATOM 302 OG SER A 18 -5.528 18.858 1.520 1.00 0.00 O ATOM 0 H SER A 18 -5.189 17.265 3.510 1.00 0.00 H new ATOM 0 HA SER A 18 -5.446 20.075 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.231 18.071 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.258 19.805 2.141 1.00 0.00 H new ATOM 0 HG SER A 18 -5.831 19.077 0.614 1.00 0.00 H new ATOM 308 N GLY A 19 -7.856 18.297 5.214 1.00 0.00 N ATOM 309 CA GLY A 19 -9.003 18.416 6.163 1.00 0.00 C ATOM 310 C GLY A 19 -8.493 18.497 7.604 1.00 0.00 C ATOM 311 O GLY A 19 -9.231 18.825 8.512 1.00 0.00 O ATOM 0 H GLY A 19 -7.622 17.345 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.589 19.304 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.666 17.558 6.052 1.00 0.00 H new ATOM 315 N ARG A 20 -7.247 18.183 7.829 1.00 0.00 N ATOM 316 CA ARG A 20 -6.711 18.226 9.220 1.00 0.00 C ATOM 317 C ARG A 20 -6.824 19.641 9.794 1.00 0.00 C ATOM 318 O ARG A 20 -7.247 19.831 10.917 1.00 0.00 O ATOM 319 CB ARG A 20 -5.240 17.788 9.219 1.00 0.00 C ATOM 320 CG ARG A 20 -4.702 17.682 10.672 1.00 0.00 C ATOM 321 CD ARG A 20 -3.869 18.920 11.033 1.00 0.00 C ATOM 322 NE ARG A 20 -3.373 18.789 12.433 1.00 0.00 N ATOM 323 CZ ARG A 20 -2.412 19.561 12.863 1.00 0.00 C ATOM 324 NH1 ARG A 20 -1.891 20.459 12.072 1.00 0.00 N ATOM 325 NH2 ARG A 20 -1.973 19.436 14.086 1.00 0.00 N ATOM 0 H ARG A 20 -6.578 17.899 7.113 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.295 17.547 9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.142 16.825 8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.642 18.504 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.535 17.583 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.092 16.784 10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.029 19.021 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.473 19.821 10.932 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.785 18.095 13.056 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.235 20.558 11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.140 21.062 12.409 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.381 18.735 14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.222 20.039 14.422 1.00 0.00 H new ATOM 339 N GLU A 21 -6.436 20.637 9.042 1.00 0.00 N ATOM 340 CA GLU A 21 -6.507 22.038 9.557 1.00 0.00 C ATOM 341 C GLU A 21 -7.864 22.663 9.219 1.00 0.00 C ATOM 342 O GLU A 21 -8.727 22.776 10.066 1.00 0.00 O ATOM 343 CB GLU A 21 -5.386 22.868 8.931 1.00 0.00 C ATOM 344 CG GLU A 21 -5.366 24.257 9.570 1.00 0.00 C ATOM 345 CD GLU A 21 -4.114 25.009 9.115 1.00 0.00 C ATOM 346 OE1 GLU A 21 -4.135 25.544 8.020 1.00 0.00 O ATOM 347 OE2 GLU A 21 -3.157 25.038 9.871 1.00 0.00 O ATOM 0 H GLU A 21 -6.073 20.542 8.094 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.390 22.023 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.426 22.373 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.538 22.953 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.260 24.812 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.376 24.170 10.656 1.00 0.00 H new ATOM 354 N GLY A 22 -8.064 23.084 7.995 1.00 0.00 N ATOM 355 CA GLY A 22 -9.372 23.708 7.643 1.00 0.00 C ATOM 356 C GLY A 22 -9.476 23.938 6.131 1.00 0.00 C ATOM 357 O GLY A 22 -10.554 23.912 5.571 1.00 0.00 O ATOM 0 H GLY A 22 -7.387 23.023 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.188 23.065 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.480 24.657 8.168 1.00 0.00 H new ATOM 361 N ASP A 23 -8.378 24.163 5.459 1.00 0.00 N ATOM 362 CA ASP A 23 -8.454 24.391 3.986 1.00 0.00 C ATOM 363 C ASP A 23 -8.533 23.033 3.282 1.00 0.00 C ATOM 364 O ASP A 23 -7.536 22.381 3.046 1.00 0.00 O ATOM 365 CB ASP A 23 -7.206 25.144 3.526 1.00 0.00 C ATOM 366 CG ASP A 23 -7.230 26.567 4.087 1.00 0.00 C ATOM 367 OD1 ASP A 23 -8.315 27.072 4.325 1.00 0.00 O ATOM 368 OD2 ASP A 23 -6.162 27.128 4.269 1.00 0.00 O ATOM 0 H ASP A 23 -7.441 24.199 5.861 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.336 24.982 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.310 24.624 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.166 25.172 2.437 1.00 0.00 H new ATOM 373 N LYS A 24 -9.719 22.592 2.969 1.00 0.00 N ATOM 374 CA LYS A 24 -9.881 21.262 2.312 1.00 0.00 C ATOM 375 C LYS A 24 -9.355 21.286 0.871 1.00 0.00 C ATOM 376 O LYS A 24 -8.763 20.331 0.408 1.00 0.00 O ATOM 377 CB LYS A 24 -11.367 20.899 2.283 1.00 0.00 C ATOM 378 CG LYS A 24 -11.851 20.599 3.708 1.00 0.00 C ATOM 379 CD LYS A 24 -13.292 20.060 3.683 1.00 0.00 C ATOM 380 CE LYS A 24 -14.296 21.212 3.543 1.00 0.00 C ATOM 381 NZ LYS A 24 -14.236 22.078 4.755 1.00 0.00 N ATOM 0 H LYS A 24 -10.588 23.097 3.140 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.311 20.527 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.944 21.720 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.527 20.031 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.191 19.869 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.805 21.505 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.411 19.363 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.494 19.503 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.070 21.799 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.304 20.816 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.118 22.623 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.116 21.484 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.432 22.732 4.675 1.00 0.00 H new ATOM 395 N HIS A 25 -9.595 22.349 0.144 1.00 0.00 N ATOM 396 CA HIS A 25 -9.141 22.408 -1.285 1.00 0.00 C ATOM 397 C HIS A 25 -7.843 23.204 -1.429 1.00 0.00 C ATOM 398 O HIS A 25 -7.390 23.449 -2.529 1.00 0.00 O ATOM 399 CB HIS A 25 -10.225 23.086 -2.125 1.00 0.00 C ATOM 400 CG HIS A 25 -11.445 22.210 -2.174 1.00 0.00 C ATOM 401 ND1 HIS A 25 -12.727 22.719 -2.022 1.00 0.00 N ATOM 402 CD2 HIS A 25 -11.596 20.858 -2.356 1.00 0.00 C ATOM 403 CE1 HIS A 25 -13.586 21.686 -2.114 1.00 0.00 C ATOM 404 NE2 HIS A 25 -12.946 20.533 -2.317 1.00 0.00 N ATOM 0 H HIS A 25 -10.085 23.180 0.476 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.962 21.388 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.478 24.056 -1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.856 23.270 -3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.790 20.155 -2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -14.659 21.779 -2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -13.361 19.607 -2.422 1.00 0.00 H new ATOM 413 N LYS A 26 -7.238 23.626 -0.349 1.00 0.00 N ATOM 414 CA LYS A 26 -5.974 24.417 -0.479 1.00 0.00 C ATOM 415 C LYS A 26 -5.034 24.122 0.691 1.00 0.00 C ATOM 416 O LYS A 26 -5.450 23.811 1.790 1.00 0.00 O ATOM 417 CB LYS A 26 -6.324 25.908 -0.526 1.00 0.00 C ATOM 418 CG LYS A 26 -5.047 26.740 -0.681 1.00 0.00 C ATOM 419 CD LYS A 26 -5.406 28.140 -1.192 1.00 0.00 C ATOM 420 CE LYS A 26 -6.332 28.837 -0.192 1.00 0.00 C ATOM 421 NZ LYS A 26 -6.329 30.303 -0.458 1.00 0.00 N ATOM 0 H LYS A 26 -7.557 23.461 0.606 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.461 24.135 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.000 26.105 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.848 26.196 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.529 26.812 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.365 26.252 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.500 28.729 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.894 28.068 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.344 28.442 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.000 28.640 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.156 30.817 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.578 30.530 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.250 30.587 -0.849 1.00 0.00 H new ATOM 435 N LEU A 27 -3.757 24.207 0.435 1.00 0.00 N ATOM 436 CA LEU A 27 -2.725 23.934 1.481 1.00 0.00 C ATOM 437 C LEU A 27 -1.903 25.199 1.738 1.00 0.00 C ATOM 438 O LEU A 27 -1.504 25.885 0.820 1.00 0.00 O ATOM 439 CB LEU A 27 -1.779 22.835 0.975 1.00 0.00 C ATOM 440 CG LEU A 27 -2.442 21.454 1.094 1.00 0.00 C ATOM 441 CD1 LEU A 27 -1.561 20.424 0.378 1.00 0.00 C ATOM 442 CD2 LEU A 27 -2.603 21.057 2.580 1.00 0.00 C ATOM 0 H LEU A 27 -3.375 24.460 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.219 23.620 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.512 23.028 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.853 22.851 1.551 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.431 21.487 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.019 19.438 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.461 20.698 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.575 20.403 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.074 20.076 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.623 21.021 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.226 21.793 3.088 1.00 0.00 H new ATOM 454 N LYS A 28 -1.620 25.493 2.981 1.00 0.00 N ATOM 455 CA LYS A 28 -0.792 26.690 3.309 1.00 0.00 C ATOM 456 C LYS A 28 0.618 26.202 3.625 1.00 0.00 C ATOM 457 O LYS A 28 0.803 25.068 4.022 1.00 0.00 O ATOM 458 CB LYS A 28 -1.372 27.397 4.536 1.00 0.00 C ATOM 459 CG LYS A 28 -2.706 28.041 4.163 1.00 0.00 C ATOM 460 CD LYS A 28 -3.277 28.800 5.370 1.00 0.00 C ATOM 461 CE LYS A 28 -3.649 27.822 6.500 1.00 0.00 C ATOM 462 NZ LYS A 28 -2.487 27.663 7.419 1.00 0.00 N ATOM 0 H LYS A 28 -1.930 24.951 3.788 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.782 27.389 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.514 26.684 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.677 28.155 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.568 28.724 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.411 27.276 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.544 29.521 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.158 29.366 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.513 28.196 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.931 26.856 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.333 26.653 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.636 28.065 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.680 28.160 8.312 1.00 0.00 H new ATOM 476 N LYS A 29 1.619 27.028 3.469 1.00 0.00 N ATOM 477 CA LYS A 29 2.999 26.569 3.786 1.00 0.00 C ATOM 478 C LYS A 29 2.971 25.937 5.172 1.00 0.00 C ATOM 479 O LYS A 29 3.800 25.125 5.530 1.00 0.00 O ATOM 480 CB LYS A 29 3.966 27.760 3.769 1.00 0.00 C ATOM 481 CG LYS A 29 3.664 28.724 4.924 1.00 0.00 C ATOM 482 CD LYS A 29 4.566 29.953 4.792 1.00 0.00 C ATOM 483 CE LYS A 29 4.373 30.870 6.002 1.00 0.00 C ATOM 484 NZ LYS A 29 2.983 31.410 6.004 1.00 0.00 N ATOM 0 H LYS A 29 1.541 27.990 3.139 1.00 0.00 H new ATOM 0 HA LYS A 29 3.340 25.845 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.992 27.402 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.884 28.287 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.616 29.022 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.836 28.231 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.609 29.644 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.330 30.492 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.561 30.318 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.092 31.689 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.916 32.193 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.744 31.757 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.318 30.657 6.275 1.00 0.00 H new ATOM 498 N SER A 30 1.992 26.312 5.941 1.00 0.00 N ATOM 499 CA SER A 30 1.853 25.746 7.314 1.00 0.00 C ATOM 500 C SER A 30 1.302 24.320 7.224 1.00 0.00 C ATOM 501 O SER A 30 1.854 23.398 7.791 1.00 0.00 O ATOM 502 CB SER A 30 0.892 26.608 8.133 1.00 0.00 C ATOM 503 OG SER A 30 1.434 27.914 8.271 1.00 0.00 O ATOM 0 H SER A 30 1.276 26.990 5.679 1.00 0.00 H new ATOM 0 HA SER A 30 2.830 25.733 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.080 26.655 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.732 26.162 9.115 1.00 0.00 H new ATOM 0 HG SER A 30 0.819 28.470 8.794 1.00 0.00 H new ATOM 509 N GLU A 31 0.225 24.124 6.505 1.00 0.00 N ATOM 510 CA GLU A 31 -0.334 22.753 6.381 1.00 0.00 C ATOM 511 C GLU A 31 0.664 21.902 5.601 1.00 0.00 C ATOM 512 O GLU A 31 0.841 20.732 5.866 1.00 0.00 O ATOM 513 CB GLU A 31 -1.671 22.803 5.641 1.00 0.00 C ATOM 514 CG GLU A 31 -2.706 23.521 6.508 1.00 0.00 C ATOM 515 CD GLU A 31 -4.041 23.571 5.767 1.00 0.00 C ATOM 516 OE1 GLU A 31 -4.709 22.552 5.725 1.00 0.00 O ATOM 517 OE2 GLU A 31 -4.370 24.626 5.250 1.00 0.00 O ATOM 0 H GLU A 31 -0.285 24.851 6.004 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.503 22.322 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.554 23.323 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.010 21.793 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.824 23.001 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.367 24.531 6.737 1.00 0.00 H new ATOM 524 N LEU A 32 1.322 22.496 4.642 1.00 0.00 N ATOM 525 CA LEU A 32 2.324 21.747 3.834 1.00 0.00 C ATOM 526 C LEU A 32 3.424 21.216 4.747 1.00 0.00 C ATOM 527 O LEU A 32 3.896 20.119 4.577 1.00 0.00 O ATOM 528 CB LEU A 32 2.942 22.690 2.795 1.00 0.00 C ATOM 529 CG LEU A 32 4.014 21.957 1.972 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.394 20.760 1.236 1.00 0.00 C ATOM 531 CD2 LEU A 32 4.613 22.936 0.957 1.00 0.00 C ATOM 0 H LEU A 32 1.206 23.476 4.383 1.00 0.00 H new ATOM 0 HA LEU A 32 1.835 20.913 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.164 23.071 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.385 23.551 3.295 1.00 0.00 H new ATOM 0 HG LEU A 32 4.794 21.588 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.164 20.250 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.968 20.068 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.610 21.112 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.375 22.427 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.827 23.302 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.064 23.777 1.485 1.00 0.00 H new ATOM 543 N LYS A 33 3.844 21.989 5.703 1.00 0.00 N ATOM 544 CA LYS A 33 4.925 21.522 6.618 1.00 0.00 C ATOM 545 C LYS A 33 4.474 20.255 7.342 1.00 0.00 C ATOM 546 O LYS A 33 5.244 19.338 7.548 1.00 0.00 O ATOM 547 CB LYS A 33 5.235 22.616 7.644 1.00 0.00 C ATOM 548 CG LYS A 33 6.367 22.155 8.570 1.00 0.00 C ATOM 549 CD LYS A 33 6.670 23.251 9.591 1.00 0.00 C ATOM 550 CE LYS A 33 7.855 22.822 10.458 1.00 0.00 C ATOM 551 NZ LYS A 33 8.108 23.853 11.503 1.00 0.00 N ATOM 0 H LYS A 33 3.488 22.926 5.894 1.00 0.00 H new ATOM 0 HA LYS A 33 5.821 21.305 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.522 23.535 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.343 22.842 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.081 21.236 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.260 21.930 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.898 24.186 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.795 23.434 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.647 21.859 10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.743 22.691 9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.110 24.132 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.513 24.686 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.879 23.462 12.439 1.00 0.00 H new ATOM 565 N GLU A 34 3.240 20.204 7.746 1.00 0.00 N ATOM 566 CA GLU A 34 2.747 19.011 8.473 1.00 0.00 C ATOM 567 C GLU A 34 2.715 17.819 7.507 1.00 0.00 C ATOM 568 O GLU A 34 2.993 16.704 7.875 1.00 0.00 O ATOM 569 CB GLU A 34 1.349 19.309 9.042 1.00 0.00 C ATOM 570 CG GLU A 34 1.093 18.466 10.304 1.00 0.00 C ATOM 571 CD GLU A 34 1.730 19.144 11.521 1.00 0.00 C ATOM 572 OE1 GLU A 34 2.501 20.068 11.324 1.00 0.00 O ATOM 573 OE2 GLU A 34 1.433 18.727 12.629 1.00 0.00 O ATOM 0 H GLU A 34 2.550 20.941 7.603 1.00 0.00 H new ATOM 0 HA GLU A 34 3.408 18.765 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.265 20.369 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.590 19.091 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.021 18.348 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.508 17.466 10.175 1.00 0.00 H new ATOM 580 N LEU A 35 2.389 18.049 6.267 1.00 0.00 N ATOM 581 CA LEU A 35 2.375 16.929 5.281 1.00 0.00 C ATOM 582 C LEU A 35 3.782 16.345 5.194 1.00 0.00 C ATOM 583 O LEU A 35 3.986 15.157 5.258 1.00 0.00 O ATOM 584 CB LEU A 35 1.960 17.486 3.902 1.00 0.00 C ATOM 585 CG LEU A 35 2.006 16.400 2.793 1.00 0.00 C ATOM 586 CD1 LEU A 35 3.460 16.038 2.404 1.00 0.00 C ATOM 587 CD2 LEU A 35 1.263 15.144 3.258 1.00 0.00 C ATOM 0 H LEU A 35 2.132 18.962 5.892 1.00 0.00 H new ATOM 0 HA LEU A 35 1.671 16.155 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.952 17.895 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.621 18.309 3.630 1.00 0.00 H new ATOM 0 HG LEU A 35 1.516 16.809 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.449 15.275 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.970 16.927 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.986 15.656 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.300 14.388 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.735 14.755 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.224 15.394 3.471 1.00 0.00 H new ATOM 599 N ILE A 36 4.748 17.190 5.015 1.00 0.00 N ATOM 600 CA ILE A 36 6.152 16.725 4.869 1.00 0.00 C ATOM 601 C ILE A 36 6.742 16.266 6.208 1.00 0.00 C ATOM 602 O ILE A 36 7.378 15.234 6.292 1.00 0.00 O ATOM 603 CB ILE A 36 6.981 17.894 4.327 1.00 0.00 C ATOM 604 CG1 ILE A 36 6.337 18.420 3.039 1.00 0.00 C ATOM 605 CG2 ILE A 36 8.404 17.430 4.018 1.00 0.00 C ATOM 606 CD1 ILE A 36 7.150 19.599 2.491 1.00 0.00 C ATOM 0 H ILE A 36 4.625 18.201 4.962 1.00 0.00 H new ATOM 0 HA ILE A 36 6.173 15.872 4.191 1.00 0.00 H new ATOM 0 HB ILE A 36 7.014 18.683 5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.288 17.624 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.312 18.735 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.985 18.268 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.870 17.053 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.374 16.637 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.686 19.967 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.176 20.398 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.167 19.271 2.276 1.00 0.00 H new ATOM 618 N ASN A 37 6.597 17.051 7.235 1.00 0.00 N ATOM 619 CA ASN A 37 7.217 16.687 8.545 1.00 0.00 C ATOM 620 C ASN A 37 6.575 15.454 9.191 1.00 0.00 C ATOM 621 O ASN A 37 7.248 14.650 9.805 1.00 0.00 O ATOM 622 CB ASN A 37 7.075 17.871 9.501 1.00 0.00 C ATOM 623 CG ASN A 37 7.799 17.558 10.812 1.00 0.00 C ATOM 624 OD1 ASN A 37 9.103 17.546 10.833 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 7.171 17.323 11.825 1.00 0.00 N flip ATOM 0 H ASN A 37 6.078 17.929 7.229 1.00 0.00 H new ATOM 0 HA ASN A 37 8.262 16.446 8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.493 18.770 9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.021 18.072 9.694 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.151 17.333 11.807 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.664 17.116 12.694 1.00 0.00 H new ATOM 632 N ASN A 38 5.283 15.332 9.117 1.00 0.00 N ATOM 633 CA ASN A 38 4.587 14.183 9.795 1.00 0.00 C ATOM 634 C ASN A 38 4.280 13.017 8.845 1.00 0.00 C ATOM 635 O ASN A 38 4.326 11.872 9.250 1.00 0.00 O ATOM 636 CB ASN A 38 3.279 14.689 10.404 1.00 0.00 C ATOM 637 CG ASN A 38 3.592 15.722 11.489 1.00 0.00 C ATOM 638 OD1 ASN A 38 4.833 15.921 11.846 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 2.701 16.358 12.014 1.00 0.00 N flip ATOM 0 H ASN A 38 4.668 15.975 8.618 1.00 0.00 H new ATOM 0 HA ASN A 38 5.263 13.801 10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.653 15.135 9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.717 13.857 10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.732 16.203 11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.922 17.047 12.733 1.00 0.00 H new ATOM 646 N GLU A 39 3.947 13.261 7.605 1.00 0.00 N ATOM 647 CA GLU A 39 3.628 12.100 6.710 1.00 0.00 C ATOM 648 C GLU A 39 4.933 11.474 6.218 1.00 0.00 C ATOM 649 O GLU A 39 4.935 10.407 5.639 1.00 0.00 O ATOM 650 CB GLU A 39 2.788 12.554 5.501 1.00 0.00 C ATOM 651 CG GLU A 39 2.124 11.339 4.849 1.00 0.00 C ATOM 652 CD GLU A 39 1.310 11.799 3.638 1.00 0.00 C ATOM 653 OE1 GLU A 39 0.275 12.411 3.841 1.00 0.00 O ATOM 654 OE2 GLU A 39 1.742 11.540 2.527 1.00 0.00 O ATOM 0 H GLU A 39 3.882 14.185 7.178 1.00 0.00 H new ATOM 0 HA GLU A 39 3.050 11.369 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.029 13.268 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.422 13.066 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.881 10.618 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.477 10.835 5.567 1.00 0.00 H new ATOM 661 N LEU A 40 6.046 12.128 6.452 1.00 0.00 N ATOM 662 CA LEU A 40 7.366 11.580 6.002 1.00 0.00 C ATOM 663 C LEU A 40 8.380 11.711 7.146 1.00 0.00 C ATOM 664 O LEU A 40 9.436 12.292 6.989 1.00 0.00 O ATOM 665 CB LEU A 40 7.875 12.366 4.772 1.00 0.00 C ATOM 666 CG LEU A 40 6.711 12.773 3.840 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.213 13.787 2.801 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.156 11.538 3.102 1.00 0.00 C ATOM 0 H LEU A 40 6.097 13.023 6.938 1.00 0.00 H new ATOM 0 HA LEU A 40 7.247 10.532 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.407 13.258 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.589 11.756 4.219 1.00 0.00 H new ATOM 0 HG LEU A 40 5.921 13.217 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.391 14.073 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.595 14.672 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.010 13.337 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.337 11.841 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.947 11.085 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.791 10.813 3.829 1.00 0.00 H new ATOM 680 N SER A 41 8.063 11.186 8.296 1.00 0.00 N ATOM 681 CA SER A 41 9.002 11.289 9.449 1.00 0.00 C ATOM 682 C SER A 41 10.323 10.582 9.128 1.00 0.00 C ATOM 683 O SER A 41 11.385 11.057 9.479 1.00 0.00 O ATOM 684 CB SER A 41 8.367 10.632 10.674 1.00 0.00 C ATOM 685 OG SER A 41 8.307 9.226 10.473 1.00 0.00 O ATOM 0 H SER A 41 7.193 10.689 8.488 1.00 0.00 H new ATOM 0 HA SER A 41 9.203 12.342 9.648 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.950 10.859 11.566 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.366 11.031 10.837 1.00 0.00 H new ATOM 0 HG SER A 41 7.902 8.800 11.257 1.00 0.00 H new ATOM 691 N HIS A 42 10.268 9.445 8.475 1.00 0.00 N ATOM 692 CA HIS A 42 11.523 8.694 8.142 1.00 0.00 C ATOM 693 C HIS A 42 11.518 8.286 6.668 1.00 0.00 C ATOM 694 O HIS A 42 12.549 7.988 6.098 1.00 0.00 O ATOM 695 CB HIS A 42 11.594 7.435 9.011 1.00 0.00 C ATOM 696 CG HIS A 42 12.929 6.764 8.825 1.00 0.00 C ATOM 697 ND1 HIS A 42 14.120 7.365 9.213 1.00 0.00 N ATOM 698 CD2 HIS A 42 13.278 5.543 8.302 1.00 0.00 C ATOM 699 CE1 HIS A 42 15.119 6.511 8.920 1.00 0.00 C ATOM 700 NE2 HIS A 42 14.659 5.389 8.364 1.00 0.00 N ATOM 0 H HIS A 42 9.406 9.003 8.157 1.00 0.00 H new ATOM 0 HA HIS A 42 12.385 9.333 8.331 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.451 7.697 10.059 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.791 6.749 8.741 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.587 4.815 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 42 16.163 6.710 9.111 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.205 4.587 8.050 1.00 0.00 H new ATOM 709 N PHE A 43 10.373 8.257 6.044 1.00 0.00 N ATOM 710 CA PHE A 43 10.328 7.853 4.610 1.00 0.00 C ATOM 711 C PHE A 43 11.081 8.881 3.756 1.00 0.00 C ATOM 712 O PHE A 43 11.792 8.526 2.836 1.00 0.00 O ATOM 713 CB PHE A 43 8.868 7.734 4.149 1.00 0.00 C ATOM 714 CG PHE A 43 8.795 7.564 2.640 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.588 6.604 1.987 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.927 8.373 1.888 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.512 6.459 0.597 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.856 8.225 0.498 1.00 0.00 C ATOM 719 CZ PHE A 43 8.648 7.269 -0.147 1.00 0.00 C ATOM 0 H PHE A 43 9.473 8.494 6.461 1.00 0.00 H new ATOM 0 HA PHE A 43 10.811 6.883 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.394 6.884 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.313 8.624 4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.257 5.978 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.313 9.111 2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.122 5.720 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.189 8.850 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.592 7.156 -1.220 1.00 0.00 H new ATOM 729 N LEU A 44 10.937 10.152 4.055 1.00 0.00 N ATOM 730 CA LEU A 44 11.651 11.214 3.267 1.00 0.00 C ATOM 731 C LEU A 44 12.348 12.169 4.242 1.00 0.00 C ATOM 732 O LEU A 44 12.096 12.152 5.430 1.00 0.00 O ATOM 733 CB LEU A 44 10.645 12.004 2.403 1.00 0.00 C ATOM 734 CG LEU A 44 11.360 12.616 1.173 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.393 11.602 0.026 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.623 13.878 0.706 1.00 0.00 C ATOM 0 H LEU A 44 10.353 10.502 4.814 1.00 0.00 H new ATOM 0 HA LEU A 44 12.385 10.746 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.841 11.345 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.187 12.795 2.997 1.00 0.00 H new ATOM 0 HG LEU A 44 12.379 12.876 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.898 12.042 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.931 10.709 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.374 11.332 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.135 14.299 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.600 13.621 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.610 14.611 1.512 1.00 0.00 H new ATOM 748 N GLU A 45 13.225 12.998 3.749 1.00 0.00 N ATOM 749 CA GLU A 45 13.939 13.947 4.643 1.00 0.00 C ATOM 750 C GLU A 45 12.920 14.728 5.472 1.00 0.00 C ATOM 751 O GLU A 45 12.249 15.616 4.983 1.00 0.00 O ATOM 752 CB GLU A 45 14.751 14.922 3.784 1.00 0.00 C ATOM 753 CG GLU A 45 15.515 15.903 4.679 1.00 0.00 C ATOM 754 CD GLU A 45 16.319 16.868 3.805 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.401 16.628 2.612 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.836 17.832 4.344 1.00 0.00 O ATOM 0 H GLU A 45 13.478 13.058 2.763 1.00 0.00 H new ATOM 0 HA GLU A 45 14.604 13.399 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.451 14.370 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.087 15.470 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.818 16.458 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.182 15.359 5.348 1.00 0.00 H new ATOM 763 N GLU A 46 12.810 14.407 6.731 1.00 0.00 N ATOM 764 CA GLU A 46 11.849 15.130 7.608 1.00 0.00 C ATOM 765 C GLU A 46 12.311 16.583 7.751 1.00 0.00 C ATOM 766 O GLU A 46 13.489 16.858 7.864 1.00 0.00 O ATOM 767 CB GLU A 46 11.817 14.447 8.980 1.00 0.00 C ATOM 768 CG GLU A 46 10.817 15.155 9.897 1.00 0.00 C ATOM 769 CD GLU A 46 10.798 14.458 11.259 1.00 0.00 C ATOM 770 OE1 GLU A 46 11.395 13.399 11.368 1.00 0.00 O ATOM 771 OE2 GLU A 46 10.188 14.995 12.169 1.00 0.00 O ATOM 0 H GLU A 46 13.347 13.672 7.191 1.00 0.00 H new ATOM 0 HA GLU A 46 10.848 15.111 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.539 13.399 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.810 14.467 9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.094 16.203 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.822 15.136 9.452 1.00 0.00 H new ATOM 778 N ILE A 47 11.399 17.517 7.736 1.00 0.00 N ATOM 779 CA ILE A 47 11.795 18.952 7.859 1.00 0.00 C ATOM 780 C ILE A 47 12.000 19.295 9.332 1.00 0.00 C ATOM 781 O ILE A 47 11.246 18.876 10.188 1.00 0.00 O ATOM 782 CB ILE A 47 10.698 19.854 7.269 1.00 0.00 C ATOM 783 CG1 ILE A 47 10.370 19.413 5.823 1.00 0.00 C ATOM 784 CG2 ILE A 47 11.158 21.329 7.290 1.00 0.00 C ATOM 785 CD1 ILE A 47 11.387 19.983 4.823 1.00 0.00 C ATOM 0 H ILE A 47 10.397 17.350 7.644 1.00 0.00 H new ATOM 0 HA ILE A 47 12.723 19.116 7.311 1.00 0.00 H new ATOM 0 HB ILE A 47 9.797 19.760 7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.369 18.325 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.368 19.748 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.375 21.960 6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.358 21.633 8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.066 21.435 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.130 19.655 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.369 21.072 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.385 19.627 5.076 1.00 0.00 H new ATOM 797 N LYS A 48 13.033 20.041 9.631 1.00 0.00 N ATOM 798 CA LYS A 48 13.327 20.411 11.049 1.00 0.00 C ATOM 799 C LYS A 48 13.061 21.904 11.269 1.00 0.00 C ATOM 800 O LYS A 48 12.924 22.358 12.388 1.00 0.00 O ATOM 801 CB LYS A 48 14.803 20.093 11.328 1.00 0.00 C ATOM 802 CG LYS A 48 15.187 18.761 10.631 1.00 0.00 C ATOM 803 CD LYS A 48 15.840 19.024 9.265 1.00 0.00 C ATOM 804 CE LYS A 48 16.441 17.721 8.736 1.00 0.00 C ATOM 805 NZ LYS A 48 17.575 17.307 9.611 1.00 0.00 N ATOM 0 H LYS A 48 13.692 20.413 8.947 1.00 0.00 H new ATOM 0 HA LYS A 48 12.685 19.847 11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.435 20.902 10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.973 20.016 12.402 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.874 18.199 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.297 18.145 10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.100 19.409 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.615 19.784 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.681 16.940 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.789 17.857 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.140 16.581 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.174 18.132 9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.203 16.919 10.501 1.00 0.00 H new ATOM 819 N GLU A 49 12.986 22.671 10.209 1.00 0.00 N ATOM 820 CA GLU A 49 12.727 24.141 10.345 1.00 0.00 C ATOM 821 C GLU A 49 11.692 24.585 9.312 1.00 0.00 C ATOM 822 O GLU A 49 11.686 24.129 8.185 1.00 0.00 O ATOM 823 CB GLU A 49 14.028 24.916 10.119 1.00 0.00 C ATOM 824 CG GLU A 49 14.929 24.766 11.342 1.00 0.00 C ATOM 825 CD GLU A 49 16.231 25.538 11.122 1.00 0.00 C ATOM 826 OE1 GLU A 49 16.457 25.977 10.006 1.00 0.00 O ATOM 827 OE2 GLU A 49 16.982 25.677 12.074 1.00 0.00 O ATOM 0 H GLU A 49 13.093 22.341 9.250 1.00 0.00 H new ATOM 0 HA GLU A 49 12.349 24.343 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.537 24.542 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.810 25.969 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.419 25.140 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.145 23.712 11.519 1.00 0.00 H new ATOM 834 N GLN A 50 10.828 25.486 9.684 1.00 0.00 N ATOM 835 CA GLN A 50 9.804 25.981 8.724 1.00 0.00 C ATOM 836 C GLN A 50 10.512 26.730 7.599 1.00 0.00 C ATOM 837 O GLN A 50 9.969 26.920 6.534 1.00 0.00 O ATOM 838 CB GLN A 50 8.839 26.934 9.442 1.00 0.00 C ATOM 839 CG GLN A 50 9.621 28.097 10.075 1.00 0.00 C ATOM 840 CD GLN A 50 9.955 29.148 9.011 1.00 0.00 C ATOM 841 OE1 GLN A 50 9.065 29.453 8.105 1.00 0.00 O flip ATOM 842 NE2 GLN A 50 11.038 29.699 9.005 1.00 0.00 N flip ATOM 0 H GLN A 50 10.787 25.902 10.614 1.00 0.00 H new ATOM 0 HA GLN A 50 9.240 25.141 8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.104 27.321 8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.288 26.394 10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.032 28.550 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.539 27.724 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.735 29.462 9.712 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.251 30.398 8.293 1.00 0.00 H new ATOM 851 N GLU A 51 11.721 27.165 7.839 1.00 0.00 N ATOM 852 CA GLU A 51 12.474 27.913 6.789 1.00 0.00 C ATOM 853 C GLU A 51 12.646 27.037 5.552 1.00 0.00 C ATOM 854 O GLU A 51 12.549 27.506 4.440 1.00 0.00 O ATOM 855 CB GLU A 51 13.844 28.332 7.342 1.00 0.00 C ATOM 856 CG GLU A 51 14.771 27.103 7.482 1.00 0.00 C ATOM 857 CD GLU A 51 15.583 26.899 6.196 1.00 0.00 C ATOM 858 OE1 GLU A 51 15.186 27.430 5.172 1.00 0.00 O ATOM 859 OE2 GLU A 51 16.601 26.230 6.264 1.00 0.00 O ATOM 0 H GLU A 51 12.221 27.034 8.719 1.00 0.00 H new ATOM 0 HA GLU A 51 11.917 28.807 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.301 29.066 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.719 28.813 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.445 27.242 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.177 26.213 7.690 1.00 0.00 H new ATOM 866 N VAL A 52 12.893 25.771 5.727 1.00 0.00 N ATOM 867 CA VAL A 52 13.055 24.884 4.547 1.00 0.00 C ATOM 868 C VAL A 52 11.772 24.928 3.750 1.00 0.00 C ATOM 869 O VAL A 52 11.775 24.928 2.542 1.00 0.00 O ATOM 870 CB VAL A 52 13.311 23.454 5.007 1.00 0.00 C ATOM 871 CG1 VAL A 52 13.498 22.548 3.788 1.00 0.00 C ATOM 872 CG2 VAL A 52 14.564 23.420 5.874 1.00 0.00 C ATOM 0 H VAL A 52 12.989 25.314 6.634 1.00 0.00 H new ATOM 0 HA VAL A 52 13.897 25.217 3.940 1.00 0.00 H new ATOM 0 HB VAL A 52 12.460 23.099 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.681 21.526 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.598 22.575 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.348 22.897 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.750 22.398 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.417 23.775 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.423 24.063 6.743 1.00 0.00 H new ATOM 882 N VAL A 53 10.674 24.953 4.432 1.00 0.00 N ATOM 883 CA VAL A 53 9.365 24.993 3.748 1.00 0.00 C ATOM 884 C VAL A 53 9.197 26.329 3.029 1.00 0.00 C ATOM 885 O VAL A 53 8.549 26.407 2.014 1.00 0.00 O ATOM 886 CB VAL A 53 8.271 24.818 4.785 1.00 0.00 C ATOM 887 CG1 VAL A 53 6.922 24.711 4.087 1.00 0.00 C ATOM 888 CG2 VAL A 53 8.538 23.546 5.586 1.00 0.00 C ATOM 0 H VAL A 53 10.626 24.947 5.451 1.00 0.00 H new ATOM 0 HA VAL A 53 9.305 24.193 3.010 1.00 0.00 H new ATOM 0 HB VAL A 53 8.260 25.676 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.136 24.585 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.736 25.619 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.927 23.852 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.755 23.415 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.546 22.688 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.504 23.626 6.084 1.00 0.00 H new ATOM 898 N ASP A 54 9.761 27.382 3.556 1.00 0.00 N ATOM 899 CA ASP A 54 9.631 28.711 2.896 1.00 0.00 C ATOM 900 C ASP A 54 10.403 28.697 1.573 1.00 0.00 C ATOM 901 O ASP A 54 9.993 29.270 0.584 1.00 0.00 O ATOM 902 CB ASP A 54 10.195 29.801 3.811 1.00 0.00 C ATOM 903 CG ASP A 54 9.897 31.178 3.212 1.00 0.00 C ATOM 904 OD1 ASP A 54 9.584 31.234 2.034 1.00 0.00 O ATOM 905 OD2 ASP A 54 9.988 32.152 3.941 1.00 0.00 O ATOM 0 H ASP A 54 10.307 27.378 4.417 1.00 0.00 H new ATOM 0 HA ASP A 54 8.579 28.919 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.752 29.722 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.271 29.670 3.930 1.00 0.00 H new ATOM 910 N LYS A 55 11.520 28.039 1.560 1.00 0.00 N ATOM 911 CA LYS A 55 12.339 27.956 0.313 1.00 0.00 C ATOM 912 C LYS A 55 11.606 27.076 -0.694 1.00 0.00 C ATOM 913 O LYS A 55 11.548 27.354 -1.881 1.00 0.00 O ATOM 914 CB LYS A 55 13.711 27.351 0.642 1.00 0.00 C ATOM 915 CG LYS A 55 14.554 27.243 -0.633 1.00 0.00 C ATOM 916 CD LYS A 55 15.937 26.685 -0.291 1.00 0.00 C ATOM 917 CE LYS A 55 16.836 26.752 -1.527 1.00 0.00 C ATOM 918 NZ LYS A 55 17.048 28.176 -1.913 1.00 0.00 N ATOM 0 H LYS A 55 11.911 27.548 2.364 1.00 0.00 H new ATOM 0 HA LYS A 55 12.486 28.950 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.225 27.971 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.585 26.365 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.058 26.594 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.652 28.223 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.380 27.257 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.850 25.654 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.794 26.274 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.379 26.205 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.932 28.261 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.252 28.499 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.108 28.763 -1.056 1.00 0.00 H new ATOM 932 N VAL A 56 11.024 26.024 -0.207 1.00 0.00 N ATOM 933 CA VAL A 56 10.266 25.105 -1.087 1.00 0.00 C ATOM 934 C VAL A 56 9.059 25.864 -1.612 1.00 0.00 C ATOM 935 O VAL A 56 8.591 25.648 -2.713 1.00 0.00 O ATOM 936 CB VAL A 56 9.830 23.878 -0.279 1.00 0.00 C ATOM 937 CG1 VAL A 56 8.837 23.039 -1.084 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.061 23.025 0.035 1.00 0.00 C ATOM 0 H VAL A 56 11.042 25.758 0.778 1.00 0.00 H new ATOM 0 HA VAL A 56 10.876 24.761 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 56 9.352 24.210 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.536 22.171 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.959 23.641 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.308 22.707 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.760 22.149 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.529 22.705 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.773 23.613 0.615 1.00 0.00 H new ATOM 948 N MET A 57 8.565 26.768 -0.820 1.00 0.00 N ATOM 949 CA MET A 57 7.394 27.577 -1.241 1.00 0.00 C ATOM 950 C MET A 57 7.789 28.393 -2.470 1.00 0.00 C ATOM 951 O MET A 57 7.016 28.572 -3.371 1.00 0.00 O ATOM 952 CB MET A 57 6.960 28.500 -0.078 1.00 0.00 C ATOM 953 CG MET A 57 5.753 27.910 0.707 1.00 0.00 C ATOM 954 SD MET A 57 4.241 28.804 0.220 1.00 0.00 S ATOM 955 CE MET A 57 3.049 27.437 0.171 1.00 0.00 C ATOM 0 H MET A 57 8.926 26.983 0.110 1.00 0.00 H new ATOM 0 HA MET A 57 6.552 26.933 -1.494 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.799 28.647 0.602 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.693 29.481 -0.472 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.648 26.846 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.918 28.005 1.780 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.432 27.524 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.585 26.488 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.413 27.477 1.055 1.00 0.00 H new ATOM 965 N GLU A 58 8.989 28.877 -2.543 1.00 0.00 N ATOM 966 CA GLU A 58 9.361 29.654 -3.754 1.00 0.00 C ATOM 967 C GLU A 58 9.110 28.756 -4.963 1.00 0.00 C ATOM 968 O GLU A 58 8.626 29.191 -5.989 1.00 0.00 O ATOM 969 CB GLU A 58 10.839 30.048 -3.691 1.00 0.00 C ATOM 970 CG GLU A 58 11.212 30.853 -4.940 1.00 0.00 C ATOM 971 CD GLU A 58 12.686 31.254 -4.867 1.00 0.00 C ATOM 972 OE1 GLU A 58 13.313 30.948 -3.866 1.00 0.00 O ATOM 973 OE2 GLU A 58 13.163 31.857 -5.814 1.00 0.00 O ATOM 0 H GLU A 58 9.717 28.774 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 58 8.771 30.568 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.030 30.639 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.461 29.155 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.029 30.260 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.585 31.742 -5.013 1.00 0.00 H new ATOM 980 N THR A 59 9.433 27.500 -4.840 1.00 0.00 N ATOM 981 CA THR A 59 9.212 26.555 -5.970 1.00 0.00 C ATOM 982 C THR A 59 7.733 26.139 -6.075 1.00 0.00 C ATOM 983 O THR A 59 7.177 26.084 -7.153 1.00 0.00 O ATOM 984 CB THR A 59 10.068 25.309 -5.741 1.00 0.00 C ATOM 985 OG1 THR A 59 11.414 25.697 -5.507 1.00 0.00 O ATOM 986 CG2 THR A 59 10.007 24.397 -6.966 1.00 0.00 C ATOM 0 H THR A 59 9.842 27.085 -4.003 1.00 0.00 H new ATOM 0 HA THR A 59 9.491 27.053 -6.899 1.00 0.00 H new ATOM 0 HB THR A 59 9.685 24.768 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.963 24.899 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.620 23.513 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.975 24.094 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.382 24.933 -7.838 1.00 0.00 H new ATOM 994 N LEU A 60 7.100 25.811 -4.975 1.00 0.00 N ATOM 995 CA LEU A 60 5.672 25.361 -5.034 1.00 0.00 C ATOM 996 C LEU A 60 4.714 26.542 -4.902 1.00 0.00 C ATOM 997 O LEU A 60 3.543 26.424 -5.200 1.00 0.00 O ATOM 998 CB LEU A 60 5.395 24.377 -3.894 1.00 0.00 C ATOM 999 CG LEU A 60 6.432 23.247 -3.891 1.00 0.00 C ATOM 1000 CD1 LEU A 60 5.988 22.174 -2.895 1.00 0.00 C ATOM 1001 CD2 LEU A 60 6.551 22.626 -5.291 1.00 0.00 C ATOM 0 H LEU A 60 7.508 25.835 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 60 5.512 24.882 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.419 24.902 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.394 23.959 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 60 7.403 23.650 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.717 21.364 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.914 22.610 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.015 21.782 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.291 21.826 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.585 22.220 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.862 23.391 -6.003 1.00 0.00 H new ATOM 1013 N ASP A 61 5.178 27.679 -4.471 1.00 0.00 N ATOM 1014 CA ASP A 61 4.244 28.837 -4.348 1.00 0.00 C ATOM 1015 C ASP A 61 4.089 29.442 -5.727 1.00 0.00 C ATOM 1016 O ASP A 61 4.422 30.585 -5.973 1.00 0.00 O ATOM 1017 CB ASP A 61 4.781 29.891 -3.376 1.00 0.00 C ATOM 1018 CG ASP A 61 3.677 30.905 -3.084 1.00 0.00 C ATOM 1019 OD1 ASP A 61 2.644 30.829 -3.733 1.00 0.00 O ATOM 1020 OD2 ASP A 61 3.882 31.744 -2.223 1.00 0.00 O ATOM 0 H ASP A 61 6.145 27.859 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 61 3.287 28.495 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.111 29.417 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.649 30.392 -3.805 1.00 0.00 H new ATOM 1025 N GLU A 62 3.592 28.660 -6.630 1.00 0.00 N ATOM 1026 CA GLU A 62 3.409 29.134 -8.020 1.00 0.00 C ATOM 1027 C GLU A 62 2.465 30.335 -8.010 1.00 0.00 C ATOM 1028 O GLU A 62 2.662 31.300 -8.722 1.00 0.00 O ATOM 1029 CB GLU A 62 2.798 28.001 -8.837 1.00 0.00 C ATOM 1030 CG GLU A 62 3.631 26.729 -8.631 1.00 0.00 C ATOM 1031 CD GLU A 62 3.126 25.629 -9.565 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.178 25.883 -10.290 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.691 24.548 -9.536 1.00 0.00 O ATOM 0 H GLU A 62 3.300 27.697 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 62 4.363 29.429 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.767 27.829 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.775 28.269 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.683 26.935 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.561 26.400 -7.594 1.00 0.00 H new ATOM 1040 N ASP A 63 1.448 30.287 -7.197 1.00 0.00 N ATOM 1041 CA ASP A 63 0.499 31.431 -7.127 1.00 0.00 C ATOM 1042 C ASP A 63 1.170 32.580 -6.375 1.00 0.00 C ATOM 1043 O ASP A 63 0.686 33.694 -6.358 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.761 31.005 -6.371 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.457 29.875 -7.128 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.583 29.987 -8.336 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -1.850 28.916 -6.486 1.00 0.00 O ATOM 0 H ASP A 63 1.233 29.505 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 63 0.228 31.748 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.500 30.675 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.436 31.854 -6.263 1.00 0.00 H new ATOM 1052 N GLY A 64 2.288 32.314 -5.755 1.00 0.00 N ATOM 1053 CA GLY A 64 2.999 33.391 -5.005 1.00 0.00 C ATOM 1054 C GLY A 64 2.101 33.917 -3.882 1.00 0.00 C ATOM 1055 O GLY A 64 2.185 35.070 -3.507 1.00 0.00 O ATOM 0 H GLY A 64 2.740 31.400 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.929 33.004 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.266 34.203 -5.681 1.00 0.00 H new ATOM 1059 N ASP A 65 1.238 33.085 -3.341 1.00 0.00 N ATOM 1060 CA ASP A 65 0.326 33.541 -2.241 1.00 0.00 C ATOM 1061 C ASP A 65 0.788 32.947 -0.909 1.00 0.00 C ATOM 1062 O ASP A 65 0.153 33.121 0.112 1.00 0.00 O ATOM 1063 CB ASP A 65 -1.103 33.084 -2.547 1.00 0.00 C ATOM 1064 CG ASP A 65 -1.088 31.635 -3.036 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -0.043 31.012 -2.952 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.122 31.175 -3.490 1.00 0.00 O ATOM 0 H ASP A 65 1.127 32.109 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 65 0.352 34.629 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.722 33.170 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.547 33.729 -3.305 1.00 0.00 H new ATOM 1071 N GLY A 66 1.885 32.242 -0.912 1.00 0.00 N ATOM 1072 CA GLY A 66 2.383 31.632 0.353 1.00 0.00 C ATOM 1073 C GLY A 66 1.617 30.337 0.617 1.00 0.00 C ATOM 1074 O GLY A 66 1.821 29.671 1.612 1.00 0.00 O ATOM 0 H GLY A 66 2.459 32.062 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.451 31.429 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.248 32.325 1.184 1.00 0.00 H new ATOM 1078 N GLU A 67 0.738 29.975 -0.281 1.00 0.00 N ATOM 1079 CA GLU A 67 -0.057 28.723 -0.119 1.00 0.00 C ATOM 1080 C GLU A 67 -0.120 28.004 -1.470 1.00 0.00 C ATOM 1081 O GLU A 67 -0.329 28.617 -2.499 1.00 0.00 O ATOM 1082 CB GLU A 67 -1.473 29.075 0.357 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.056 30.199 -0.505 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.395 30.650 0.080 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.887 29.979 0.971 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.904 31.663 -0.371 1.00 0.00 O ATOM 0 H GLU A 67 0.535 30.501 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 67 0.411 28.072 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.113 28.194 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.447 29.384 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.363 31.039 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.193 29.852 -1.529 1.00 0.00 H new ATOM 1093 N CYS A 68 0.058 26.705 -1.473 1.00 0.00 N ATOM 1094 CA CYS A 68 0.010 25.926 -2.750 1.00 0.00 C ATOM 1095 C CYS A 68 -1.332 25.206 -2.809 1.00 0.00 C ATOM 1096 O CYS A 68 -1.790 24.648 -1.838 1.00 0.00 O ATOM 1097 CB CYS A 68 1.181 24.915 -2.796 1.00 0.00 C ATOM 1098 SG CYS A 68 1.789 24.610 -1.117 1.00 0.00 S ATOM 0 H CYS A 68 0.236 26.147 -0.638 1.00 0.00 H new ATOM 0 HA CYS A 68 0.111 26.589 -3.610 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.850 23.980 -3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.986 25.304 -3.420 1.00 0.00 H new ATOM 0 HG CYS A 68 2.064 23.347 -0.978 1.00 0.00 H new ATOM 1104 N ASP A 69 -1.964 25.228 -3.941 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.286 24.566 -4.077 1.00 0.00 C ATOM 1106 C ASP A 69 -3.083 23.066 -4.219 1.00 0.00 C ATOM 1107 O ASP A 69 -1.978 22.592 -4.396 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.003 25.105 -5.319 1.00 0.00 C ATOM 1109 CG ASP A 69 -5.467 24.653 -5.310 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -5.854 23.974 -4.374 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -6.179 25.003 -6.238 1.00 0.00 O ATOM 0 H ASP A 69 -1.619 25.680 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.890 24.771 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.949 26.194 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.507 24.746 -6.221 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.139 22.312 -4.149 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.016 20.849 -4.287 1.00 0.00 C ATOM 1118 C PHE A 70 -3.217 20.554 -5.557 1.00 0.00 C ATOM 1119 O PHE A 70 -2.387 19.680 -5.585 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.431 20.265 -4.381 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.405 18.859 -4.935 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -4.481 17.923 -4.456 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.316 18.493 -5.933 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -4.467 16.629 -4.977 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.302 17.198 -6.451 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.378 16.264 -5.974 1.00 0.00 C ATOM 0 H PHE A 70 -5.088 22.654 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.501 20.403 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.892 20.261 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.047 20.899 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.780 18.202 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.030 19.214 -6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.752 15.908 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.005 16.917 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.367 15.261 -6.375 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.460 21.292 -6.601 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.709 21.073 -7.870 1.00 0.00 C ATOM 1138 C GLN A 71 -1.204 21.301 -7.666 1.00 0.00 C ATOM 1139 O GLN A 71 -0.387 20.494 -8.064 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.236 22.062 -8.921 1.00 0.00 C ATOM 1141 CG GLN A 71 -2.298 22.100 -10.132 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.985 22.823 -11.291 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -4.130 23.215 -11.184 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.332 23.013 -12.405 1.00 0.00 N ATOM 0 H GLN A 71 -4.150 22.042 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.855 20.044 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.237 21.769 -9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.318 23.057 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.371 22.610 -9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.031 21.086 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.371 22.684 -12.495 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.783 23.490 -13.185 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.831 22.406 -7.087 1.00 0.00 N ATOM 1154 CA GLU A 72 0.619 22.694 -6.905 1.00 0.00 C ATOM 1155 C GLU A 72 1.269 21.625 -6.025 1.00 0.00 C ATOM 1156 O GLU A 72 2.375 21.186 -6.276 1.00 0.00 O ATOM 1157 CB GLU A 72 0.774 24.069 -6.259 1.00 0.00 C ATOM 1158 CG GLU A 72 0.376 25.152 -7.264 1.00 0.00 C ATOM 1159 CD GLU A 72 0.531 26.530 -6.618 1.00 0.00 C ATOM 1160 OE1 GLU A 72 1.238 26.621 -5.630 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -0.069 27.468 -7.114 1.00 0.00 O ATOM 0 H GLU A 72 -1.465 23.122 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 72 1.114 22.685 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.149 24.137 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.805 24.217 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.001 25.084 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.655 25.003 -7.586 1.00 0.00 H new ATOM 1168 N PHE A 73 0.589 21.199 -5.005 1.00 0.00 N ATOM 1169 CA PHE A 73 1.157 20.154 -4.110 1.00 0.00 C ATOM 1170 C PHE A 73 1.346 18.854 -4.893 1.00 0.00 C ATOM 1171 O PHE A 73 2.294 18.123 -4.687 1.00 0.00 O ATOM 1172 CB PHE A 73 0.202 19.921 -2.932 1.00 0.00 C ATOM 1173 CG PHE A 73 0.643 18.700 -2.156 1.00 0.00 C ATOM 1174 CD1 PHE A 73 1.805 18.749 -1.381 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -0.104 17.517 -2.227 1.00 0.00 C ATOM 1176 CE1 PHE A 73 2.222 17.616 -0.674 1.00 0.00 C ATOM 1177 CE2 PHE A 73 0.313 16.383 -1.522 1.00 0.00 C ATOM 1178 CZ PHE A 73 1.475 16.432 -0.745 1.00 0.00 C ATOM 0 H PHE A 73 -0.341 21.529 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 73 2.124 20.483 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.192 20.795 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.816 19.784 -3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.381 19.661 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.002 17.480 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.119 17.654 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.262 15.470 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.797 15.557 -0.200 1.00 0.00 H new ATOM 1188 N MET A 74 0.436 18.560 -5.773 1.00 0.00 N ATOM 1189 CA MET A 74 0.524 17.306 -6.567 1.00 0.00 C ATOM 1190 C MET A 74 1.813 17.281 -7.385 1.00 0.00 C ATOM 1191 O MET A 74 2.425 16.246 -7.575 1.00 0.00 O ATOM 1192 CB MET A 74 -0.691 17.202 -7.494 1.00 0.00 C ATOM 1193 CG MET A 74 -1.920 16.780 -6.679 1.00 0.00 C ATOM 1194 SD MET A 74 -1.731 15.059 -6.141 1.00 0.00 S ATOM 1195 CE MET A 74 -1.804 14.280 -7.772 1.00 0.00 C ATOM 0 H MET A 74 -0.376 19.142 -5.979 1.00 0.00 H new ATOM 0 HA MET A 74 0.533 16.455 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.875 18.160 -7.980 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.498 16.476 -8.284 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.036 17.432 -5.813 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.822 16.886 -7.281 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.095 13.235 -7.664 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.536 14.799 -8.391 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.824 14.336 -8.246 1.00 0.00 H new ATOM 1205 N ALA A 75 2.217 18.399 -7.899 1.00 0.00 N ATOM 1206 CA ALA A 75 3.450 18.418 -8.727 1.00 0.00 C ATOM 1207 C ALA A 75 4.685 18.110 -7.877 1.00 0.00 C ATOM 1208 O ALA A 75 5.620 17.480 -8.328 1.00 0.00 O ATOM 1209 CB ALA A 75 3.604 19.791 -9.386 1.00 0.00 C ATOM 0 H ALA A 75 1.751 19.299 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 75 3.363 17.649 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.509 19.804 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.739 19.990 -10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.673 20.559 -8.615 1.00 0.00 H new ATOM 1215 N PHE A 76 4.697 18.552 -6.660 1.00 0.00 N ATOM 1216 CA PHE A 76 5.873 18.294 -5.775 1.00 0.00 C ATOM 1217 C PHE A 76 6.080 16.797 -5.610 1.00 0.00 C ATOM 1218 O PHE A 76 7.184 16.313 -5.500 1.00 0.00 O ATOM 1219 CB PHE A 76 5.604 18.936 -4.411 1.00 0.00 C ATOM 1220 CG PHE A 76 6.684 18.557 -3.422 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.964 19.114 -3.532 1.00 0.00 C ATOM 1222 CD2 PHE A 76 6.401 17.653 -2.388 1.00 0.00 C ATOM 1223 CE1 PHE A 76 8.960 18.767 -2.611 1.00 0.00 C ATOM 1224 CE2 PHE A 76 7.396 17.308 -1.467 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.676 17.864 -1.579 1.00 0.00 C ATOM 0 H PHE A 76 3.942 19.085 -6.230 1.00 0.00 H new ATOM 0 HA PHE A 76 6.773 18.722 -6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.563 20.020 -4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.632 18.615 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.183 19.811 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.414 17.223 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.947 19.196 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.177 16.613 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.445 17.596 -0.869 1.00 0.00 H new ATOM 1235 N VAL A 77 5.016 16.079 -5.569 1.00 0.00 N ATOM 1236 CA VAL A 77 5.090 14.605 -5.386 1.00 0.00 C ATOM 1237 C VAL A 77 5.749 13.952 -6.597 1.00 0.00 C ATOM 1238 O VAL A 77 6.469 12.986 -6.473 1.00 0.00 O ATOM 1239 CB VAL A 77 3.667 14.053 -5.212 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.693 12.810 -4.326 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.798 15.126 -4.564 1.00 0.00 C ATOM 0 H VAL A 77 4.070 16.450 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 77 5.688 14.381 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 77 3.259 13.782 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.680 12.426 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.319 12.047 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.099 13.069 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.785 14.745 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.212 15.391 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.775 16.010 -5.202 1.00 0.00 H new ATOM 1251 N SER A 78 5.484 14.449 -7.766 1.00 0.00 N ATOM 1252 CA SER A 78 6.083 13.824 -8.976 1.00 0.00 C ATOM 1253 C SER A 78 7.601 13.987 -8.953 1.00 0.00 C ATOM 1254 O SER A 78 8.333 13.095 -9.333 1.00 0.00 O ATOM 1255 CB SER A 78 5.513 14.486 -10.237 1.00 0.00 C ATOM 1256 OG SER A 78 4.260 13.895 -10.546 1.00 0.00 O ATOM 0 H SER A 78 4.883 15.255 -7.939 1.00 0.00 H new ATOM 0 HA SER A 78 5.839 12.762 -8.983 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.394 15.558 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.203 14.362 -11.071 1.00 0.00 H new ATOM 0 HG SER A 78 4.105 13.944 -11.512 1.00 0.00 H new ATOM 1262 N MET A 79 8.084 15.121 -8.538 1.00 0.00 N ATOM 1263 CA MET A 79 9.557 15.321 -8.534 1.00 0.00 C ATOM 1264 C MET A 79 10.224 14.485 -7.437 1.00 0.00 C ATOM 1265 O MET A 79 11.268 13.892 -7.639 1.00 0.00 O ATOM 1266 CB MET A 79 9.861 16.795 -8.285 1.00 0.00 C ATOM 1267 CG MET A 79 9.233 17.672 -9.374 1.00 0.00 C ATOM 1268 SD MET A 79 8.996 19.356 -8.735 1.00 0.00 S ATOM 1269 CE MET A 79 10.616 19.583 -7.948 1.00 0.00 C ATOM 0 H MET A 79 7.531 15.910 -8.205 1.00 0.00 H new ATOM 0 HA MET A 79 9.950 15.006 -9.501 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.478 17.090 -7.308 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.940 16.950 -8.264 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.875 17.693 -10.254 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.277 17.253 -9.687 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.808 20.647 -7.811 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.622 19.085 -6.978 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.392 19.153 -8.582 1.00 0.00 H new ATOM 1279 N VAL A 80 9.641 14.449 -6.276 1.00 0.00 N ATOM 1280 CA VAL A 80 10.249 13.670 -5.156 1.00 0.00 C ATOM 1281 C VAL A 80 10.319 12.192 -5.520 1.00 0.00 C ATOM 1282 O VAL A 80 11.273 11.506 -5.211 1.00 0.00 O ATOM 1283 CB VAL A 80 9.406 13.831 -3.894 1.00 0.00 C ATOM 1284 CG1 VAL A 80 10.003 12.974 -2.774 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.395 15.298 -3.464 1.00 0.00 C ATOM 0 H VAL A 80 8.768 14.925 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 80 11.256 14.048 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 80 8.385 13.509 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.403 13.087 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.007 11.928 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.025 13.297 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.792 15.408 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.415 15.625 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.970 15.908 -4.262 1.00 0.00 H new ATOM 1295 N THR A 81 9.306 11.695 -6.158 1.00 0.00 N ATOM 1296 CA THR A 81 9.289 10.257 -6.527 1.00 0.00 C ATOM 1297 C THR A 81 10.480 9.981 -7.427 1.00 0.00 C ATOM 1298 O THR A 81 11.127 8.958 -7.334 1.00 0.00 O ATOM 1299 CB THR A 81 7.997 9.929 -7.272 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.889 10.226 -6.440 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.973 8.440 -7.640 1.00 0.00 C ATOM 0 H THR A 81 8.482 12.225 -6.443 1.00 0.00 H new ATOM 0 HA THR A 81 9.343 9.640 -5.630 1.00 0.00 H new ATOM 0 HB THR A 81 7.944 10.525 -8.183 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.730 11.193 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.049 8.211 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.826 8.209 -8.279 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.027 7.840 -6.732 1.00 0.00 H new ATOM 1309 N THR A 82 10.772 10.895 -8.299 1.00 0.00 N ATOM 1310 CA THR A 82 11.919 10.709 -9.216 1.00 0.00 C ATOM 1311 C THR A 82 13.154 10.367 -8.377 1.00 0.00 C ATOM 1312 O THR A 82 13.951 9.522 -8.738 1.00 0.00 O ATOM 1313 CB THR A 82 12.146 12.016 -9.988 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.889 12.598 -10.300 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.897 11.728 -11.284 1.00 0.00 C ATOM 0 H THR A 82 10.261 11.770 -8.417 1.00 0.00 H new ATOM 0 HA THR A 82 11.728 9.904 -9.925 1.00 0.00 H new ATOM 0 HB THR A 82 12.732 12.700 -9.374 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.029 13.434 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.055 12.659 -11.828 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.861 11.275 -11.053 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.312 11.044 -11.899 1.00 0.00 H new ATOM 1323 N ALA A 83 13.299 10.997 -7.243 1.00 0.00 N ATOM 1324 CA ALA A 83 14.458 10.688 -6.360 1.00 0.00 C ATOM 1325 C ALA A 83 14.393 9.209 -5.973 1.00 0.00 C ATOM 1326 O ALA A 83 15.396 8.527 -5.896 1.00 0.00 O ATOM 1327 CB ALA A 83 14.395 11.561 -5.101 1.00 0.00 C ATOM 0 H ALA A 83 12.664 11.713 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 83 15.393 10.894 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.244 11.333 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.428 12.613 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.468 11.359 -4.564 1.00 0.00 H new ATOM 1333 N CYS A 84 13.211 8.712 -5.726 1.00 0.00 N ATOM 1334 CA CYS A 84 13.057 7.281 -5.338 1.00 0.00 C ATOM 1335 C CYS A 84 13.596 6.376 -6.450 1.00 0.00 C ATOM 1336 O CYS A 84 14.178 5.345 -6.185 1.00 0.00 O ATOM 1337 CB CYS A 84 11.577 6.967 -5.106 1.00 0.00 C ATOM 1338 SG CYS A 84 10.874 8.190 -3.974 1.00 0.00 S ATOM 0 H CYS A 84 12.340 9.240 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 84 13.619 7.101 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.038 6.980 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.467 5.965 -4.691 1.00 0.00 H new ATOM 0 HG CYS A 84 9.616 7.927 -3.777 1.00 0.00 H new ATOM 1344 N HIS A 85 13.411 6.740 -7.693 1.00 0.00 N ATOM 1345 CA HIS A 85 13.925 5.869 -8.791 1.00 0.00 C ATOM 1346 C HIS A 85 15.440 5.724 -8.657 1.00 0.00 C ATOM 1347 O HIS A 85 15.987 4.655 -8.840 1.00 0.00 O ATOM 1348 CB HIS A 85 13.602 6.490 -10.151 1.00 0.00 C ATOM 1349 CG HIS A 85 14.138 5.596 -11.238 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.257 5.936 -11.987 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.736 4.367 -11.703 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.487 4.931 -12.853 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.589 3.954 -12.719 1.00 0.00 N ATOM 0 H HIS A 85 12.933 7.590 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 85 13.448 4.891 -8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.525 6.613 -10.262 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.046 7.483 -10.227 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.888 3.808 -11.335 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.297 4.918 -13.567 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.539 3.085 -13.251 1.00 0.00 H new ATOM 1362 N GLU A 86 16.121 6.781 -8.318 1.00 0.00 N ATOM 1363 CA GLU A 86 17.597 6.683 -8.153 1.00 0.00 C ATOM 1364 C GLU A 86 17.907 5.774 -6.965 1.00 0.00 C ATOM 1365 O GLU A 86 18.893 5.065 -6.952 1.00 0.00 O ATOM 1366 CB GLU A 86 18.194 8.072 -7.908 1.00 0.00 C ATOM 1367 CG GLU A 86 18.156 8.885 -9.205 1.00 0.00 C ATOM 1368 CD GLU A 86 18.753 10.271 -8.955 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.981 10.597 -7.802 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.972 10.983 -9.922 1.00 0.00 O ATOM 0 H GLU A 86 15.722 7.704 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 86 18.035 6.268 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.634 8.587 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.221 7.980 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.717 8.371 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.129 8.978 -9.559 1.00 0.00 H new ATOM 1377 N PHE A 87 17.071 5.794 -5.962 1.00 0.00 N ATOM 1378 CA PHE A 87 17.309 4.935 -4.768 1.00 0.00 C ATOM 1379 C PHE A 87 16.695 3.554 -4.997 1.00 0.00 C ATOM 1380 O PHE A 87 17.175 2.561 -4.488 1.00 0.00 O ATOM 1381 CB PHE A 87 16.665 5.584 -3.541 1.00 0.00 C ATOM 1382 CG PHE A 87 16.858 4.688 -2.341 1.00 0.00 C ATOM 1383 CD1 PHE A 87 17.992 4.832 -1.532 1.00 0.00 C ATOM 1384 CD2 PHE A 87 15.904 3.709 -2.043 1.00 0.00 C ATOM 1385 CE1 PHE A 87 18.170 3.995 -0.423 1.00 0.00 C ATOM 1386 CE2 PHE A 87 16.082 2.873 -0.934 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.216 3.016 -0.125 1.00 0.00 C ATOM 0 H PHE A 87 16.231 6.371 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 87 18.382 4.829 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 87 17.112 6.560 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.602 5.749 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.728 5.587 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.030 3.598 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 87 19.044 4.105 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.345 2.118 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.354 2.370 0.730 1.00 0.00 H new ATOM 1397 N PHE A 88 15.638 3.480 -5.764 1.00 0.00 N ATOM 1398 CA PHE A 88 14.993 2.162 -6.033 1.00 0.00 C ATOM 1399 C PHE A 88 15.555 1.600 -7.345 1.00 0.00 C ATOM 1400 O PHE A 88 14.853 1.441 -8.324 1.00 0.00 O ATOM 1401 CB PHE A 88 13.459 2.355 -6.127 1.00 0.00 C ATOM 1402 CG PHE A 88 12.734 1.151 -5.549 1.00 0.00 C ATOM 1403 CD1 PHE A 88 13.199 -0.147 -5.807 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.599 1.337 -4.749 1.00 0.00 C ATOM 1405 CE1 PHE A 88 12.530 -1.252 -5.268 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.932 0.230 -4.209 1.00 0.00 C ATOM 1407 CZ PHE A 88 11.397 -1.064 -4.469 1.00 0.00 C ATOM 0 H PHE A 88 15.193 4.279 -6.217 1.00 0.00 H new ATOM 0 HA PHE A 88 15.203 1.459 -5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.166 3.256 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.168 2.497 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.074 -0.294 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.238 2.335 -4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.889 -2.251 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.058 0.375 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.882 -1.917 -4.053 1.00 0.00 H new ATOM 1464 N MET B 0 -3.289 5.316 6.120 1.00 0.00 N ATOM 1465 CA MET B 0 -2.957 6.692 5.653 1.00 0.00 C ATOM 1466 C MET B 0 -1.454 6.798 5.394 1.00 0.00 C ATOM 1467 O MET B 0 -0.706 5.871 5.635 1.00 0.00 O ATOM 1468 CB MET B 0 -3.364 7.708 6.721 1.00 0.00 C ATOM 1469 CG MET B 0 -4.875 7.630 6.950 1.00 0.00 C ATOM 1470 SD MET B 0 -5.736 8.279 5.494 1.00 0.00 S ATOM 1471 CE MET B 0 -7.165 7.170 5.553 1.00 0.00 C ATOM 0 H1 MET B 0 -4.153 4.987 5.644 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.503 4.674 5.894 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.443 5.326 7.149 1.00 0.00 H new ATOM 0 HA MET B 0 -3.499 6.900 4.730 1.00 0.00 H new ATOM 0 HB2 MET B 0 -2.834 7.506 7.651 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.084 8.714 6.407 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.174 6.598 7.133 1.00 0.00 H new ATOM 0 HG3 MET B 0 -5.150 8.203 7.835 1.00 0.00 H new ATOM 0 HE1 MET B 0 -7.839 7.400 4.728 1.00 0.00 H new ATOM 0 HE2 MET B 0 -6.828 6.137 5.468 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.691 7.304 6.499 1.00 0.00 H new ATOM 1483 N SER B 1 -1.006 7.920 4.902 1.00 0.00 N ATOM 1484 CA SER B 1 0.450 8.081 4.627 1.00 0.00 C ATOM 1485 C SER B 1 0.909 6.977 3.669 1.00 0.00 C ATOM 1486 O SER B 1 2.045 6.547 3.700 1.00 0.00 O ATOM 1487 CB SER B 1 1.232 7.986 5.940 1.00 0.00 C ATOM 1488 OG SER B 1 0.520 8.675 6.959 1.00 0.00 O ATOM 0 H SER B 1 -1.583 8.731 4.679 1.00 0.00 H new ATOM 0 HA SER B 1 0.632 9.054 4.172 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.371 6.942 6.220 1.00 0.00 H new ATOM 0 HB3 SER B 1 2.225 8.418 5.818 1.00 0.00 H new ATOM 0 HG SER B 1 1.016 8.615 7.802 1.00 0.00 H new ATOM 1494 N GLU B 2 0.034 6.522 2.815 1.00 0.00 N ATOM 1495 CA GLU B 2 0.414 5.452 1.847 1.00 0.00 C ATOM 1496 C GLU B 2 1.283 6.060 0.755 1.00 0.00 C ATOM 1497 O GLU B 2 1.627 5.417 -0.217 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.840 4.851 1.215 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.671 4.176 2.299 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.930 3.570 1.676 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.188 3.854 0.517 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -3.612 2.830 2.365 1.00 0.00 O ATOM 0 H GLU B 2 -0.931 6.845 2.745 1.00 0.00 H new ATOM 0 HA GLU B 2 0.961 4.668 2.370 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.424 5.630 0.724 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.564 4.128 0.448 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -1.085 3.399 2.790 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.945 4.901 3.066 1.00 0.00 H new ATOM 1509 N LEU B 3 1.619 7.306 0.902 1.00 0.00 N ATOM 1510 CA LEU B 3 2.444 7.991 -0.126 1.00 0.00 C ATOM 1511 C LEU B 3 3.632 7.111 -0.511 1.00 0.00 C ATOM 1512 O LEU B 3 4.209 7.264 -1.563 1.00 0.00 O ATOM 1513 CB LEU B 3 2.951 9.314 0.451 1.00 0.00 C ATOM 1514 CG LEU B 3 3.615 10.153 -0.646 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.574 10.566 -1.707 1.00 0.00 C ATOM 1516 CD2 LEU B 3 4.236 11.403 -0.008 1.00 0.00 C ATOM 0 H LEU B 3 1.355 7.886 1.698 1.00 0.00 H new ATOM 0 HA LEU B 3 1.842 8.178 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.122 9.868 0.891 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.665 9.120 1.252 1.00 0.00 H new ATOM 0 HG LEU B 3 4.390 9.564 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.059 11.162 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.138 9.673 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.788 11.155 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.712 12.008 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.457 11.987 0.481 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.982 11.103 0.729 1.00 0.00 H new ATOM 1528 N GLU B 4 4.002 6.192 0.326 1.00 0.00 N ATOM 1529 CA GLU B 4 5.154 5.305 -0.010 1.00 0.00 C ATOM 1530 C GLU B 4 4.760 4.360 -1.144 1.00 0.00 C ATOM 1531 O GLU B 4 5.538 4.078 -2.034 1.00 0.00 O ATOM 1532 CB GLU B 4 5.532 4.483 1.225 1.00 0.00 C ATOM 1533 CG GLU B 4 6.157 5.399 2.275 1.00 0.00 C ATOM 1534 CD GLU B 4 6.427 4.608 3.557 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.489 4.395 4.308 1.00 0.00 O ATOM 1536 OE2 GLU B 4 7.569 4.233 3.769 1.00 0.00 O ATOM 0 H GLU B 4 3.561 6.012 1.228 1.00 0.00 H new ATOM 0 HA GLU B 4 6.002 5.913 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.648 3.994 1.634 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.234 3.696 0.950 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.087 5.822 1.895 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.490 6.235 2.486 1.00 0.00 H new ATOM 1543 N LYS B 5 3.561 3.860 -1.106 1.00 0.00 N ATOM 1544 CA LYS B 5 3.101 2.918 -2.167 1.00 0.00 C ATOM 1545 C LYS B 5 2.833 3.678 -3.463 1.00 0.00 C ATOM 1546 O LYS B 5 3.103 3.193 -4.537 1.00 0.00 O ATOM 1547 CB LYS B 5 1.815 2.203 -1.706 1.00 0.00 C ATOM 1548 CG LYS B 5 2.166 0.953 -0.880 1.00 0.00 C ATOM 1549 CD LYS B 5 2.935 1.338 0.393 1.00 0.00 C ATOM 1550 CE LYS B 5 2.088 2.262 1.278 1.00 0.00 C ATOM 1551 NZ LYS B 5 0.662 1.836 1.230 1.00 0.00 N ATOM 0 H LYS B 5 2.872 4.063 -0.382 1.00 0.00 H new ATOM 0 HA LYS B 5 3.881 2.178 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.207 2.883 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.218 1.919 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.253 0.421 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.767 0.271 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.203 0.439 0.948 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.867 1.836 0.125 1.00 0.00 H new ATOM 0 HE2 LYS B 5 2.452 2.232 2.305 1.00 0.00 H new ATOM 0 HE3 LYS B 5 2.181 3.293 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 0.154 2.232 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 0.226 2.181 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 0.609 0.798 1.259 1.00 0.00 H new ATOM 1565 N ALA B 6 2.265 4.843 -3.372 1.00 0.00 N ATOM 1566 CA ALA B 6 1.943 5.605 -4.608 1.00 0.00 C ATOM 1567 C ALA B 6 3.214 6.033 -5.343 1.00 0.00 C ATOM 1568 O ALA B 6 3.295 5.940 -6.549 1.00 0.00 O ATOM 1569 CB ALA B 6 1.109 6.837 -4.229 1.00 0.00 C ATOM 0 H ALA B 6 2.009 5.302 -2.498 1.00 0.00 H new ATOM 0 HA ALA B 6 1.375 4.963 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.867 7.403 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.187 6.517 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.680 7.467 -3.546 1.00 0.00 H new ATOM 1575 N MET B 7 4.200 6.505 -4.642 1.00 0.00 N ATOM 1576 CA MET B 7 5.447 6.941 -5.332 1.00 0.00 C ATOM 1577 C MET B 7 6.103 5.741 -6.008 1.00 0.00 C ATOM 1578 O MET B 7 6.616 5.825 -7.112 1.00 0.00 O ATOM 1579 CB MET B 7 6.419 7.537 -4.310 1.00 0.00 C ATOM 1580 CG MET B 7 5.889 8.879 -3.802 1.00 0.00 C ATOM 1581 SD MET B 7 7.159 9.670 -2.782 1.00 0.00 S ATOM 1582 CE MET B 7 6.504 11.354 -2.860 1.00 0.00 C ATOM 0 H MET B 7 4.201 6.609 -3.627 1.00 0.00 H new ATOM 0 HA MET B 7 5.198 7.693 -6.081 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.548 6.849 -3.475 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.400 7.673 -4.766 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.627 9.522 -4.642 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.980 8.728 -3.220 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.908 11.940 -2.034 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.792 11.813 -3.806 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.417 11.325 -2.787 1.00 0.00 H new ATOM 1592 N VAL B 8 6.089 4.627 -5.347 1.00 0.00 N ATOM 1593 CA VAL B 8 6.715 3.405 -5.925 1.00 0.00 C ATOM 1594 C VAL B 8 5.958 2.980 -7.183 1.00 0.00 C ATOM 1595 O VAL B 8 6.537 2.501 -8.133 1.00 0.00 O ATOM 1596 CB VAL B 8 6.676 2.269 -4.898 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.137 0.962 -5.555 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.605 2.608 -3.728 1.00 0.00 C ATOM 0 H VAL B 8 5.670 4.504 -4.425 1.00 0.00 H new ATOM 0 HA VAL B 8 7.751 3.624 -6.184 1.00 0.00 H new ATOM 0 HB VAL B 8 5.657 2.148 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.108 0.156 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.475 0.720 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.156 1.080 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.578 1.800 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.624 2.731 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.275 3.534 -3.258 1.00 0.00 H new ATOM 1608 N ALA B 9 4.664 3.116 -7.171 1.00 0.00 N ATOM 1609 CA ALA B 9 3.846 2.683 -8.342 1.00 0.00 C ATOM 1610 C ALA B 9 4.109 3.564 -9.561 1.00 0.00 C ATOM 1611 O ALA B 9 4.087 3.094 -10.679 1.00 0.00 O ATOM 1612 CB ALA B 9 2.367 2.745 -7.986 1.00 0.00 C ATOM 0 H ALA B 9 4.131 3.511 -6.396 1.00 0.00 H new ATOM 0 HA ALA B 9 4.129 1.660 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.773 2.428 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.168 2.084 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.100 3.767 -7.717 1.00 0.00 H new ATOM 1618 N LEU B 10 4.351 4.831 -9.379 1.00 0.00 N ATOM 1619 CA LEU B 10 4.601 5.684 -10.575 1.00 0.00 C ATOM 1620 C LEU B 10 5.818 5.125 -11.294 1.00 0.00 C ATOM 1621 O LEU B 10 5.876 5.066 -12.506 1.00 0.00 O ATOM 1622 CB LEU B 10 4.906 7.128 -10.163 1.00 0.00 C ATOM 1623 CG LEU B 10 3.728 7.736 -9.397 1.00 0.00 C ATOM 1624 CD1 LEU B 10 4.069 9.187 -9.037 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.457 7.695 -10.263 1.00 0.00 C ATOM 0 H LEU B 10 4.387 5.306 -8.477 1.00 0.00 H new ATOM 0 HA LEU B 10 3.716 5.682 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.801 7.152 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.117 7.727 -11.049 1.00 0.00 H new ATOM 0 HG LEU B 10 3.546 7.163 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.237 9.631 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.964 9.207 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.249 9.756 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.625 8.130 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.621 8.265 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.223 6.661 -10.517 1.00 0.00 H new ATOM 1637 N ILE B 11 6.790 4.717 -10.541 1.00 0.00 N ATOM 1638 CA ILE B 11 8.025 4.157 -11.142 1.00 0.00 C ATOM 1639 C ILE B 11 7.748 2.789 -11.791 1.00 0.00 C ATOM 1640 O ILE B 11 8.290 2.477 -12.828 1.00 0.00 O ATOM 1641 CB ILE B 11 9.090 4.030 -10.048 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.538 5.438 -9.632 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.292 3.253 -10.585 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.409 5.376 -8.370 1.00 0.00 C ATOM 0 H ILE B 11 6.783 4.747 -9.521 1.00 0.00 H new ATOM 0 HA ILE B 11 8.382 4.825 -11.926 1.00 0.00 H new ATOM 0 HB ILE B 11 8.677 3.499 -9.191 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.097 5.902 -10.444 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.665 6.064 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.047 3.165 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.973 2.258 -10.895 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.714 3.781 -11.440 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.717 6.384 -8.091 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.837 4.932 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.292 4.768 -8.567 1.00 0.00 H new ATOM 1656 N ASP B 12 6.949 1.954 -11.176 1.00 0.00 N ATOM 1657 CA ASP B 12 6.692 0.596 -11.758 1.00 0.00 C ATOM 1658 C ASP B 12 6.046 0.683 -13.151 1.00 0.00 C ATOM 1659 O ASP B 12 6.433 -0.021 -14.063 1.00 0.00 O ATOM 1660 CB ASP B 12 5.762 -0.179 -10.821 1.00 0.00 C ATOM 1661 CG ASP B 12 6.514 -0.540 -9.538 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.731 -0.607 -9.586 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.860 -0.739 -8.527 1.00 0.00 O ATOM 0 H ASP B 12 6.464 2.150 -10.300 1.00 0.00 H new ATOM 0 HA ASP B 12 7.650 0.086 -11.864 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.884 0.422 -10.584 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.405 -1.084 -11.313 1.00 0.00 H new ATOM 1668 N VAL B 13 5.060 1.519 -13.324 1.00 0.00 N ATOM 1669 CA VAL B 13 4.388 1.624 -14.659 1.00 0.00 C ATOM 1670 C VAL B 13 5.341 2.282 -15.670 1.00 0.00 C ATOM 1671 O VAL B 13 5.406 1.894 -16.821 1.00 0.00 O ATOM 1672 CB VAL B 13 3.049 2.413 -14.498 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.021 3.690 -15.351 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.863 1.533 -14.919 1.00 0.00 C ATOM 0 H VAL B 13 4.687 2.136 -12.602 1.00 0.00 H new ATOM 0 HA VAL B 13 4.145 0.634 -15.045 1.00 0.00 H new ATOM 0 HB VAL B 13 2.974 2.691 -13.447 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.071 4.204 -15.206 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.838 4.346 -15.051 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.134 3.428 -16.403 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.935 2.093 -14.803 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.981 1.238 -15.962 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.830 0.642 -14.292 1.00 0.00 H new ATOM 1684 N PHE B 14 6.074 3.273 -15.252 1.00 0.00 N ATOM 1685 CA PHE B 14 7.008 3.949 -16.195 1.00 0.00 C ATOM 1686 C PHE B 14 8.006 2.927 -16.738 1.00 0.00 C ATOM 1687 O PHE B 14 8.353 2.955 -17.890 1.00 0.00 O ATOM 1688 CB PHE B 14 7.762 5.070 -15.458 1.00 0.00 C ATOM 1689 CG PHE B 14 8.957 5.523 -16.274 1.00 0.00 C ATOM 1690 CD1 PHE B 14 10.190 4.878 -16.108 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.836 6.570 -17.195 1.00 0.00 C ATOM 1692 CE1 PHE B 14 11.299 5.281 -16.859 1.00 0.00 C ATOM 1693 CE2 PHE B 14 9.948 6.971 -17.947 1.00 0.00 C ATOM 1694 CZ PHE B 14 11.178 6.327 -17.778 1.00 0.00 C ATOM 0 H PHE B 14 6.068 3.644 -14.302 1.00 0.00 H new ATOM 0 HA PHE B 14 6.444 4.380 -17.022 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.093 5.912 -15.281 1.00 0.00 H new ATOM 0 HB3 PHE B 14 8.093 4.715 -14.482 1.00 0.00 H new ATOM 0 HD1 PHE B 14 10.284 4.069 -15.399 1.00 0.00 H new ATOM 0 HD2 PHE B 14 7.887 7.068 -17.326 1.00 0.00 H new ATOM 0 HE1 PHE B 14 12.249 4.784 -16.729 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.855 7.779 -18.658 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.034 6.638 -18.358 1.00 0.00 H new ATOM 1704 N HIS B 15 8.476 2.042 -15.917 1.00 0.00 N ATOM 1705 CA HIS B 15 9.458 1.030 -16.392 1.00 0.00 C ATOM 1706 C HIS B 15 8.807 0.115 -17.429 1.00 0.00 C ATOM 1707 O HIS B 15 9.460 -0.395 -18.317 1.00 0.00 O ATOM 1708 CB HIS B 15 9.938 0.199 -15.199 1.00 0.00 C ATOM 1709 CG HIS B 15 11.012 -0.758 -15.638 1.00 0.00 C ATOM 1710 ND1 HIS B 15 12.252 -0.325 -16.088 1.00 0.00 N ATOM 1711 CD2 HIS B 15 11.052 -2.130 -15.691 1.00 0.00 C ATOM 1712 CE1 HIS B 15 12.979 -1.418 -16.387 1.00 0.00 C ATOM 1713 NE2 HIS B 15 12.293 -2.540 -16.162 1.00 0.00 N ATOM 0 H HIS B 15 8.224 1.972 -14.931 1.00 0.00 H new ATOM 0 HA HIS B 15 10.306 1.536 -16.853 1.00 0.00 H new ATOM 0 HB2 HIS B 15 10.322 0.856 -14.418 1.00 0.00 H new ATOM 0 HB3 HIS B 15 9.102 -0.352 -14.769 1.00 0.00 H new ATOM 0 HD2 HIS B 15 10.243 -2.788 -15.410 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.991 -1.390 -16.762 1.00 0.00 H new ATOM 0 HE2 HIS B 15 12.613 -3.498 -16.306 1.00 0.00 H new ATOM 1722 N GLN B 16 7.531 -0.117 -17.309 1.00 0.00 N ATOM 1723 CA GLN B 16 6.842 -1.020 -18.268 1.00 0.00 C ATOM 1724 C GLN B 16 6.966 -0.485 -19.702 1.00 0.00 C ATOM 1725 O GLN B 16 7.155 -1.239 -20.636 1.00 0.00 O ATOM 1726 CB GLN B 16 5.362 -1.095 -17.873 1.00 0.00 C ATOM 1727 CG GLN B 16 4.606 -2.055 -18.793 1.00 0.00 C ATOM 1728 CD GLN B 16 5.194 -3.461 -18.669 1.00 0.00 C ATOM 1729 OE1 GLN B 16 5.638 -4.069 -19.735 1.00 0.00 O flip ATOM 1730 NE2 GLN B 16 5.253 -4.013 -17.588 1.00 0.00 N flip ATOM 0 H GLN B 16 6.934 0.282 -16.585 1.00 0.00 H new ATOM 0 HA GLN B 16 7.301 -2.008 -18.234 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.273 -1.428 -16.839 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.915 -0.102 -17.928 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.548 -2.069 -18.530 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.673 -1.712 -19.826 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.906 -3.539 -16.754 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.649 -4.950 -17.515 1.00 0.00 H new ATOM 1739 N TYR B 17 6.825 0.800 -19.896 1.00 0.00 N ATOM 1740 CA TYR B 17 6.897 1.363 -21.286 1.00 0.00 C ATOM 1741 C TYR B 17 8.315 1.802 -21.675 1.00 0.00 C ATOM 1742 O TYR B 17 8.708 1.698 -22.820 1.00 0.00 O ATOM 1743 CB TYR B 17 5.956 2.567 -21.356 1.00 0.00 C ATOM 1744 CG TYR B 17 4.545 2.062 -21.492 1.00 0.00 C ATOM 1745 CD1 TYR B 17 3.852 1.608 -20.368 1.00 0.00 C ATOM 1746 CD2 TYR B 17 3.947 2.028 -22.747 1.00 0.00 C ATOM 1747 CE1 TYR B 17 2.551 1.122 -20.505 1.00 0.00 C ATOM 1748 CE2 TYR B 17 2.649 1.540 -22.891 1.00 0.00 C ATOM 1749 CZ TYR B 17 1.947 1.086 -21.769 1.00 0.00 C ATOM 1750 OH TYR B 17 0.662 0.601 -21.908 1.00 0.00 O ATOM 0 H TYR B 17 6.664 1.485 -19.158 1.00 0.00 H new ATOM 0 HA TYR B 17 6.605 0.581 -21.987 1.00 0.00 H new ATOM 0 HB2 TYR B 17 6.055 3.178 -20.459 1.00 0.00 H new ATOM 0 HB3 TYR B 17 6.215 3.201 -22.204 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.321 1.633 -19.396 1.00 0.00 H new ATOM 0 HD2 TYR B 17 4.489 2.380 -23.612 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.010 0.774 -19.637 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.186 1.512 -23.866 1.00 0.00 H new ATOM 0 HH TYR B 17 0.320 0.325 -21.032 1.00 0.00 H new ATOM 1760 N SER B 18 9.069 2.323 -20.760 1.00 0.00 N ATOM 1761 CA SER B 18 10.436 2.801 -21.111 1.00 0.00 C ATOM 1762 C SER B 18 11.283 1.651 -21.655 1.00 0.00 C ATOM 1763 O SER B 18 12.039 1.815 -22.593 1.00 0.00 O ATOM 1764 CB SER B 18 11.098 3.371 -19.860 1.00 0.00 C ATOM 1765 OG SER B 18 10.328 4.468 -19.388 1.00 0.00 O ATOM 0 H SER B 18 8.803 2.441 -19.782 1.00 0.00 H new ATOM 0 HA SER B 18 10.358 3.570 -21.880 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.171 2.603 -19.090 1.00 0.00 H new ATOM 0 HB3 SER B 18 12.114 3.694 -20.086 1.00 0.00 H new ATOM 0 HG SER B 18 10.900 5.068 -18.866 1.00 0.00 H new ATOM 1771 N GLY B 19 11.169 0.490 -21.078 1.00 0.00 N ATOM 1772 CA GLY B 19 11.976 -0.668 -21.565 1.00 0.00 C ATOM 1773 C GLY B 19 11.276 -1.342 -22.748 1.00 0.00 C ATOM 1774 O GLY B 19 11.859 -2.149 -23.445 1.00 0.00 O ATOM 0 H GLY B 19 10.553 0.289 -20.290 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.967 -0.329 -21.865 1.00 0.00 H new ATOM 0 HA3 GLY B 19 12.116 -1.388 -20.758 1.00 0.00 H new ATOM 1778 N ARG B 20 10.026 -1.038 -22.971 1.00 0.00 N ATOM 1779 CA ARG B 20 9.295 -1.686 -24.099 1.00 0.00 C ATOM 1780 C ARG B 20 9.976 -1.371 -25.434 1.00 0.00 C ATOM 1781 O ARG B 20 10.173 -2.241 -26.258 1.00 0.00 O ATOM 1782 CB ARG B 20 7.845 -1.181 -24.129 1.00 0.00 C ATOM 1783 CG ARG B 20 7.021 -1.950 -25.198 1.00 0.00 C ATOM 1784 CD ARG B 20 6.881 -1.115 -26.478 1.00 0.00 C ATOM 1785 NE ARG B 20 6.076 -1.876 -27.476 1.00 0.00 N ATOM 1786 CZ ARG B 20 5.577 -1.269 -28.518 1.00 0.00 C ATOM 1787 NH1 ARG B 20 5.785 0.007 -28.694 1.00 0.00 N ATOM 1788 NH2 ARG B 20 4.869 -1.939 -29.386 1.00 0.00 N ATOM 0 H ARG B 20 9.481 -0.372 -22.424 1.00 0.00 H new ATOM 0 HA ARG B 20 9.306 -2.765 -23.948 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.389 -1.310 -23.148 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.830 -0.114 -24.349 1.00 0.00 H new ATOM 0 HG2 ARG B 20 7.508 -2.898 -25.427 1.00 0.00 H new ATOM 0 HG3 ARG B 20 6.033 -2.187 -24.802 1.00 0.00 H new ATOM 0 HD2 ARG B 20 6.399 -0.163 -26.254 1.00 0.00 H new ATOM 0 HD3 ARG B 20 7.865 -0.886 -26.886 1.00 0.00 H new ATOM 0 HE ARG B 20 5.915 -2.874 -27.344 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.338 0.532 -28.017 1.00 0.00 H new ATOM 0 HH12 ARG B 20 5.394 0.480 -29.509 1.00 0.00 H new ATOM 0 HH21 ARG B 20 4.706 -2.937 -29.250 1.00 0.00 H new ATOM 0 HH22 ARG B 20 4.479 -1.465 -30.201 1.00 0.00 H new ATOM 1802 N GLU B 21 10.324 -0.132 -25.664 1.00 0.00 N ATOM 1803 CA GLU B 21 10.976 0.236 -26.958 1.00 0.00 C ATOM 1804 C GLU B 21 12.498 0.113 -26.842 1.00 0.00 C ATOM 1805 O GLU B 21 13.085 -0.840 -27.317 1.00 0.00 O ATOM 1806 CB GLU B 21 10.605 1.672 -27.326 1.00 0.00 C ATOM 1807 CG GLU B 21 11.140 1.989 -28.724 1.00 0.00 C ATOM 1808 CD GLU B 21 10.574 3.329 -29.195 1.00 0.00 C ATOM 1809 OE1 GLU B 21 11.105 4.348 -28.788 1.00 0.00 O ATOM 1810 OE2 GLU B 21 9.621 3.313 -29.956 1.00 0.00 O ATOM 0 H GLU B 21 10.186 0.641 -25.013 1.00 0.00 H new ATOM 0 HA GLU B 21 10.627 -0.444 -27.735 1.00 0.00 H new ATOM 0 HB2 GLU B 21 9.523 1.798 -27.301 1.00 0.00 H new ATOM 0 HB3 GLU B 21 11.024 2.366 -26.598 1.00 0.00 H new ATOM 0 HG2 GLU B 21 12.229 2.028 -28.708 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.859 1.199 -29.420 1.00 0.00 H new ATOM 1817 N GLY B 22 13.150 1.069 -26.231 1.00 0.00 N ATOM 1818 CA GLY B 22 14.634 0.984 -26.115 1.00 0.00 C ATOM 1819 C GLY B 22 15.169 2.076 -25.181 1.00 0.00 C ATOM 1820 O GLY B 22 16.175 1.895 -24.524 1.00 0.00 O ATOM 0 H GLY B 22 12.723 1.895 -25.812 1.00 0.00 H new ATOM 0 HA2 GLY B 22 14.918 0.003 -25.735 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.087 1.088 -27.101 1.00 0.00 H new ATOM 1824 N ASP B 23 14.519 3.208 -25.110 1.00 0.00 N ATOM 1825 CA ASP B 23 15.021 4.289 -24.210 1.00 0.00 C ATOM 1826 C ASP B 23 14.553 3.997 -22.781 1.00 0.00 C ATOM 1827 O ASP B 23 13.442 4.308 -22.402 1.00 0.00 O ATOM 1828 CB ASP B 23 14.463 5.635 -24.673 1.00 0.00 C ATOM 1829 CG ASP B 23 15.073 6.003 -26.027 1.00 0.00 C ATOM 1830 OD1 ASP B 23 16.180 5.565 -26.295 1.00 0.00 O ATOM 1831 OD2 ASP B 23 14.424 6.719 -26.771 1.00 0.00 O ATOM 0 H ASP B 23 13.670 3.430 -25.631 1.00 0.00 H new ATOM 0 HA ASP B 23 16.110 4.326 -24.240 1.00 0.00 H new ATOM 0 HB2 ASP B 23 13.377 5.582 -24.754 1.00 0.00 H new ATOM 0 HB3 ASP B 23 14.691 6.407 -23.938 1.00 0.00 H new ATOM 1836 N LYS B 24 15.390 3.376 -21.995 1.00 0.00 N ATOM 1837 CA LYS B 24 15.000 3.027 -20.598 1.00 0.00 C ATOM 1838 C LYS B 24 14.891 4.281 -19.721 1.00 0.00 C ATOM 1839 O LYS B 24 14.020 4.381 -18.880 1.00 0.00 O ATOM 1840 CB LYS B 24 16.061 2.103 -19.998 1.00 0.00 C ATOM 1841 CG LYS B 24 16.002 0.734 -20.689 1.00 0.00 C ATOM 1842 CD LYS B 24 16.936 -0.266 -19.985 1.00 0.00 C ATOM 1843 CE LYS B 24 18.386 -0.062 -20.443 1.00 0.00 C ATOM 1844 NZ LYS B 24 18.499 -0.365 -21.898 1.00 0.00 N ATOM 0 H LYS B 24 16.333 3.094 -22.262 1.00 0.00 H new ATOM 0 HA LYS B 24 14.028 2.535 -20.628 1.00 0.00 H new ATOM 0 HB2 LYS B 24 17.051 2.541 -20.121 1.00 0.00 H new ATOM 0 HB3 LYS B 24 15.894 1.988 -18.927 1.00 0.00 H new ATOM 0 HG2 LYS B 24 14.979 0.357 -20.675 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.290 0.835 -21.735 1.00 0.00 H new ATOM 0 HD2 LYS B 24 16.868 -0.137 -18.905 1.00 0.00 H new ATOM 0 HD3 LYS B 24 16.619 -1.285 -20.205 1.00 0.00 H new ATOM 0 HE2 LYS B 24 18.698 0.964 -20.250 1.00 0.00 H new ATOM 0 HE3 LYS B 24 19.052 -0.710 -19.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 19.459 -0.707 -22.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 17.807 -1.097 -22.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 18.311 0.497 -22.448 1.00 0.00 H new ATOM 1858 N HIS B 25 15.788 5.222 -19.879 1.00 0.00 N ATOM 1859 CA HIS B 25 15.759 6.450 -19.017 1.00 0.00 C ATOM 1860 C HIS B 25 15.109 7.629 -19.744 1.00 0.00 C ATOM 1861 O HIS B 25 15.096 8.734 -19.238 1.00 0.00 O ATOM 1862 CB HIS B 25 17.193 6.833 -18.648 1.00 0.00 C ATOM 1863 CG HIS B 25 17.778 5.783 -17.746 1.00 0.00 C ATOM 1864 ND1 HIS B 25 19.074 5.311 -17.903 1.00 0.00 N ATOM 1865 CD2 HIS B 25 17.258 5.102 -16.672 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.288 4.387 -16.948 1.00 0.00 C ATOM 1867 NE2 HIS B 25 18.213 4.225 -16.174 1.00 0.00 N ATOM 0 H HIS B 25 16.540 5.196 -20.567 1.00 0.00 H new ATOM 0 HA HIS B 25 15.172 6.227 -18.126 1.00 0.00 H new ATOM 0 HB2 HIS B 25 17.798 6.930 -19.550 1.00 0.00 H new ATOM 0 HB3 HIS B 25 17.205 7.802 -18.150 1.00 0.00 H new ATOM 0 HD2 HIS B 25 16.261 5.229 -16.276 1.00 0.00 H new ATOM 0 HE1 HIS B 25 20.214 3.845 -16.824 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.113 3.590 -15.382 1.00 0.00 H new ATOM 1876 N LYS B 26 14.579 7.430 -20.922 1.00 0.00 N ATOM 1877 CA LYS B 26 13.953 8.579 -21.648 1.00 0.00 C ATOM 1878 C LYS B 26 12.761 8.101 -22.480 1.00 0.00 C ATOM 1879 O LYS B 26 12.709 6.982 -22.949 1.00 0.00 O ATOM 1880 CB LYS B 26 15.008 9.235 -22.546 1.00 0.00 C ATOM 1881 CG LYS B 26 14.391 10.421 -23.295 1.00 0.00 C ATOM 1882 CD LYS B 26 15.506 11.343 -23.802 1.00 0.00 C ATOM 1883 CE LYS B 26 16.405 10.579 -24.775 1.00 0.00 C ATOM 1884 NZ LYS B 26 17.233 11.548 -25.547 1.00 0.00 N ATOM 0 H LYS B 26 14.551 6.535 -21.410 1.00 0.00 H new ATOM 0 HA LYS B 26 13.586 9.309 -20.927 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.851 9.573 -21.944 1.00 0.00 H new ATOM 0 HB3 LYS B 26 15.396 8.506 -23.258 1.00 0.00 H new ATOM 0 HG2 LYS B 26 13.791 10.064 -24.132 1.00 0.00 H new ATOM 0 HG3 LYS B 26 13.721 10.972 -22.635 1.00 0.00 H new ATOM 0 HD2 LYS B 26 15.075 12.213 -24.297 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.094 11.713 -22.963 1.00 0.00 H new ATOM 0 HE2 LYS B 26 17.048 9.889 -24.228 1.00 0.00 H new ATOM 0 HE3 LYS B 26 15.798 9.980 -25.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 17.201 11.304 -26.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 16.860 12.509 -25.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 18.217 11.508 -25.212 1.00 0.00 H new ATOM 1898 N LEU B 27 11.795 8.962 -22.643 1.00 0.00 N ATOM 1899 CA LEU B 27 10.564 8.626 -23.424 1.00 0.00 C ATOM 1900 C LEU B 27 10.460 9.544 -24.645 1.00 0.00 C ATOM 1901 O LEU B 27 10.675 10.735 -24.553 1.00 0.00 O ATOM 1902 CB LEU B 27 9.331 8.858 -22.539 1.00 0.00 C ATOM 1903 CG LEU B 27 9.159 7.706 -21.537 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.063 8.086 -20.535 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.764 6.404 -22.272 1.00 0.00 C ATOM 0 H LEU B 27 11.805 9.907 -22.260 1.00 0.00 H new ATOM 0 HA LEU B 27 10.615 7.586 -23.745 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.434 9.801 -22.003 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.440 8.941 -23.162 1.00 0.00 H new ATOM 0 HG LEU B 27 10.102 7.535 -21.017 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.930 7.277 -19.817 1.00 0.00 H new ATOM 0 HD12 LEU B 27 8.352 8.995 -20.008 1.00 0.00 H new ATOM 0 HD13 LEU B 27 7.127 8.257 -21.067 1.00 0.00 H new ATOM 0 HD21 LEU B 27 8.646 5.598 -21.547 1.00 0.00 H new ATOM 0 HD22 LEU B 27 7.823 6.556 -22.801 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.543 6.139 -22.986 1.00 0.00 H new ATOM 1917 N LYS B 28 10.098 9.003 -25.780 1.00 0.00 N ATOM 1918 CA LYS B 28 9.937 9.841 -27.004 1.00 0.00 C ATOM 1919 C LYS B 28 8.444 10.074 -27.209 1.00 0.00 C ATOM 1920 O LYS B 28 7.630 9.291 -26.761 1.00 0.00 O ATOM 1921 CB LYS B 28 10.509 9.103 -28.219 1.00 0.00 C ATOM 1922 CG LYS B 28 12.028 9.014 -28.083 1.00 0.00 C ATOM 1923 CD LYS B 28 12.624 8.315 -29.314 1.00 0.00 C ATOM 1924 CE LYS B 28 12.183 6.842 -29.367 1.00 0.00 C ATOM 1925 NZ LYS B 28 10.925 6.731 -30.159 1.00 0.00 N ATOM 0 H LYS B 28 9.906 8.010 -25.911 1.00 0.00 H new ATOM 0 HA LYS B 28 10.466 10.787 -26.890 1.00 0.00 H new ATOM 0 HB2 LYS B 28 10.079 8.104 -28.288 1.00 0.00 H new ATOM 0 HB3 LYS B 28 10.244 9.628 -29.137 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.452 10.013 -27.981 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.289 8.463 -27.179 1.00 0.00 H new ATOM 0 HD2 LYS B 28 12.305 8.829 -30.221 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.712 8.374 -29.281 1.00 0.00 H new ATOM 0 HE2 LYS B 28 12.965 6.233 -29.819 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.025 6.461 -28.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.249 6.124 -29.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.512 7.677 -30.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.136 6.315 -31.089 1.00 0.00 H new ATOM 1939 N LYS B 29 8.060 11.127 -27.884 1.00 0.00 N ATOM 1940 CA LYS B 29 6.606 11.362 -28.103 1.00 0.00 C ATOM 1941 C LYS B 29 6.004 10.070 -28.640 1.00 0.00 C ATOM 1942 O LYS B 29 4.823 9.811 -28.526 1.00 0.00 O ATOM 1943 CB LYS B 29 6.406 12.499 -29.114 1.00 0.00 C ATOM 1944 CG LYS B 29 6.862 12.069 -30.512 1.00 0.00 C ATOM 1945 CD LYS B 29 6.798 13.275 -31.451 1.00 0.00 C ATOM 1946 CE LYS B 29 7.129 12.830 -32.876 1.00 0.00 C ATOM 1947 NZ LYS B 29 8.570 12.455 -32.955 1.00 0.00 N ATOM 0 H LYS B 29 8.684 11.826 -28.288 1.00 0.00 H new ATOM 0 HA LYS B 29 6.120 11.648 -27.170 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.355 12.787 -29.142 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.969 13.377 -28.797 1.00 0.00 H new ATOM 0 HG2 LYS B 29 7.878 11.677 -30.472 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.225 11.267 -30.885 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.804 13.721 -31.420 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.502 14.041 -31.125 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.505 11.982 -33.158 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.912 13.634 -33.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.847 12.349 -33.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 9.147 13.199 -32.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.723 11.556 -32.456 1.00 0.00 H new ATOM 1961 N SER B 30 6.840 9.255 -29.214 1.00 0.00 N ATOM 1962 CA SER B 30 6.367 7.952 -29.762 1.00 0.00 C ATOM 1963 C SER B 30 6.127 6.971 -28.612 1.00 0.00 C ATOM 1964 O SER B 30 5.077 6.369 -28.510 1.00 0.00 O ATOM 1965 CB SER B 30 7.422 7.376 -30.707 1.00 0.00 C ATOM 1966 OG SER B 30 7.596 8.256 -31.810 1.00 0.00 O ATOM 0 H SER B 30 7.837 9.435 -29.329 1.00 0.00 H new ATOM 0 HA SER B 30 5.438 8.109 -30.309 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.367 7.245 -30.179 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.114 6.391 -31.058 1.00 0.00 H new ATOM 0 HG SER B 30 8.273 7.890 -32.417 1.00 0.00 H new ATOM 1972 N GLU B 31 7.085 6.811 -27.733 1.00 0.00 N ATOM 1973 CA GLU B 31 6.886 5.878 -26.593 1.00 0.00 C ATOM 1974 C GLU B 31 5.796 6.454 -25.693 1.00 0.00 C ATOM 1975 O GLU B 31 4.999 5.737 -25.128 1.00 0.00 O ATOM 1976 CB GLU B 31 8.192 5.730 -25.809 1.00 0.00 C ATOM 1977 CG GLU B 31 9.229 5.014 -26.676 1.00 0.00 C ATOM 1978 CD GLU B 31 10.533 4.869 -25.890 1.00 0.00 C ATOM 1979 OE1 GLU B 31 10.586 4.015 -25.021 1.00 0.00 O ATOM 1980 OE2 GLU B 31 11.455 5.618 -26.168 1.00 0.00 O ATOM 0 H GLU B 31 7.988 7.284 -27.759 1.00 0.00 H new ATOM 0 HA GLU B 31 6.590 4.894 -26.956 1.00 0.00 H new ATOM 0 HB2 GLU B 31 8.564 6.711 -25.513 1.00 0.00 H new ATOM 0 HB3 GLU B 31 8.017 5.166 -24.893 1.00 0.00 H new ATOM 0 HG2 GLU B 31 8.858 4.032 -26.971 1.00 0.00 H new ATOM 0 HG3 GLU B 31 9.404 5.577 -27.593 1.00 0.00 H new ATOM 1987 N LEU B 32 5.759 7.753 -25.568 1.00 0.00 N ATOM 1988 CA LEU B 32 4.723 8.406 -24.719 1.00 0.00 C ATOM 1989 C LEU B 32 3.337 8.058 -25.249 1.00 0.00 C ATOM 1990 O LEU B 32 2.425 7.824 -24.494 1.00 0.00 O ATOM 1991 CB LEU B 32 4.918 9.925 -24.769 1.00 0.00 C ATOM 1992 CG LEU B 32 3.836 10.634 -23.939 1.00 0.00 C ATOM 1993 CD1 LEU B 32 3.905 10.174 -22.474 1.00 0.00 C ATOM 1994 CD2 LEU B 32 4.064 12.147 -24.022 1.00 0.00 C ATOM 0 H LEU B 32 6.408 8.395 -26.022 1.00 0.00 H new ATOM 0 HA LEU B 32 4.817 8.055 -23.691 1.00 0.00 H new ATOM 0 HB2 LEU B 32 5.906 10.184 -24.387 1.00 0.00 H new ATOM 0 HB3 LEU B 32 4.876 10.269 -25.802 1.00 0.00 H new ATOM 0 HG LEU B 32 2.851 10.385 -24.333 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.134 10.683 -21.896 1.00 0.00 H new ATOM 0 HD12 LEU B 32 3.745 9.097 -22.423 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.885 10.415 -22.063 1.00 0.00 H new ATOM 0 HD21 LEU B 32 3.302 12.662 -23.437 1.00 0.00 H new ATOM 0 HD22 LEU B 32 5.051 12.389 -23.626 1.00 0.00 H new ATOM 0 HD23 LEU B 32 4.001 12.468 -25.062 1.00 0.00 H new ATOM 2006 N LYS B 33 3.167 8.035 -26.537 1.00 0.00 N ATOM 2007 CA LYS B 33 1.827 7.709 -27.104 1.00 0.00 C ATOM 2008 C LYS B 33 1.404 6.312 -26.654 1.00 0.00 C ATOM 2009 O LYS B 33 0.253 6.068 -26.352 1.00 0.00 O ATOM 2010 CB LYS B 33 1.891 7.759 -28.634 1.00 0.00 C ATOM 2011 CG LYS B 33 0.509 7.454 -29.222 1.00 0.00 C ATOM 2012 CD LYS B 33 0.580 7.511 -30.746 1.00 0.00 C ATOM 2013 CE LYS B 33 -0.813 7.271 -31.330 1.00 0.00 C ATOM 2014 NZ LYS B 33 -0.728 7.221 -32.816 1.00 0.00 N ATOM 0 H LYS B 33 3.895 8.227 -27.225 1.00 0.00 H new ATOM 0 HA LYS B 33 1.098 8.438 -26.748 1.00 0.00 H new ATOM 0 HB2 LYS B 33 2.226 8.743 -28.961 1.00 0.00 H new ATOM 0 HB3 LYS B 33 2.620 7.036 -29.000 1.00 0.00 H new ATOM 0 HG2 LYS B 33 0.174 6.468 -28.900 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -0.222 8.175 -28.854 1.00 0.00 H new ATOM 0 HD2 LYS B 33 0.959 8.481 -31.067 1.00 0.00 H new ATOM 0 HD3 LYS B 33 1.276 6.759 -31.117 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -1.223 6.336 -30.947 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -1.490 8.067 -31.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -1.444 7.854 -33.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 0.218 7.527 -33.120 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -0.899 6.248 -33.141 1.00 0.00 H new ATOM 2028 N GLU B 34 2.319 5.389 -26.627 1.00 0.00 N ATOM 2029 CA GLU B 34 1.964 4.009 -26.219 1.00 0.00 C ATOM 2030 C GLU B 34 1.604 4.008 -24.727 1.00 0.00 C ATOM 2031 O GLU B 34 0.728 3.299 -24.292 1.00 0.00 O ATOM 2032 CB GLU B 34 3.153 3.076 -26.507 1.00 0.00 C ATOM 2033 CG GLU B 34 2.658 1.641 -26.762 1.00 0.00 C ATOM 2034 CD GLU B 34 2.206 1.499 -28.219 1.00 0.00 C ATOM 2035 OE1 GLU B 34 2.072 2.517 -28.879 1.00 0.00 O ATOM 2036 OE2 GLU B 34 2.004 0.376 -28.650 1.00 0.00 O ATOM 0 H GLU B 34 3.299 5.532 -26.871 1.00 0.00 H new ATOM 0 HA GLU B 34 1.103 3.650 -26.783 1.00 0.00 H new ATOM 0 HB2 GLU B 34 3.705 3.437 -27.375 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.843 3.085 -25.664 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.454 0.928 -26.548 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.832 1.407 -26.091 1.00 0.00 H new ATOM 2043 N LEU B 35 2.264 4.809 -23.941 1.00 0.00 N ATOM 2044 CA LEU B 35 1.931 4.870 -22.488 1.00 0.00 C ATOM 2045 C LEU B 35 0.481 5.325 -22.346 1.00 0.00 C ATOM 2046 O LEU B 35 -0.303 4.748 -21.631 1.00 0.00 O ATOM 2047 CB LEU B 35 2.864 5.894 -21.805 1.00 0.00 C ATOM 2048 CG LEU B 35 2.523 6.088 -20.303 1.00 0.00 C ATOM 2049 CD1 LEU B 35 1.214 6.892 -20.111 1.00 0.00 C ATOM 2050 CD2 LEU B 35 2.405 4.725 -19.613 1.00 0.00 C ATOM 0 H LEU B 35 3.020 5.425 -24.239 1.00 0.00 H new ATOM 0 HA LEU B 35 2.061 3.893 -22.022 1.00 0.00 H new ATOM 0 HB2 LEU B 35 3.898 5.562 -21.901 1.00 0.00 H new ATOM 0 HB3 LEU B 35 2.788 6.852 -22.320 1.00 0.00 H new ATOM 0 HG LEU B 35 3.333 6.659 -19.850 1.00 0.00 H new ATOM 0 HD11 LEU B 35 1.010 7.006 -19.046 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.321 7.876 -20.568 1.00 0.00 H new ATOM 0 HD13 LEU B 35 0.388 6.361 -20.584 1.00 0.00 H new ATOM 0 HD21 LEU B 35 2.166 4.870 -18.560 1.00 0.00 H new ATOM 0 HD22 LEU B 35 1.615 4.144 -20.088 1.00 0.00 H new ATOM 0 HD23 LEU B 35 3.351 4.190 -19.700 1.00 0.00 H new ATOM 2062 N ILE B 36 0.140 6.385 -23.009 1.00 0.00 N ATOM 2063 CA ILE B 36 -1.234 6.941 -22.905 1.00 0.00 C ATOM 2064 C ILE B 36 -2.255 6.086 -23.665 1.00 0.00 C ATOM 2065 O ILE B 36 -3.324 5.794 -23.167 1.00 0.00 O ATOM 2066 CB ILE B 36 -1.219 8.354 -23.501 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -0.131 9.184 -22.812 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -2.573 9.031 -23.285 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -0.097 10.589 -23.414 1.00 0.00 C ATOM 0 H ILE B 36 0.764 6.901 -23.630 1.00 0.00 H new ATOM 0 HA ILE B 36 -1.529 6.952 -21.856 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.017 8.285 -24.570 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -0.327 9.241 -21.741 1.00 0.00 H new ATOM 0 HG13 ILE B 36 0.839 8.702 -22.933 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.551 10.034 -23.712 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -3.354 8.446 -23.772 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.781 9.096 -22.217 1.00 0.00 H new ATOM 0 HD11 ILE B 36 0.678 11.177 -22.922 1.00 0.00 H new ATOM 0 HD12 ILE B 36 0.120 10.523 -24.480 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.064 11.070 -23.270 1.00 0.00 H new ATOM 2081 N ASN B 37 -1.965 5.739 -24.885 1.00 0.00 N ATOM 2082 CA ASN B 37 -2.956 4.968 -25.697 1.00 0.00 C ATOM 2083 C ASN B 37 -3.184 3.545 -25.172 1.00 0.00 C ATOM 2084 O ASN B 37 -4.287 3.036 -25.210 1.00 0.00 O ATOM 2085 CB ASN B 37 -2.452 4.885 -27.138 1.00 0.00 C ATOM 2086 CG ASN B 37 -3.501 4.190 -28.006 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -4.599 4.825 -28.312 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -3.319 3.060 -28.412 1.00 0.00 N flip ATOM 0 H ASN B 37 -1.087 5.953 -25.359 1.00 0.00 H new ATOM 0 HA ASN B 37 -3.908 5.494 -25.632 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -2.251 5.885 -27.522 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -1.512 4.335 -27.175 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.460 2.564 -28.172 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -4.025 2.607 -28.993 1.00 0.00 H new ATOM 2095 N ASN B 38 -2.151 2.879 -24.748 1.00 0.00 N ATOM 2096 CA ASN B 38 -2.299 1.454 -24.292 1.00 0.00 C ATOM 2097 C ASN B 38 -2.423 1.317 -22.767 1.00 0.00 C ATOM 2098 O ASN B 38 -3.129 0.453 -22.287 1.00 0.00 O ATOM 2099 CB ASN B 38 -1.085 0.656 -24.768 1.00 0.00 C ATOM 2100 CG ASN B 38 -1.066 0.632 -26.299 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -2.076 1.131 -26.960 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 -0.120 0.162 -26.899 1.00 0.00 N flip ATOM 0 H ASN B 38 -1.204 3.253 -24.694 1.00 0.00 H new ATOM 0 HA ASN B 38 -3.224 1.070 -24.723 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -0.168 1.106 -24.388 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -1.127 -0.361 -24.377 1.00 0.00 H new ATOM 0 HD21 ASN B 38 0.669 -0.228 -26.383 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -0.114 0.157 -27.919 1.00 0.00 H new ATOM 2109 N GLU B 39 -1.747 2.121 -21.986 1.00 0.00 N ATOM 2110 CA GLU B 39 -1.870 1.944 -20.502 1.00 0.00 C ATOM 2111 C GLU B 39 -3.166 2.599 -20.025 1.00 0.00 C ATOM 2112 O GLU B 39 -3.579 2.420 -18.898 1.00 0.00 O ATOM 2113 CB GLU B 39 -0.672 2.583 -19.773 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.584 2.034 -18.347 1.00 0.00 C ATOM 2115 CD GLU B 39 0.592 2.692 -17.622 1.00 0.00 C ATOM 2116 OE1 GLU B 39 1.720 2.354 -17.936 1.00 0.00 O ATOM 2117 OE2 GLU B 39 0.344 3.529 -16.770 1.00 0.00 O ATOM 0 H GLU B 39 -1.131 2.873 -22.297 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.883 0.878 -20.275 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.251 2.370 -20.313 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.784 3.667 -19.750 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.513 2.232 -17.811 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.453 0.952 -18.369 1.00 0.00 H new ATOM 2124 N LEU B 40 -3.815 3.352 -20.880 1.00 0.00 N ATOM 2125 CA LEU B 40 -5.095 4.028 -20.489 1.00 0.00 C ATOM 2126 C LEU B 40 -6.127 3.834 -21.608 1.00 0.00 C ATOM 2127 O LEU B 40 -6.679 4.784 -22.127 1.00 0.00 O ATOM 2128 CB LEU B 40 -4.853 5.540 -20.272 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.471 5.805 -19.633 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.154 7.307 -19.700 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.468 5.361 -18.157 1.00 0.00 C ATOM 0 H LEU B 40 -3.512 3.529 -21.838 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.464 3.591 -19.561 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.920 6.061 -21.227 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.636 5.947 -19.631 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.719 5.237 -20.181 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.179 7.494 -19.249 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.140 7.630 -20.741 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.917 7.865 -19.157 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.488 5.554 -17.721 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.226 5.919 -17.608 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.688 4.295 -18.097 1.00 0.00 H new ATOM 2143 N SER B 41 -6.384 2.614 -21.989 1.00 0.00 N ATOM 2144 CA SER B 41 -7.371 2.365 -23.078 1.00 0.00 C ATOM 2145 C SER B 41 -8.757 2.871 -22.669 1.00 0.00 C ATOM 2146 O SER B 41 -9.481 3.423 -23.474 1.00 0.00 O ATOM 2147 CB SER B 41 -7.451 0.865 -23.357 1.00 0.00 C ATOM 2148 OG SER B 41 -8.043 0.212 -22.241 1.00 0.00 O ATOM 0 H SER B 41 -5.954 1.778 -21.594 1.00 0.00 H new ATOM 0 HA SER B 41 -7.047 2.897 -23.973 1.00 0.00 H new ATOM 0 HB2 SER B 41 -8.040 0.681 -24.255 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.454 0.464 -23.542 1.00 0.00 H new ATOM 0 HG SER B 41 -8.098 -0.751 -22.416 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.140 2.674 -21.429 1.00 0.00 N ATOM 2155 CA HIS B 42 -10.493 3.131 -20.969 1.00 0.00 C ATOM 2156 C HIS B 42 -10.369 3.905 -19.655 1.00 0.00 C ATOM 2157 O HIS B 42 -11.253 4.651 -19.282 1.00 0.00 O ATOM 2158 CB HIS B 42 -11.383 1.903 -20.748 1.00 0.00 C ATOM 2159 CG HIS B 42 -12.793 2.341 -20.458 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -13.570 3.006 -21.396 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -13.583 2.212 -19.340 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -14.768 3.250 -20.832 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -14.825 2.787 -19.582 1.00 0.00 N ATOM 0 H HIS B 42 -8.574 2.216 -20.714 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.930 3.783 -21.726 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.365 1.266 -21.632 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.999 1.309 -19.919 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.285 1.737 -18.417 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -15.581 3.757 -21.329 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -15.615 2.843 -18.939 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.289 3.735 -18.941 1.00 0.00 N ATOM 2173 CA PHE B 43 -9.139 4.467 -17.652 1.00 0.00 C ATOM 2174 C PHE B 43 -9.060 5.976 -17.917 1.00 0.00 C ATOM 2175 O PHE B 43 -9.628 6.767 -17.190 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.879 3.978 -16.920 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.569 4.872 -15.730 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.572 5.202 -14.802 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.271 5.376 -15.555 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.274 6.028 -13.712 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.979 6.204 -14.465 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.980 6.530 -13.544 1.00 0.00 C ATOM 0 H PHE B 43 -8.510 3.126 -19.192 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.006 4.271 -17.020 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.024 2.952 -16.582 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.033 3.972 -17.607 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.573 4.818 -14.930 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.495 5.124 -16.263 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.046 6.278 -12.999 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.979 6.592 -14.335 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.753 7.169 -12.703 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.364 6.381 -18.955 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.249 7.844 -19.280 1.00 0.00 C ATOM 2194 C LEU B 44 -8.562 8.046 -20.766 1.00 0.00 C ATOM 2195 O LEU B 44 -8.621 7.105 -21.531 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.819 8.342 -18.981 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.827 9.864 -18.700 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.131 10.127 -17.220 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.457 10.465 -19.041 1.00 0.00 C ATOM 0 H LEU B 44 -7.868 5.760 -19.594 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.953 8.410 -18.669 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.413 7.809 -18.121 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.167 8.125 -19.827 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.597 10.326 -19.318 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.134 11.201 -17.034 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.108 9.713 -16.970 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.368 9.654 -16.602 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.470 11.536 -18.841 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.689 9.991 -18.430 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.237 10.295 -20.095 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.769 9.266 -21.176 1.00 0.00 N ATOM 2212 CA GLU B 45 -9.084 9.527 -22.605 1.00 0.00 C ATOM 2213 C GLU B 45 -8.022 8.871 -23.488 1.00 0.00 C ATOM 2214 O GLU B 45 -6.906 9.341 -23.597 1.00 0.00 O ATOM 2215 CB GLU B 45 -9.085 11.041 -22.844 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.412 11.344 -24.310 1.00 0.00 C ATOM 2217 CD GLU B 45 -9.408 12.857 -24.530 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -9.346 13.579 -23.547 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -9.471 13.270 -25.676 1.00 0.00 O ATOM 0 H GLU B 45 -8.733 10.094 -20.581 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.062 9.113 -22.851 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.818 11.519 -22.194 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.111 11.458 -22.587 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.680 10.869 -24.963 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.387 10.930 -24.570 1.00 0.00 H new ATOM 2226 N GLU B 46 -8.371 7.792 -24.129 1.00 0.00 N ATOM 2227 CA GLU B 46 -7.400 7.100 -25.020 1.00 0.00 C ATOM 2228 C GLU B 46 -7.080 8.016 -26.205 1.00 0.00 C ATOM 2229 O GLU B 46 -7.948 8.683 -26.734 1.00 0.00 O ATOM 2230 CB GLU B 46 -8.027 5.795 -25.524 1.00 0.00 C ATOM 2231 CG GLU B 46 -7.025 5.036 -26.395 1.00 0.00 C ATOM 2232 CD GLU B 46 -7.667 3.738 -26.888 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -8.734 3.405 -26.398 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -7.080 3.097 -27.744 1.00 0.00 O ATOM 0 H GLU B 46 -9.292 7.357 -24.074 1.00 0.00 H new ATOM 0 HA GLU B 46 -6.482 6.872 -24.478 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -8.328 5.176 -24.679 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -8.928 6.012 -26.097 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.723 5.651 -27.243 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.123 4.815 -25.824 1.00 0.00 H new ATOM 2241 N ILE B 47 -5.844 8.065 -26.623 1.00 0.00 N ATOM 2242 CA ILE B 47 -5.479 8.952 -27.768 1.00 0.00 C ATOM 2243 C ILE B 47 -5.805 8.241 -29.079 1.00 0.00 C ATOM 2244 O ILE B 47 -5.577 7.057 -29.228 1.00 0.00 O ATOM 2245 CB ILE B 47 -3.978 9.281 -27.724 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -3.597 9.854 -26.340 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -3.633 10.293 -28.836 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -3.938 11.349 -26.239 1.00 0.00 C ATOM 0 H ILE B 47 -5.072 7.531 -26.223 1.00 0.00 H new ATOM 0 HA ILE B 47 -6.048 9.879 -27.698 1.00 0.00 H new ATOM 0 HB ILE B 47 -3.408 8.366 -27.888 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -4.124 9.305 -25.560 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -2.531 9.710 -26.166 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -2.568 10.523 -28.801 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -3.880 9.864 -29.807 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -4.207 11.208 -28.687 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -3.657 11.720 -25.253 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -3.390 11.900 -27.004 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.009 11.489 -26.388 1.00 0.00 H new ATOM 2260 N LYS B 48 -6.355 8.959 -30.025 1.00 0.00 N ATOM 2261 CA LYS B 48 -6.729 8.346 -31.335 1.00 0.00 C ATOM 2262 C LYS B 48 -5.800 8.861 -32.442 1.00 0.00 C ATOM 2263 O LYS B 48 -5.703 8.276 -33.503 1.00 0.00 O ATOM 2264 CB LYS B 48 -8.183 8.733 -31.645 1.00 0.00 C ATOM 2265 CG LYS B 48 -9.022 8.694 -30.339 1.00 0.00 C ATOM 2266 CD LYS B 48 -9.119 10.089 -29.704 1.00 0.00 C ATOM 2267 CE LYS B 48 -10.173 10.064 -28.595 1.00 0.00 C ATOM 2268 NZ LYS B 48 -11.512 9.795 -29.191 1.00 0.00 N ATOM 0 H LYS B 48 -6.563 9.954 -29.944 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.631 7.262 -31.285 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.219 9.731 -32.083 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.604 8.047 -32.380 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.022 8.319 -30.556 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.568 8.000 -29.632 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.152 10.384 -29.297 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.386 10.828 -30.459 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.928 9.295 -27.862 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -10.183 11.017 -28.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -12.249 10.225 -28.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.555 10.204 -30.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.667 8.768 -29.247 1.00 0.00 H new ATOM 2282 N GLU B 49 -5.116 9.953 -32.201 1.00 0.00 N ATOM 2283 CA GLU B 49 -4.187 10.517 -33.234 1.00 0.00 C ATOM 2284 C GLU B 49 -2.870 10.933 -32.579 1.00 0.00 C ATOM 2285 O GLU B 49 -2.846 11.449 -31.479 1.00 0.00 O ATOM 2286 CB GLU B 49 -4.832 11.741 -33.891 1.00 0.00 C ATOM 2287 CG GLU B 49 -5.928 11.286 -34.851 1.00 0.00 C ATOM 2288 CD GLU B 49 -6.575 12.506 -35.510 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -6.297 13.610 -35.071 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -7.340 12.315 -36.440 1.00 0.00 O ATOM 0 H GLU B 49 -5.160 10.481 -31.330 1.00 0.00 H new ATOM 0 HA GLU B 49 -3.991 9.755 -33.988 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.251 12.397 -33.129 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.079 12.317 -34.429 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.508 10.629 -35.613 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.680 10.710 -34.313 1.00 0.00 H new ATOM 2297 N GLN B 50 -1.776 10.728 -33.257 1.00 0.00 N ATOM 2298 CA GLN B 50 -0.460 11.127 -32.688 1.00 0.00 C ATOM 2299 C GLN B 50 -0.424 12.647 -32.564 1.00 0.00 C ATOM 2300 O GLN B 50 0.361 13.198 -31.825 1.00 0.00 O ATOM 2301 CB GLN B 50 0.666 10.666 -33.621 1.00 0.00 C ATOM 2302 CG GLN B 50 0.460 11.255 -35.026 1.00 0.00 C ATOM 2303 CD GLN B 50 0.949 12.708 -35.065 1.00 0.00 C ATOM 2304 OE1 GLN B 50 2.046 13.035 -34.438 1.00 0.00 O flip ATOM 2305 NE2 GLN B 50 0.325 13.554 -35.675 1.00 0.00 N flip ATOM 0 H GLN B 50 -1.737 10.301 -34.182 1.00 0.00 H new ATOM 0 HA GLN B 50 -0.324 10.667 -31.709 1.00 0.00 H new ATOM 0 HB2 GLN B 50 1.631 10.981 -33.223 1.00 0.00 H new ATOM 0 HB3 GLN B 50 0.683 9.577 -33.673 1.00 0.00 H new ATOM 0 HG2 GLN B 50 1.003 10.661 -35.761 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -0.595 11.211 -35.296 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -0.533 13.300 -36.166 1.00 0.00 H new ATOM 0 HE22 GLN B 50 0.659 14.518 -35.696 1.00 0.00 H new ATOM 2314 N GLU B 51 -1.266 13.327 -33.297 1.00 0.00 N ATOM 2315 CA GLU B 51 -1.284 14.819 -33.237 1.00 0.00 C ATOM 2316 C GLU B 51 -1.595 15.276 -31.815 1.00 0.00 C ATOM 2317 O GLU B 51 -1.029 16.231 -31.332 1.00 0.00 O ATOM 2318 CB GLU B 51 -2.339 15.356 -34.215 1.00 0.00 C ATOM 2319 CG GLU B 51 -3.762 15.072 -33.688 1.00 0.00 C ATOM 2320 CD GLU B 51 -4.259 16.245 -32.832 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -3.433 17.021 -32.382 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -5.461 16.353 -32.655 1.00 0.00 O ATOM 0 H GLU B 51 -1.944 12.912 -33.936 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.306 15.208 -33.521 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -2.203 16.429 -34.352 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.207 14.891 -35.192 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -4.441 14.911 -34.525 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -3.762 14.156 -33.097 1.00 0.00 H new ATOM 2329 N VAL B 52 -2.479 14.606 -31.135 1.00 0.00 N ATOM 2330 CA VAL B 52 -2.801 15.012 -29.742 1.00 0.00 C ATOM 2331 C VAL B 52 -1.532 14.926 -28.926 1.00 0.00 C ATOM 2332 O VAL B 52 -1.268 15.744 -28.078 1.00 0.00 O ATOM 2333 CB VAL B 52 -3.843 14.066 -29.158 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -4.197 14.501 -27.733 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -5.090 14.094 -30.035 1.00 0.00 C ATOM 0 H VAL B 52 -2.992 13.796 -31.483 1.00 0.00 H new ATOM 0 HA VAL B 52 -3.199 16.027 -29.727 1.00 0.00 H new ATOM 0 HB VAL B 52 -3.442 13.053 -29.127 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -4.942 13.822 -27.320 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -3.301 14.478 -27.112 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.600 15.514 -27.751 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -5.840 13.419 -29.623 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.491 15.107 -30.065 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -4.832 13.776 -31.045 1.00 0.00 H new ATOM 2345 N VAL B 53 -0.754 13.923 -29.178 1.00 0.00 N ATOM 2346 CA VAL B 53 0.511 13.748 -28.433 1.00 0.00 C ATOM 2347 C VAL B 53 1.483 14.868 -28.794 1.00 0.00 C ATOM 2348 O VAL B 53 2.285 15.274 -27.988 1.00 0.00 O ATOM 2349 CB VAL B 53 1.111 12.401 -28.800 1.00 0.00 C ATOM 2350 CG1 VAL B 53 2.330 12.132 -27.929 1.00 0.00 C ATOM 2351 CG2 VAL B 53 0.069 11.311 -28.574 1.00 0.00 C ATOM 0 H VAL B 53 -0.943 13.206 -29.879 1.00 0.00 H new ATOM 0 HA VAL B 53 0.319 13.785 -27.361 1.00 0.00 H new ATOM 0 HB VAL B 53 1.413 12.407 -29.847 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.760 11.166 -28.193 1.00 0.00 H new ATOM 0 HG12 VAL B 53 3.071 12.915 -28.089 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.033 12.123 -26.880 1.00 0.00 H new ATOM 0 HG21 VAL B 53 0.494 10.342 -28.836 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -0.230 11.305 -27.526 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -0.803 11.506 -29.199 1.00 0.00 H new ATOM 2361 N ASP B 54 1.429 15.358 -30.002 1.00 0.00 N ATOM 2362 CA ASP B 54 2.353 16.452 -30.408 1.00 0.00 C ATOM 2363 C ASP B 54 1.991 17.729 -29.645 1.00 0.00 C ATOM 2364 O ASP B 54 2.840 18.502 -29.252 1.00 0.00 O ATOM 2365 CB ASP B 54 2.231 16.700 -31.914 1.00 0.00 C ATOM 2366 CG ASP B 54 3.306 17.694 -32.360 1.00 0.00 C ATOM 2367 OD1 ASP B 54 3.855 18.367 -31.503 1.00 0.00 O ATOM 2368 OD2 ASP B 54 3.561 17.766 -33.551 1.00 0.00 O ATOM 0 H ASP B 54 0.783 15.046 -30.727 1.00 0.00 H new ATOM 0 HA ASP B 54 3.379 16.166 -30.175 1.00 0.00 H new ATOM 0 HB2 ASP B 54 2.341 15.762 -32.457 1.00 0.00 H new ATOM 0 HB3 ASP B 54 1.241 17.090 -32.149 1.00 0.00 H new ATOM 2373 N LYS B 55 0.729 17.946 -29.438 1.00 0.00 N ATOM 2374 CA LYS B 55 0.279 19.161 -28.694 1.00 0.00 C ATOM 2375 C LYS B 55 0.674 19.004 -27.228 1.00 0.00 C ATOM 2376 O LYS B 55 1.122 19.929 -26.569 1.00 0.00 O ATOM 2377 CB LYS B 55 -1.245 19.300 -28.814 1.00 0.00 C ATOM 2378 CG LYS B 55 -1.714 20.546 -28.057 1.00 0.00 C ATOM 2379 CD LYS B 55 -3.230 20.698 -28.198 1.00 0.00 C ATOM 2380 CE LYS B 55 -3.666 22.034 -27.589 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.040 23.155 -28.347 1.00 0.00 N ATOM 0 H LYS B 55 -0.022 17.332 -29.753 1.00 0.00 H new ATOM 0 HA LYS B 55 0.747 20.053 -29.109 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.531 19.372 -29.863 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.733 18.413 -28.410 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.444 20.466 -27.004 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -1.213 21.431 -28.449 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.515 20.655 -29.249 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.737 19.874 -27.696 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -4.752 22.122 -27.619 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.372 22.081 -26.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -3.630 24.007 -28.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -2.093 23.348 -27.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.960 22.893 -29.350 1.00 0.00 H new ATOM 2395 N VAL B 56 0.522 17.817 -26.728 1.00 0.00 N ATOM 2396 CA VAL B 56 0.885 17.538 -25.318 1.00 0.00 C ATOM 2397 C VAL B 56 2.391 17.691 -25.192 1.00 0.00 C ATOM 2398 O VAL B 56 2.915 18.083 -24.169 1.00 0.00 O ATOM 2399 CB VAL B 56 0.453 16.113 -24.959 1.00 0.00 C ATOM 2400 CG1 VAL B 56 1.044 15.712 -23.610 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -1.073 16.058 -24.873 1.00 0.00 C ATOM 0 H VAL B 56 0.156 17.016 -27.243 1.00 0.00 H new ATOM 0 HA VAL B 56 0.386 18.227 -24.637 1.00 0.00 H new ATOM 0 HB VAL B 56 0.810 15.426 -25.726 1.00 0.00 H new ATOM 0 HG11 VAL B 56 0.731 14.697 -23.363 1.00 0.00 H new ATOM 0 HG12 VAL B 56 2.132 15.754 -23.662 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.691 16.398 -22.840 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.387 15.046 -24.618 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -1.419 16.750 -24.105 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -1.502 16.339 -25.835 1.00 0.00 H new ATOM 2411 N MET B 57 3.085 17.392 -26.250 1.00 0.00 N ATOM 2412 CA MET B 57 4.563 17.521 -26.242 1.00 0.00 C ATOM 2413 C MET B 57 4.917 18.990 -26.020 1.00 0.00 C ATOM 2414 O MET B 57 5.851 19.307 -25.336 1.00 0.00 O ATOM 2415 CB MET B 57 5.131 17.009 -27.587 1.00 0.00 C ATOM 2416 CG MET B 57 5.672 15.555 -27.470 1.00 0.00 C ATOM 2417 SD MET B 57 7.491 15.609 -27.385 1.00 0.00 S ATOM 2418 CE MET B 57 7.806 14.297 -26.171 1.00 0.00 C ATOM 0 H MET B 57 2.687 17.060 -27.128 1.00 0.00 H new ATOM 0 HA MET B 57 4.999 16.924 -25.441 1.00 0.00 H new ATOM 0 HB2 MET B 57 4.352 17.047 -28.348 1.00 0.00 H new ATOM 0 HB3 MET B 57 5.932 17.669 -27.918 1.00 0.00 H new ATOM 0 HG2 MET B 57 5.267 15.072 -26.581 1.00 0.00 H new ATOM 0 HG3 MET B 57 5.352 14.963 -28.328 1.00 0.00 H new ATOM 0 HE1 MET B 57 8.557 14.635 -25.457 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.882 14.061 -25.642 1.00 0.00 H new ATOM 0 HE3 MET B 57 8.168 13.406 -26.684 1.00 0.00 H new ATOM 2428 N GLU B 58 4.174 19.903 -26.563 1.00 0.00 N ATOM 2429 CA GLU B 58 4.522 21.327 -26.322 1.00 0.00 C ATOM 2430 C GLU B 58 4.547 21.538 -24.810 1.00 0.00 C ATOM 2431 O GLU B 58 5.397 22.224 -24.277 1.00 0.00 O ATOM 2432 CB GLU B 58 3.472 22.240 -26.959 1.00 0.00 C ATOM 2433 CG GLU B 58 3.840 23.706 -26.706 1.00 0.00 C ATOM 2434 CD GLU B 58 2.803 24.615 -27.367 1.00 0.00 C ATOM 2435 OE1 GLU B 58 1.906 24.091 -28.005 1.00 0.00 O ATOM 2436 OE2 GLU B 58 2.923 25.821 -27.222 1.00 0.00 O ATOM 0 H GLU B 58 3.358 19.735 -27.151 1.00 0.00 H new ATOM 0 HA GLU B 58 5.490 21.567 -26.763 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.413 22.050 -28.031 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.488 22.025 -26.542 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.880 23.902 -25.635 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.832 23.917 -27.106 1.00 0.00 H new ATOM 2443 N THR B 59 3.617 20.943 -24.119 1.00 0.00 N ATOM 2444 CA THR B 59 3.575 21.091 -22.637 1.00 0.00 C ATOM 2445 C THR B 59 4.623 20.195 -21.953 1.00 0.00 C ATOM 2446 O THR B 59 5.298 20.617 -21.035 1.00 0.00 O ATOM 2447 CB THR B 59 2.180 20.698 -22.145 1.00 0.00 C ATOM 2448 OG1 THR B 59 1.203 21.426 -22.876 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.032 21.008 -20.654 1.00 0.00 C ATOM 0 H THR B 59 2.882 20.359 -24.517 1.00 0.00 H new ATOM 0 HA THR B 59 3.799 22.127 -22.384 1.00 0.00 H new ATOM 0 HB THR B 59 2.040 19.628 -22.298 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.308 21.176 -22.565 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.034 20.723 -20.320 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.778 20.447 -20.090 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.179 22.075 -20.488 1.00 0.00 H new ATOM 2457 N LEU B 60 4.742 18.955 -22.361 1.00 0.00 N ATOM 2458 CA LEU B 60 5.720 18.036 -21.696 1.00 0.00 C ATOM 2459 C LEU B 60 7.086 18.097 -22.373 1.00 0.00 C ATOM 2460 O LEU B 60 8.069 17.645 -21.824 1.00 0.00 O ATOM 2461 CB LEU B 60 5.204 16.597 -21.768 1.00 0.00 C ATOM 2462 CG LEU B 60 3.765 16.512 -21.250 1.00 0.00 C ATOM 2463 CD1 LEU B 60 3.372 15.038 -21.129 1.00 0.00 C ATOM 2464 CD2 LEU B 60 3.653 17.189 -19.876 1.00 0.00 C ATOM 0 H LEU B 60 4.206 18.540 -23.123 1.00 0.00 H new ATOM 0 HA LEU B 60 5.825 18.354 -20.659 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.247 16.241 -22.797 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.848 15.945 -21.178 1.00 0.00 H new ATOM 0 HG LEU B 60 3.098 17.023 -21.945 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.349 14.963 -20.761 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.442 14.561 -22.107 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.045 14.538 -20.433 1.00 0.00 H new ATOM 0 HD21 LEU B 60 2.625 17.121 -19.520 1.00 0.00 H new ATOM 0 HD22 LEU B 60 4.316 16.690 -19.169 1.00 0.00 H new ATOM 0 HD23 LEU B 60 3.939 18.237 -19.963 1.00 0.00 H new ATOM 2476 N ASP B 61 7.178 18.648 -23.549 1.00 0.00 N ATOM 2477 CA ASP B 61 8.514 18.714 -24.211 1.00 0.00 C ATOM 2478 C ASP B 61 9.255 19.895 -23.618 1.00 0.00 C ATOM 2479 O ASP B 61 9.608 20.841 -24.294 1.00 0.00 O ATOM 2480 CB ASP B 61 8.383 18.891 -25.725 1.00 0.00 C ATOM 2481 CG ASP B 61 9.751 18.679 -26.371 1.00 0.00 C ATOM 2482 OD1 ASP B 61 10.719 18.558 -25.635 1.00 0.00 O ATOM 2483 OD2 ASP B 61 9.811 18.647 -27.589 1.00 0.00 O ATOM 0 H ASP B 61 6.402 19.050 -24.075 1.00 0.00 H new ATOM 0 HA ASP B 61 9.053 17.782 -24.042 1.00 0.00 H new ATOM 0 HB2 ASP B 61 7.663 18.178 -26.126 1.00 0.00 H new ATOM 0 HB3 ASP B 61 8.008 19.888 -25.956 1.00 0.00 H new ATOM 2488 N GLU B 62 9.473 19.838 -22.345 1.00 0.00 N ATOM 2489 CA GLU B 62 10.173 20.940 -21.649 1.00 0.00 C ATOM 2490 C GLU B 62 11.565 21.101 -22.258 1.00 0.00 C ATOM 2491 O GLU B 62 12.047 22.199 -22.454 1.00 0.00 O ATOM 2492 CB GLU B 62 10.291 20.579 -20.173 1.00 0.00 C ATOM 2493 CG GLU B 62 8.907 20.183 -19.643 1.00 0.00 C ATOM 2494 CD GLU B 62 8.980 19.967 -18.131 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.060 20.112 -17.583 1.00 0.00 O ATOM 2496 OE2 GLU B 62 7.955 19.655 -17.547 1.00 0.00 O ATOM 0 H GLU B 62 9.192 19.062 -21.746 1.00 0.00 H new ATOM 0 HA GLU B 62 9.623 21.875 -21.755 1.00 0.00 H new ATOM 0 HB2 GLU B 62 10.994 19.756 -20.042 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.682 21.425 -19.609 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.181 20.962 -19.875 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.565 19.272 -20.135 1.00 0.00 H new ATOM 2503 N ASP B 63 12.209 20.012 -22.570 1.00 0.00 N ATOM 2504 CA ASP B 63 13.563 20.100 -23.180 1.00 0.00 C ATOM 2505 C ASP B 63 13.416 20.544 -24.636 1.00 0.00 C ATOM 2506 O ASP B 63 14.379 20.885 -25.294 1.00 0.00 O ATOM 2507 CB ASP B 63 14.232 18.726 -23.141 1.00 0.00 C ATOM 2508 CG ASP B 63 14.409 18.282 -21.689 1.00 0.00 C ATOM 2509 OD1 ASP B 63 14.838 19.096 -20.888 1.00 0.00 O ATOM 2510 OD2 ASP B 63 14.110 17.134 -21.403 1.00 0.00 O ATOM 0 H ASP B 63 11.856 19.065 -22.429 1.00 0.00 H new ATOM 0 HA ASP B 63 14.172 20.815 -22.627 1.00 0.00 H new ATOM 0 HB2 ASP B 63 13.626 18.000 -23.682 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.200 18.768 -23.640 1.00 0.00 H new ATOM 2515 N GLY B 64 12.212 20.545 -25.140 1.00 0.00 N ATOM 2516 CA GLY B 64 11.995 20.972 -26.554 1.00 0.00 C ATOM 2517 C GLY B 64 12.762 20.042 -27.497 1.00 0.00 C ATOM 2518 O GLY B 64 13.193 20.449 -28.558 1.00 0.00 O ATOM 0 H GLY B 64 11.369 20.269 -24.636 1.00 0.00 H new ATOM 0 HA2 GLY B 64 10.931 20.950 -26.792 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.331 22.000 -26.689 1.00 0.00 H new ATOM 2522 N ASP B 65 12.943 18.795 -27.121 1.00 0.00 N ATOM 2523 CA ASP B 65 13.690 17.835 -27.996 1.00 0.00 C ATOM 2524 C ASP B 65 12.711 16.847 -28.631 1.00 0.00 C ATOM 2525 O ASP B 65 13.103 15.928 -29.323 1.00 0.00 O ATOM 2526 CB ASP B 65 14.720 17.080 -27.151 1.00 0.00 C ATOM 2527 CG ASP B 65 14.083 16.639 -25.833 1.00 0.00 C ATOM 2528 OD1 ASP B 65 12.878 16.777 -25.705 1.00 0.00 O ATOM 2529 OD2 ASP B 65 14.812 16.176 -24.972 1.00 0.00 O ATOM 0 H ASP B 65 12.604 18.401 -26.243 1.00 0.00 H new ATOM 0 HA ASP B 65 14.202 18.383 -28.787 1.00 0.00 H new ATOM 0 HB2 ASP B 65 15.086 16.211 -27.698 1.00 0.00 H new ATOM 0 HB3 ASP B 65 15.581 17.719 -26.954 1.00 0.00 H new ATOM 2534 N GLY B 66 11.440 17.025 -28.399 1.00 0.00 N ATOM 2535 CA GLY B 66 10.437 16.090 -28.985 1.00 0.00 C ATOM 2536 C GLY B 66 10.363 14.832 -28.121 1.00 0.00 C ATOM 2537 O GLY B 66 9.635 13.904 -28.412 1.00 0.00 O ATOM 0 H GLY B 66 11.052 17.777 -27.829 1.00 0.00 H new ATOM 0 HA2 GLY B 66 9.460 16.570 -29.035 1.00 0.00 H new ATOM 0 HA3 GLY B 66 10.717 15.829 -30.006 1.00 0.00 H new ATOM 2541 N GLU B 67 11.114 14.804 -27.052 1.00 0.00 N ATOM 2542 CA GLU B 67 11.110 13.622 -26.138 1.00 0.00 C ATOM 2543 C GLU B 67 11.098 14.120 -24.691 1.00 0.00 C ATOM 2544 O GLU B 67 11.810 15.040 -24.337 1.00 0.00 O ATOM 2545 CB GLU B 67 12.363 12.774 -26.398 1.00 0.00 C ATOM 2546 CG GLU B 67 13.608 13.666 -26.418 1.00 0.00 C ATOM 2547 CD GLU B 67 14.824 12.836 -26.834 1.00 0.00 C ATOM 2548 OE1 GLU B 67 14.697 11.625 -26.896 1.00 0.00 O ATOM 2549 OE2 GLU B 67 15.860 13.428 -27.090 1.00 0.00 O ATOM 0 H GLU B 67 11.738 15.559 -26.769 1.00 0.00 H new ATOM 0 HA GLU B 67 10.227 13.008 -26.317 1.00 0.00 H new ATOM 0 HB2 GLU B 67 12.464 12.013 -25.624 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.266 12.250 -27.349 1.00 0.00 H new ATOM 0 HG2 GLU B 67 13.464 14.494 -27.113 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.772 14.102 -25.433 1.00 0.00 H new ATOM 2556 N CYS B 68 10.294 13.515 -23.849 1.00 0.00 N ATOM 2557 CA CYS B 68 10.223 13.940 -22.416 1.00 0.00 C ATOM 2558 C CYS B 68 10.992 12.918 -21.584 1.00 0.00 C ATOM 2559 O CYS B 68 10.877 11.730 -21.783 1.00 0.00 O ATOM 2560 CB CYS B 68 8.745 14.021 -21.964 1.00 0.00 C ATOM 2561 SG CYS B 68 7.715 13.018 -23.065 1.00 0.00 S ATOM 0 H CYS B 68 9.680 12.739 -24.096 1.00 0.00 H new ATOM 0 HA CYS B 68 10.665 14.928 -22.284 1.00 0.00 H new ATOM 0 HB2 CYS B 68 8.649 13.667 -20.937 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.407 15.057 -21.977 1.00 0.00 H new ATOM 0 HG CYS B 68 6.817 12.389 -22.366 1.00 0.00 H new ATOM 2567 N ASP B 69 11.781 13.379 -20.665 1.00 0.00 N ATOM 2568 CA ASP B 69 12.579 12.451 -19.823 1.00 0.00 C ATOM 2569 C ASP B 69 11.682 11.843 -18.757 1.00 0.00 C ATOM 2570 O ASP B 69 10.560 12.263 -18.560 1.00 0.00 O ATOM 2571 CB ASP B 69 13.719 13.219 -19.148 1.00 0.00 C ATOM 2572 CG ASP B 69 14.716 12.232 -18.532 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.489 11.039 -18.645 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.694 12.688 -17.963 1.00 0.00 O ATOM 0 H ASP B 69 11.911 14.369 -20.457 1.00 0.00 H new ATOM 0 HA ASP B 69 12.995 11.661 -20.449 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.224 13.853 -19.877 1.00 0.00 H new ATOM 0 HB3 ASP B 69 13.320 13.876 -18.376 1.00 0.00 H new ATOM 2579 N PHE B 70 12.170 10.862 -18.059 1.00 0.00 N ATOM 2580 CA PHE B 70 11.360 10.231 -17.001 1.00 0.00 C ATOM 2581 C PHE B 70 10.825 11.336 -16.089 1.00 0.00 C ATOM 2582 O PHE B 70 9.697 11.304 -15.664 1.00 0.00 O ATOM 2583 CB PHE B 70 12.266 9.268 -16.225 1.00 0.00 C ATOM 2584 CG PHE B 70 11.657 8.903 -14.890 1.00 0.00 C ATOM 2585 CD1 PHE B 70 10.306 8.545 -14.799 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.454 8.920 -13.740 1.00 0.00 C ATOM 2587 CE1 PHE B 70 9.757 8.209 -13.561 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.905 8.583 -12.505 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.555 8.227 -12.412 1.00 0.00 C ATOM 0 H PHE B 70 13.104 10.470 -18.181 1.00 0.00 H new ATOM 0 HA PHE B 70 10.517 9.674 -17.411 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.429 8.365 -16.813 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.242 9.728 -16.069 1.00 0.00 H new ATOM 0 HD1 PHE B 70 9.690 8.529 -15.686 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.496 9.195 -13.810 1.00 0.00 H new ATOM 0 HE1 PHE B 70 8.715 7.935 -13.490 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.522 8.596 -11.619 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.129 7.966 -11.454 1.00 0.00 H new ATOM 2599 N GLN B 71 11.631 12.317 -15.800 1.00 0.00 N ATOM 2600 CA GLN B 71 11.175 13.437 -14.931 1.00 0.00 C ATOM 2601 C GLN B 71 9.989 14.180 -15.564 1.00 0.00 C ATOM 2602 O GLN B 71 8.989 14.428 -14.921 1.00 0.00 O ATOM 2603 CB GLN B 71 12.347 14.413 -14.746 1.00 0.00 C ATOM 2604 CG GLN B 71 11.851 15.736 -14.154 1.00 0.00 C ATOM 2605 CD GLN B 71 13.044 16.554 -13.655 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.173 16.114 -13.735 1.00 0.00 O ATOM 2607 NE2 GLN B 71 12.839 17.736 -13.138 1.00 0.00 N ATOM 0 H GLN B 71 12.593 12.392 -16.130 1.00 0.00 H new ATOM 0 HA GLN B 71 10.850 13.035 -13.972 1.00 0.00 H new ATOM 0 HB2 GLN B 71 13.096 13.971 -14.089 1.00 0.00 H new ATOM 0 HB3 GLN B 71 12.832 14.595 -15.705 1.00 0.00 H new ATOM 0 HG2 GLN B 71 11.300 16.299 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.161 15.543 -13.333 1.00 0.00 H new ATOM 0 HE21 GLN B 71 11.891 18.106 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN B 71 13.627 18.289 -12.802 1.00 0.00 H new ATOM 2616 N GLU B 72 10.107 14.567 -16.802 1.00 0.00 N ATOM 2617 CA GLU B 72 9.002 15.328 -17.449 1.00 0.00 C ATOM 2618 C GLU B 72 7.725 14.487 -17.489 1.00 0.00 C ATOM 2619 O GLU B 72 6.635 14.979 -17.264 1.00 0.00 O ATOM 2620 CB GLU B 72 9.425 15.706 -18.867 1.00 0.00 C ATOM 2621 CG GLU B 72 10.526 16.767 -18.806 1.00 0.00 C ATOM 2622 CD GLU B 72 10.948 17.144 -20.228 1.00 0.00 C ATOM 2623 OE1 GLU B 72 10.184 16.879 -21.139 1.00 0.00 O ATOM 2624 OE2 GLU B 72 12.032 17.682 -20.382 1.00 0.00 O ATOM 0 H GLU B 72 10.919 14.390 -17.394 1.00 0.00 H new ATOM 0 HA GLU B 72 8.798 16.230 -16.872 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.784 14.824 -19.398 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.569 16.087 -19.424 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.167 17.649 -18.275 1.00 0.00 H new ATOM 0 HG3 GLU B 72 11.383 16.387 -18.249 1.00 0.00 H new ATOM 2631 N PHE B 73 7.852 13.225 -17.763 1.00 0.00 N ATOM 2632 CA PHE B 73 6.653 12.345 -17.812 1.00 0.00 C ATOM 2633 C PHE B 73 6.012 12.275 -16.424 1.00 0.00 C ATOM 2634 O PHE B 73 4.806 12.224 -16.285 1.00 0.00 O ATOM 2635 CB PHE B 73 7.070 10.941 -18.266 1.00 0.00 C ATOM 2636 CG PHE B 73 5.914 9.984 -18.081 1.00 0.00 C ATOM 2637 CD1 PHE B 73 4.793 10.075 -18.912 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.960 9.017 -17.068 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.718 9.199 -18.733 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.884 8.142 -16.887 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.763 8.232 -17.720 1.00 0.00 C ATOM 0 H PHE B 73 8.739 12.759 -17.957 1.00 0.00 H new ATOM 0 HA PHE B 73 5.930 12.751 -18.519 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.374 10.962 -19.312 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.931 10.602 -17.690 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.758 10.822 -19.692 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.826 8.947 -16.427 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.853 9.268 -19.376 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.918 7.398 -16.105 1.00 0.00 H new ATOM 0 HZ PHE B 73 2.932 7.556 -17.582 1.00 0.00 H new ATOM 2651 N MET B 74 6.817 12.254 -15.403 1.00 0.00 N ATOM 2652 CA MET B 74 6.284 12.164 -14.018 1.00 0.00 C ATOM 2653 C MET B 74 5.379 13.355 -13.716 1.00 0.00 C ATOM 2654 O MET B 74 4.387 13.240 -13.019 1.00 0.00 O ATOM 2655 CB MET B 74 7.448 12.125 -13.023 1.00 0.00 C ATOM 2656 CG MET B 74 8.085 10.731 -13.036 1.00 0.00 C ATOM 2657 SD MET B 74 6.939 9.536 -12.297 1.00 0.00 S ATOM 2658 CE MET B 74 6.973 10.176 -10.606 1.00 0.00 C ATOM 0 H MET B 74 7.834 12.296 -15.469 1.00 0.00 H new ATOM 0 HA MET B 74 5.696 11.251 -13.924 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.191 12.878 -13.286 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.092 12.365 -12.021 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.323 10.438 -14.058 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.023 10.743 -12.481 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.752 9.369 -9.907 1.00 0.00 H new ATOM 0 HE2 MET B 74 7.961 10.582 -10.390 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.227 10.963 -10.500 1.00 0.00 H new ATOM 2668 N ALA B 75 5.722 14.505 -14.203 1.00 0.00 N ATOM 2669 CA ALA B 75 4.888 15.699 -13.914 1.00 0.00 C ATOM 2670 C ALA B 75 3.513 15.579 -14.574 1.00 0.00 C ATOM 2671 O ALA B 75 2.515 16.018 -14.038 1.00 0.00 O ATOM 2672 CB ALA B 75 5.600 16.953 -14.429 1.00 0.00 C ATOM 0 H ALA B 75 6.541 14.673 -14.787 1.00 0.00 H new ATOM 0 HA ALA B 75 4.745 15.770 -12.836 1.00 0.00 H new ATOM 0 HB1 ALA B 75 4.989 17.831 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.565 17.054 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.754 16.868 -15.505 1.00 0.00 H new ATOM 2678 N PHE B 76 3.455 14.998 -15.728 1.00 0.00 N ATOM 2679 CA PHE B 76 2.146 14.853 -16.435 1.00 0.00 C ATOM 2680 C PHE B 76 1.183 14.043 -15.582 1.00 0.00 C ATOM 2681 O PHE B 76 -0.004 14.268 -15.574 1.00 0.00 O ATOM 2682 CB PHE B 76 2.391 14.139 -17.767 1.00 0.00 C ATOM 2683 CG PHE B 76 1.080 13.810 -18.445 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.323 14.825 -19.040 1.00 0.00 C ATOM 2685 CD2 PHE B 76 0.626 12.484 -18.484 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.887 14.515 -19.673 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -0.582 12.175 -19.119 1.00 0.00 C ATOM 2688 CZ PHE B 76 -1.339 13.191 -19.712 1.00 0.00 C ATOM 0 H PHE B 76 4.258 14.611 -16.223 1.00 0.00 H new ATOM 0 HA PHE B 76 1.708 15.835 -16.614 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.995 14.771 -18.418 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.958 13.224 -17.596 1.00 0.00 H new ATOM 0 HD1 PHE B 76 0.672 15.847 -19.011 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.209 11.700 -18.023 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -1.472 15.298 -20.132 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.930 11.153 -19.151 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.273 12.954 -20.200 1.00 0.00 H new ATOM 2698 N VAL B 77 1.697 13.092 -14.891 1.00 0.00 N ATOM 2699 CA VAL B 77 0.852 12.215 -14.038 1.00 0.00 C ATOM 2700 C VAL B 77 0.241 13.018 -12.893 1.00 0.00 C ATOM 2701 O VAL B 77 -0.874 12.779 -12.486 1.00 0.00 O ATOM 2702 CB VAL B 77 1.727 11.086 -13.470 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.891 9.825 -13.254 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.851 10.791 -14.458 1.00 0.00 C ATOM 0 H VAL B 77 2.692 12.870 -14.873 1.00 0.00 H new ATOM 0 HA VAL B 77 0.043 11.796 -14.637 1.00 0.00 H new ATOM 0 HB VAL B 77 2.142 11.397 -12.511 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.523 9.034 -12.852 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.085 10.038 -12.551 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.467 9.502 -14.205 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.479 9.991 -14.066 1.00 0.00 H new ATOM 0 HG22 VAL B 77 2.425 10.483 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL B 77 3.453 11.688 -14.602 1.00 0.00 H new ATOM 2714 N SER B 78 0.971 13.946 -12.350 1.00 0.00 N ATOM 2715 CA SER B 78 0.421 14.732 -11.213 1.00 0.00 C ATOM 2716 C SER B 78 -0.767 15.567 -11.680 1.00 0.00 C ATOM 2717 O SER B 78 -1.745 15.716 -10.974 1.00 0.00 O ATOM 2718 CB SER B 78 1.506 15.654 -10.643 1.00 0.00 C ATOM 2719 OG SER B 78 2.330 14.911 -9.758 1.00 0.00 O ATOM 0 H SER B 78 1.917 14.194 -12.640 1.00 0.00 H new ATOM 0 HA SER B 78 0.089 14.043 -10.436 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.105 16.074 -11.451 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.049 16.492 -10.117 1.00 0.00 H new ATOM 0 HG SER B 78 3.015 14.434 -10.272 1.00 0.00 H new ATOM 2725 N MET B 79 -0.688 16.139 -12.845 1.00 0.00 N ATOM 2726 CA MET B 79 -1.818 16.986 -13.311 1.00 0.00 C ATOM 2727 C MET B 79 -3.039 16.130 -13.666 1.00 0.00 C ATOM 2728 O MET B 79 -4.166 16.473 -13.358 1.00 0.00 O ATOM 2729 CB MET B 79 -1.385 17.763 -14.549 1.00 0.00 C ATOM 2730 CG MET B 79 -0.171 18.649 -14.242 1.00 0.00 C ATOM 2731 SD MET B 79 0.737 18.993 -15.779 1.00 0.00 S ATOM 2732 CE MET B 79 -0.669 19.367 -16.864 1.00 0.00 C ATOM 0 H MET B 79 0.099 16.059 -13.489 1.00 0.00 H new ATOM 0 HA MET B 79 -2.091 17.668 -12.506 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.139 17.068 -15.352 1.00 0.00 H new ATOM 0 HB3 MET B 79 -2.211 18.380 -14.903 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.496 19.583 -13.783 1.00 0.00 H new ATOM 0 HG3 MET B 79 0.483 18.152 -13.525 1.00 0.00 H new ATOM 0 HE1 MET B 79 -0.322 19.935 -17.727 1.00 0.00 H new ATOM 0 HE2 MET B 79 -1.126 18.437 -17.201 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.405 19.955 -16.316 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.826 15.030 -14.327 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.975 14.161 -14.723 1.00 0.00 C ATOM 2744 C VAL B 80 -4.698 13.650 -13.482 1.00 0.00 C ATOM 2745 O VAL B 80 -5.909 13.553 -13.448 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.478 12.969 -15.538 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.658 12.050 -15.859 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.857 13.462 -16.842 1.00 0.00 C ATOM 0 H VAL B 80 -1.907 14.691 -14.612 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.662 14.753 -15.327 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.730 12.424 -14.963 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.307 11.198 -16.441 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.106 11.696 -14.931 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.402 12.601 -16.434 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.503 12.609 -17.422 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.605 14.007 -17.418 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.019 14.122 -16.619 1.00 0.00 H new ATOM 2758 N THR B 81 -3.963 13.305 -12.471 1.00 0.00 N ATOM 2759 CA THR B 81 -4.595 12.776 -11.235 1.00 0.00 C ATOM 2760 C THR B 81 -5.530 13.839 -10.683 1.00 0.00 C ATOM 2761 O THR B 81 -6.608 13.555 -10.203 1.00 0.00 O ATOM 2762 CB THR B 81 -3.520 12.450 -10.200 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.636 11.479 -10.735 1.00 0.00 O ATOM 2764 CG2 THR B 81 -4.178 11.896 -8.929 1.00 0.00 C ATOM 0 H THR B 81 -2.945 13.366 -12.445 1.00 0.00 H new ATOM 0 HA THR B 81 -5.150 11.866 -11.461 1.00 0.00 H new ATOM 0 HB THR B 81 -2.966 13.356 -9.953 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.020 11.909 -11.365 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.409 11.664 -8.192 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.861 12.640 -8.519 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.733 10.990 -9.172 1.00 0.00 H new ATOM 2772 N THR B 82 -5.118 15.067 -10.751 1.00 0.00 N ATOM 2773 CA THR B 82 -5.967 16.167 -10.239 1.00 0.00 C ATOM 2774 C THR B 82 -7.356 16.039 -10.873 1.00 0.00 C ATOM 2775 O THR B 82 -8.367 16.230 -10.226 1.00 0.00 O ATOM 2776 CB THR B 82 -5.325 17.504 -10.632 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.913 17.389 -10.540 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.797 18.601 -9.686 1.00 0.00 C ATOM 0 H THR B 82 -4.222 15.358 -11.143 1.00 0.00 H new ATOM 0 HA THR B 82 -6.058 16.119 -9.154 1.00 0.00 H new ATOM 0 HB THR B 82 -5.614 17.756 -11.653 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.498 18.240 -10.792 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.338 19.548 -9.969 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.882 18.691 -9.746 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.509 18.350 -8.665 1.00 0.00 H new ATOM 2786 N ALA B 83 -7.409 15.686 -12.128 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.728 15.509 -12.797 1.00 0.00 C ATOM 2788 C ALA B 83 -9.506 14.417 -12.055 1.00 0.00 C ATOM 2789 O ALA B 83 -10.704 14.504 -11.872 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.515 15.101 -14.260 1.00 0.00 C ATOM 0 H ALA B 83 -6.596 15.513 -12.719 1.00 0.00 H new ATOM 0 HA ALA B 83 -9.289 16.443 -12.775 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.482 14.972 -14.746 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.950 15.877 -14.776 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.962 14.163 -14.299 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.825 13.387 -11.629 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.505 12.278 -10.900 1.00 0.00 C ATOM 2798 C CYS B 84 -10.165 12.817 -9.627 1.00 0.00 C ATOM 2799 O CYS B 84 -11.230 12.378 -9.245 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.480 11.208 -10.522 1.00 0.00 C ATOM 2801 SG CYS B 84 -7.529 10.742 -11.989 1.00 0.00 S ATOM 0 H CYS B 84 -7.820 13.266 -11.756 1.00 0.00 H new ATOM 0 HA CYS B 84 -10.268 11.844 -11.546 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.813 11.586 -9.747 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.985 10.334 -10.110 1.00 0.00 H new ATOM 0 HG CYS B 84 -6.655 9.834 -11.669 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.551 13.759 -8.959 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.177 14.293 -7.713 1.00 0.00 C ATOM 2809 C HIS B 85 -11.542 14.889 -8.048 1.00 0.00 C ATOM 2810 O HIS B 85 -12.498 14.717 -7.318 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.293 15.384 -7.107 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.949 15.912 -5.860 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.538 17.170 -5.811 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.137 15.362 -4.615 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.046 17.332 -4.576 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.828 16.262 -3.811 1.00 0.00 N ATOM 0 H HIS B 85 -8.657 14.176 -9.217 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.289 13.480 -6.996 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.307 14.982 -6.872 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.146 16.191 -7.825 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.800 14.383 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.566 18.219 -4.245 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -11.109 16.131 -2.839 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.652 15.571 -9.152 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.970 16.150 -9.531 1.00 0.00 C ATOM 2827 C GLU B 86 -13.950 15.015 -9.821 1.00 0.00 C ATOM 2828 O GLU B 86 -15.135 15.124 -9.573 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.821 17.030 -10.775 1.00 0.00 C ATOM 2830 CG GLU B 86 -12.093 18.325 -10.408 1.00 0.00 C ATOM 2831 CD GLU B 86 -11.947 19.199 -11.655 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.228 18.706 -12.735 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -11.557 20.345 -11.509 1.00 0.00 O ATOM 0 H GLU B 86 -10.891 15.752 -9.806 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.344 16.762 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -12.266 16.495 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -13.803 17.259 -11.190 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -12.648 18.861 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -11.111 18.098 -9.993 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.463 13.923 -10.347 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.361 12.774 -10.660 1.00 0.00 C ATOM 2842 C PHE B 87 -14.498 11.881 -9.427 1.00 0.00 C ATOM 2843 O PHE B 87 -15.513 11.247 -9.220 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.765 11.962 -11.812 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.646 10.770 -12.094 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.419 9.564 -11.422 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -15.694 10.870 -13.019 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.236 8.456 -11.675 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -16.512 9.762 -13.272 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.282 8.555 -12.600 1.00 0.00 C ATOM 0 H PHE B 87 -12.479 13.777 -10.574 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.343 13.149 -10.947 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.679 12.584 -12.703 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.758 11.632 -11.556 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.613 9.488 -10.707 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.871 11.801 -13.537 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.059 7.525 -11.157 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.320 9.838 -13.985 1.00 0.00 H new ATOM 0 HZ PHE B 87 -16.912 7.700 -12.796 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.483 11.826 -8.603 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.550 10.978 -7.378 1.00 0.00 C ATOM 2862 C PHE B 88 -14.011 11.849 -6.203 1.00 0.00 C ATOM 2863 O PHE B 88 -13.287 12.075 -5.254 1.00 0.00 O ATOM 2864 CB PHE B 88 -12.153 10.371 -7.101 1.00 0.00 C ATOM 2865 CG PHE B 88 -12.284 8.970 -6.528 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -13.277 8.683 -5.580 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.412 7.959 -6.951 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -13.395 7.389 -5.059 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.532 6.665 -6.430 1.00 0.00 C ATOM 2870 CZ PHE B 88 -12.523 6.381 -5.484 1.00 0.00 C ATOM 0 H PHE B 88 -12.608 12.335 -8.728 1.00 0.00 H new ATOM 0 HA PHE B 88 -14.259 10.162 -7.514 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.574 10.340 -8.024 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.606 11.006 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -13.951 9.461 -5.252 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.646 8.178 -7.680 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -14.160 7.169 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.860 5.886 -6.758 1.00 0.00 H new ATOM 0 HZ PHE B 88 -12.615 5.383 -5.082 1.00 0.00 H new ATOM 3114 N ARG X 104 21.367 18.988 4.088 1.00 0.00 N ATOM 3115 CA ARG X 104 20.426 17.889 3.737 1.00 0.00 C ATOM 3116 C ARG X 104 19.412 18.412 2.709 1.00 0.00 C ATOM 3117 O ARG X 104 19.056 17.741 1.752 1.00 0.00 O ATOM 3118 CB ARG X 104 19.697 17.462 5.011 1.00 0.00 C ATOM 3119 CG ARG X 104 20.685 16.760 5.943 1.00 0.00 C ATOM 3120 CD ARG X 104 20.030 16.555 7.308 1.00 0.00 C ATOM 3121 NE ARG X 104 20.934 15.744 8.192 1.00 0.00 N ATOM 3122 CZ ARG X 104 21.307 14.534 7.872 1.00 0.00 C ATOM 3123 NH1 ARG X 104 20.766 13.921 6.855 1.00 0.00 N ATOM 3124 NH2 ARG X 104 22.193 13.915 8.603 1.00 0.00 N ATOM 0 HA ARG X 104 20.962 17.040 3.313 1.00 0.00 H new ATOM 0 HB2 ARG X 104 19.266 18.332 5.507 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.872 16.793 4.766 1.00 0.00 H new ATOM 0 HG2 ARG X 104 20.982 15.800 5.521 1.00 0.00 H new ATOM 0 HG3 ARG X 104 21.591 17.356 6.047 1.00 0.00 H new ATOM 0 HD2 ARG X 104 19.824 17.520 7.771 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.072 16.048 7.189 1.00 0.00 H new ATOM 0 HE ARG X 104 21.266 16.150 9.067 1.00 0.00 H new ATOM 0 HH11 ARG X 104 20.046 14.387 6.303 1.00 0.00 H new ATOM 0 HH12 ARG X 104 21.063 12.976 6.612 1.00 0.00 H new ATOM 0 HH21 ARG X 104 22.592 14.376 9.421 1.00 0.00 H new ATOM 0 HH22 ARG X 104 22.487 12.970 8.357 1.00 0.00 H new ATOM 3138 N HIS X 105 18.960 19.620 2.894 1.00 0.00 N ATOM 3139 CA HIS X 105 17.987 20.210 1.937 1.00 0.00 C ATOM 3140 C HIS X 105 18.631 20.257 0.557 1.00 0.00 C ATOM 3141 O HIS X 105 17.994 20.013 -0.447 1.00 0.00 O ATOM 3142 CB HIS X 105 17.618 21.622 2.393 1.00 0.00 C ATOM 3143 CG HIS X 105 17.413 21.606 3.879 1.00 0.00 C ATOM 3144 ND1 HIS X 105 17.160 20.432 4.574 1.00 0.00 N ATOM 3145 CD2 HIS X 105 17.443 22.602 4.821 1.00 0.00 C ATOM 3146 CE1 HIS X 105 17.054 20.747 5.877 1.00 0.00 C ATOM 3147 NE2 HIS X 105 17.218 22.055 6.080 1.00 0.00 N ATOM 0 H HIS X 105 19.224 20.226 3.671 1.00 0.00 H new ATOM 0 HA HIS X 105 17.081 19.606 1.898 1.00 0.00 H new ATOM 0 HB2 HIS X 105 18.408 22.324 2.128 1.00 0.00 H new ATOM 0 HB3 HIS X 105 16.711 21.957 1.889 1.00 0.00 H new ATOM 0 HD1 HIS X 105 17.071 19.500 4.170 1.00 0.00 H new ATOM 0 HD2 HIS X 105 17.615 23.649 4.617 1.00 0.00 H new ATOM 0 HE1 HIS X 105 16.860 20.030 6.661 1.00 0.00 H new ATOM 3156 N LYS X 106 19.898 20.563 0.505 1.00 0.00 N ATOM 3157 CA LYS X 106 20.591 20.624 -0.805 1.00 0.00 C ATOM 3158 C LYS X 106 20.423 19.272 -1.495 1.00 0.00 C ATOM 3159 O LYS X 106 20.398 19.178 -2.705 1.00 0.00 O ATOM 3160 CB LYS X 106 22.085 20.918 -0.592 1.00 0.00 C ATOM 3161 CG LYS X 106 22.815 21.070 -1.939 1.00 0.00 C ATOM 3162 CD LYS X 106 22.475 22.421 -2.584 1.00 0.00 C ATOM 3163 CE LYS X 106 23.412 22.668 -3.766 1.00 0.00 C ATOM 3164 NZ LYS X 106 24.768 23.023 -3.260 1.00 0.00 N ATOM 0 H LYS X 106 20.481 20.773 1.315 1.00 0.00 H new ATOM 0 HA LYS X 106 20.165 21.417 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS X 106 22.200 21.831 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS X 106 22.540 20.111 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS X 106 23.892 20.993 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS X 106 22.529 20.258 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS X 106 21.438 22.425 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS X 106 22.576 23.222 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.468 21.777 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS X 106 23.023 23.473 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 25.301 23.510 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 24.678 23.650 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 25.273 22.157 -2.983 1.00 0.00 H new ATOM 3178 N LYS X 107 20.304 18.219 -0.734 1.00 0.00 N ATOM 3179 CA LYS X 107 20.134 16.881 -1.358 1.00 0.00 C ATOM 3180 C LYS X 107 18.861 16.897 -2.206 1.00 0.00 C ATOM 3181 O LYS X 107 18.832 16.369 -3.301 1.00 0.00 O ATOM 3182 CB LYS X 107 20.023 15.820 -0.260 1.00 0.00 C ATOM 3183 CG LYS X 107 20.074 14.423 -0.879 1.00 0.00 C ATOM 3184 CD LYS X 107 20.019 13.376 0.238 1.00 0.00 C ATOM 3185 CE LYS X 107 20.032 11.968 -0.365 1.00 0.00 C ATOM 3186 NZ LYS X 107 18.662 11.618 -0.834 1.00 0.00 N ATOM 0 H LYS X 107 20.317 18.228 0.286 1.00 0.00 H new ATOM 0 HA LYS X 107 20.990 16.645 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.836 15.940 0.457 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.091 15.950 0.290 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.238 14.285 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.987 14.303 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS X 107 20.869 13.502 0.908 1.00 0.00 H new ATOM 0 HD3 LYS X 107 19.119 13.517 0.836 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.736 11.923 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.370 11.245 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 18.669 10.662 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 18.002 11.645 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 18.357 12.302 -1.556 1.00 0.00 H new ATOM 3200 N LEU X 108 17.811 17.523 -1.731 1.00 0.00 N ATOM 3201 CA LEU X 108 16.559 17.586 -2.554 1.00 0.00 C ATOM 3202 C LEU X 108 16.749 18.609 -3.693 1.00 0.00 C ATOM 3203 O LEU X 108 16.106 18.534 -4.706 1.00 0.00 O ATOM 3204 CB LEU X 108 15.333 17.964 -1.674 1.00 0.00 C ATOM 3205 CG LEU X 108 14.390 16.753 -1.496 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.463 16.990 -0.301 1.00 0.00 C ATOM 3207 CD2 LEU X 108 13.535 16.568 -2.759 1.00 0.00 C ATOM 0 H LEU X 108 17.764 17.987 -0.824 1.00 0.00 H new ATOM 0 HA LEU X 108 16.365 16.602 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.673 18.312 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU X 108 14.790 18.789 -2.135 1.00 0.00 H new ATOM 0 HG LEU X 108 14.992 15.860 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.800 16.133 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.059 17.118 0.602 1.00 0.00 H new ATOM 0 HD13 LEU X 108 12.869 17.887 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU X 108 12.872 15.713 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.940 17.465 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU X 108 14.185 16.395 -3.616 1.00 0.00 H new ATOM 3219 N MET X 109 17.615 19.566 -3.546 1.00 0.00 N ATOM 3220 CA MET X 109 17.795 20.554 -4.653 1.00 0.00 C ATOM 3221 C MET X 109 18.242 19.815 -5.926 1.00 0.00 C ATOM 3222 O MET X 109 18.059 20.296 -7.025 1.00 0.00 O ATOM 3223 CB MET X 109 18.847 21.614 -4.264 1.00 0.00 C ATOM 3224 CG MET X 109 18.183 22.784 -3.523 1.00 0.00 C ATOM 3225 SD MET X 109 17.586 22.224 -1.904 1.00 0.00 S ATOM 3226 CE MET X 109 15.833 22.639 -2.109 1.00 0.00 C ATOM 0 H MET X 109 18.200 19.711 -2.723 1.00 0.00 H new ATOM 0 HA MET X 109 16.847 21.060 -4.837 1.00 0.00 H new ATOM 0 HB2 MET X 109 19.611 21.162 -3.631 1.00 0.00 H new ATOM 0 HB3 MET X 109 19.350 21.981 -5.159 1.00 0.00 H new ATOM 0 HG2 MET X 109 18.896 23.598 -3.396 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.353 23.176 -4.112 1.00 0.00 H new ATOM 0 HE1 MET X 109 15.287 22.367 -1.206 1.00 0.00 H new ATOM 0 HE2 MET X 109 15.731 23.710 -2.286 1.00 0.00 H new ATOM 0 HE3 MET X 109 15.426 22.090 -2.958 1.00 0.00 H new ATOM 3236 N PHE X 110 18.852 18.669 -5.785 1.00 0.00 N ATOM 3237 CA PHE X 110 19.337 17.926 -6.990 1.00 0.00 C ATOM 3238 C PHE X 110 18.244 17.909 -8.077 1.00 0.00 C ATOM 3239 O PHE X 110 18.504 18.170 -9.232 1.00 0.00 O ATOM 3240 CB PHE X 110 19.721 16.478 -6.581 1.00 0.00 C ATOM 3241 CG PHE X 110 18.574 15.512 -6.834 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.445 15.515 -6.001 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.638 14.627 -7.920 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.388 14.632 -6.255 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.579 13.750 -8.175 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.455 13.752 -7.342 1.00 0.00 C ATOM 0 H PHE X 110 19.036 18.214 -4.891 1.00 0.00 H new ATOM 0 HA PHE X 110 20.216 18.426 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.599 16.159 -7.143 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.993 16.455 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.391 16.197 -5.165 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.507 14.623 -8.561 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.520 14.630 -5.612 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.629 13.072 -9.014 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.638 13.074 -7.538 1.00 0.00 H new ATOM 3256 N LYS X 111 17.033 17.592 -7.708 1.00 0.00 N ATOM 3257 CA LYS X 111 15.921 17.544 -8.707 1.00 0.00 C ATOM 3258 C LYS X 111 15.601 18.958 -9.212 1.00 0.00 C ATOM 3259 O LYS X 111 15.246 19.146 -10.359 1.00 0.00 O ATOM 3260 CB LYS X 111 14.674 16.954 -8.039 1.00 0.00 C ATOM 3261 CG LYS X 111 14.557 17.542 -6.620 1.00 0.00 C ATOM 3262 CD LYS X 111 13.100 17.555 -6.121 1.00 0.00 C ATOM 3263 CE LYS X 111 12.895 18.734 -5.165 1.00 0.00 C ATOM 3264 NZ LYS X 111 11.589 18.588 -4.462 1.00 0.00 N ATOM 0 H LYS X 111 16.762 17.362 -6.752 1.00 0.00 H new ATOM 0 HA LYS X 111 16.224 16.925 -9.551 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.784 17.191 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.746 15.867 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.170 16.958 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS X 111 14.951 18.558 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.416 17.636 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS X 111 12.870 16.618 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS X 111 13.708 18.772 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.918 19.672 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 10.888 19.220 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 11.262 17.604 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 11.705 18.838 -3.459 1.00 0.00 H new ATOM 3278 N THR X 112 15.699 19.953 -8.369 1.00 0.00 N ATOM 3279 CA THR X 112 15.383 21.338 -8.828 1.00 0.00 C ATOM 3280 C THR X 112 16.334 21.719 -9.962 1.00 0.00 C ATOM 3281 O THR X 112 15.947 22.342 -10.931 1.00 0.00 O ATOM 3282 CB THR X 112 15.551 22.328 -7.672 1.00 0.00 C ATOM 3283 OG1 THR X 112 16.906 22.336 -7.248 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.650 21.920 -6.507 1.00 0.00 C ATOM 0 H THR X 112 15.981 19.868 -7.392 1.00 0.00 H new ATOM 0 HA THR X 112 14.351 21.373 -9.178 1.00 0.00 H new ATOM 0 HB THR X 112 15.271 23.326 -8.008 1.00 0.00 H new ATOM 0 HG1 THR X 112 17.255 21.420 -7.250 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.773 22.627 -5.687 1.00 0.00 H new ATOM 0 HG22 THR X 112 13.610 21.921 -6.834 1.00 0.00 H new ATOM 0 HG23 THR X 112 14.923 20.921 -6.168 1.00 0.00 H new ATOM 3292 N GLU X 113 17.579 21.346 -9.845 1.00 0.00 N ATOM 3293 CA GLU X 113 18.566 21.679 -10.910 1.00 0.00 C ATOM 3294 CB GLU X 113 18.282 20.829 -12.150 1.00 0.00 C ATOM 3295 CG GLU X 113 18.229 19.355 -11.749 1.00 0.00 C ATOM 3296 CD GLU X 113 17.945 18.498 -12.984 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.627 19.067 -14.014 1.00 0.00 O ATOM 3298 OE2 GLU X 113 18.054 17.288 -12.878 1.00 0.00 O ATOM 0 H GLU X 113 17.956 20.823 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.337 21.129 -12.602 1.00 0.00 H new ATOM 0 HB3 GLU X 113 19.058 20.987 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU X 113 19.174 19.057 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.453 19.199 -10.999 1.00 0.00 H new ATOM 3493 N ARG Y 104 -12.594 16.521 -27.345 1.00 0.00 N ATOM 3494 CA ARG Y 104 -12.320 15.685 -26.143 1.00 0.00 C ATOM 3495 C ARG Y 104 -10.971 16.105 -25.541 1.00 0.00 C ATOM 3496 O ARG Y 104 -10.804 16.211 -24.335 1.00 0.00 O ATOM 3497 CB ARG Y 104 -12.255 14.222 -26.585 1.00 0.00 C ATOM 3498 CG ARG Y 104 -13.657 13.757 -26.979 1.00 0.00 C ATOM 3499 CD ARG Y 104 -13.565 12.389 -27.653 1.00 0.00 C ATOM 3500 NE ARG Y 104 -14.945 11.863 -27.932 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -15.809 11.655 -26.974 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -15.444 11.728 -25.724 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -17.036 11.325 -27.271 1.00 0.00 N ATOM 0 HA ARG Y 104 -13.103 15.814 -25.395 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -11.572 14.113 -27.428 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -11.866 13.602 -25.777 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -14.294 13.698 -26.097 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -14.115 14.478 -27.656 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -13.002 12.469 -28.583 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -13.024 11.693 -27.012 1.00 0.00 H new ATOM 0 HE ARG Y 104 -15.214 11.663 -28.895 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -14.477 11.949 -25.487 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -16.126 11.564 -24.983 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -17.317 11.231 -28.247 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -17.714 11.161 -26.527 1.00 0.00 H new ATOM 3517 N HIS Y 105 -10.009 16.366 -26.382 1.00 0.00 N ATOM 3518 CA HIS Y 105 -8.676 16.794 -25.886 1.00 0.00 C ATOM 3519 C HIS Y 105 -8.843 18.085 -25.095 1.00 0.00 C ATOM 3520 O HIS Y 105 -8.212 18.291 -24.079 1.00 0.00 O ATOM 3521 CB HIS Y 105 -7.745 17.024 -27.076 1.00 0.00 C ATOM 3522 CG HIS Y 105 -7.941 15.908 -28.059 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -8.517 14.699 -27.696 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -7.666 15.806 -29.398 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -8.573 13.928 -28.797 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -8.068 14.557 -29.860 1.00 0.00 N ATOM 0 H HIS Y 105 -10.092 16.300 -27.397 1.00 0.00 H new ATOM 0 HA HIS Y 105 -8.245 16.026 -25.244 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -7.961 17.984 -27.545 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -6.707 17.058 -26.744 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -8.840 14.441 -26.763 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -7.208 16.576 -30.001 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -8.976 12.926 -28.818 1.00 0.00 H new ATOM 3535 N LYS Y 106 -9.700 18.955 -25.555 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.916 20.235 -24.834 1.00 0.00 C ATOM 3537 C LYS Y 106 -10.328 19.909 -23.398 1.00 0.00 C ATOM 3538 O LYS Y 106 -10.066 20.657 -22.479 1.00 0.00 O ATOM 3539 CB LYS Y 106 -11.025 21.040 -25.530 1.00 0.00 C ATOM 3540 CG LYS Y 106 -11.221 22.410 -24.855 1.00 0.00 C ATOM 3541 CD LYS Y 106 -10.068 23.358 -25.213 1.00 0.00 C ATOM 3542 CE LYS Y 106 -10.430 24.778 -24.777 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -11.469 25.327 -25.693 1.00 0.00 N ATOM 0 H LYS Y 106 -10.259 18.832 -26.399 1.00 0.00 H new ATOM 0 HA LYS Y 106 -9.003 20.830 -24.835 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -10.771 21.182 -26.581 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -11.959 20.479 -25.500 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -12.169 22.845 -25.172 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -11.274 22.285 -23.774 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -9.151 23.036 -24.720 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -9.879 23.331 -26.286 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -10.800 24.772 -23.752 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -9.544 25.412 -24.793 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -11.464 26.366 -25.640 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -11.265 25.029 -26.668 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -12.404 24.970 -25.411 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.971 18.792 -23.194 1.00 0.00 N ATOM 3558 CA LYS Y 107 -11.388 18.428 -21.815 1.00 0.00 C ATOM 3559 C LYS Y 107 -10.136 18.324 -20.939 1.00 0.00 C ATOM 3560 O LYS Y 107 -10.126 18.769 -19.808 1.00 0.00 O ATOM 3561 CB LYS Y 107 -12.125 17.085 -21.844 1.00 0.00 C ATOM 3562 CG LYS Y 107 -12.745 16.795 -20.475 1.00 0.00 C ATOM 3563 CD LYS Y 107 -13.532 15.483 -20.548 1.00 0.00 C ATOM 3564 CE LYS Y 107 -14.121 15.152 -19.176 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.048 14.604 -18.297 1.00 0.00 N ATOM 0 H LYS Y 107 -11.223 18.121 -23.919 1.00 0.00 H new ATOM 0 HA LYS Y 107 -12.057 19.186 -21.408 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -12.903 17.105 -22.607 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -11.433 16.287 -22.115 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -11.965 16.724 -19.717 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -13.403 17.612 -20.180 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -14.330 15.568 -21.285 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.879 14.675 -20.878 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -14.553 16.047 -18.727 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -14.928 14.426 -19.279 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -13.464 14.284 -17.399 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -12.587 13.801 -18.771 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -12.343 15.345 -18.107 1.00 0.00 H new ATOM 3579 N LEU Y 108 -9.065 17.770 -21.456 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.812 17.686 -20.634 1.00 0.00 C ATOM 3581 C LEU Y 108 -7.153 19.078 -20.568 1.00 0.00 C ATOM 3582 O LEU Y 108 -6.423 19.376 -19.660 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.824 16.641 -21.227 1.00 0.00 C ATOM 3584 CG LEU Y 108 -6.740 15.388 -20.324 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -6.154 14.217 -21.117 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -5.831 15.672 -19.116 1.00 0.00 C ATOM 0 H LEU Y 108 -9.002 17.378 -22.395 1.00 0.00 H new ATOM 0 HA LEU Y 108 -8.071 17.360 -19.627 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -7.150 16.353 -22.227 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.835 17.087 -21.330 1.00 0.00 H new ATOM 0 HG LEU Y 108 -7.743 15.137 -19.979 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -6.097 13.337 -20.477 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.793 14.002 -21.974 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.155 14.478 -21.466 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -5.777 14.785 -18.485 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.831 15.930 -19.466 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -6.240 16.502 -18.540 1.00 0.00 H new ATOM 3598 N MET Y 109 -7.391 19.936 -21.515 1.00 0.00 N ATOM 3599 CA MET Y 109 -6.749 21.286 -21.447 1.00 0.00 C ATOM 3600 C MET Y 109 -7.194 21.996 -20.159 1.00 0.00 C ATOM 3601 O MET Y 109 -6.525 22.884 -19.671 1.00 0.00 O ATOM 3602 CB MET Y 109 -7.145 22.131 -22.675 1.00 0.00 C ATOM 3603 CG MET Y 109 -6.168 21.884 -23.835 1.00 0.00 C ATOM 3604 SD MET Y 109 -6.357 20.187 -24.445 1.00 0.00 S ATOM 3605 CE MET Y 109 -4.648 19.632 -24.207 1.00 0.00 C ATOM 0 H MET Y 109 -7.991 19.772 -22.323 1.00 0.00 H new ATOM 0 HA MET Y 109 -5.666 21.166 -21.443 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -8.159 21.879 -22.986 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -7.146 23.189 -22.411 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -6.358 22.593 -24.640 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -5.143 22.048 -23.501 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -4.554 18.595 -24.528 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -3.977 20.257 -24.797 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -4.383 19.711 -23.153 1.00 0.00 H new ATOM 3615 N PHE Y 110 -8.329 21.636 -19.623 1.00 0.00 N ATOM 3616 CA PHE Y 110 -8.824 22.319 -18.386 1.00 0.00 C ATOM 3617 C PHE Y 110 -7.681 22.455 -17.363 1.00 0.00 C ATOM 3618 O PHE Y 110 -7.477 23.503 -16.788 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.998 21.505 -17.783 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.512 20.560 -16.692 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.789 19.404 -17.020 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.778 20.858 -15.347 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.336 18.552 -16.005 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -9.322 20.006 -14.335 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.601 18.853 -14.664 1.00 0.00 C ATOM 0 H PHE Y 110 -8.936 20.900 -19.985 1.00 0.00 H new ATOM 0 HA PHE Y 110 -9.177 23.318 -18.640 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -10.743 22.187 -17.372 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -10.489 20.933 -18.570 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.582 19.171 -18.054 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -10.336 21.747 -15.092 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.781 17.661 -16.258 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.527 20.238 -13.300 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.249 18.195 -13.883 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.950 21.398 -17.129 1.00 0.00 N ATOM 3636 CA LYS Y 111 -5.830 21.452 -16.140 1.00 0.00 C ATOM 3637 C LYS Y 111 -4.702 22.352 -16.667 1.00 0.00 C ATOM 3638 O LYS Y 111 -4.044 23.036 -15.909 1.00 0.00 O ATOM 3639 CB LYS Y 111 -5.285 20.034 -15.926 1.00 0.00 C ATOM 3640 CG LYS Y 111 -5.228 19.322 -17.290 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.157 18.216 -17.319 1.00 0.00 C ATOM 3642 CE LYS Y 111 -3.606 18.079 -18.742 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -2.758 16.856 -18.835 1.00 0.00 N ATOM 0 H LYS Y 111 -7.080 20.494 -17.582 1.00 0.00 H new ATOM 0 HA LYS Y 111 -6.200 21.859 -15.199 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.292 20.073 -15.477 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -5.925 19.482 -15.237 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -6.203 18.889 -17.514 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -5.017 20.052 -18.071 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.351 18.457 -16.626 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.587 17.270 -16.991 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -4.427 18.020 -19.456 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -3.020 18.961 -19.002 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -2.919 16.390 -19.751 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -1.756 17.121 -18.753 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -3.007 16.202 -18.066 1.00 0.00 H new ATOM 3657 N THR Y 112 -4.454 22.345 -17.951 1.00 0.00 N ATOM 3658 CA THR Y 112 -3.358 23.202 -18.493 1.00 0.00 C ATOM 3659 C THR Y 112 -3.658 24.666 -18.172 1.00 0.00 C ATOM 3660 O THR Y 112 -2.780 25.432 -17.827 1.00 0.00 O ATOM 3661 CB THR Y 112 -3.250 23.021 -20.009 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -4.449 23.464 -20.626 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -3.016 21.546 -20.334 1.00 0.00 C ATOM 0 H THR Y 112 -4.957 21.789 -18.642 1.00 0.00 H new ATOM 0 HA THR Y 112 -2.413 22.910 -18.034 1.00 0.00 H new ATOM 0 HB THR Y 112 -2.413 23.608 -20.386 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -5.219 23.142 -20.113 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -2.939 21.419 -21.414 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -2.092 21.212 -19.863 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -3.850 20.954 -19.957 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.898 25.058 -18.285 1.00 0.00 N ATOM 3672 CA GLU Y 113 -5.270 26.470 -17.989 1.00 0.00 C ATOM 3673 CB GLU Y 113 -5.185 26.710 -16.482 1.00 0.00 C ATOM 3674 CG GLU Y 113 -6.026 25.659 -15.756 1.00 0.00 C ATOM 3675 CD GLU Y 113 -5.947 25.892 -14.246 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -5.133 26.700 -13.833 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -6.706 25.259 -13.530 1.00 0.00 O ATOM 0 H GLU Y 113 -5.672 24.458 -18.571 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -4.148 26.655 -16.151 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -5.544 27.710 -16.240 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -7.062 25.715 -16.089 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -5.666 24.659 -15.999 1.00 0.00 H new