USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 924 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: A 58 MET CE :methyl -141:sc= -3.61! (180deg=-6.05!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -159:sc= -2.97! (180deg=-4.45!) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0249 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 140:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 138:sc= -2.29 (180deg=-6.37!) USER MOD Single : A 14 SER OG : rot 77:sc= 0.0266 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 20 GLN :FLIP amide:sc= -3.88! C(o=-6.2!,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 0.249 (180deg=-0.704) USER MOD Single : A 22 GLN : amide:sc= -3.14! C(o=-3.1!,f=-7!) USER MOD Single : A 23 MET CE :methyl -163:sc= -2.09! (180deg=-3.14!) USER MOD Single : A 33 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.4!) USER MOD Single : A 35 MET CE :methyl -170:sc= -2.98 (180deg=-3.47!) USER MOD Single : A 36 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-4.2!) USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.329 USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= -0.452 (180deg=-1.37!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 46 MET CE :methyl -117:sc= -0.961 (180deg=-4.61!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.464 F(o=-2!,f=-0.46) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.72) USER MOD Single : A 61 SER OG : rot 84:sc= 0.0881 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 103:sc= 0.15 USER MOD Single : A 77 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.34) USER MOD Single : A 79 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-1.9!) USER MOD Single : A 80 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -136:sc= -0.0648 (180deg=-0.776) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0971 X(o=-0.097,f=-0.26) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0961 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.195 USER MOD Single : B 1 VAL N :NH3+ -162:sc= -0.179 (180deg=-0.781) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= -0.059 USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 7 ASN :FLIP amide:sc= -1.91 F(o=-4.9!,f=-1.9) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 LYS NZ :NH3+ -131:sc= -2.19! (180deg=-3.89!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 150:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.169 -19.884 -10.399 1.00 0.00 N ATOM 2 CA GLY A 1 -11.701 -20.505 -9.129 1.00 0.00 C ATOM 3 C GLY A 1 -10.961 -21.811 -9.359 1.00 0.00 C ATOM 4 O GLY A 1 -11.242 -22.519 -10.327 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.176 -19.638 -10.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.617 -19.023 -10.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.041 -20.557 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.046 -19.807 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.557 -20.686 -8.479 1.00 0.00 H new ATOM 10 N PRO A 2 -9.998 -22.165 -8.484 1.00 0.00 N ATOM 11 CA PRO A 2 -9.628 -21.360 -7.312 1.00 0.00 C ATOM 12 C PRO A 2 -8.859 -20.101 -7.695 1.00 0.00 C ATOM 13 O PRO A 2 -7.850 -20.168 -8.401 1.00 0.00 O ATOM 14 CB PRO A 2 -8.732 -22.297 -6.487 1.00 0.00 C ATOM 15 CG PRO A 2 -8.854 -23.643 -7.124 1.00 0.00 C ATOM 16 CD PRO A 2 -9.202 -23.392 -8.562 1.00 0.00 C ATOM 0 HA PRO A 2 -10.508 -21.011 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.697 -21.954 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.052 -22.327 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.921 -24.200 -7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.625 -24.238 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.313 -23.261 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.769 -24.217 -8.993 1.00 0.00 H new ATOM 24 N LEU A 3 -9.339 -18.954 -7.227 1.00 0.00 N ATOM 25 CA LEU A 3 -8.696 -17.679 -7.520 1.00 0.00 C ATOM 26 C LEU A 3 -7.487 -17.460 -6.616 1.00 0.00 C ATOM 27 O LEU A 3 -7.616 -17.407 -5.392 1.00 0.00 O ATOM 28 CB LEU A 3 -9.691 -16.528 -7.346 1.00 0.00 C ATOM 29 CG LEU A 3 -9.922 -15.670 -8.595 1.00 0.00 C ATOM 30 CD1 LEU A 3 -8.618 -15.040 -9.062 1.00 0.00 C ATOM 31 CD2 LEU A 3 -10.545 -16.499 -9.707 1.00 0.00 C ATOM 0 H LEU A 3 -10.172 -18.881 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.356 -17.702 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.648 -16.941 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.338 -15.883 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.615 -14.869 -8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.804 -14.435 -9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.215 -14.409 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.900 -15.825 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.701 -15.872 -10.585 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.879 -17.323 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.502 -16.897 -9.371 1.00 0.00 H new ATOM 43 N GLY A 4 -6.313 -17.335 -7.226 1.00 0.00 N ATOM 44 CA GLY A 4 -5.097 -17.124 -6.461 1.00 0.00 C ATOM 45 C GLY A 4 -4.665 -15.670 -6.452 1.00 0.00 C ATOM 46 O GLY A 4 -3.871 -15.257 -5.605 1.00 0.00 O ATOM 0 H GLY A 4 -6.181 -17.376 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.253 -17.460 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.297 -17.735 -6.879 1.00 0.00 H new ATOM 50 N SER A 5 -5.192 -14.893 -7.392 1.00 0.00 N ATOM 51 CA SER A 5 -4.858 -13.477 -7.490 1.00 0.00 C ATOM 52 C SER A 5 -5.859 -12.625 -6.711 1.00 0.00 C ATOM 53 O SER A 5 -7.022 -12.514 -7.099 1.00 0.00 O ATOM 54 CB SER A 5 -4.835 -13.039 -8.956 1.00 0.00 C ATOM 55 OG SER A 5 -3.577 -13.310 -9.550 1.00 0.00 O ATOM 0 H SER A 5 -5.852 -15.220 -8.097 1.00 0.00 H new ATOM 0 HA SER A 5 -3.869 -13.332 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.620 -13.558 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.050 -11.973 -9.024 1.00 0.00 H new ATOM 0 HG SER A 5 -3.589 -13.023 -10.487 1.00 0.00 H new ATOM 61 N PRO A 6 -5.421 -12.010 -5.596 1.00 0.00 N ATOM 62 CA PRO A 6 -6.290 -11.166 -4.769 1.00 0.00 C ATOM 63 C PRO A 6 -6.686 -9.876 -5.478 1.00 0.00 C ATOM 64 O PRO A 6 -5.866 -8.972 -5.648 1.00 0.00 O ATOM 65 CB PRO A 6 -5.429 -10.859 -3.542 1.00 0.00 C ATOM 66 CG PRO A 6 -4.025 -10.996 -4.021 1.00 0.00 C ATOM 67 CD PRO A 6 -4.049 -12.086 -5.056 1.00 0.00 C ATOM 0 HA PRO A 6 -7.231 -11.662 -4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.622 -9.855 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.639 -11.552 -2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.664 -10.060 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.355 -11.251 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.301 -11.921 -5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.843 -13.062 -4.617 1.00 0.00 H new ATOM 75 N LEU A 7 -7.947 -9.795 -5.890 1.00 0.00 N ATOM 76 CA LEU A 7 -8.451 -8.616 -6.584 1.00 0.00 C ATOM 77 C LEU A 7 -9.097 -7.640 -5.608 1.00 0.00 C ATOM 78 O LEU A 7 -10.124 -7.944 -5.003 1.00 0.00 O ATOM 79 CB LEU A 7 -9.465 -9.026 -7.656 1.00 0.00 C ATOM 80 CG LEU A 7 -9.075 -8.670 -9.094 1.00 0.00 C ATOM 81 CD1 LEU A 7 -8.861 -7.171 -9.238 1.00 0.00 C ATOM 82 CD2 LEU A 7 -7.828 -9.433 -9.514 1.00 0.00 C ATOM 0 H LEU A 7 -8.639 -10.532 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.606 -8.118 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.619 -10.103 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.421 -8.554 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.893 -8.962 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.585 -6.940 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.781 -6.646 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.063 -6.851 -8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.566 -9.167 -10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.003 -9.175 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.020 -10.504 -9.455 1.00 0.00 H new ATOM 94 N THR A 8 -8.519 -6.448 -5.501 1.00 0.00 N ATOM 95 CA THR A 8 -9.036 -5.423 -4.604 1.00 0.00 C ATOM 96 C THR A 8 -10.095 -4.588 -5.309 1.00 0.00 C ATOM 97 O THR A 8 -11.076 -4.168 -4.696 1.00 0.00 O ATOM 98 CB THR A 8 -7.902 -4.525 -4.106 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.410 -3.476 -3.301 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.093 -3.898 -5.222 1.00 0.00 C ATOM 0 H THR A 8 -7.690 -6.168 -6.026 1.00 0.00 H new ATOM 0 HA THR A 8 -9.492 -5.916 -3.745 1.00 0.00 H new ATOM 0 HB THR A 8 -7.247 -5.182 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.813 -3.330 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.307 -3.275 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.644 -4.683 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.745 -3.285 -5.844 1.00 0.00 H new ATOM 108 N ALA A 9 -9.905 -4.372 -6.608 1.00 0.00 N ATOM 109 CA ALA A 9 -10.885 -3.647 -7.404 1.00 0.00 C ATOM 110 C ALA A 9 -12.220 -4.376 -7.349 1.00 0.00 C ATOM 111 O ALA A 9 -13.281 -3.757 -7.261 1.00 0.00 O ATOM 112 CB ALA A 9 -10.409 -3.505 -8.842 1.00 0.00 C ATOM 0 H ALA A 9 -9.086 -4.687 -7.127 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.008 -2.645 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.155 -2.960 -9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.466 -2.959 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.264 -4.494 -9.277 1.00 0.00 H new ATOM 118 N SER A 10 -12.148 -5.704 -7.356 1.00 0.00 N ATOM 119 CA SER A 10 -13.336 -6.534 -7.247 1.00 0.00 C ATOM 120 C SER A 10 -13.955 -6.369 -5.868 1.00 0.00 C ATOM 121 O SER A 10 -15.177 -6.357 -5.721 1.00 0.00 O ATOM 122 CB SER A 10 -12.989 -8.003 -7.498 1.00 0.00 C ATOM 123 OG SER A 10 -14.096 -8.704 -8.035 1.00 0.00 O ATOM 0 H SER A 10 -11.276 -6.226 -7.436 1.00 0.00 H new ATOM 0 HA SER A 10 -14.056 -6.217 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.145 -8.068 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.677 -8.471 -6.564 1.00 0.00 H new ATOM 0 HG SER A 10 -13.848 -9.640 -8.188 1.00 0.00 H new ATOM 129 N MET A 11 -13.100 -6.198 -4.859 1.00 0.00 N ATOM 130 CA MET A 11 -13.572 -5.989 -3.496 1.00 0.00 C ATOM 131 C MET A 11 -14.340 -4.683 -3.402 1.00 0.00 C ATOM 132 O MET A 11 -15.350 -4.600 -2.712 1.00 0.00 O ATOM 133 CB MET A 11 -12.407 -5.958 -2.509 1.00 0.00 C ATOM 134 CG MET A 11 -11.478 -7.153 -2.625 1.00 0.00 C ATOM 135 SD MET A 11 -10.877 -7.726 -1.026 1.00 0.00 S ATOM 136 CE MET A 11 -9.510 -6.601 -0.750 1.00 0.00 C ATOM 0 H MET A 11 -12.085 -6.200 -4.961 1.00 0.00 H new ATOM 0 HA MET A 11 -14.228 -6.821 -3.240 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.832 -5.045 -2.667 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.803 -5.914 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.002 -7.968 -3.125 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.628 -6.887 -3.254 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.511 -6.275 0.290 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.571 -7.109 -0.970 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.615 -5.734 -1.402 1.00 0.00 H new ATOM 146 N LEU A 12 -13.858 -3.669 -4.111 1.00 0.00 N ATOM 147 CA LEU A 12 -14.498 -2.364 -4.110 1.00 0.00 C ATOM 148 C LEU A 12 -15.977 -2.500 -4.440 1.00 0.00 C ATOM 149 O LEU A 12 -16.830 -1.907 -3.780 1.00 0.00 O ATOM 150 CB LEU A 12 -13.811 -1.446 -5.124 1.00 0.00 C ATOM 151 CG LEU A 12 -12.326 -1.182 -4.861 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.795 -0.126 -5.819 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.100 -0.758 -3.417 1.00 0.00 C ATOM 0 H LEU A 12 -13.024 -3.728 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.404 -1.926 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.916 -1.884 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.336 -0.491 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.779 -2.109 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.738 0.049 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.917 -0.472 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.349 0.802 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.038 -0.576 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.660 0.155 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.440 -1.549 -2.748 1.00 0.00 H new ATOM 165 N ALA A 13 -16.273 -3.309 -5.450 1.00 0.00 N ATOM 166 CA ALA A 13 -17.650 -3.559 -5.848 1.00 0.00 C ATOM 167 C ALA A 13 -18.406 -4.313 -4.756 1.00 0.00 C ATOM 168 O ALA A 13 -19.605 -4.108 -4.566 1.00 0.00 O ATOM 169 CB ALA A 13 -17.688 -4.337 -7.155 1.00 0.00 C ATOM 0 H ALA A 13 -15.576 -3.803 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.142 -2.598 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.724 -4.517 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.191 -3.761 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.176 -5.291 -7.026 1.00 0.00 H new ATOM 175 N SER A 14 -17.699 -5.194 -4.051 1.00 0.00 N ATOM 176 CA SER A 14 -18.309 -5.994 -2.993 1.00 0.00 C ATOM 177 C SER A 14 -17.981 -5.441 -1.607 1.00 0.00 C ATOM 178 O SER A 14 -18.112 -6.143 -0.605 1.00 0.00 O ATOM 179 CB SER A 14 -17.838 -7.447 -3.096 1.00 0.00 C ATOM 180 OG SER A 14 -17.796 -7.875 -4.445 1.00 0.00 O ATOM 0 H SER A 14 -16.705 -5.371 -4.194 1.00 0.00 H new ATOM 0 HA SER A 14 -19.390 -5.949 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.848 -7.544 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.509 -8.091 -2.528 1.00 0.00 H new ATOM 0 HG SER A 14 -16.998 -7.509 -4.880 1.00 0.00 H new ATOM 186 N ALA A 15 -17.558 -4.181 -1.554 1.00 0.00 N ATOM 187 CA ALA A 15 -17.209 -3.547 -0.287 1.00 0.00 C ATOM 188 C ALA A 15 -17.692 -2.097 -0.246 1.00 0.00 C ATOM 189 O ALA A 15 -17.219 -1.259 -1.014 1.00 0.00 O ATOM 190 CB ALA A 15 -15.709 -3.612 -0.054 1.00 0.00 C ATOM 0 H ALA A 15 -17.449 -3.581 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.710 -4.094 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.467 -3.134 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.390 -4.654 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.192 -3.094 -0.862 1.00 0.00 H new ATOM 196 N PRO A 16 -18.644 -1.779 0.654 1.00 0.00 N ATOM 197 CA PRO A 16 -19.181 -0.418 0.789 1.00 0.00 C ATOM 198 C PRO A 16 -18.083 0.608 1.072 1.00 0.00 C ATOM 199 O PRO A 16 -16.944 0.239 1.355 1.00 0.00 O ATOM 200 CB PRO A 16 -20.136 -0.523 1.985 1.00 0.00 C ATOM 201 CG PRO A 16 -20.482 -1.969 2.076 1.00 0.00 C ATOM 202 CD PRO A 16 -19.264 -2.714 1.611 1.00 0.00 C ATOM 0 HA PRO A 16 -19.665 -0.078 -0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.661 -0.172 2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -21.026 0.087 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.742 -2.245 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.345 -2.204 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.594 -2.947 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.527 -3.660 1.138 1.00 0.00 H new ATOM 210 N PRO A 17 -18.406 1.915 1.003 1.00 0.00 N ATOM 211 CA PRO A 17 -17.432 2.980 1.263 1.00 0.00 C ATOM 212 C PRO A 17 -16.806 2.861 2.651 1.00 0.00 C ATOM 213 O PRO A 17 -15.656 3.250 2.860 1.00 0.00 O ATOM 214 CB PRO A 17 -18.258 4.266 1.160 1.00 0.00 C ATOM 215 CG PRO A 17 -19.445 3.894 0.341 1.00 0.00 C ATOM 216 CD PRO A 17 -19.736 2.456 0.666 1.00 0.00 C ATOM 0 HA PRO A 17 -16.597 2.943 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.555 4.625 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -17.687 5.066 0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.298 4.529 0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -19.241 4.021 -0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.432 2.364 1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.181 1.933 -0.180 1.00 0.00 H new ATOM 224 N GLN A 18 -17.570 2.317 3.595 1.00 0.00 N ATOM 225 CA GLN A 18 -17.090 2.143 4.963 1.00 0.00 C ATOM 226 C GLN A 18 -16.052 1.029 5.039 1.00 0.00 C ATOM 227 O GLN A 18 -15.365 0.875 6.048 1.00 0.00 O ATOM 228 CB GLN A 18 -18.259 1.827 5.899 1.00 0.00 C ATOM 229 CG GLN A 18 -19.243 2.975 6.057 1.00 0.00 C ATOM 230 CD GLN A 18 -20.672 2.500 6.232 1.00 0.00 C ATOM 231 OE1 GLN A 18 -20.938 1.551 6.970 1.00 0.00 O ATOM 232 NE2 GLN A 18 -21.603 3.160 5.553 1.00 0.00 N ATOM 0 H GLN A 18 -18.523 1.989 3.438 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.621 3.075 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.791 0.954 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.866 1.560 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.957 3.578 6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.184 3.622 5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.339 3.941 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -22.582 2.886 5.632 1.00 0.00 H new ATOM 241 N GLU A 19 -15.949 0.253 3.966 1.00 0.00 N ATOM 242 CA GLU A 19 -15.002 -0.849 3.896 1.00 0.00 C ATOM 243 C GLU A 19 -13.656 -0.375 3.364 1.00 0.00 C ATOM 244 O GLU A 19 -12.775 -1.185 3.079 1.00 0.00 O ATOM 245 CB GLU A 19 -15.545 -1.941 2.976 1.00 0.00 C ATOM 246 CG GLU A 19 -16.120 -3.142 3.706 1.00 0.00 C ATOM 247 CD GLU A 19 -15.284 -3.584 4.892 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.353 -2.922 5.949 1.00 0.00 O ATOM 249 OE2 GLU A 19 -14.587 -4.613 4.776 1.00 0.00 O ATOM 0 H GLU A 19 -16.516 0.370 3.126 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.865 -1.243 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.319 -1.512 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.743 -2.279 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.126 -2.901 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.212 -3.973 3.006 1.00 0.00 H new ATOM 256 N GLN A 20 -13.521 0.937 3.194 1.00 0.00 N ATOM 257 CA GLN A 20 -12.309 1.516 2.627 1.00 0.00 C ATOM 258 C GLN A 20 -11.048 0.969 3.297 1.00 0.00 C ATOM 259 O GLN A 20 -10.151 0.471 2.619 1.00 0.00 O ATOM 260 CB GLN A 20 -12.351 3.054 2.697 1.00 0.00 C ATOM 261 CG GLN A 20 -11.770 3.655 3.969 1.00 0.00 C ATOM 262 CD GLN A 20 -12.792 3.770 5.082 1.00 0.00 C ATOM 263 OE1 GLN A 20 -12.374 3.449 6.301 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -13.940 4.147 4.851 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.238 1.619 3.441 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.268 1.223 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.808 3.457 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.387 3.379 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.937 3.040 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.367 4.643 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.217 4.383 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.615 4.223 5.612 1.00 0.00 H new ATOM 273 N LYS A 21 -10.991 1.020 4.622 1.00 0.00 N ATOM 274 CA LYS A 21 -9.802 0.567 5.330 1.00 0.00 C ATOM 275 C LYS A 21 -9.504 -0.903 5.049 1.00 0.00 C ATOM 276 O LYS A 21 -8.372 -1.352 5.206 1.00 0.00 O ATOM 277 CB LYS A 21 -9.926 0.808 6.835 1.00 0.00 C ATOM 278 CG LYS A 21 -11.339 0.681 7.364 1.00 0.00 C ATOM 279 CD LYS A 21 -11.883 -0.723 7.173 1.00 0.00 C ATOM 280 CE LYS A 21 -13.351 -0.775 7.514 1.00 0.00 C ATOM 281 NZ LYS A 21 -13.716 -2.023 8.241 1.00 0.00 N ATOM 0 H LYS A 21 -11.742 1.365 5.220 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.965 1.156 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.287 0.098 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.551 1.805 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.356 0.937 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.985 1.395 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.733 -1.040 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.333 -1.421 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.611 0.089 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.938 -0.705 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.751 -2.123 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.298 -2.842 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.354 -1.976 9.215 1.00 0.00 H new ATOM 295 N GLN A 22 -10.526 -1.656 4.655 1.00 0.00 N ATOM 296 CA GLN A 22 -10.350 -3.073 4.360 1.00 0.00 C ATOM 297 C GLN A 22 -9.615 -3.287 3.040 1.00 0.00 C ATOM 298 O GLN A 22 -8.431 -3.626 3.020 1.00 0.00 O ATOM 299 CB GLN A 22 -11.700 -3.790 4.316 1.00 0.00 C ATOM 300 CG GLN A 22 -11.593 -5.256 3.910 1.00 0.00 C ATOM 301 CD GLN A 22 -12.725 -5.702 3.007 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.279 -4.907 2.246 1.00 0.00 O ATOM 303 NE2 GLN A 22 -13.076 -6.980 3.087 1.00 0.00 N ATOM 0 H GLN A 22 -11.478 -1.312 4.533 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.744 -3.494 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.170 -3.726 5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.355 -3.273 3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.643 -5.418 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.584 -5.876 4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.590 -7.603 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.832 -7.339 2.504 1.00 0.00 H new ATOM 312 N MET A 23 -10.350 -3.150 1.941 1.00 0.00 N ATOM 313 CA MET A 23 -9.809 -3.410 0.609 1.00 0.00 C ATOM 314 C MET A 23 -8.777 -2.367 0.166 1.00 0.00 C ATOM 315 O MET A 23 -7.587 -2.492 0.456 1.00 0.00 O ATOM 316 CB MET A 23 -10.941 -3.501 -0.428 1.00 0.00 C ATOM 317 CG MET A 23 -12.281 -2.946 0.042 1.00 0.00 C ATOM 318 SD MET A 23 -12.272 -1.151 0.203 1.00 0.00 S ATOM 319 CE MET A 23 -13.898 -0.743 -0.425 1.00 0.00 C ATOM 0 H MET A 23 -11.328 -2.859 1.946 1.00 0.00 H new ATOM 0 HA MET A 23 -9.291 -4.367 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.636 -2.965 -1.327 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.074 -4.545 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.059 -3.240 -0.663 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.537 -3.392 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.937 0.318 -0.673 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.101 -1.333 -1.319 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.648 -0.965 0.334 1.00 0.00 H new ATOM 329 N LEU A 24 -9.240 -1.378 -0.596 1.00 0.00 N ATOM 330 CA LEU A 24 -8.372 -0.363 -1.192 1.00 0.00 C ATOM 331 C LEU A 24 -7.601 0.464 -0.164 1.00 0.00 C ATOM 332 O LEU A 24 -6.837 1.355 -0.536 1.00 0.00 O ATOM 333 CB LEU A 24 -9.224 0.562 -2.080 1.00 0.00 C ATOM 334 CG LEU A 24 -9.817 1.822 -1.425 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.925 2.388 -2.297 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.352 1.540 -0.036 1.00 0.00 C ATOM 0 H LEU A 24 -10.228 -1.257 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.620 -0.887 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.611 0.878 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.047 -0.026 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.013 2.552 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.339 3.279 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.521 2.649 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.711 1.642 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.761 2.456 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.136 0.785 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.544 1.175 0.598 1.00 0.00 H new ATOM 348 N GLY A 25 -7.829 0.211 1.120 1.00 0.00 N ATOM 349 CA GLY A 25 -7.214 1.048 2.128 1.00 0.00 C ATOM 350 C GLY A 25 -7.769 2.441 1.994 1.00 0.00 C ATOM 351 O GLY A 25 -8.972 2.653 2.128 1.00 0.00 O ATOM 0 H GLY A 25 -8.417 -0.543 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.417 0.653 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.131 1.058 2.003 1.00 0.00 H new ATOM 355 N GLU A 26 -6.914 3.387 1.670 1.00 0.00 N ATOM 356 CA GLU A 26 -7.394 4.695 1.282 1.00 0.00 C ATOM 357 C GLU A 26 -7.920 4.583 -0.147 1.00 0.00 C ATOM 358 O GLU A 26 -9.123 4.632 -0.400 1.00 0.00 O ATOM 359 CB GLU A 26 -6.283 5.742 1.381 1.00 0.00 C ATOM 360 CG GLU A 26 -6.417 6.652 2.591 1.00 0.00 C ATOM 361 CD GLU A 26 -6.532 5.883 3.892 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.661 5.491 4.253 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.492 5.672 4.551 1.00 0.00 O ATOM 0 H GLU A 26 -5.900 3.278 1.667 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.188 5.022 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.319 5.235 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.285 6.350 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.552 7.314 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.296 7.285 2.469 1.00 0.00 H new ATOM 370 N ARG A 27 -6.977 4.371 -1.059 1.00 0.00 N ATOM 371 CA ARG A 27 -7.255 4.115 -2.469 1.00 0.00 C ATOM 372 C ARG A 27 -6.033 3.444 -3.075 1.00 0.00 C ATOM 373 O ARG A 27 -5.912 3.292 -4.290 1.00 0.00 O ATOM 374 CB ARG A 27 -7.558 5.417 -3.213 1.00 0.00 C ATOM 375 CG ARG A 27 -8.256 5.215 -4.550 1.00 0.00 C ATOM 376 CD ARG A 27 -9.523 4.388 -4.401 1.00 0.00 C ATOM 377 NE ARG A 27 -10.663 4.994 -5.085 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.713 5.513 -4.456 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.770 5.497 -3.130 1.00 0.00 N ATOM 380 NH2 ARG A 27 -12.707 6.046 -5.151 1.00 0.00 N ATOM 0 H ARG A 27 -5.982 4.372 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.130 3.472 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.182 6.049 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.625 5.955 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.503 6.185 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.577 4.720 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.351 3.389 -4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.757 4.272 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.653 5.020 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.007 5.086 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.576 5.896 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.667 6.059 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.512 6.444 -4.667 1.00 0.00 H new ATOM 394 N LEU A 28 -5.116 3.083 -2.187 1.00 0.00 N ATOM 395 CA LEU A 28 -3.810 2.562 -2.556 1.00 0.00 C ATOM 396 C LEU A 28 -3.867 1.296 -3.401 1.00 0.00 C ATOM 397 O LEU A 28 -3.554 1.329 -4.591 1.00 0.00 O ATOM 398 CB LEU A 28 -3.012 2.309 -1.280 1.00 0.00 C ATOM 399 CG LEU A 28 -2.121 3.477 -0.850 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.441 3.902 0.574 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.654 3.109 -0.982 1.00 0.00 C ATOM 0 H LEU A 28 -5.262 3.145 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.326 3.311 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.706 2.080 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.389 1.426 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.323 4.320 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.796 4.733 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.484 4.214 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.273 3.064 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.038 3.953 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.436 2.248 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.433 2.861 -2.020 1.00 0.00 H new ATOM 413 N PHE A 29 -4.194 0.175 -2.766 1.00 0.00 N ATOM 414 CA PHE A 29 -4.196 -1.127 -3.432 1.00 0.00 C ATOM 415 C PHE A 29 -4.646 -1.054 -4.901 1.00 0.00 C ATOM 416 O PHE A 29 -3.963 -1.587 -5.769 1.00 0.00 O ATOM 417 CB PHE A 29 -5.058 -2.128 -2.656 1.00 0.00 C ATOM 418 CG PHE A 29 -4.353 -3.424 -2.355 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.651 -4.101 -3.345 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.391 -3.968 -1.080 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.005 -5.289 -3.066 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.744 -5.156 -0.798 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.057 -5.821 -1.794 1.00 0.00 C ATOM 0 H PHE A 29 -4.463 0.141 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.162 -1.471 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.376 -1.671 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.960 -2.340 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.610 -3.693 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.933 -3.457 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.459 -5.802 -3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.776 -5.564 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.561 -6.756 -1.578 1.00 0.00 H new ATOM 433 N PRO A 30 -5.780 -0.389 -5.217 1.00 0.00 N ATOM 434 CA PRO A 30 -6.284 -0.303 -6.600 1.00 0.00 C ATOM 435 C PRO A 30 -5.296 0.340 -7.574 1.00 0.00 C ATOM 436 O PRO A 30 -5.106 -0.152 -8.690 1.00 0.00 O ATOM 437 CB PRO A 30 -7.535 0.568 -6.478 1.00 0.00 C ATOM 438 CG PRO A 30 -7.960 0.422 -5.063 1.00 0.00 C ATOM 439 CD PRO A 30 -6.695 0.269 -4.267 1.00 0.00 C ATOM 0 HA PRO A 30 -6.465 -1.298 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.318 1.608 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.316 0.237 -7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.526 1.293 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.608 -0.445 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.308 1.233 -3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.851 -0.335 -3.374 1.00 0.00 H new ATOM 447 N LEU A 31 -4.656 1.431 -7.156 1.00 0.00 N ATOM 448 CA LEU A 31 -3.719 2.122 -8.043 1.00 0.00 C ATOM 449 C LEU A 31 -2.471 1.282 -8.235 1.00 0.00 C ATOM 450 O LEU A 31 -2.016 1.068 -9.362 1.00 0.00 O ATOM 451 CB LEU A 31 -3.325 3.497 -7.492 1.00 0.00 C ATOM 452 CG LEU A 31 -4.211 4.035 -6.374 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.360 4.529 -5.215 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.110 5.146 -6.892 1.00 0.00 C ATOM 0 H LEU A 31 -4.764 1.848 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.220 2.269 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.300 3.442 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.331 4.214 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.845 3.224 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.007 4.910 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.760 3.706 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.702 5.326 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.735 5.517 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.497 5.960 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.744 4.759 -7.690 1.00 0.00 H new ATOM 466 N ILE A 32 -1.935 0.780 -7.136 1.00 0.00 N ATOM 467 CA ILE A 32 -0.766 -0.071 -7.207 1.00 0.00 C ATOM 468 C ILE A 32 -1.153 -1.438 -7.747 1.00 0.00 C ATOM 469 O ILE A 32 -0.293 -2.236 -8.102 1.00 0.00 O ATOM 470 CB ILE A 32 -0.081 -0.243 -5.843 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.489 0.883 -4.889 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.427 -0.269 -6.029 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.105 0.754 -3.504 1.00 0.00 C ATOM 0 H ILE A 32 -2.288 0.946 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.057 0.416 -7.876 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.399 -1.188 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.184 1.838 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.576 0.902 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.911 -0.391 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.699 -1.101 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.754 0.667 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.229 1.587 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.220 -0.184 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.193 0.766 -3.572 1.00 0.00 H new ATOM 485 N GLN A 33 -2.455 -1.708 -7.798 1.00 0.00 N ATOM 486 CA GLN A 33 -2.939 -2.965 -8.356 1.00 0.00 C ATOM 487 C GLN A 33 -2.531 -3.028 -9.816 1.00 0.00 C ATOM 488 O GLN A 33 -2.098 -4.068 -10.313 1.00 0.00 O ATOM 489 CB GLN A 33 -4.457 -3.083 -8.207 1.00 0.00 C ATOM 490 CG GLN A 33 -5.089 -4.120 -9.124 1.00 0.00 C ATOM 491 CD GLN A 33 -5.946 -3.497 -10.208 1.00 0.00 C ATOM 492 OE1 GLN A 33 -5.866 -2.296 -10.467 1.00 0.00 O ATOM 493 NE2 GLN A 33 -6.775 -4.313 -10.849 1.00 0.00 N ATOM 0 H GLN A 33 -3.186 -1.080 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.499 -3.802 -7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.692 -3.336 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.908 -2.111 -8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.303 -4.717 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.699 -4.800 -8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.809 -5.302 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.377 -3.951 -11.588 1.00 0.00 H new ATOM 502 N ALA A 34 -2.607 -1.881 -10.477 1.00 0.00 N ATOM 503 CA ALA A 34 -2.139 -1.768 -11.849 1.00 0.00 C ATOM 504 C ALA A 34 -0.620 -1.901 -11.869 1.00 0.00 C ATOM 505 O ALA A 34 -0.037 -2.438 -12.811 1.00 0.00 O ATOM 506 CB ALA A 34 -2.575 -0.445 -12.460 1.00 0.00 C ATOM 0 H ALA A 34 -2.987 -1.019 -10.086 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.578 -2.566 -12.448 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.214 -0.382 -13.487 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.663 -0.382 -12.453 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.161 0.378 -11.878 1.00 0.00 H new ATOM 512 N MET A 35 0.004 -1.444 -10.783 1.00 0.00 N ATOM 513 CA MET A 35 1.453 -1.531 -10.618 1.00 0.00 C ATOM 514 C MET A 35 1.811 -2.701 -9.705 1.00 0.00 C ATOM 515 O MET A 35 2.828 -2.677 -9.011 1.00 0.00 O ATOM 516 CB MET A 35 1.989 -0.227 -10.023 1.00 0.00 C ATOM 517 CG MET A 35 1.354 1.009 -10.630 1.00 0.00 C ATOM 518 SD MET A 35 1.986 2.545 -9.931 1.00 0.00 S ATOM 519 CE MET A 35 0.457 3.445 -9.691 1.00 0.00 C ATOM 0 H MET A 35 -0.478 -1.006 -9.998 1.00 0.00 H new ATOM 0 HA MET A 35 1.908 -1.693 -11.595 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.814 -0.227 -8.947 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.068 -0.184 -10.171 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.528 1.008 -11.706 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.275 0.966 -10.481 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.681 4.480 -9.432 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.128 3.419 -10.610 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.113 2.985 -8.884 1.00 0.00 H new ATOM 529 N HIS A 36 0.949 -3.716 -9.701 1.00 0.00 N ATOM 530 CA HIS A 36 1.123 -4.879 -8.836 1.00 0.00 C ATOM 531 C HIS A 36 2.375 -5.703 -9.170 1.00 0.00 C ATOM 532 O HIS A 36 2.958 -6.299 -8.265 1.00 0.00 O ATOM 533 CB HIS A 36 -0.133 -5.759 -8.868 1.00 0.00 C ATOM 534 CG HIS A 36 -0.080 -6.882 -9.860 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.454 -6.699 -11.169 1.00 0.00 N ATOM 536 CD2 HIS A 36 0.296 -8.173 -9.683 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.293 -7.870 -11.759 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.159 -8.792 -10.898 1.00 0.00 N ATOM 0 H HIS A 36 0.118 -3.755 -10.292 1.00 0.00 H new ATOM 0 HA HIS A 36 1.272 -4.498 -7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.294 -6.176 -7.874 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.995 -5.132 -9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.637 -8.625 -8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.499 -8.060 -12.802 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.363 -9.769 -11.107 1.00 0.00 H new ATOM 546 N PRO A 37 2.817 -5.770 -10.457 1.00 0.00 N ATOM 547 CA PRO A 37 4.016 -6.528 -10.832 1.00 0.00 C ATOM 548 C PRO A 37 5.119 -6.421 -9.784 1.00 0.00 C ATOM 549 O PRO A 37 5.902 -7.352 -9.593 1.00 0.00 O ATOM 550 CB PRO A 37 4.441 -5.861 -12.135 1.00 0.00 C ATOM 551 CG PRO A 37 3.158 -5.436 -12.767 1.00 0.00 C ATOM 552 CD PRO A 37 2.209 -5.116 -11.638 1.00 0.00 C ATOM 0 HA PRO A 37 3.823 -7.597 -10.924 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.095 -5.009 -11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.990 -6.552 -12.775 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.310 -4.565 -13.405 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.756 -6.228 -13.399 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.112 -4.040 -11.492 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.209 -5.502 -11.836 1.00 0.00 H new ATOM 560 N THR A 38 5.150 -5.290 -9.084 1.00 0.00 N ATOM 561 CA THR A 38 6.109 -5.077 -8.011 1.00 0.00 C ATOM 562 C THR A 38 5.658 -5.813 -6.753 1.00 0.00 C ATOM 563 O THR A 38 6.053 -6.956 -6.518 1.00 0.00 O ATOM 564 CB THR A 38 6.261 -3.580 -7.726 1.00 0.00 C ATOM 565 OG1 THR A 38 6.365 -2.850 -8.936 1.00 0.00 O ATOM 566 CG2 THR A 38 7.469 -3.245 -6.880 1.00 0.00 C ATOM 0 H THR A 38 4.518 -4.506 -9.244 1.00 0.00 H new ATOM 0 HA THR A 38 7.077 -5.471 -8.320 1.00 0.00 H new ATOM 0 HB THR A 38 5.366 -3.301 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.731 -2.103 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.513 -2.168 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.392 -3.753 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.374 -3.572 -7.392 1.00 0.00 H new ATOM 574 N LEU A 39 4.812 -5.161 -5.953 1.00 0.00 N ATOM 575 CA LEU A 39 4.286 -5.771 -4.735 1.00 0.00 C ATOM 576 C LEU A 39 3.185 -4.910 -4.115 1.00 0.00 C ATOM 577 O LEU A 39 3.223 -4.623 -2.919 1.00 0.00 O ATOM 578 CB LEU A 39 5.411 -5.991 -3.721 1.00 0.00 C ATOM 579 CG LEU A 39 5.674 -7.453 -3.353 1.00 0.00 C ATOM 580 CD1 LEU A 39 7.109 -7.635 -2.883 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.699 -7.918 -2.282 1.00 0.00 C ATOM 0 H LEU A 39 4.478 -4.213 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 39 3.854 -6.735 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.330 -5.562 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.172 -5.440 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 39 5.523 -8.064 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.278 -8.681 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.793 -7.343 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.286 -7.012 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.901 -8.960 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.817 -7.302 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.679 -7.825 -2.654 1.00 0.00 H new ATOM 593 N ALA A 40 2.203 -4.517 -4.934 1.00 0.00 N ATOM 594 CA ALA A 40 1.089 -3.678 -4.478 1.00 0.00 C ATOM 595 C ALA A 40 0.637 -4.048 -3.066 1.00 0.00 C ATOM 596 O ALA A 40 0.284 -3.177 -2.269 1.00 0.00 O ATOM 597 CB ALA A 40 -0.083 -3.779 -5.448 1.00 0.00 C ATOM 0 H ALA A 40 2.157 -4.768 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 40 1.446 -2.648 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.902 -3.151 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.233 -3.444 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.419 -4.814 -5.506 1.00 0.00 H new ATOM 603 N GLY A 41 0.667 -5.342 -2.764 1.00 0.00 N ATOM 604 CA GLY A 41 0.250 -5.825 -1.458 1.00 0.00 C ATOM 605 C GLY A 41 0.859 -5.060 -0.299 1.00 0.00 C ATOM 606 O GLY A 41 0.135 -4.508 0.529 1.00 0.00 O ATOM 0 H GLY A 41 0.976 -6.072 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.836 -5.766 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.519 -6.878 -1.368 1.00 0.00 H new ATOM 610 N LYS A 42 2.185 -5.061 -0.206 1.00 0.00 N ATOM 611 CA LYS A 42 2.861 -4.395 0.903 1.00 0.00 C ATOM 612 C LYS A 42 2.903 -2.881 0.720 1.00 0.00 C ATOM 613 O LYS A 42 2.899 -2.138 1.701 1.00 0.00 O ATOM 614 CB LYS A 42 4.282 -4.941 1.094 1.00 0.00 C ATOM 615 CG LYS A 42 4.892 -4.625 2.460 1.00 0.00 C ATOM 616 CD LYS A 42 3.836 -4.455 3.546 1.00 0.00 C ATOM 617 CE LYS A 42 4.411 -3.778 4.780 1.00 0.00 C ATOM 618 NZ LYS A 42 5.035 -4.758 5.711 1.00 0.00 N ATOM 0 H LYS A 42 2.808 -5.510 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 42 2.279 -4.609 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.266 -6.022 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.926 -4.530 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.574 -5.426 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.484 -3.713 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.006 -3.864 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.433 -5.430 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.155 -3.041 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.620 -3.237 5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.851 -4.470 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.629 -5.701 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.061 -4.789 5.546 1.00 0.00 H new ATOM 632 N ILE A 43 2.945 -2.424 -0.529 1.00 0.00 N ATOM 633 CA ILE A 43 3.003 -0.991 -0.806 1.00 0.00 C ATOM 634 C ILE A 43 1.866 -0.251 -0.114 1.00 0.00 C ATOM 635 O ILE A 43 2.100 0.701 0.632 1.00 0.00 O ATOM 636 CB ILE A 43 2.944 -0.678 -2.311 1.00 0.00 C ATOM 637 CG1 ILE A 43 3.628 -1.784 -3.125 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.580 0.682 -2.571 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.128 -1.346 -4.486 1.00 0.00 C ATOM 0 H ILE A 43 2.940 -3.018 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 43 3.963 -0.651 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 43 1.903 -0.641 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.469 -2.172 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.926 -2.607 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.539 0.905 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.037 1.449 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.620 0.666 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.597 -2.191 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.290 -0.986 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.858 -0.545 -4.365 1.00 0.00 H new ATOM 651 N THR A 44 0.636 -0.685 -0.373 1.00 0.00 N ATOM 652 CA THR A 44 -0.533 -0.061 0.226 1.00 0.00 C ATOM 653 C THR A 44 -0.373 0.038 1.740 1.00 0.00 C ATOM 654 O THR A 44 -0.567 1.105 2.321 1.00 0.00 O ATOM 655 CB THR A 44 -1.800 -0.847 -0.129 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.954 -0.190 0.367 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.811 -2.259 0.410 1.00 0.00 C ATOM 0 H THR A 44 0.426 -1.466 -0.994 1.00 0.00 H new ATOM 0 HA THR A 44 -0.627 0.948 -0.175 1.00 0.00 H new ATOM 0 HB THR A 44 -1.806 -0.896 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.752 -0.706 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.738 -2.752 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.963 -2.810 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.739 -2.234 1.497 1.00 0.00 H new ATOM 665 N GLY A 45 0.036 -1.065 2.358 1.00 0.00 N ATOM 666 CA GLY A 45 0.224 -1.094 3.799 1.00 0.00 C ATOM 667 C GLY A 45 1.061 0.061 4.319 1.00 0.00 C ATOM 668 O GLY A 45 0.601 0.838 5.154 1.00 0.00 O ATOM 0 H GLY A 45 0.242 -1.945 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.751 -1.075 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.701 -2.034 4.077 1.00 0.00 H new ATOM 672 N MET A 46 2.299 0.165 3.845 1.00 0.00 N ATOM 673 CA MET A 46 3.202 1.225 4.299 1.00 0.00 C ATOM 674 C MET A 46 2.593 2.608 4.084 1.00 0.00 C ATOM 675 O MET A 46 2.516 3.411 5.014 1.00 0.00 O ATOM 676 CB MET A 46 4.564 1.143 3.595 1.00 0.00 C ATOM 677 CG MET A 46 4.610 0.181 2.418 1.00 0.00 C ATOM 678 SD MET A 46 5.640 -1.262 2.743 1.00 0.00 S ATOM 679 CE MET A 46 7.272 -0.596 2.422 1.00 0.00 C ATOM 0 H MET A 46 2.701 -0.466 3.151 1.00 0.00 H new ATOM 0 HA MET A 46 3.353 1.073 5.368 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.838 2.138 3.245 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.317 0.842 4.323 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.598 -0.146 2.181 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.990 0.704 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.721 -1.123 1.580 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.192 0.465 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.897 -0.724 3.306 1.00 0.00 H new ATOM 689 N LEU A 47 2.175 2.888 2.853 1.00 0.00 N ATOM 690 CA LEU A 47 1.607 4.191 2.520 1.00 0.00 C ATOM 691 C LEU A 47 0.144 4.299 2.948 1.00 0.00 C ATOM 692 O LEU A 47 -0.542 5.256 2.587 1.00 0.00 O ATOM 693 CB LEU A 47 1.730 4.460 1.015 1.00 0.00 C ATOM 694 CG LEU A 47 3.162 4.608 0.484 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.971 5.552 1.364 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.843 3.251 0.383 1.00 0.00 C ATOM 0 H LEU A 47 2.218 2.233 2.072 1.00 0.00 H new ATOM 0 HA LEU A 47 2.174 4.942 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.244 3.646 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.178 5.370 0.780 1.00 0.00 H new ATOM 0 HG LEU A 47 3.109 5.038 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.983 5.641 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.498 6.534 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.012 5.157 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.857 3.380 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.880 2.788 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.280 2.611 -0.297 1.00 0.00 H new ATOM 708 N LEU A 48 -0.330 3.325 3.722 1.00 0.00 N ATOM 709 CA LEU A 48 -1.713 3.337 4.194 1.00 0.00 C ATOM 710 C LEU A 48 -1.948 4.504 5.147 1.00 0.00 C ATOM 711 O LEU A 48 -3.087 4.903 5.388 1.00 0.00 O ATOM 712 CB LEU A 48 -2.065 2.018 4.888 1.00 0.00 C ATOM 713 CG LEU A 48 -3.412 1.401 4.492 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.481 2.470 4.357 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.281 0.623 3.196 1.00 0.00 C ATOM 0 H LEU A 48 0.218 2.523 4.034 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.360 3.457 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.278 1.295 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.064 2.183 5.965 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.713 0.715 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.426 2.006 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.600 2.988 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.185 3.185 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.247 0.192 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.952 1.293 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.550 -0.176 3.323 1.00 0.00 H new ATOM 727 N GLU A 49 -0.862 5.063 5.669 1.00 0.00 N ATOM 728 CA GLU A 49 -0.950 6.195 6.586 1.00 0.00 C ATOM 729 C GLU A 49 -1.291 7.480 5.833 1.00 0.00 C ATOM 730 O GLU A 49 -1.107 8.583 6.351 1.00 0.00 O ATOM 731 CB GLU A 49 0.367 6.357 7.344 1.00 0.00 C ATOM 732 CG GLU A 49 0.841 5.077 8.013 1.00 0.00 C ATOM 733 CD GLU A 49 0.934 5.206 9.521 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.208 6.324 10.005 1.00 0.00 O ATOM 735 OE2 GLU A 49 0.728 4.190 10.218 1.00 0.00 O ATOM 0 H GLU A 49 0.089 4.752 5.473 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.749 5.999 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.135 6.703 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.248 7.132 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.157 4.266 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.818 4.804 7.615 1.00 0.00 H new ATOM 742 N ILE A 50 -1.800 7.325 4.613 1.00 0.00 N ATOM 743 CA ILE A 50 -2.172 8.462 3.778 1.00 0.00 C ATOM 744 C ILE A 50 -3.581 8.957 4.125 1.00 0.00 C ATOM 745 O ILE A 50 -4.364 8.236 4.743 1.00 0.00 O ATOM 746 CB ILE A 50 -2.072 8.088 2.277 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.086 9.015 1.567 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.428 8.125 1.589 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.682 8.520 0.195 1.00 0.00 C ATOM 0 H ILE A 50 -1.965 6.416 4.180 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.473 9.275 3.976 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.707 7.063 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.532 10.005 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.194 9.126 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.311 7.856 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.101 7.416 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.846 9.129 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.019 9.224 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.207 7.543 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.566 8.436 -0.436 1.00 0.00 H new ATOM 761 N ASP A 51 -3.882 10.200 3.751 1.00 0.00 N ATOM 762 CA ASP A 51 -5.179 10.802 4.054 1.00 0.00 C ATOM 763 C ASP A 51 -6.303 10.179 3.233 1.00 0.00 C ATOM 764 O ASP A 51 -6.070 9.640 2.150 1.00 0.00 O ATOM 765 CB ASP A 51 -5.133 12.306 3.784 1.00 0.00 C ATOM 766 CG ASP A 51 -4.504 13.083 4.923 1.00 0.00 C ATOM 767 OD1 ASP A 51 -3.491 12.606 5.479 1.00 0.00 O ATOM 768 OD2 ASP A 51 -5.019 14.170 5.257 1.00 0.00 O ATOM 0 H ASP A 51 -3.245 10.809 3.238 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.385 10.615 5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.570 12.490 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.146 12.672 3.615 1.00 0.00 H new ATOM 773 N ASN A 52 -7.529 10.290 3.742 1.00 0.00 N ATOM 774 CA ASN A 52 -8.701 9.775 3.043 1.00 0.00 C ATOM 775 C ASN A 52 -9.200 10.797 2.025 1.00 0.00 C ATOM 776 O ASN A 52 -9.777 10.444 0.999 1.00 0.00 O ATOM 777 CB ASN A 52 -9.816 9.434 4.036 1.00 0.00 C ATOM 778 CG ASN A 52 -9.830 7.964 4.417 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.673 7.185 3.745 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.102 7.535 5.312 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.735 10.733 4.637 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.415 8.864 2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.693 10.037 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.779 9.702 3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.470 8.168 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.131 6.547 5.563 1.00 0.00 H new ATOM 787 N SER A 53 -8.979 12.071 2.318 1.00 0.00 N ATOM 788 CA SER A 53 -9.362 13.132 1.396 1.00 0.00 C ATOM 789 C SER A 53 -8.394 13.161 0.220 1.00 0.00 C ATOM 790 O SER A 53 -8.780 13.412 -0.925 1.00 0.00 O ATOM 791 CB SER A 53 -9.369 14.486 2.109 1.00 0.00 C ATOM 792 OG SER A 53 -10.564 14.670 2.847 1.00 0.00 O ATOM 0 H SER A 53 -8.540 12.394 3.180 1.00 0.00 H new ATOM 0 HA SER A 53 -10.369 12.934 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.511 14.552 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.264 15.286 1.376 1.00 0.00 H new ATOM 0 HG SER A 53 -10.542 15.542 3.294 1.00 0.00 H new ATOM 798 N GLU A 54 -7.133 12.864 0.515 1.00 0.00 N ATOM 799 CA GLU A 54 -6.094 12.842 -0.499 1.00 0.00 C ATOM 800 C GLU A 54 -6.192 11.573 -1.345 1.00 0.00 C ATOM 801 O GLU A 54 -5.711 11.536 -2.477 1.00 0.00 O ATOM 802 CB GLU A 54 -4.714 12.970 0.166 1.00 0.00 C ATOM 803 CG GLU A 54 -3.851 11.720 0.096 1.00 0.00 C ATOM 804 CD GLU A 54 -2.472 12.005 -0.464 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.388 12.538 -1.590 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.476 11.705 0.226 1.00 0.00 O ATOM 0 H GLU A 54 -6.808 12.635 1.454 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.231 13.691 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.175 13.793 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.855 13.238 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.754 11.291 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.346 10.974 -0.525 1.00 0.00 H new ATOM 813 N LEU A 55 -6.837 10.541 -0.800 1.00 0.00 N ATOM 814 CA LEU A 55 -7.013 9.288 -1.530 1.00 0.00 C ATOM 815 C LEU A 55 -7.909 9.511 -2.741 1.00 0.00 C ATOM 816 O LEU A 55 -7.587 9.094 -3.853 1.00 0.00 O ATOM 817 CB LEU A 55 -7.589 8.192 -0.613 1.00 0.00 C ATOM 818 CG LEU A 55 -9.120 8.149 -0.459 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.784 7.439 -1.630 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.500 7.463 0.844 1.00 0.00 C ATOM 0 H LEU A 55 -7.242 10.548 0.136 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.037 8.949 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.258 7.225 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.151 8.314 0.378 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.477 9.179 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.864 7.429 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.547 7.964 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.417 6.414 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.586 7.440 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.114 6.444 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.074 8.013 1.683 1.00 0.00 H new ATOM 832 N LEU A 56 -9.028 10.190 -2.513 1.00 0.00 N ATOM 833 CA LEU A 56 -9.980 10.483 -3.575 1.00 0.00 C ATOM 834 C LEU A 56 -9.300 11.226 -4.717 1.00 0.00 C ATOM 835 O LEU A 56 -9.487 10.894 -5.887 1.00 0.00 O ATOM 836 CB LEU A 56 -11.135 11.321 -3.023 1.00 0.00 C ATOM 837 CG LEU A 56 -12.476 11.137 -3.735 1.00 0.00 C ATOM 838 CD1 LEU A 56 -13.596 11.734 -2.901 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.443 11.772 -5.116 1.00 0.00 C ATOM 0 H LEU A 56 -9.298 10.549 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.370 9.541 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.266 11.078 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.856 12.373 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.661 10.070 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.546 11.598 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.634 11.235 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.413 12.798 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.407 11.630 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.238 12.838 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.660 11.304 -5.713 1.00 0.00 H new ATOM 851 N HIS A 57 -8.482 12.211 -4.361 1.00 0.00 N ATOM 852 CA HIS A 57 -7.772 13.014 -5.354 1.00 0.00 C ATOM 853 C HIS A 57 -6.923 12.142 -6.279 1.00 0.00 C ATOM 854 O HIS A 57 -6.852 12.391 -7.481 1.00 0.00 O ATOM 855 CB HIS A 57 -6.878 14.041 -4.654 1.00 0.00 C ATOM 856 CG HIS A 57 -6.851 15.377 -5.329 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.486 15.588 -6.530 1.00 0.00 N ATOM 858 CD2 HIS A 57 -6.257 16.529 -4.934 1.00 0.00 C ATOM 859 CE1 HIS A 57 -7.266 16.854 -6.839 1.00 0.00 C ATOM 860 NE2 HIS A 57 -6.526 17.463 -5.900 1.00 0.00 N ATOM 0 H HIS A 57 -8.293 12.473 -3.394 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.518 13.527 -5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.222 14.169 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.862 13.650 -4.603 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.683 16.682 -4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.634 17.336 -7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.221 18.436 -5.904 1.00 0.00 H new ATOM 868 N MET A 58 -6.283 11.124 -5.713 1.00 0.00 N ATOM 869 CA MET A 58 -5.416 10.226 -6.479 1.00 0.00 C ATOM 870 C MET A 58 -6.162 9.564 -7.635 1.00 0.00 C ATOM 871 O MET A 58 -5.708 9.607 -8.778 1.00 0.00 O ATOM 872 CB MET A 58 -4.832 9.155 -5.556 1.00 0.00 C ATOM 873 CG MET A 58 -3.747 9.668 -4.617 1.00 0.00 C ATOM 874 SD MET A 58 -3.609 11.469 -4.592 1.00 0.00 S ATOM 875 CE MET A 58 -2.000 11.705 -5.342 1.00 0.00 C ATOM 0 H MET A 58 -6.347 10.897 -4.721 1.00 0.00 H new ATOM 0 HA MET A 58 -4.611 10.826 -6.904 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.638 8.724 -4.962 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.420 8.351 -6.165 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.954 9.313 -3.607 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.789 9.242 -4.915 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.476 12.514 -4.833 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.420 10.786 -5.255 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.123 11.958 -6.395 1.00 0.00 H new ATOM 885 N LEU A 59 -7.294 8.937 -7.334 1.00 0.00 N ATOM 886 CA LEU A 59 -8.081 8.258 -8.359 1.00 0.00 C ATOM 887 C LEU A 59 -8.563 9.238 -9.422 1.00 0.00 C ATOM 888 O LEU A 59 -8.897 8.841 -10.539 1.00 0.00 O ATOM 889 CB LEU A 59 -9.267 7.532 -7.732 1.00 0.00 C ATOM 890 CG LEU A 59 -9.720 6.285 -8.489 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.193 5.026 -7.817 1.00 0.00 C ATOM 892 CD2 LEU A 59 -11.233 6.252 -8.587 1.00 0.00 C ATOM 0 H LEU A 59 -7.686 8.884 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.437 7.523 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.005 7.248 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.106 8.225 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.310 6.323 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.527 4.150 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.103 5.051 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.570 4.974 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.543 5.358 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.662 6.236 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.583 7.138 -9.118 1.00 0.00 H new ATOM 904 N GLU A 60 -8.572 10.519 -9.079 1.00 0.00 N ATOM 905 CA GLU A 60 -8.989 11.554 -10.014 1.00 0.00 C ATOM 906 C GLU A 60 -7.777 12.280 -10.586 1.00 0.00 C ATOM 907 O GLU A 60 -7.904 13.110 -11.487 1.00 0.00 O ATOM 908 CB GLU A 60 -9.915 12.554 -9.320 1.00 0.00 C ATOM 909 CG GLU A 60 -10.939 11.902 -8.408 1.00 0.00 C ATOM 910 CD GLU A 60 -12.352 12.383 -8.675 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.509 13.505 -9.202 1.00 0.00 O ATOM 912 OE2 GLU A 60 -13.303 11.638 -8.357 1.00 0.00 O ATOM 0 H GLU A 60 -8.295 10.866 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.530 11.078 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.312 13.250 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.436 13.140 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.898 10.820 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.679 12.110 -7.370 1.00 0.00 H new ATOM 919 N SER A 61 -6.603 11.952 -10.059 1.00 0.00 N ATOM 920 CA SER A 61 -5.359 12.567 -10.502 1.00 0.00 C ATOM 921 C SER A 61 -4.376 11.508 -10.985 1.00 0.00 C ATOM 922 O SER A 61 -3.490 11.098 -10.243 1.00 0.00 O ATOM 923 CB SER A 61 -4.731 13.369 -9.361 1.00 0.00 C ATOM 924 OG SER A 61 -5.488 14.531 -9.072 1.00 0.00 O ATOM 0 H SER A 61 -6.487 11.259 -9.320 1.00 0.00 H new ATOM 0 HA SER A 61 -5.587 13.237 -11.331 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.663 12.745 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.713 13.653 -9.630 1.00 0.00 H new ATOM 0 HG SER A 61 -6.225 14.300 -8.469 1.00 0.00 H new ATOM 930 N PRO A 62 -4.517 11.043 -12.236 1.00 0.00 N ATOM 931 CA PRO A 62 -3.624 10.027 -12.800 1.00 0.00 C ATOM 932 C PRO A 62 -2.163 10.469 -12.781 1.00 0.00 C ATOM 933 O PRO A 62 -1.256 9.644 -12.674 1.00 0.00 O ATOM 934 CB PRO A 62 -4.117 9.862 -14.244 1.00 0.00 C ATOM 935 CG PRO A 62 -4.940 11.076 -14.519 1.00 0.00 C ATOM 936 CD PRO A 62 -5.539 11.474 -13.202 1.00 0.00 C ATOM 0 HA PRO A 62 -3.652 9.101 -12.225 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.281 9.788 -14.939 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.707 8.953 -14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.327 11.879 -14.928 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.717 10.863 -15.253 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.720 12.548 -13.148 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.495 10.981 -13.027 1.00 0.00 H new ATOM 944 N GLU A 63 -1.946 11.775 -12.892 1.00 0.00 N ATOM 945 CA GLU A 63 -0.599 12.333 -12.901 1.00 0.00 C ATOM 946 C GLU A 63 -0.005 12.414 -11.496 1.00 0.00 C ATOM 947 O GLU A 63 1.129 11.994 -11.268 1.00 0.00 O ATOM 948 CB GLU A 63 -0.615 13.727 -13.532 1.00 0.00 C ATOM 949 CG GLU A 63 -1.312 13.779 -14.881 1.00 0.00 C ATOM 950 CD GLU A 63 -0.449 14.400 -15.960 1.00 0.00 C ATOM 951 OE1 GLU A 63 -0.480 15.640 -16.107 1.00 0.00 O ATOM 952 OE2 GLU A 63 0.262 13.646 -16.658 1.00 0.00 O ATOM 0 H GLU A 63 -2.689 12.469 -12.977 1.00 0.00 H new ATOM 0 HA GLU A 63 0.028 11.665 -13.491 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.110 14.419 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.411 14.075 -13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.591 12.769 -15.181 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.236 14.350 -14.787 1.00 0.00 H new ATOM 959 N SER A 64 -0.762 12.994 -10.568 1.00 0.00 N ATOM 960 CA SER A 64 -0.291 13.183 -9.197 1.00 0.00 C ATOM 961 C SER A 64 -0.292 11.877 -8.408 1.00 0.00 C ATOM 962 O SER A 64 0.496 11.702 -7.479 1.00 0.00 O ATOM 963 CB SER A 64 -1.168 14.213 -8.482 1.00 0.00 C ATOM 964 OG SER A 64 -1.049 15.490 -9.082 1.00 0.00 O ATOM 0 H SER A 64 -1.705 13.342 -10.740 1.00 0.00 H new ATOM 0 HA SER A 64 0.737 13.541 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.209 13.891 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.881 14.273 -7.432 1.00 0.00 H new ATOM 0 HG SER A 64 -1.621 16.129 -8.607 1.00 0.00 H new ATOM 970 N LEU A 65 -1.203 10.981 -8.759 1.00 0.00 N ATOM 971 CA LEU A 65 -1.335 9.706 -8.062 1.00 0.00 C ATOM 972 C LEU A 65 -0.264 8.721 -8.517 1.00 0.00 C ATOM 973 O LEU A 65 0.522 8.241 -7.702 1.00 0.00 O ATOM 974 CB LEU A 65 -2.753 9.146 -8.278 1.00 0.00 C ATOM 975 CG LEU A 65 -2.971 7.633 -8.088 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.769 6.904 -9.403 1.00 0.00 C ATOM 977 CD2 LEU A 65 -2.086 7.046 -6.996 1.00 0.00 C ATOM 0 H LEU A 65 -1.864 11.112 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.186 9.864 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.425 9.668 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.063 9.403 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.001 7.493 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.926 5.836 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.482 7.277 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.754 7.075 -9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.281 5.977 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.038 7.203 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.304 7.537 -6.048 1.00 0.00 H new ATOM 989 N ARG A 66 -0.247 8.398 -9.804 1.00 0.00 N ATOM 990 CA ARG A 66 0.724 7.443 -10.316 1.00 0.00 C ATOM 991 C ARG A 66 2.137 7.860 -9.932 1.00 0.00 C ATOM 992 O ARG A 66 2.999 7.016 -9.691 1.00 0.00 O ATOM 993 CB ARG A 66 0.607 7.300 -11.831 1.00 0.00 C ATOM 994 CG ARG A 66 0.573 5.850 -12.288 1.00 0.00 C ATOM 995 CD ARG A 66 1.448 5.627 -13.510 1.00 0.00 C ATOM 996 NE ARG A 66 2.676 4.909 -13.181 1.00 0.00 N ATOM 997 CZ ARG A 66 3.814 5.510 -12.844 1.00 0.00 C ATOM 998 NH1 ARG A 66 3.880 6.834 -12.787 1.00 0.00 N ATOM 999 NH2 ARG A 66 4.888 4.785 -12.560 1.00 0.00 N ATOM 0 H ARG A 66 -0.885 8.778 -10.503 1.00 0.00 H new ATOM 0 HA ARG A 66 0.511 6.474 -9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.298 7.804 -12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.449 7.805 -12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.909 5.204 -11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.454 5.565 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.889 5.065 -14.258 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.699 6.589 -13.956 1.00 0.00 H new ATOM 0 HE ARG A 66 2.660 3.890 -13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.056 7.395 -13.002 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.755 7.290 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.841 3.767 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.761 5.246 -12.302 1.00 0.00 H new ATOM 1013 N SER A 67 2.355 9.168 -9.838 1.00 0.00 N ATOM 1014 CA SER A 67 3.650 9.702 -9.430 1.00 0.00 C ATOM 1015 C SER A 67 3.919 9.364 -7.966 1.00 0.00 C ATOM 1016 O SER A 67 5.048 9.055 -7.583 1.00 0.00 O ATOM 1017 CB SER A 67 3.688 11.217 -9.631 1.00 0.00 C ATOM 1018 OG SER A 67 4.087 11.548 -10.949 1.00 0.00 O ATOM 0 H SER A 67 1.651 9.878 -10.039 1.00 0.00 H new ATOM 0 HA SER A 67 4.424 9.247 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.703 11.638 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.378 11.664 -8.916 1.00 0.00 H new ATOM 0 HG SER A 67 3.301 11.808 -11.473 1.00 0.00 H new ATOM 1024 N LYS A 68 2.859 9.392 -7.163 1.00 0.00 N ATOM 1025 CA LYS A 68 2.959 9.058 -5.749 1.00 0.00 C ATOM 1026 C LYS A 68 3.336 7.598 -5.587 1.00 0.00 C ATOM 1027 O LYS A 68 4.367 7.265 -5.002 1.00 0.00 O ATOM 1028 CB LYS A 68 1.621 9.291 -5.050 1.00 0.00 C ATOM 1029 CG LYS A 68 1.548 10.580 -4.245 1.00 0.00 C ATOM 1030 CD LYS A 68 0.783 10.388 -2.940 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.451 9.513 -3.123 1.00 0.00 C ATOM 1032 NZ LYS A 68 -1.614 10.017 -2.346 1.00 0.00 N ATOM 0 H LYS A 68 1.919 9.643 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 68 3.723 9.695 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.830 9.300 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.421 8.450 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.557 10.930 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.063 11.354 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.441 9.936 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.483 11.360 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.712 9.472 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.222 8.494 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.296 9.245 -2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.289 10.367 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.071 10.791 -2.869 1.00 0.00 H new ATOM 1046 N VAL A 69 2.480 6.733 -6.111 1.00 0.00 N ATOM 1047 CA VAL A 69 2.698 5.303 -6.030 1.00 0.00 C ATOM 1048 C VAL A 69 3.952 4.904 -6.799 1.00 0.00 C ATOM 1049 O VAL A 69 4.537 3.851 -6.546 1.00 0.00 O ATOM 1050 CB VAL A 69 1.477 4.523 -6.550 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.775 3.037 -6.657 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.286 4.760 -5.639 1.00 0.00 C ATOM 0 H VAL A 69 1.625 7.002 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 69 2.839 5.047 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 69 1.241 4.886 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.893 2.515 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.605 2.881 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.042 2.648 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.574 4.205 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.526 4.421 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.050 5.824 -5.618 1.00 0.00 H new ATOM 1062 N ASP A 70 4.389 5.769 -7.712 1.00 0.00 N ATOM 1063 CA ASP A 70 5.615 5.521 -8.456 1.00 0.00 C ATOM 1064 C ASP A 70 6.759 5.295 -7.479 1.00 0.00 C ATOM 1065 O ASP A 70 7.471 4.290 -7.552 1.00 0.00 O ATOM 1066 CB ASP A 70 5.936 6.698 -9.379 1.00 0.00 C ATOM 1067 CG ASP A 70 7.293 6.563 -10.041 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.366 5.943 -11.122 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.282 7.076 -9.477 1.00 0.00 O ATOM 0 H ASP A 70 3.915 6.640 -7.951 1.00 0.00 H new ATOM 0 HA ASP A 70 5.481 4.633 -9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.166 6.774 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.906 7.624 -8.805 1.00 0.00 H new ATOM 1074 N GLU A 71 6.896 6.216 -6.530 1.00 0.00 N ATOM 1075 CA GLU A 71 7.905 6.086 -5.490 1.00 0.00 C ATOM 1076 C GLU A 71 7.539 4.940 -4.558 1.00 0.00 C ATOM 1077 O GLU A 71 8.410 4.274 -4.003 1.00 0.00 O ATOM 1078 CB GLU A 71 8.038 7.385 -4.696 1.00 0.00 C ATOM 1079 CG GLU A 71 9.313 7.460 -3.873 1.00 0.00 C ATOM 1080 CD GLU A 71 10.286 8.502 -4.393 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.968 8.225 -5.403 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.365 9.592 -3.790 1.00 0.00 O ATOM 0 H GLU A 71 6.322 7.057 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 71 8.864 5.875 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.009 8.229 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.179 7.486 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.059 7.690 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.798 6.484 -3.873 1.00 0.00 H new ATOM 1089 N ALA A 72 6.236 4.712 -4.407 1.00 0.00 N ATOM 1090 CA ALA A 72 5.738 3.624 -3.574 1.00 0.00 C ATOM 1091 C ALA A 72 6.302 2.291 -4.052 1.00 0.00 C ATOM 1092 O ALA A 72 6.735 1.462 -3.251 1.00 0.00 O ATOM 1093 CB ALA A 72 4.221 3.610 -3.582 1.00 0.00 C ATOM 0 H ALA A 72 5.506 5.268 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 72 6.070 3.782 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.861 2.793 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.846 4.557 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.864 3.470 -4.602 1.00 0.00 H new ATOM 1099 N VAL A 73 6.329 2.109 -5.369 1.00 0.00 N ATOM 1100 CA VAL A 73 6.904 0.909 -5.958 1.00 0.00 C ATOM 1101 C VAL A 73 8.383 0.828 -5.597 1.00 0.00 C ATOM 1102 O VAL A 73 8.938 -0.258 -5.426 1.00 0.00 O ATOM 1103 CB VAL A 73 6.742 0.904 -7.497 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.682 -0.101 -8.146 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.295 0.619 -7.886 1.00 0.00 C ATOM 0 H VAL A 73 5.960 2.777 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 73 6.374 0.043 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 73 7.008 1.895 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.545 -0.082 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.713 0.158 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.462 -1.100 -7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.203 0.620 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.999 -0.356 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.647 1.389 -7.466 1.00 0.00 H new ATOM 1115 N ALA A 74 9.002 1.996 -5.447 1.00 0.00 N ATOM 1116 CA ALA A 74 10.414 2.077 -5.098 1.00 0.00 C ATOM 1117 C ALA A 74 10.652 1.709 -3.635 1.00 0.00 C ATOM 1118 O ALA A 74 11.664 1.087 -3.306 1.00 0.00 O ATOM 1119 CB ALA A 74 10.952 3.471 -5.387 1.00 0.00 C ATOM 0 H ALA A 74 8.545 2.901 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 74 10.950 1.355 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.008 3.516 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.835 3.693 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.399 4.204 -4.800 1.00 0.00 H new ATOM 1125 N VAL A 75 9.730 2.102 -2.757 1.00 0.00 N ATOM 1126 CA VAL A 75 9.863 1.796 -1.335 1.00 0.00 C ATOM 1127 C VAL A 75 9.947 0.285 -1.126 1.00 0.00 C ATOM 1128 O VAL A 75 10.566 -0.189 -0.173 1.00 0.00 O ATOM 1129 CB VAL A 75 8.707 2.391 -0.490 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.216 3.699 -1.088 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.555 1.409 -0.347 1.00 0.00 C ATOM 0 H VAL A 75 8.891 2.628 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 75 10.786 2.263 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 75 9.102 2.590 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.405 4.097 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.036 4.417 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.854 3.523 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.764 1.861 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.166 1.159 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.908 0.502 0.144 1.00 0.00 H new ATOM 1141 N LEU A 76 9.341 -0.463 -2.046 1.00 0.00 N ATOM 1142 CA LEU A 76 9.367 -1.922 -1.991 1.00 0.00 C ATOM 1143 C LEU A 76 10.750 -2.446 -2.335 1.00 0.00 C ATOM 1144 O LEU A 76 11.347 -3.204 -1.571 1.00 0.00 O ATOM 1145 CB LEU A 76 8.343 -2.510 -2.963 1.00 0.00 C ATOM 1146 CG LEU A 76 6.916 -2.608 -2.425 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.786 -3.779 -1.463 1.00 0.00 C ATOM 1148 CD2 LEU A 76 6.512 -1.309 -1.747 1.00 0.00 C ATOM 0 H LEU A 76 8.826 -0.082 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 76 9.115 -2.226 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.332 -1.901 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.673 -3.507 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 76 6.243 -2.780 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.763 -3.832 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.032 -4.705 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.470 -3.640 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.493 -1.397 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.189 -1.105 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.563 -0.492 -2.466 1.00 0.00 H new ATOM 1160 N GLN A 77 11.248 -2.039 -3.497 1.00 0.00 N ATOM 1161 CA GLN A 77 12.569 -2.453 -3.952 1.00 0.00 C ATOM 1162 C GLN A 77 13.608 -2.199 -2.866 1.00 0.00 C ATOM 1163 O GLN A 77 14.569 -2.954 -2.719 1.00 0.00 O ATOM 1164 CB GLN A 77 12.947 -1.704 -5.231 1.00 0.00 C ATOM 1165 CG GLN A 77 12.275 -2.252 -6.479 1.00 0.00 C ATOM 1166 CD GLN A 77 12.622 -3.705 -6.738 1.00 0.00 C ATOM 1167 OE1 GLN A 77 13.757 -4.032 -7.087 1.00 0.00 O ATOM 1168 NE2 GLN A 77 11.643 -4.587 -6.569 1.00 0.00 N ATOM 0 H GLN A 77 10.755 -1.421 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 77 12.544 -3.521 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.682 -0.653 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.028 -1.748 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.194 -2.153 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.571 -1.653 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.717 -4.272 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.817 -5.579 -6.729 1.00 0.00 H new ATOM 1177 N ALA A 78 13.393 -1.136 -2.096 1.00 0.00 N ATOM 1178 CA ALA A 78 14.283 -0.793 -0.994 1.00 0.00 C ATOM 1179 C ALA A 78 13.959 -1.628 0.243 1.00 0.00 C ATOM 1180 O ALA A 78 14.845 -1.965 1.026 1.00 0.00 O ATOM 1181 CB ALA A 78 14.183 0.691 -0.677 1.00 0.00 C ATOM 0 H ALA A 78 12.608 -0.496 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 78 15.306 -1.016 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.853 0.933 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.466 1.271 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.159 0.935 -0.396 1.00 0.00 H new ATOM 1187 N HIS A 79 12.679 -1.955 0.407 1.00 0.00 N ATOM 1188 CA HIS A 79 12.229 -2.751 1.546 1.00 0.00 C ATOM 1189 C HIS A 79 12.889 -4.125 1.543 1.00 0.00 C ATOM 1190 O HIS A 79 13.415 -4.573 2.562 1.00 0.00 O ATOM 1191 CB HIS A 79 10.701 -2.897 1.528 1.00 0.00 C ATOM 1192 CG HIS A 79 10.139 -3.456 2.799 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.224 -2.767 3.985 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.495 -4.630 3.012 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.636 -3.530 4.890 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.180 -4.668 4.345 1.00 0.00 N ATOM 0 H HIS A 79 11.935 -1.681 -0.235 1.00 0.00 H new ATOM 0 HA HIS A 79 12.522 -2.232 2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.253 -1.921 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.416 -3.544 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.273 -5.387 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.536 -3.271 5.934 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.691 -5.420 4.831 1.00 0.00 H new ATOM 1204 N GLN A 80 12.863 -4.789 0.390 1.00 0.00 N ATOM 1205 CA GLN A 80 13.468 -6.110 0.253 1.00 0.00 C ATOM 1206 C GLN A 80 14.966 -6.002 -0.014 1.00 0.00 C ATOM 1207 O GLN A 80 15.650 -7.012 -0.178 1.00 0.00 O ATOM 1208 CB GLN A 80 12.794 -6.885 -0.881 1.00 0.00 C ATOM 1209 CG GLN A 80 11.403 -7.387 -0.533 1.00 0.00 C ATOM 1210 CD GLN A 80 11.016 -8.625 -1.318 1.00 0.00 C ATOM 1211 OE1 GLN A 80 10.569 -9.621 -0.748 1.00 0.00 O ATOM 1212 NE2 GLN A 80 11.188 -8.569 -2.633 1.00 0.00 N ATOM 0 H GLN A 80 12.430 -4.434 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 80 13.323 -6.646 1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.730 -6.244 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.421 -7.735 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.357 -7.608 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.677 -6.597 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.562 -7.723 -3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.947 -9.372 -3.214 1.00 0.00 H new ATOM 1221 N ALA A 81 15.468 -4.771 -0.063 1.00 0.00 N ATOM 1222 CA ALA A 81 16.882 -4.532 -0.324 1.00 0.00 C ATOM 1223 C ALA A 81 17.724 -4.747 0.931 1.00 0.00 C ATOM 1224 O ALA A 81 18.497 -5.700 1.015 1.00 0.00 O ATOM 1225 CB ALA A 81 17.090 -3.126 -0.865 1.00 0.00 C ATOM 0 H ALA A 81 14.916 -3.925 0.075 1.00 0.00 H new ATOM 0 HA ALA A 81 17.209 -5.252 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 81 18.151 -2.962 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.532 -3.007 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.736 -2.399 -0.134 1.00 0.00 H new ATOM 1231 N LYS A 82 17.574 -3.849 1.901 1.00 0.00 N ATOM 1232 CA LYS A 82 18.332 -3.934 3.144 1.00 0.00 C ATOM 1233 C LYS A 82 17.819 -5.067 4.028 1.00 0.00 C ATOM 1234 O LYS A 82 18.382 -5.342 5.087 1.00 0.00 O ATOM 1235 CB LYS A 82 18.257 -2.605 3.902 1.00 0.00 C ATOM 1236 CG LYS A 82 16.898 -2.332 4.526 1.00 0.00 C ATOM 1237 CD LYS A 82 16.156 -1.231 3.788 1.00 0.00 C ATOM 1238 CE LYS A 82 16.677 0.145 4.171 1.00 0.00 C ATOM 1239 NZ LYS A 82 16.089 1.219 3.324 1.00 0.00 N ATOM 0 H LYS A 82 16.935 -3.055 1.850 1.00 0.00 H new ATOM 0 HA LYS A 82 19.371 -4.144 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.014 -2.601 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.502 -1.793 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.302 -3.244 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.027 -2.048 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.263 -1.376 2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.091 -1.294 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.446 0.342 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.763 0.161 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.836 1.882 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.656 0.796 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.363 1.730 3.866 1.00 0.00 H new ATOM 1253 N GLU A 83 16.748 -5.719 3.588 1.00 0.00 N ATOM 1254 CA GLU A 83 16.161 -6.819 4.344 1.00 0.00 C ATOM 1255 C GLU A 83 16.760 -8.156 3.920 1.00 0.00 C ATOM 1256 O GLU A 83 17.236 -8.926 4.754 1.00 0.00 O ATOM 1257 CB GLU A 83 14.644 -6.845 4.153 1.00 0.00 C ATOM 1258 CG GLU A 83 13.892 -7.441 5.332 1.00 0.00 C ATOM 1259 CD GLU A 83 12.396 -7.505 5.096 1.00 0.00 C ATOM 1260 OE1 GLU A 83 11.704 -6.511 5.401 1.00 0.00 O ATOM 1261 OE2 GLU A 83 11.917 -8.550 4.606 1.00 0.00 O ATOM 0 H GLU A 83 16.269 -5.505 2.713 1.00 0.00 H new ATOM 0 HA GLU A 83 16.386 -6.660 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.290 -5.828 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.409 -7.418 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.268 -8.445 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.091 -6.846 6.223 1.00 0.00 H new ATOM 1268 N ALA A 84 16.732 -8.425 2.618 1.00 0.00 N ATOM 1269 CA ALA A 84 17.265 -9.672 2.082 1.00 0.00 C ATOM 1270 C ALA A 84 18.787 -9.631 1.997 1.00 0.00 C ATOM 1271 O ALA A 84 19.430 -10.642 1.713 1.00 0.00 O ATOM 1272 CB ALA A 84 16.665 -9.957 0.713 1.00 0.00 C ATOM 0 H ALA A 84 16.346 -7.795 1.915 1.00 0.00 H new ATOM 0 HA ALA A 84 16.989 -10.477 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 84 17.072 -10.891 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.582 -10.042 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 84 16.911 -9.143 0.031 1.00 0.00 H new ATOM 1278 N ALA A 85 19.358 -8.456 2.243 1.00 0.00 N ATOM 1279 CA ALA A 85 20.806 -8.284 2.191 1.00 0.00 C ATOM 1280 C ALA A 85 21.478 -8.909 3.408 1.00 0.00 C ATOM 1281 O ALA A 85 22.324 -9.793 3.277 1.00 0.00 O ATOM 1282 CB ALA A 85 21.159 -6.808 2.092 1.00 0.00 C ATOM 0 H ALA A 85 18.841 -7.609 2.480 1.00 0.00 H new ATOM 0 HA ALA A 85 21.175 -8.796 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.242 -6.695 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.718 -6.388 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 85 20.770 -6.282 2.963 1.00 0.00 H new ATOM 1288 N GLN A 86 21.095 -8.444 4.593 1.00 0.00 N ATOM 1289 CA GLN A 86 21.663 -8.954 5.835 1.00 0.00 C ATOM 1290 C GLN A 86 20.911 -10.191 6.313 1.00 0.00 C ATOM 1291 O GLN A 86 21.432 -11.306 6.260 1.00 0.00 O ATOM 1292 CB GLN A 86 21.630 -7.873 6.916 1.00 0.00 C ATOM 1293 CG GLN A 86 22.449 -6.640 6.567 1.00 0.00 C ATOM 1294 CD GLN A 86 22.447 -5.605 7.675 1.00 0.00 C ATOM 1295 OE1 GLN A 86 21.516 -4.808 7.793 1.00 0.00 O ATOM 1296 NE2 GLN A 86 23.492 -5.613 8.494 1.00 0.00 N ATOM 0 H GLN A 86 20.393 -7.715 4.719 1.00 0.00 H new ATOM 0 HA GLN A 86 22.698 -9.235 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 86 20.596 -7.575 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.002 -8.294 7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 86 23.476 -6.938 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.053 -6.192 5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 86 24.241 -6.292 8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 86 23.546 -4.940 9.259 1.00 0.00 H new ATOM 1305 N LYS A 87 19.684 -9.988 6.786 1.00 0.00 N ATOM 1306 CA LYS A 87 18.861 -11.089 7.277 1.00 0.00 C ATOM 1307 C LYS A 87 18.248 -11.868 6.119 1.00 0.00 C ATOM 1308 O LYS A 87 17.170 -11.531 5.631 1.00 0.00 O ATOM 1309 CB LYS A 87 17.755 -10.559 8.193 1.00 0.00 C ATOM 1310 CG LYS A 87 18.269 -9.692 9.330 1.00 0.00 C ATOM 1311 CD LYS A 87 18.223 -10.428 10.659 1.00 0.00 C ATOM 1312 CE LYS A 87 19.412 -10.072 11.536 1.00 0.00 C ATOM 1313 NZ LYS A 87 19.055 -9.072 12.579 1.00 0.00 N ATOM 0 H LYS A 87 19.238 -9.072 6.840 1.00 0.00 H new ATOM 0 HA LYS A 87 19.502 -11.763 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 87 17.048 -9.981 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.205 -11.403 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 87 19.293 -9.384 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.670 -8.784 9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.298 -10.181 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.211 -11.503 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.793 -10.974 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 87 20.216 -9.677 10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.894 -8.857 13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.715 -8.201 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.306 -9.458 13.189 1.00 0.00 H new ATOM 1327 N ALA A 88 18.943 -12.916 5.686 1.00 0.00 N ATOM 1328 CA ALA A 88 18.470 -13.746 4.585 1.00 0.00 C ATOM 1329 C ALA A 88 17.432 -14.757 5.063 1.00 0.00 C ATOM 1330 O ALA A 88 16.914 -15.548 4.277 1.00 0.00 O ATOM 1331 CB ALA A 88 19.639 -14.461 3.924 1.00 0.00 C ATOM 0 H ALA A 88 19.836 -13.210 6.082 1.00 0.00 H new ATOM 0 HA ALA A 88 17.993 -13.095 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 88 19.272 -15.077 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 88 20.344 -13.725 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 88 20.140 -15.094 4.657 1.00 0.00 H new ATOM 1337 N VAL A 89 17.136 -14.725 6.360 1.00 0.00 N ATOM 1338 CA VAL A 89 16.161 -15.637 6.944 1.00 0.00 C ATOM 1339 C VAL A 89 14.781 -14.990 7.015 1.00 0.00 C ATOM 1340 O VAL A 89 14.023 -15.219 7.958 1.00 0.00 O ATOM 1341 CB VAL A 89 16.578 -16.091 8.358 1.00 0.00 C ATOM 1342 CG1 VAL A 89 17.179 -17.487 8.313 1.00 0.00 C ATOM 1343 CG2 VAL A 89 17.552 -15.104 8.984 1.00 0.00 C ATOM 0 H VAL A 89 17.558 -14.077 7.025 1.00 0.00 H new ATOM 0 HA VAL A 89 16.121 -16.511 6.294 1.00 0.00 H new ATOM 0 HB VAL A 89 15.685 -16.120 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.468 -17.791 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.443 -18.188 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.058 -17.484 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.829 -15.449 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 89 18.445 -15.031 8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.080 -14.124 9.057 1.00 0.00 H new ATOM 1353 N ASN A 90 14.461 -14.182 6.009 1.00 0.00 N ATOM 1354 CA ASN A 90 13.173 -13.501 5.954 1.00 0.00 C ATOM 1355 C ASN A 90 12.075 -14.449 5.483 1.00 0.00 C ATOM 1356 O ASN A 90 10.894 -14.229 5.751 1.00 0.00 O ATOM 1357 CB ASN A 90 13.252 -12.291 5.020 1.00 0.00 C ATOM 1358 CG ASN A 90 13.500 -12.687 3.578 1.00 0.00 C ATOM 1359 OD1 ASN A 90 12.570 -13.011 2.841 1.00 0.00 O ATOM 1360 ND2 ASN A 90 14.764 -12.661 3.166 1.00 0.00 N ATOM 0 H ASN A 90 15.077 -13.983 5.221 1.00 0.00 H new ATOM 0 HA ASN A 90 12.927 -13.161 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 90 12.322 -11.726 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 90 14.051 -11.629 5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.993 -12.916 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 90 15.505 -12.386 3.811 1.00 0.00 H new ATOM 1367 N SER A 91 12.475 -15.504 4.779 1.00 0.00 N ATOM 1368 CA SER A 91 11.528 -16.486 4.263 1.00 0.00 C ATOM 1369 C SER A 91 11.221 -17.555 5.308 1.00 0.00 C ATOM 1370 O SER A 91 10.205 -17.484 6.000 1.00 0.00 O ATOM 1371 CB SER A 91 12.084 -17.138 2.996 1.00 0.00 C ATOM 1372 OG SER A 91 13.500 -17.140 3.002 1.00 0.00 O ATOM 0 H SER A 91 13.450 -15.700 4.553 1.00 0.00 H new ATOM 0 HA SER A 91 10.600 -15.967 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.716 -18.161 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.722 -16.602 2.119 1.00 0.00 H new ATOM 0 HG SER A 91 13.830 -17.564 2.182 1.00 0.00 H new ATOM 1378 N ALA A 92 12.100 -18.547 5.413 1.00 0.00 N ATOM 1379 CA ALA A 92 11.920 -19.632 6.369 1.00 0.00 C ATOM 1380 C ALA A 92 12.384 -19.219 7.761 1.00 0.00 C ATOM 1381 O ALA A 92 13.066 -18.207 7.925 1.00 0.00 O ATOM 1382 CB ALA A 92 12.667 -20.873 5.907 1.00 0.00 C ATOM 0 H ALA A 92 12.945 -18.621 4.846 1.00 0.00 H new ATOM 0 HA ALA A 92 10.856 -19.863 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.523 -21.675 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.284 -21.188 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.730 -20.647 5.822 1.00 0.00 H new ATOM 1388 N THR A 93 12.011 -20.012 8.761 1.00 0.00 N ATOM 1389 CA THR A 93 12.388 -19.732 10.141 1.00 0.00 C ATOM 1390 C THR A 93 13.668 -20.471 10.515 1.00 0.00 C ATOM 1391 O THR A 93 14.069 -21.419 9.838 1.00 0.00 O ATOM 1392 CB THR A 93 11.258 -20.136 11.091 1.00 0.00 C ATOM 1393 OG1 THR A 93 10.236 -20.822 10.389 1.00 0.00 O ATOM 1394 CG2 THR A 93 10.622 -18.960 11.799 1.00 0.00 C ATOM 0 H THR A 93 11.448 -20.854 8.641 1.00 0.00 H new ATOM 0 HA THR A 93 12.567 -18.661 10.233 1.00 0.00 H new ATOM 0 HB THR A 93 11.723 -20.779 11.838 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.523 -21.074 11.013 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.829 -19.317 12.457 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.376 -18.439 12.389 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.202 -18.276 11.062 1.00 0.00 H new ATOM 1402 N GLY A 94 14.304 -20.033 11.596 1.00 0.00 N ATOM 1403 CA GLY A 94 15.533 -20.665 12.042 1.00 0.00 C ATOM 1404 C GLY A 94 15.278 -21.855 12.946 1.00 0.00 C ATOM 1405 O GLY A 94 15.770 -21.903 14.074 1.00 0.00 O ATOM 0 H GLY A 94 13.991 -19.252 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 94 16.107 -20.989 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 94 16.142 -19.933 12.573 1.00 0.00 H new ATOM 1409 N VAL A 95 14.505 -22.816 12.451 1.00 0.00 N ATOM 1410 CA VAL A 95 14.184 -24.012 13.222 1.00 0.00 C ATOM 1411 C VAL A 95 15.275 -25.094 13.118 1.00 0.00 C ATOM 1412 O VAL A 95 15.474 -25.851 14.068 1.00 0.00 O ATOM 1413 CB VAL A 95 12.816 -24.606 12.815 1.00 0.00 C ATOM 1414 CG1 VAL A 95 12.878 -25.255 11.441 1.00 0.00 C ATOM 1415 CG2 VAL A 95 12.339 -25.603 13.860 1.00 0.00 C ATOM 0 H VAL A 95 14.089 -22.790 11.520 1.00 0.00 H new ATOM 0 HA VAL A 95 14.131 -23.689 14.262 1.00 0.00 H new ATOM 0 HB VAL A 95 12.098 -23.788 12.760 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.899 -25.662 11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 95 13.165 -24.510 10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 95 13.614 -26.059 11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.375 -26.012 13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 95 13.064 -26.412 13.949 1.00 0.00 H new ATOM 0 HG23 VAL A 95 12.236 -25.101 14.822 1.00 0.00 H new ATOM 1425 N PRO A 96 16.016 -25.193 11.985 1.00 0.00 N ATOM 1426 CA PRO A 96 17.071 -26.200 11.838 1.00 0.00 C ATOM 1427 C PRO A 96 18.358 -25.801 12.554 1.00 0.00 C ATOM 1428 O PRO A 96 18.892 -24.714 12.328 1.00 0.00 O ATOM 1429 CB PRO A 96 17.295 -26.252 10.329 1.00 0.00 C ATOM 1430 CG PRO A 96 16.985 -24.872 9.863 1.00 0.00 C ATOM 1431 CD PRO A 96 15.896 -24.358 10.768 1.00 0.00 C ATOM 0 HA PRO A 96 16.788 -27.157 12.277 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.321 -26.532 10.089 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.644 -26.987 9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.868 -24.235 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 96 16.658 -24.876 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.032 -23.301 10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.913 -24.462 10.308 1.00 0.00 H new ATOM 1439 N THR A 97 18.851 -26.684 13.416 1.00 0.00 N ATOM 1440 CA THR A 97 20.076 -26.420 14.163 1.00 0.00 C ATOM 1441 C THR A 97 21.239 -27.238 13.611 1.00 0.00 C ATOM 1442 O THR A 97 22.103 -26.710 12.911 1.00 0.00 O ATOM 1443 CB THR A 97 19.872 -26.734 15.647 1.00 0.00 C ATOM 1444 OG1 THR A 97 19.178 -27.959 15.810 1.00 0.00 O ATOM 1445 CG2 THR A 97 19.096 -25.664 16.384 1.00 0.00 C ATOM 0 H THR A 97 18.422 -27.588 13.615 1.00 0.00 H new ATOM 0 HA THR A 97 20.317 -25.363 14.053 1.00 0.00 H new ATOM 0 HB THR A 97 20.875 -26.789 16.071 1.00 0.00 H new ATOM 0 HG1 THR A 97 19.059 -28.143 16.765 1.00 0.00 H new ATOM 0 HG21 THR A 97 18.987 -25.949 17.430 1.00 0.00 H new ATOM 0 HG22 THR A 97 19.631 -24.717 16.320 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.110 -25.554 15.933 1.00 0.00 H new ATOM 1453 N VAL A 98 21.255 -28.528 13.931 1.00 0.00 N ATOM 1454 CA VAL A 98 22.314 -29.419 13.467 1.00 0.00 C ATOM 1455 C VAL A 98 21.738 -30.733 12.950 1.00 0.00 C ATOM 1456 O VAL A 98 22.344 -31.321 12.028 1.00 0.00 O ATOM 1457 CB VAL A 98 23.327 -29.719 14.587 1.00 0.00 C ATOM 1458 CG1 VAL A 98 24.200 -28.503 14.858 1.00 0.00 C ATOM 1459 CG2 VAL A 98 22.609 -30.165 15.852 1.00 0.00 C ATOM 1460 OXT VAL A 98 20.658 -31.134 13.430 1.00 0.00 O ATOM 0 H VAL A 98 20.547 -28.980 14.510 1.00 0.00 H new ATOM 0 HA VAL A 98 22.827 -28.905 12.654 1.00 0.00 H new ATOM 0 HB VAL A 98 23.973 -30.533 14.259 1.00 0.00 H new ATOM 0 HG11 VAL A 98 24.910 -28.734 15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 98 24.744 -28.236 13.952 1.00 0.00 H new ATOM 0 HG13 VAL A 98 23.573 -27.666 15.164 1.00 0.00 H new ATOM 0 HG21 VAL A 98 23.341 -30.372 16.632 1.00 0.00 H new ATOM 0 HG22 VAL A 98 21.937 -29.375 16.186 1.00 0.00 H new ATOM 0 HG23 VAL A 98 22.034 -31.068 15.645 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 12.416 -1.932 10.622 1.00 0.00 N ATOM 1472 CA VAL B 1 11.983 -0.513 10.528 1.00 0.00 C ATOM 1473 C VAL B 1 12.616 0.175 9.323 1.00 0.00 C ATOM 1474 O VAL B 1 13.571 0.941 9.463 1.00 0.00 O ATOM 1475 CB VAL B 1 12.348 0.272 11.805 1.00 0.00 C ATOM 1476 CG1 VAL B 1 11.460 1.500 11.950 1.00 0.00 C ATOM 1477 CG2 VAL B 1 12.239 -0.621 13.034 1.00 0.00 C ATOM 0 H1 VAL B 1 11.762 -2.454 11.239 1.00 0.00 H new ATOM 0 H2 VAL B 1 12.413 -2.359 9.674 1.00 0.00 H new ATOM 0 H3 VAL B 1 13.376 -1.976 11.019 1.00 0.00 H new ATOM 0 HA VAL B 1 10.899 -0.519 10.412 1.00 0.00 H new ATOM 0 HB VAL B 1 13.382 0.607 11.719 1.00 0.00 H new ATOM 0 HG11 VAL B 1 11.732 2.041 12.856 1.00 0.00 H new ATOM 0 HG12 VAL B 1 11.594 2.150 11.085 1.00 0.00 H new ATOM 0 HG13 VAL B 1 10.417 1.189 12.012 1.00 0.00 H new ATOM 0 HG21 VAL B 1 12.500 -0.049 13.924 1.00 0.00 H new ATOM 0 HG22 VAL B 1 11.217 -0.989 13.127 1.00 0.00 H new ATOM 0 HG23 VAL B 1 12.921 -1.465 12.932 1.00 0.00 H new ATOM 1489 N VAL B 2 12.080 -0.104 8.139 1.00 0.00 N ATOM 1490 CA VAL B 2 12.590 0.491 6.909 1.00 0.00 C ATOM 1491 C VAL B 2 12.029 1.895 6.709 1.00 0.00 C ATOM 1492 O VAL B 2 10.827 2.120 6.851 1.00 0.00 O ATOM 1493 CB VAL B 2 12.246 -0.370 5.678 1.00 0.00 C ATOM 1494 CG1 VAL B 2 12.904 0.194 4.427 1.00 0.00 C ATOM 1495 CG2 VAL B 2 12.665 -1.815 5.903 1.00 0.00 C ATOM 0 H VAL B 2 11.293 -0.738 8.005 1.00 0.00 H new ATOM 0 HA VAL B 2 13.674 0.544 7.009 1.00 0.00 H new ATOM 0 HB VAL B 2 11.166 -0.346 5.533 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.649 -0.428 3.569 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.549 1.210 4.256 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.986 0.204 4.558 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.414 -2.408 5.023 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.740 -1.859 6.076 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.141 -2.215 6.771 1.00 0.00 H new ATOM 1505 N LYS B 3 12.909 2.836 6.382 1.00 0.00 N ATOM 1506 CA LYS B 3 12.505 4.220 6.166 1.00 0.00 C ATOM 1507 C LYS B 3 12.056 4.438 4.726 1.00 0.00 C ATOM 1508 O LYS B 3 12.857 4.351 3.795 1.00 0.00 O ATOM 1509 CB LYS B 3 13.661 5.167 6.499 1.00 0.00 C ATOM 1510 CG LYS B 3 14.269 4.924 7.871 1.00 0.00 C ATOM 1511 CD LYS B 3 15.051 6.134 8.354 1.00 0.00 C ATOM 1512 CE LYS B 3 16.522 6.031 7.985 1.00 0.00 C ATOM 1513 NZ LYS B 3 17.296 5.261 8.997 1.00 0.00 N ATOM 0 H LYS B 3 13.907 2.665 6.261 1.00 0.00 H new ATOM 0 HA LYS B 3 11.664 4.434 6.826 1.00 0.00 H new ATOM 0 HB2 LYS B 3 14.438 5.059 5.742 1.00 0.00 H new ATOM 0 HB3 LYS B 3 13.304 6.196 6.446 1.00 0.00 H new ATOM 0 HG2 LYS B 3 13.479 4.691 8.585 1.00 0.00 H new ATOM 0 HG3 LYS B 3 14.927 4.056 7.830 1.00 0.00 H new ATOM 0 HD2 LYS B 3 14.628 7.039 7.918 1.00 0.00 H new ATOM 0 HD3 LYS B 3 14.952 6.224 9.436 1.00 0.00 H new ATOM 0 HE2 LYS B 3 16.619 5.551 7.011 1.00 0.00 H new ATOM 0 HE3 LYS B 3 16.943 7.032 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 18.294 5.214 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 17.225 5.733 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 16.911 4.298 9.069 1.00 0.00 H new ATOM 1527 N SER B 4 10.769 4.725 4.551 1.00 0.00 N ATOM 1528 CA SER B 4 10.211 4.962 3.225 1.00 0.00 C ATOM 1529 C SER B 4 10.560 6.363 2.731 1.00 0.00 C ATOM 1530 O SER B 4 11.264 7.111 3.409 1.00 0.00 O ATOM 1531 CB SER B 4 8.691 4.781 3.254 1.00 0.00 C ATOM 1532 OG SER B 4 8.149 4.782 1.944 1.00 0.00 O ATOM 0 H SER B 4 10.094 4.799 5.312 1.00 0.00 H new ATOM 0 HA SER B 4 10.645 4.237 2.537 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.443 3.844 3.752 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.238 5.582 3.838 1.00 0.00 H new ATOM 0 HG SER B 4 7.177 4.663 1.992 1.00 0.00 H new ATOM 1538 N ASN B 5 10.061 6.712 1.549 1.00 0.00 N ATOM 1539 CA ASN B 5 10.319 8.023 0.968 1.00 0.00 C ATOM 1540 C ASN B 5 9.096 8.925 1.099 1.00 0.00 C ATOM 1541 O ASN B 5 9.203 10.074 1.529 1.00 0.00 O ATOM 1542 CB ASN B 5 10.709 7.884 -0.505 1.00 0.00 C ATOM 1543 CG ASN B 5 11.830 6.884 -0.711 1.00 0.00 C ATOM 1544 OD1 ASN B 5 11.625 5.816 -1.289 1.00 0.00 O ATOM 1545 ND2 ASN B 5 13.023 7.224 -0.236 1.00 0.00 N ATOM 0 H ASN B 5 9.476 6.104 0.976 1.00 0.00 H new ATOM 0 HA ASN B 5 11.145 8.479 1.514 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.838 7.574 -1.082 1.00 0.00 H new ATOM 0 HB3 ASN B 5 11.017 8.856 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.814 6.590 -0.344 1.00 0.00 H new ATOM 0 HD22 ASN B 5 13.148 8.119 0.236 1.00 0.00 H new ATOM 1552 N LEU B 6 7.933 8.394 0.733 1.00 0.00 N ATOM 1553 CA LEU B 6 6.689 9.149 0.821 1.00 0.00 C ATOM 1554 C LEU B 6 6.248 9.293 2.274 1.00 0.00 C ATOM 1555 O LEU B 6 6.446 10.339 2.892 1.00 0.00 O ATOM 1556 CB LEU B 6 5.588 8.463 0.008 1.00 0.00 C ATOM 1557 CG LEU B 6 5.125 9.230 -1.233 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.270 8.338 -2.121 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.356 10.480 -0.832 1.00 0.00 C ATOM 0 H LEU B 6 7.827 7.445 0.373 1.00 0.00 H new ATOM 0 HA LEU B 6 6.866 10.143 0.409 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.945 7.481 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.728 8.298 0.657 1.00 0.00 H new ATOM 0 HG LEU B 6 6.006 9.536 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.949 8.899 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.853 7.473 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.395 8.003 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.035 11.012 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.482 10.197 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.999 11.127 -0.236 1.00 0.00 H new ATOM 1571 N ASN B 7 5.660 8.231 2.816 1.00 0.00 N ATOM 1572 CA ASN B 7 5.195 8.237 4.199 1.00 0.00 C ATOM 1573 C ASN B 7 6.331 7.898 5.160 1.00 0.00 C ATOM 1574 O ASN B 7 6.963 6.850 5.035 1.00 0.00 O ATOM 1575 CB ASN B 7 4.065 7.227 4.381 1.00 0.00 C ATOM 1576 CG ASN B 7 2.965 7.747 5.286 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.168 7.621 6.592 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.946 8.253 4.816 1.00 0.00 N flip ATOM 0 H ASN B 7 5.494 7.356 2.319 1.00 0.00 H new ATOM 0 HA ASN B 7 4.831 9.239 4.424 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.643 6.978 3.407 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.469 6.305 4.798 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.834 8.329 3.805 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.214 8.597 5.438 1.00 0.00 H new ATOM 1585 N PRO B 8 6.588 8.766 6.155 1.00 0.00 N ATOM 1586 CA PRO B 8 7.638 8.529 7.143 1.00 0.00 C ATOM 1587 C PRO B 8 7.209 7.521 8.203 1.00 0.00 C ATOM 1588 O PRO B 8 7.963 7.216 9.127 1.00 0.00 O ATOM 1589 CB PRO B 8 7.848 9.908 7.764 1.00 0.00 C ATOM 1590 CG PRO B 8 6.519 10.574 7.652 1.00 0.00 C ATOM 1591 CD PRO B 8 5.882 10.040 6.393 1.00 0.00 C ATOM 0 HA PRO B 8 8.539 8.107 6.698 1.00 0.00 H new ATOM 0 HB2 PRO B 8 8.167 9.831 8.803 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.619 10.468 7.235 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.901 10.357 8.523 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.630 11.657 7.602 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.811 9.886 6.521 1.00 0.00 H new ATOM 0 HD3 PRO B 8 6.007 10.729 5.558 1.00 0.00 H new ATOM 1599 N ASN B 9 5.986 7.016 8.067 1.00 0.00 N ATOM 1600 CA ASN B 9 5.451 6.037 9.005 1.00 0.00 C ATOM 1601 C ASN B 9 5.019 4.768 8.276 1.00 0.00 C ATOM 1602 O ASN B 9 3.895 4.297 8.441 1.00 0.00 O ATOM 1603 CB ASN B 9 4.265 6.629 9.770 1.00 0.00 C ATOM 1604 CG ASN B 9 4.592 7.969 10.400 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.496 8.074 11.229 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.856 9.003 10.008 1.00 0.00 N ATOM 0 H ASN B 9 5.346 7.270 7.314 1.00 0.00 H new ATOM 0 HA ASN B 9 6.238 5.779 9.713 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.421 6.747 9.091 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.954 5.932 10.548 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.030 9.930 10.397 1.00 0.00 H new ATOM 0 HD22 ASN B 9 3.117 8.870 9.318 1.00 0.00 H new ATOM 1613 N ALA B 10 5.906 4.246 7.437 1.00 0.00 N ATOM 1614 CA ALA B 10 5.621 3.036 6.671 1.00 0.00 C ATOM 1615 C ALA B 10 5.342 1.843 7.587 1.00 0.00 C ATOM 1616 O ALA B 10 6.268 1.182 8.059 1.00 0.00 O ATOM 1617 CB ALA B 10 6.777 2.726 5.732 1.00 0.00 C ATOM 0 H ALA B 10 6.831 4.642 7.269 1.00 0.00 H new ATOM 0 HA ALA B 10 4.722 3.216 6.082 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.553 1.822 5.166 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.920 3.559 5.044 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.687 2.575 6.313 1.00 0.00 H new ATOM 1623 N LYS B 11 4.061 1.560 7.817 1.00 0.00 N ATOM 1624 CA LYS B 11 3.660 0.427 8.649 1.00 0.00 C ATOM 1625 C LYS B 11 2.862 -0.581 7.829 1.00 0.00 C ATOM 1626 O LYS B 11 2.439 -0.285 6.715 1.00 0.00 O ATOM 1627 CB LYS B 11 2.825 0.897 9.843 1.00 0.00 C ATOM 1628 CG LYS B 11 3.214 2.268 10.366 1.00 0.00 C ATOM 1629 CD LYS B 11 3.498 2.240 11.859 1.00 0.00 C ATOM 1630 CE LYS B 11 2.768 3.356 12.589 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.368 4.690 12.310 1.00 0.00 N ATOM 0 H LYS B 11 3.283 2.100 7.439 1.00 0.00 H new ATOM 0 HA LYS B 11 4.565 -0.053 9.022 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.774 0.914 9.554 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.922 0.171 10.650 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.097 2.623 9.834 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.412 2.977 10.161 1.00 0.00 H new ATOM 0 HD2 LYS B 11 3.195 1.277 12.270 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.571 2.335 12.028 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.720 3.360 12.290 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.793 3.164 13.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.523 5.195 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.277 4.566 11.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.723 5.242 11.709 1.00 0.00 H new ATOM 1645 N GLU B 12 2.650 -1.770 8.385 1.00 0.00 N ATOM 1646 CA GLU B 12 1.893 -2.808 7.692 1.00 0.00 C ATOM 1647 C GLU B 12 0.427 -2.405 7.544 1.00 0.00 C ATOM 1648 O GLU B 12 -0.026 -1.444 8.165 1.00 0.00 O ATOM 1649 CB GLU B 12 1.998 -4.137 8.444 1.00 0.00 C ATOM 1650 CG GLU B 12 2.174 -5.340 7.530 1.00 0.00 C ATOM 1651 CD GLU B 12 2.896 -6.487 8.210 1.00 0.00 C ATOM 1652 OE1 GLU B 12 2.484 -6.874 9.323 1.00 0.00 O ATOM 1653 OE2 GLU B 12 3.876 -6.999 7.627 1.00 0.00 O ATOM 0 H GLU B 12 2.990 -2.038 9.309 1.00 0.00 H new ATOM 0 HA GLU B 12 2.320 -2.930 6.696 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.840 -4.089 9.134 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.100 -4.277 9.046 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.196 -5.681 7.191 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.731 -5.039 6.643 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.310 -3.146 6.718 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.723 -2.857 6.485 1.00 0.00 C ATOM 1662 C PHE B 13 -2.601 -3.580 7.504 1.00 0.00 C ATOM 1663 O PHE B 13 -2.631 -4.810 7.552 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.125 -3.269 5.060 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.423 -2.667 4.568 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.254 -1.946 5.417 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -3.816 -2.834 3.246 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.440 -1.406 4.959 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.003 -2.295 2.785 1.00 0.00 C ATOM 1670 CZ PHE B 13 -5.815 -1.583 3.643 1.00 0.00 C ATOM 0 H PHE B 13 0.047 -3.949 6.200 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.872 -1.783 6.600 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.326 -2.984 4.375 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.206 -4.355 5.020 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.969 -1.806 6.449 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.186 -3.392 2.569 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.073 -0.846 5.631 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.294 -2.431 1.754 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.744 -1.164 3.285 1.00 0.00 H new ATOM 1680 N VAL B 14 -3.319 -2.802 8.308 1.00 0.00 N ATOM 1681 CA VAL B 14 -4.218 -3.357 9.313 1.00 0.00 C ATOM 1682 C VAL B 14 -5.668 -2.992 8.996 1.00 0.00 C ATOM 1683 O VAL B 14 -6.197 -2.007 9.512 1.00 0.00 O ATOM 1684 CB VAL B 14 -3.864 -2.855 10.727 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -4.614 -3.654 11.782 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -2.362 -2.928 10.960 1.00 0.00 C ATOM 0 H VAL B 14 -3.295 -1.783 8.283 1.00 0.00 H new ATOM 0 HA VAL B 14 -4.100 -4.440 9.289 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.171 -1.812 10.809 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -4.351 -3.285 12.773 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -5.687 -3.544 11.627 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -4.342 -4.707 11.703 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.132 -2.570 11.963 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -2.028 -3.960 10.858 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -1.849 -2.306 10.226 1.00 0.00 H new ATOM 1696 N PRO B 15 -6.322 -3.772 8.114 1.00 0.00 N ATOM 1697 CA PRO B 15 -7.709 -3.517 7.700 1.00 0.00 C ATOM 1698 C PRO B 15 -8.679 -3.438 8.876 1.00 0.00 C ATOM 1699 O PRO B 15 -8.288 -3.592 10.033 1.00 0.00 O ATOM 1700 CB PRO B 15 -8.046 -4.721 6.814 1.00 0.00 C ATOM 1701 CG PRO B 15 -6.729 -5.212 6.324 1.00 0.00 C ATOM 1702 CD PRO B 15 -5.757 -4.956 7.439 1.00 0.00 C ATOM 0 HA PRO B 15 -7.803 -2.554 7.197 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -8.571 -5.492 7.377 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -8.694 -4.434 5.986 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -6.773 -6.273 6.080 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -6.430 -4.688 5.416 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -5.685 -5.809 8.114 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -4.753 -4.763 7.061 1.00 0.00 H new ATOM 1710 N GLY B 16 -9.953 -3.222 8.561 1.00 0.00 N ATOM 1711 CA GLY B 16 -10.973 -3.120 9.588 1.00 0.00 C ATOM 1712 C GLY B 16 -11.084 -1.722 10.160 1.00 0.00 C ATOM 1713 O GLY B 16 -12.184 -1.203 10.342 1.00 0.00 O ATOM 0 H GLY B 16 -10.298 -3.115 7.607 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.935 -3.415 9.170 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.746 -3.821 10.392 1.00 0.00 H new ATOM 1717 N VAL B 17 -9.941 -1.117 10.460 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.913 0.228 11.020 1.00 0.00 C ATOM 1719 C VAL B 17 -9.218 1.204 10.077 1.00 0.00 C ATOM 1720 O VAL B 17 -8.216 0.865 9.448 1.00 0.00 O ATOM 1721 CB VAL B 17 -9.206 0.243 12.384 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -9.752 1.360 13.260 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -9.361 -1.106 13.066 1.00 0.00 C ATOM 0 H VAL B 17 -9.021 -1.537 10.325 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.948 0.543 11.153 1.00 0.00 H new ATOM 0 HB VAL B 17 -8.144 0.431 12.226 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -9.238 1.353 14.221 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.590 2.320 12.769 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.820 1.209 13.419 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -8.857 -1.085 14.032 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.420 -1.319 13.214 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -8.918 -1.882 12.442 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.755 2.418 9.986 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.181 3.444 9.121 1.00 0.00 C ATOM 1735 C LYS B 18 -7.751 3.767 9.538 1.00 0.00 C ATOM 1736 O LYS B 18 -7.522 4.377 10.583 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.035 4.715 9.159 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.531 4.447 9.195 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.325 5.737 9.320 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.472 5.593 10.306 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.625 6.802 11.162 1.00 0.00 N ATOM 0 H LYS B 18 -10.585 2.715 10.500 1.00 0.00 H new ATOM 0 HA LYS B 18 -9.167 3.057 8.102 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.759 5.301 10.036 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.805 5.323 8.284 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.829 3.921 8.288 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.764 3.792 10.034 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.665 6.542 9.644 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.717 6.020 8.343 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.399 5.415 9.761 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.301 4.721 10.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.418 6.663 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.750 6.958 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.814 7.630 10.562 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.793 3.350 8.718 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.383 3.589 9.003 1.00 0.00 C ATOM 1757 C TYR B 19 -4.984 5.012 8.626 1.00 0.00 C ATOM 1758 O TYR B 19 -4.857 5.340 7.446 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.513 2.584 8.245 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.437 1.943 9.094 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.757 1.277 10.272 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.102 1.996 8.714 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.776 0.690 11.048 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.116 1.410 9.483 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.458 0.758 10.649 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.478 0.173 11.419 1.00 0.00 O ATOM 0 H TYR B 19 -6.967 2.844 7.850 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.227 3.461 10.074 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.152 1.802 7.834 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.044 3.089 7.401 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.789 1.218 10.585 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.830 2.505 7.801 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -3.040 0.180 11.963 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.083 1.462 9.173 1.00 0.00 H new ATOM 0 HH TYR B 19 0.259 -0.120 10.843 1.00 0.00 H new ATOM 1776 N GLY B 20 -4.788 5.854 9.637 1.00 0.00 N ATOM 1777 CA GLY B 20 -4.401 7.232 9.394 1.00 0.00 C ATOM 1778 C GLY B 20 -5.553 8.076 8.884 1.00 0.00 C ATOM 1779 O GLY B 20 -5.671 8.316 7.682 1.00 0.00 O ATOM 0 H GLY B 20 -4.891 5.606 10.621 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.017 7.667 10.317 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.588 7.255 8.668 1.00 0.00 H new ATOM 1783 N ASN B 21 -6.401 8.532 9.800 1.00 0.00 N ATOM 1784 CA ASN B 21 -7.549 9.355 9.437 1.00 0.00 C ATOM 1785 C ASN B 21 -7.205 10.836 9.515 1.00 0.00 C ATOM 1786 O ASN B 21 -7.724 11.650 8.750 1.00 0.00 O ATOM 1787 CB ASN B 21 -8.735 9.045 10.355 1.00 0.00 C ATOM 1788 CG ASN B 21 -9.977 9.830 9.982 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -10.806 9.368 9.198 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -10.114 11.024 10.545 1.00 0.00 N ATOM 0 H ASN B 21 -6.315 8.346 10.799 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.822 9.119 8.408 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -8.956 7.979 10.311 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -8.462 9.271 11.386 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -10.931 11.597 10.333 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -9.403 11.369 11.190 1.00 0.00 H new ATOM 1797 N ILE B 22 -6.340 11.179 10.460 1.00 0.00 N ATOM 1798 CA ILE B 22 -5.917 12.562 10.651 1.00 0.00 C ATOM 1799 C ILE B 22 -4.395 12.681 10.620 1.00 0.00 C ATOM 1800 O ILE B 22 -3.722 11.805 11.205 1.00 0.00 O ATOM 1801 CB ILE B 22 -6.452 13.133 11.980 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -5.900 14.539 12.227 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -6.093 12.210 13.136 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -6.584 15.612 11.406 1.00 0.00 C ATOM 1805 OXT ILE B 22 -3.889 13.649 10.014 1.00 0.00 O ATOM 0 H ILE B 22 -5.915 10.517 11.109 1.00 0.00 H new ATOM 0 HA ILE B 22 -6.334 13.141 9.827 1.00 0.00 H new ATOM 0 HB ILE B 22 -7.538 13.200 11.912 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -6.005 14.781 13.285 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -4.833 14.546 12.002 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -6.477 12.627 14.067 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -6.535 11.228 12.968 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -5.009 12.114 13.202 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -6.141 16.582 11.633 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -6.457 15.395 10.345 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -7.647 15.633 11.648 1.00 0.00 H new TER 1817 ILE B 22