USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot -109:sc= -1.98 USER MOD Set 1.2: B 74 MET CE :methyl 142:sc= -2.88 (180deg=-7.26!) USER MOD Set 2.1: B 37 ASN :FLIP amide:sc= 0.579 F(o=-0.47,f=1) USER MOD Set 2.2: B 38 ASN :FLIP amide:sc= 0.443 F(o=-5!,f=1) USER MOD Set 3.1: A 85 HIS : no HE2:sc= 0.724 K(o=1.4,f=-2.6) USER MOD Set 3.2: B 15 HIS : no HD1:sc= 0.65 K(o=1.4,f=-4.5!) USER MOD Set 4.1: A 81 THR OG1 : rot 79:sc= 0.448 USER MOD Set 4.2: B 7 MET CE :methyl 146:sc= -0.601 (180deg=-1.14) USER MOD Set 5.1: A 74 MET CE :methyl 144:sc= -2.8 (180deg=-7.4!) USER MOD Set 5.2: B 78 SER OG : rot -100:sc= -1.94 USER MOD Set 6.1: A 37 ASN :FLIP amide:sc= 0.489 F(o=-0.46,f=1.1) USER MOD Set 6.2: A 38 ASN :FLIP amide:sc= 0.593 F(o=-4.9!,f=1.1) USER MOD Set 7.1: A 15 HIS : no HD1:sc= 0.352 K(o=0.87,f=-2.8) USER MOD Set 7.2: B 85 HIS : no HE2:sc= 0.514 K(o=0.87,f=-1.5) USER MOD Set 8.1: A 7 MET CE :methyl 146:sc= -0.662 (180deg=-1.23) USER MOD Set 8.2: B 81 THR OG1 : rot 80:sc= 0.454 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -156:sc= -0.0141 (180deg=-1.01) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -113:sc= -0.924 (180deg=-2.54!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.786 F(o=-1.6,f=-0.79) USER MOD Single : A 17 TYR OH : rot -15:sc= -0.302 USER MOD Single : A 18 SER OG : rot 121:sc= -0.335 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -105:sc= 0.838 (180deg=-0.858) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.0763 (180deg=-0.577) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.149) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.18) USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= -0.607 (180deg=-3.45!) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.49 F(o=-2.9!,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.028 (180deg=-0.535) USER MOD Single : A 57 MET CE :methyl 157:sc= -2.55 (180deg=-4.51!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 31:sc= -1.1 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 79 MET CE :methyl 161:sc= -0.169 (180deg=-1.29!) USER MOD Single : A 82 THR OG1 : rot -32:sc= 0.613 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -157:sc=-0.00636 (180deg=-0.961) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ -109:sc= -0.904 (180deg=-2.46!) USER MOD Single : B 16 GLN :FLIP amide:sc= -0.569 F(o=-1.1,f=-0.57) USER MOD Single : B 17 TYR OH : rot -15:sc= -0.294 USER MOD Single : B 18 SER OG : rot 120:sc= -0.259 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ -109:sc= 0.933 (180deg=-0.557) USER MOD Single : B 28 LYS NZ :NH3+ 160:sc= -0.0522 (180deg=-0.483) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.246) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.19) USER MOD Single : B 48 LYS NZ :NH3+ -108:sc= -0.845 (180deg=-3.2!) USER MOD Single : B 50 GLN :FLIP amide:sc= -1.64 F(o=-2.9,f=-1.6) USER MOD Single : B 55 LYS NZ :NH3+ 158:sc= -0.0816 (180deg=-0.628) USER MOD Single : B 57 MET CE :methyl 154:sc= -2.34 (180deg=-4.16!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 36:sc= -1.25 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 79 MET CE :methyl 160:sc= -0.142 (180deg=-1.28!) USER MOD Single : B 82 THR OG1 : rot -33:sc= 0.496 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : X 105 HIS :FLIP no HD1:sc= -1.86 F(o=-3.9!,f=-1.9) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 149:sc= -0.191 (180deg=-1.29!) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -110:sc= -1.61 (180deg=-2.61!) USER MOD Single : X 112 THR OG1 : rot -26:sc= 0.689 USER MOD Single : Y 105 HIS :FLIP no HD1:sc= -1.78 F(o=-3.9!,f=-1.8) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 133:sc= -0.153 (180deg=-1.23!) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ -115:sc= -1.76 (180deg=-2.69!) USER MOD Single : Y 112 THR OG1 : rot -33:sc= 0.637 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.180 -2.533 -14.544 1.00 0.00 N ATOM 2 CA MET A 0 1.339 -2.989 -15.688 1.00 0.00 C ATOM 3 C MET A 0 0.055 -2.155 -15.735 1.00 0.00 C ATOM 4 O MET A 0 -1.008 -2.615 -15.368 1.00 0.00 O ATOM 5 CB MET A 0 0.982 -4.469 -15.502 1.00 0.00 C ATOM 6 CG MET A 0 2.239 -5.329 -15.677 1.00 0.00 C ATOM 7 SD MET A 0 1.814 -7.075 -15.458 1.00 0.00 S ATOM 8 CE MET A 0 3.474 -7.751 -15.723 1.00 0.00 C ATOM 0 H1 MET A 0 3.175 -2.775 -14.727 1.00 0.00 H new ATOM 0 H2 MET A 0 2.088 -1.503 -14.435 1.00 0.00 H new ATOM 0 H3 MET A 0 1.864 -3.003 -13.672 1.00 0.00 H new ATOM 0 HA MET A 0 1.890 -2.864 -16.620 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.555 -4.629 -14.512 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.224 -4.764 -16.227 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.666 -5.170 -16.667 1.00 0.00 H new ATOM 0 HG3 MET A 0 2.997 -5.035 -14.951 1.00 0.00 H new ATOM 0 HE1 MET A 0 3.444 -8.837 -15.632 1.00 0.00 H new ATOM 0 HE2 MET A 0 3.822 -7.480 -16.720 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.156 -7.343 -14.977 1.00 0.00 H new ATOM 20 N SER A 1 0.151 -0.928 -16.180 1.00 0.00 N ATOM 21 CA SER A 1 -1.063 -0.053 -16.250 1.00 0.00 C ATOM 22 C SER A 1 -1.661 0.117 -14.850 1.00 0.00 C ATOM 23 O SER A 1 -2.844 0.341 -14.688 1.00 0.00 O ATOM 24 CB SER A 1 -2.103 -0.683 -17.178 1.00 0.00 C ATOM 25 OG SER A 1 -1.454 -1.177 -18.341 1.00 0.00 O ATOM 0 H SER A 1 1.017 -0.492 -16.498 1.00 0.00 H new ATOM 0 HA SER A 1 -0.776 0.923 -16.641 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.622 -1.493 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.857 0.055 -17.453 1.00 0.00 H new ATOM 0 HG SER A 1 -2.117 -1.583 -18.938 1.00 0.00 H new ATOM 31 N GLU A 2 -0.843 0.025 -13.843 1.00 0.00 N ATOM 32 CA GLU A 2 -1.330 0.193 -12.443 1.00 0.00 C ATOM 33 C GLU A 2 -1.572 1.676 -12.176 1.00 0.00 C ATOM 34 O GLU A 2 -2.113 2.062 -11.162 1.00 0.00 O ATOM 35 CB GLU A 2 -0.266 -0.340 -11.484 1.00 0.00 C ATOM 36 CG GLU A 2 -0.119 -1.843 -11.703 1.00 0.00 C ATOM 37 CD GLU A 2 0.943 -2.404 -10.753 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.629 -1.612 -10.129 1.00 0.00 O ATOM 39 OE2 GLU A 2 1.052 -3.616 -10.668 1.00 0.00 O ATOM 0 H GLU A 2 0.156 -0.162 -13.928 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.260 -0.356 -12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.686 0.162 -11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.550 -0.134 -10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.074 -2.340 -11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.162 -2.043 -12.737 1.00 0.00 H new ATOM 46 N LEU A 3 -1.144 2.505 -13.075 1.00 0.00 N ATOM 47 CA LEU A 3 -1.300 3.970 -12.890 1.00 0.00 C ATOM 48 C LEU A 3 -2.720 4.306 -12.421 1.00 0.00 C ATOM 49 O LEU A 3 -2.963 5.361 -11.878 1.00 0.00 O ATOM 50 CB LEU A 3 -1.006 4.661 -14.231 1.00 0.00 C ATOM 51 CG LEU A 3 -1.054 6.187 -14.083 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.085 6.667 -13.167 1.00 0.00 C ATOM 53 CD2 LEU A 3 -0.900 6.825 -15.468 1.00 0.00 C ATOM 0 H LEU A 3 -0.686 2.229 -13.943 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.605 4.321 -12.127 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.024 4.358 -14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.734 4.341 -14.977 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.007 6.478 -13.641 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.041 7.752 -13.069 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.022 6.210 -12.183 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.044 6.380 -13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.933 7.910 -15.374 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.054 6.527 -15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.712 6.492 -16.114 1.00 0.00 H new ATOM 65 N GLU A 4 -3.661 3.432 -12.616 1.00 0.00 N ATOM 66 CA GLU A 4 -5.051 3.746 -12.163 1.00 0.00 C ATOM 67 C GLU A 4 -5.123 3.739 -10.636 1.00 0.00 C ATOM 68 O GLU A 4 -5.791 4.557 -10.033 1.00 0.00 O ATOM 69 CB GLU A 4 -6.023 2.702 -12.719 1.00 0.00 C ATOM 70 CG GLU A 4 -6.165 2.880 -14.232 1.00 0.00 C ATOM 71 CD GLU A 4 -7.002 1.732 -14.803 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.420 0.886 -14.029 1.00 0.00 O ATOM 73 OE2 GLU A 4 -7.207 1.715 -16.006 1.00 0.00 O ATOM 0 H GLU A 4 -3.537 2.523 -13.063 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.324 4.735 -12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.661 1.699 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.996 2.805 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.639 3.836 -14.454 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.181 2.896 -14.701 1.00 0.00 H new ATOM 80 N LYS A 5 -4.458 2.815 -10.002 1.00 0.00 N ATOM 81 CA LYS A 5 -4.510 2.752 -8.513 1.00 0.00 C ATOM 82 C LYS A 5 -3.550 3.779 -7.911 1.00 0.00 C ATOM 83 O LYS A 5 -3.788 4.311 -6.849 1.00 0.00 O ATOM 84 CB LYS A 5 -4.144 1.330 -8.051 1.00 0.00 C ATOM 85 CG LYS A 5 -2.618 1.148 -8.016 1.00 0.00 C ATOM 86 CD LYS A 5 -2.265 -0.344 -7.925 1.00 0.00 C ATOM 87 CE LYS A 5 -2.730 -1.089 -9.193 1.00 0.00 C ATOM 88 NZ LYS A 5 -4.060 -1.709 -8.934 1.00 0.00 N ATOM 0 H LYS A 5 -3.881 2.101 -10.448 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.518 2.987 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.560 1.145 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.588 0.597 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.172 1.581 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.200 1.681 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.188 -0.462 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.737 -0.782 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.795 -0.397 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.005 -1.855 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.967 -2.745 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.414 -1.397 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.729 -1.419 -9.676 1.00 0.00 H new ATOM 102 N ALA A 6 -2.456 4.041 -8.569 1.00 0.00 N ATOM 103 CA ALA A 6 -1.478 5.015 -8.013 1.00 0.00 C ATOM 104 C ALA A 6 -2.037 6.433 -8.060 1.00 0.00 C ATOM 105 O ALA A 6 -1.848 7.202 -7.146 1.00 0.00 O ATOM 106 CB ALA A 6 -0.169 4.947 -8.804 1.00 0.00 C ATOM 0 H ALA A 6 -2.198 3.625 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.287 4.754 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.543 5.662 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.246 3.941 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.362 5.189 -9.849 1.00 0.00 H new ATOM 112 N MET A 7 -2.715 6.795 -9.106 1.00 0.00 N ATOM 113 CA MET A 7 -3.272 8.174 -9.174 1.00 0.00 C ATOM 114 C MET A 7 -4.378 8.343 -8.143 1.00 0.00 C ATOM 115 O MET A 7 -4.502 9.375 -7.514 1.00 0.00 O ATOM 116 CB MET A 7 -3.854 8.448 -10.563 1.00 0.00 C ATOM 117 CG MET A 7 -2.735 8.578 -11.591 1.00 0.00 C ATOM 118 SD MET A 7 -3.463 8.992 -13.199 1.00 0.00 S ATOM 119 CE MET A 7 -2.074 9.946 -13.861 1.00 0.00 C ATOM 0 H MET A 7 -2.909 6.203 -9.914 1.00 0.00 H new ATOM 0 HA MET A 7 -2.463 8.876 -8.971 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.527 7.639 -10.849 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.446 9.363 -10.542 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.030 9.351 -11.286 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.175 7.645 -11.659 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.008 9.792 -14.938 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.229 11.005 -13.654 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.148 9.616 -13.390 1.00 0.00 H new ATOM 129 N VAL A 8 -5.191 7.350 -7.975 1.00 0.00 N ATOM 130 CA VAL A 8 -6.300 7.478 -6.990 1.00 0.00 C ATOM 131 C VAL A 8 -5.724 7.602 -5.576 1.00 0.00 C ATOM 132 O VAL A 8 -6.226 8.336 -4.750 1.00 0.00 O ATOM 133 CB VAL A 8 -7.219 6.258 -7.074 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.208 6.277 -5.901 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.992 6.299 -8.398 1.00 0.00 C ATOM 0 H VAL A 8 -5.142 6.459 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.879 8.372 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.622 5.347 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.862 5.407 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.658 6.252 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.808 7.186 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.649 5.431 -8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.589 7.210 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.289 6.285 -9.231 1.00 0.00 H new ATOM 145 N ALA A 9 -4.697 6.857 -5.289 1.00 0.00 N ATOM 146 CA ALA A 9 -4.095 6.886 -3.921 1.00 0.00 C ATOM 147 C ALA A 9 -3.384 8.212 -3.665 1.00 0.00 C ATOM 148 O ALA A 9 -3.379 8.720 -2.564 1.00 0.00 O ATOM 149 CB ALA A 9 -3.091 5.746 -3.782 1.00 0.00 C ATOM 0 H ALA A 9 -4.242 6.223 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.897 6.773 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.652 5.767 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.598 4.794 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.304 5.861 -4.527 1.00 0.00 H new ATOM 155 N LEU A 10 -2.767 8.767 -4.663 1.00 0.00 N ATOM 156 CA LEU A 10 -2.045 10.048 -4.462 1.00 0.00 C ATOM 157 C LEU A 10 -3.057 11.090 -3.989 1.00 0.00 C ATOM 158 O LEU A 10 -2.793 11.897 -3.119 1.00 0.00 O ATOM 159 CB LEU A 10 -1.422 10.479 -5.808 1.00 0.00 C ATOM 160 CG LEU A 10 -0.076 11.205 -5.577 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.074 10.181 -5.563 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.159 12.241 -6.694 1.00 0.00 C ATOM 0 H LEU A 10 -2.731 8.390 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.253 9.944 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.266 9.604 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.110 11.137 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.108 11.719 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.020 10.698 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.911 9.462 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.107 9.658 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.109 12.749 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.184 11.736 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.649 12.972 -6.688 1.00 0.00 H new ATOM 174 N ILE A 11 -4.218 11.055 -4.562 1.00 0.00 N ATOM 175 CA ILE A 11 -5.285 12.007 -4.181 1.00 0.00 C ATOM 176 C ILE A 11 -5.805 11.688 -2.766 1.00 0.00 C ATOM 177 O ILE A 11 -6.134 12.577 -2.008 1.00 0.00 O ATOM 178 CB ILE A 11 -6.413 11.919 -5.218 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.919 12.521 -6.545 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.640 12.682 -4.728 1.00 0.00 C ATOM 181 CD1 ILE A 11 -6.923 12.230 -7.671 1.00 0.00 C ATOM 0 H ILE A 11 -4.478 10.393 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.892 13.023 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.690 10.875 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.786 13.597 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.945 12.104 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.433 12.612 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.985 12.251 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.379 13.729 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.559 12.662 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.034 11.152 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.889 12.669 -7.420 1.00 0.00 H new ATOM 193 N ASP A 12 -5.903 10.429 -2.412 1.00 0.00 N ATOM 194 CA ASP A 12 -6.431 10.070 -1.055 1.00 0.00 C ATOM 195 C ASP A 12 -5.555 10.671 0.053 1.00 0.00 C ATOM 196 O ASP A 12 -6.053 11.234 1.007 1.00 0.00 O ATOM 197 CB ASP A 12 -6.433 8.544 -0.905 1.00 0.00 C ATOM 198 CG ASP A 12 -7.059 8.154 0.439 1.00 0.00 C ATOM 199 OD1 ASP A 12 -7.052 8.977 1.340 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.538 7.036 0.542 1.00 0.00 O ATOM 0 H ASP A 12 -5.642 9.637 -3.000 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.441 10.469 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.993 8.090 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.414 8.162 -0.966 1.00 0.00 H new ATOM 205 N VAL A 13 -4.263 10.552 -0.057 1.00 0.00 N ATOM 206 CA VAL A 13 -3.368 11.112 1.002 1.00 0.00 C ATOM 207 C VAL A 13 -3.584 12.627 1.079 1.00 0.00 C ATOM 208 O VAL A 13 -3.620 13.216 2.146 1.00 0.00 O ATOM 209 CB VAL A 13 -1.887 10.736 0.682 1.00 0.00 C ATOM 210 CG1 VAL A 13 -1.011 11.978 0.449 1.00 0.00 C ATOM 211 CG2 VAL A 13 -1.291 9.935 1.847 1.00 0.00 C ATOM 0 H VAL A 13 -3.784 10.093 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.605 10.689 1.978 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.898 10.143 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.010 11.667 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.405 12.548 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.017 12.600 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.257 9.675 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.322 10.537 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.870 9.024 1.996 1.00 0.00 H new ATOM 221 N PHE A 14 -3.734 13.256 -0.046 1.00 0.00 N ATOM 222 CA PHE A 14 -3.953 14.721 -0.048 1.00 0.00 C ATOM 223 C PHE A 14 -5.183 15.034 0.797 1.00 0.00 C ATOM 224 O PHE A 14 -5.207 15.995 1.525 1.00 0.00 O ATOM 225 CB PHE A 14 -4.174 15.199 -1.486 1.00 0.00 C ATOM 226 CG PHE A 14 -4.572 16.655 -1.484 1.00 0.00 C ATOM 227 CD1 PHE A 14 -5.925 17.002 -1.397 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.597 17.655 -1.572 1.00 0.00 C ATOM 229 CE1 PHE A 14 -6.304 18.346 -1.395 1.00 0.00 C ATOM 230 CE2 PHE A 14 -3.977 19.000 -1.570 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.332 19.345 -1.480 1.00 0.00 C ATOM 0 H PHE A 14 -3.714 12.817 -0.967 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.084 15.231 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.263 15.062 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.950 14.601 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.677 16.229 -1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.553 17.388 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.348 18.613 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.226 19.773 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.625 20.384 -1.476 1.00 0.00 H new ATOM 241 N HIS A 15 -6.207 14.234 0.703 1.00 0.00 N ATOM 242 CA HIS A 15 -7.429 14.499 1.511 1.00 0.00 C ATOM 243 C HIS A 15 -7.151 14.235 2.993 1.00 0.00 C ATOM 244 O HIS A 15 -7.823 14.763 3.854 1.00 0.00 O ATOM 245 CB HIS A 15 -8.570 13.594 1.036 1.00 0.00 C ATOM 246 CG HIS A 15 -9.043 14.038 -0.322 1.00 0.00 C ATOM 247 ND1 HIS A 15 -9.411 13.130 -1.306 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.229 15.284 -0.874 1.00 0.00 C ATOM 249 CE1 HIS A 15 -9.795 13.835 -2.386 1.00 0.00 C ATOM 250 NE2 HIS A 15 -9.703 15.148 -2.174 1.00 0.00 N ATOM 0 H HIS A 15 -6.251 13.410 0.103 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.715 15.543 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.231 12.559 0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -9.395 13.630 1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.037 16.222 -0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.136 13.392 -3.310 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.932 15.896 -2.828 1.00 0.00 H new ATOM 259 N GLN A 16 -6.185 13.416 3.308 1.00 0.00 N ATOM 260 CA GLN A 16 -5.906 13.133 4.745 1.00 0.00 C ATOM 261 C GLN A 16 -5.543 14.437 5.476 1.00 0.00 C ATOM 262 O GLN A 16 -6.005 14.685 6.574 1.00 0.00 O ATOM 263 CB GLN A 16 -4.747 12.131 4.837 1.00 0.00 C ATOM 264 CG GLN A 16 -4.445 11.791 6.301 1.00 0.00 C ATOM 265 CD GLN A 16 -5.659 11.110 6.935 1.00 0.00 C ATOM 266 OE1 GLN A 16 -5.739 9.806 6.926 1.00 0.00 O flip ATOM 267 NE2 GLN A 16 -6.543 11.770 7.446 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.582 12.935 2.641 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.792 12.709 5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.000 11.222 4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.859 12.549 4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.576 11.135 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.197 12.699 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.480 12.788 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.347 11.306 7.868 1.00 0.00 H new ATOM 276 N TYR A 17 -4.712 15.268 4.891 1.00 0.00 N ATOM 277 CA TYR A 17 -4.314 16.549 5.576 1.00 0.00 C ATOM 278 C TYR A 17 -5.242 17.708 5.194 1.00 0.00 C ATOM 279 O TYR A 17 -5.507 18.589 5.988 1.00 0.00 O ATOM 280 CB TYR A 17 -2.886 16.905 5.166 1.00 0.00 C ATOM 281 CG TYR A 17 -1.934 15.966 5.855 1.00 0.00 C ATOM 282 CD1 TYR A 17 -1.795 14.657 5.392 1.00 0.00 C ATOM 283 CD2 TYR A 17 -1.202 16.402 6.961 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.922 13.778 6.034 1.00 0.00 C ATOM 285 CE2 TYR A 17 -0.326 15.527 7.606 1.00 0.00 C ATOM 286 CZ TYR A 17 -0.184 14.214 7.145 1.00 0.00 C ATOM 287 OH TYR A 17 0.680 13.350 7.787 1.00 0.00 O ATOM 0 H TYR A 17 -4.292 15.119 3.974 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.386 16.396 6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.774 16.829 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.662 17.936 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.363 14.324 4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.313 17.415 7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.815 12.764 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.242 15.864 8.461 1.00 0.00 H new ATOM 0 HH TYR A 17 0.489 12.430 7.509 1.00 0.00 H new ATOM 297 N SER A 18 -5.709 17.734 3.984 1.00 0.00 N ATOM 298 CA SER A 18 -6.584 18.855 3.548 1.00 0.00 C ATOM 299 C SER A 18 -7.839 18.905 4.422 1.00 0.00 C ATOM 300 O SER A 18 -8.312 19.964 4.784 1.00 0.00 O ATOM 301 CB SER A 18 -6.984 18.649 2.086 1.00 0.00 C ATOM 302 OG SER A 18 -8.118 17.797 2.027 1.00 0.00 O ATOM 0 H SER A 18 -5.524 17.026 3.273 1.00 0.00 H new ATOM 0 HA SER A 18 -6.042 19.795 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.210 19.608 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.156 18.211 1.528 1.00 0.00 H new ATOM 0 HG SER A 18 -8.856 18.264 1.582 1.00 0.00 H new ATOM 308 N GLY A 19 -8.385 17.770 4.755 1.00 0.00 N ATOM 309 CA GLY A 19 -9.616 17.748 5.598 1.00 0.00 C ATOM 310 C GLY A 19 -9.261 18.017 7.061 1.00 0.00 C ATOM 311 O GLY A 19 -10.127 18.208 7.892 1.00 0.00 O ATOM 0 H GLY A 19 -8.032 16.853 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.321 18.500 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.109 16.780 5.508 1.00 0.00 H new ATOM 315 N ARG A 20 -7.999 18.038 7.388 1.00 0.00 N ATOM 316 CA ARG A 20 -7.604 18.297 8.801 1.00 0.00 C ATOM 317 C ARG A 20 -8.126 19.673 9.228 1.00 0.00 C ATOM 318 O ARG A 20 -8.691 19.829 10.292 1.00 0.00 O ATOM 319 CB ARG A 20 -6.080 18.288 8.897 1.00 0.00 C ATOM 320 CG ARG A 20 -5.650 18.472 10.353 1.00 0.00 C ATOM 321 CD ARG A 20 -4.124 18.480 10.416 1.00 0.00 C ATOM 322 NE ARG A 20 -3.662 18.414 11.846 1.00 0.00 N ATOM 323 CZ ARG A 20 -4.032 19.301 12.736 1.00 0.00 C ATOM 324 NH1 ARG A 20 -4.692 20.366 12.380 1.00 0.00 N ATOM 325 NH2 ARG A 20 -3.688 19.146 13.986 1.00 0.00 N ATOM 0 H ARG A 20 -7.226 17.887 6.740 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.024 17.529 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.688 17.348 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.663 19.086 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.049 19.405 10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.049 17.667 10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.725 17.633 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.738 19.383 9.943 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.042 17.656 12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.926 20.517 11.399 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.975 21.049 13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.134 18.337 14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.974 19.834 14.683 1.00 0.00 H new ATOM 339 N GLU A 21 -7.935 20.672 8.399 1.00 0.00 N ATOM 340 CA GLU A 21 -8.408 22.059 8.732 1.00 0.00 C ATOM 341 C GLU A 21 -9.500 22.488 7.745 1.00 0.00 C ATOM 342 O GLU A 21 -9.773 21.818 6.770 1.00 0.00 O ATOM 343 CB GLU A 21 -7.234 23.037 8.641 1.00 0.00 C ATOM 344 CG GLU A 21 -6.254 22.782 9.789 1.00 0.00 C ATOM 345 CD GLU A 21 -5.046 23.711 9.644 1.00 0.00 C ATOM 346 OE1 GLU A 21 -5.086 24.573 8.782 1.00 0.00 O ATOM 347 OE2 GLU A 21 -4.101 23.543 10.398 1.00 0.00 O ATOM 0 H GLU A 21 -7.467 20.587 7.497 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.812 22.064 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.725 22.920 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.600 24.063 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.746 22.954 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.929 21.742 9.780 1.00 0.00 H new ATOM 354 N GLY A 22 -10.140 23.593 8.012 1.00 0.00 N ATOM 355 CA GLY A 22 -11.236 24.075 7.122 1.00 0.00 C ATOM 356 C GLY A 22 -10.784 24.132 5.657 1.00 0.00 C ATOM 357 O GLY A 22 -11.587 23.984 4.757 1.00 0.00 O ATOM 0 H GLY A 22 -9.949 24.189 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.098 23.414 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.559 25.065 7.443 1.00 0.00 H new ATOM 361 N ASP A 23 -9.523 24.358 5.394 1.00 0.00 N ATOM 362 CA ASP A 23 -9.078 24.433 3.972 1.00 0.00 C ATOM 363 C ASP A 23 -9.150 23.041 3.339 1.00 0.00 C ATOM 364 O ASP A 23 -8.146 22.430 3.034 1.00 0.00 O ATOM 365 CB ASP A 23 -7.641 24.944 3.918 1.00 0.00 C ATOM 366 CG ASP A 23 -7.561 26.312 4.599 1.00 0.00 C ATOM 367 OD1 ASP A 23 -8.428 27.131 4.342 1.00 0.00 O ATOM 368 OD2 ASP A 23 -6.636 26.516 5.367 1.00 0.00 O ATOM 0 H ASP A 23 -8.791 24.492 6.092 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.728 25.114 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.974 24.239 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.310 25.021 2.882 1.00 0.00 H new ATOM 373 N LYS A 24 -10.338 22.538 3.150 1.00 0.00 N ATOM 374 CA LYS A 24 -10.506 21.183 2.548 1.00 0.00 C ATOM 375 C LYS A 24 -9.961 21.159 1.116 1.00 0.00 C ATOM 376 O LYS A 24 -9.363 20.190 0.690 1.00 0.00 O ATOM 377 CB LYS A 24 -11.996 20.841 2.506 1.00 0.00 C ATOM 378 CG LYS A 24 -12.523 20.656 3.930 1.00 0.00 C ATOM 379 CD LYS A 24 -13.949 20.098 3.889 1.00 0.00 C ATOM 380 CE LYS A 24 -14.902 21.135 3.286 1.00 0.00 C ATOM 381 NZ LYS A 24 -16.304 20.766 3.622 1.00 0.00 N ATOM 0 H LYS A 24 -11.209 23.012 3.389 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.959 20.460 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.547 21.636 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.154 19.930 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.873 19.977 4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.511 21.609 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.973 19.183 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.274 19.835 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.672 22.127 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.774 21.178 2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.955 21.467 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.519 19.826 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.420 20.746 4.655 1.00 0.00 H new ATOM 395 N HIS A 25 -10.187 22.203 0.357 1.00 0.00 N ATOM 396 CA HIS A 25 -9.710 22.228 -1.064 1.00 0.00 C ATOM 397 C HIS A 25 -8.394 23.001 -1.184 1.00 0.00 C ATOM 398 O HIS A 25 -7.887 23.199 -2.271 1.00 0.00 O ATOM 399 CB HIS A 25 -10.773 22.902 -1.933 1.00 0.00 C ATOM 400 CG HIS A 25 -12.057 22.123 -1.841 1.00 0.00 C ATOM 401 ND1 HIS A 25 -12.246 20.925 -2.516 1.00 0.00 N ATOM 402 CD2 HIS A 25 -13.223 22.354 -1.154 1.00 0.00 C ATOM 403 CE1 HIS A 25 -13.485 20.485 -2.224 1.00 0.00 C ATOM 404 NE2 HIS A 25 -14.119 21.319 -1.399 1.00 0.00 N ATOM 0 H HIS A 25 -10.682 23.042 0.660 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.541 21.204 -1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.932 23.928 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.436 22.949 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.415 23.208 -0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.912 19.571 -2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.063 21.219 -1.026 1.00 0.00 H new ATOM 413 N LYS A 26 -7.830 23.443 -0.087 1.00 0.00 N ATOM 414 CA LYS A 26 -6.541 24.204 -0.157 1.00 0.00 C ATOM 415 C LYS A 26 -5.611 23.801 0.984 1.00 0.00 C ATOM 416 O LYS A 26 -6.029 23.307 2.011 1.00 0.00 O ATOM 417 CB LYS A 26 -6.820 25.706 -0.086 1.00 0.00 C ATOM 418 CG LYS A 26 -7.471 26.158 -1.392 1.00 0.00 C ATOM 419 CD LYS A 26 -7.754 27.660 -1.331 1.00 0.00 C ATOM 420 CE LYS A 26 -8.400 28.110 -2.641 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.357 28.194 -3.704 1.00 0.00 N ATOM 0 H LYS A 26 -8.204 23.311 0.853 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.054 23.968 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.475 25.927 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.892 26.253 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.815 25.935 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.398 25.609 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.414 27.883 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.828 28.209 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.179 27.407 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.879 29.080 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.128 29.192 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.501 27.694 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.714 27.754 -4.576 1.00 0.00 H new ATOM 435 N LEU A 27 -4.338 24.022 0.789 1.00 0.00 N ATOM 436 CA LEU A 27 -3.312 23.680 1.823 1.00 0.00 C ATOM 437 C LEU A 27 -2.617 24.973 2.260 1.00 0.00 C ATOM 438 O LEU A 27 -2.057 25.674 1.446 1.00 0.00 O ATOM 439 CB LEU A 27 -2.256 22.740 1.192 1.00 0.00 C ATOM 440 CG LEU A 27 -2.601 21.261 1.431 1.00 0.00 C ATOM 441 CD1 LEU A 27 -2.550 20.919 2.934 1.00 0.00 C ATOM 442 CD2 LEU A 27 -3.991 20.969 0.869 1.00 0.00 C ATOM 0 H LEU A 27 -3.956 24.434 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.784 23.192 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.192 22.931 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.275 22.958 1.614 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.864 20.641 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.798 19.867 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.548 21.111 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.268 21.537 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.239 19.921 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.726 21.600 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.002 21.177 -0.201 1.00 0.00 H new ATOM 454 N LYS A 28 -2.621 25.291 3.529 1.00 0.00 N ATOM 455 CA LYS A 28 -1.927 26.529 3.985 1.00 0.00 C ATOM 456 C LYS A 28 -0.535 26.157 4.476 1.00 0.00 C ATOM 457 O LYS A 28 -0.310 25.062 4.952 1.00 0.00 O ATOM 458 CB LYS A 28 -2.720 27.178 5.129 1.00 0.00 C ATOM 459 CG LYS A 28 -2.004 28.446 5.625 1.00 0.00 C ATOM 460 CD LYS A 28 -2.813 29.082 6.759 1.00 0.00 C ATOM 461 CE LYS A 28 -2.103 30.346 7.251 1.00 0.00 C ATOM 462 NZ LYS A 28 -2.032 31.339 6.142 1.00 0.00 N ATOM 0 H LYS A 28 -3.073 24.749 4.265 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.854 27.236 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.724 27.430 4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.831 26.470 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.002 28.197 5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.888 29.155 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.816 29.329 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.926 28.374 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.639 30.770 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.099 30.101 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.889 32.291 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.238 31.102 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.919 31.318 5.600 1.00 0.00 H new ATOM 476 N LYS A 29 0.400 27.065 4.357 1.00 0.00 N ATOM 477 CA LYS A 29 1.798 26.796 4.811 1.00 0.00 C ATOM 478 C LYS A 29 1.779 25.982 6.106 1.00 0.00 C ATOM 479 O LYS A 29 2.693 25.238 6.402 1.00 0.00 O ATOM 480 CB LYS A 29 2.486 28.140 5.093 1.00 0.00 C ATOM 481 CG LYS A 29 4.004 27.950 5.176 1.00 0.00 C ATOM 482 CD LYS A 29 4.639 29.162 5.870 1.00 0.00 C ATOM 483 CE LYS A 29 4.338 30.434 5.072 1.00 0.00 C ATOM 484 NZ LYS A 29 5.257 31.525 5.506 1.00 0.00 N ATOM 0 H LYS A 29 0.252 27.993 3.960 1.00 0.00 H new ATOM 0 HA LYS A 29 2.330 26.240 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.244 28.853 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.113 28.559 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.237 27.039 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.421 27.832 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.250 29.257 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.717 29.021 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.460 30.244 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.302 30.735 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.052 32.388 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.119 31.712 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.242 31.237 5.338 1.00 0.00 H new ATOM 498 N SER A 30 0.735 26.115 6.872 1.00 0.00 N ATOM 499 CA SER A 30 0.650 25.343 8.144 1.00 0.00 C ATOM 500 C SER A 30 0.206 23.920 7.824 1.00 0.00 C ATOM 501 O SER A 30 0.813 22.954 8.240 1.00 0.00 O ATOM 502 CB SER A 30 -0.365 26.004 9.077 1.00 0.00 C ATOM 503 OG SER A 30 -0.443 25.266 10.289 1.00 0.00 O ATOM 0 H SER A 30 -0.061 26.722 6.675 1.00 0.00 H new ATOM 0 HA SER A 30 1.623 25.325 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.070 27.033 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.344 26.043 8.599 1.00 0.00 H new ATOM 0 HG SER A 30 -1.092 25.689 10.889 1.00 0.00 H new ATOM 509 N GLU A 31 -0.844 23.792 7.066 1.00 0.00 N ATOM 510 CA GLU A 31 -1.336 22.445 6.686 1.00 0.00 C ATOM 511 C GLU A 31 -0.272 21.770 5.826 1.00 0.00 C ATOM 512 O GLU A 31 -0.034 20.584 5.926 1.00 0.00 O ATOM 513 CB GLU A 31 -2.631 22.590 5.888 1.00 0.00 C ATOM 514 CG GLU A 31 -3.715 23.183 6.790 1.00 0.00 C ATOM 515 CD GLU A 31 -4.929 23.561 5.944 1.00 0.00 C ATOM 516 OE1 GLU A 31 -5.690 22.670 5.600 1.00 0.00 O ATOM 517 OE2 GLU A 31 -5.079 24.737 5.655 1.00 0.00 O ATOM 0 H GLU A 31 -1.386 24.571 6.691 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.530 21.845 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.469 23.233 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.949 21.619 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.002 22.461 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.331 24.062 7.308 1.00 0.00 H new ATOM 524 N LEU A 32 0.370 22.527 4.976 1.00 0.00 N ATOM 525 CA LEU A 32 1.422 21.946 4.103 1.00 0.00 C ATOM 526 C LEU A 32 2.533 21.346 4.966 1.00 0.00 C ATOM 527 O LEU A 32 3.033 20.281 4.685 1.00 0.00 O ATOM 528 CB LEU A 32 1.992 23.054 3.210 1.00 0.00 C ATOM 529 CG LEU A 32 3.153 22.521 2.360 1.00 0.00 C ATOM 530 CD1 LEU A 32 2.683 21.335 1.505 1.00 0.00 C ATOM 531 CD2 LEU A 32 3.655 23.645 1.448 1.00 0.00 C ATOM 0 H LEU A 32 0.208 23.526 4.851 1.00 0.00 H new ATOM 0 HA LEU A 32 0.996 21.158 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.208 23.444 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.337 23.884 3.827 1.00 0.00 H new ATOM 0 HG LEU A 32 3.957 22.183 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.516 20.966 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.322 20.538 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.877 21.658 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.481 23.278 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.844 23.976 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.997 24.482 2.057 1.00 0.00 H new ATOM 543 N LYS A 33 2.928 22.023 6.007 1.00 0.00 N ATOM 544 CA LYS A 33 4.013 21.487 6.879 1.00 0.00 C ATOM 545 C LYS A 33 3.590 20.147 7.486 1.00 0.00 C ATOM 546 O LYS A 33 4.382 19.233 7.610 1.00 0.00 O ATOM 547 CB LYS A 33 4.299 22.478 8.008 1.00 0.00 C ATOM 548 CG LYS A 33 5.496 21.986 8.828 1.00 0.00 C ATOM 549 CD LYS A 33 5.784 22.973 9.956 1.00 0.00 C ATOM 550 CE LYS A 33 7.002 22.493 10.746 1.00 0.00 C ATOM 551 NZ LYS A 33 6.627 21.306 11.564 1.00 0.00 N ATOM 0 H LYS A 33 2.547 22.925 6.293 1.00 0.00 H new ATOM 0 HA LYS A 33 4.909 21.342 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.508 23.465 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.423 22.579 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.287 20.999 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.372 21.885 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.969 23.966 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.918 23.055 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.813 22.237 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.368 23.292 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.376 21.113 12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.733 21.495 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.510 20.480 10.943 1.00 0.00 H new ATOM 565 N GLU A 34 2.356 20.032 7.884 1.00 0.00 N ATOM 566 CA GLU A 34 1.882 18.767 8.501 1.00 0.00 C ATOM 567 C GLU A 34 1.985 17.642 7.476 1.00 0.00 C ATOM 568 O GLU A 34 2.362 16.538 7.785 1.00 0.00 O ATOM 569 CB GLU A 34 0.431 18.943 8.958 1.00 0.00 C ATOM 570 CG GLU A 34 0.385 19.898 10.152 1.00 0.00 C ATOM 571 CD GLU A 34 -1.066 20.095 10.597 1.00 0.00 C ATOM 572 OE1 GLU A 34 -1.756 20.876 9.964 1.00 0.00 O ATOM 573 OE2 GLU A 34 -1.461 19.461 11.563 1.00 0.00 O ATOM 0 H GLU A 34 1.651 20.766 7.807 1.00 0.00 H new ATOM 0 HA GLU A 34 2.496 18.516 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.174 19.336 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.006 17.978 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.977 19.496 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.826 20.857 9.881 1.00 0.00 H new ATOM 580 N LEU A 35 1.656 17.913 6.253 1.00 0.00 N ATOM 581 CA LEU A 35 1.762 16.855 5.216 1.00 0.00 C ATOM 582 C LEU A 35 3.217 16.401 5.143 1.00 0.00 C ATOM 583 O LEU A 35 3.522 15.230 5.143 1.00 0.00 O ATOM 584 CB LEU A 35 1.322 17.438 3.857 1.00 0.00 C ATOM 585 CG LEU A 35 1.517 16.424 2.699 1.00 0.00 C ATOM 586 CD1 LEU A 35 3.012 16.254 2.327 1.00 0.00 C ATOM 587 CD2 LEU A 35 0.918 15.068 3.087 1.00 0.00 C ATOM 0 H LEU A 35 1.319 18.817 5.923 1.00 0.00 H new ATOM 0 HA LEU A 35 1.123 16.007 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.273 17.730 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.894 18.342 3.648 1.00 0.00 H new ATOM 0 HG LEU A 35 1.001 16.817 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.105 15.536 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.420 17.214 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.564 15.892 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.058 14.361 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.416 14.693 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.147 15.185 3.287 1.00 0.00 H new ATOM 599 N ILE A 36 4.113 17.337 5.038 1.00 0.00 N ATOM 600 CA ILE A 36 5.557 17.000 4.908 1.00 0.00 C ATOM 601 C ILE A 36 6.157 16.491 6.224 1.00 0.00 C ATOM 602 O ILE A 36 6.883 15.518 6.245 1.00 0.00 O ATOM 603 CB ILE A 36 6.317 18.266 4.494 1.00 0.00 C ATOM 604 CG1 ILE A 36 5.758 18.798 3.167 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.800 17.927 4.332 1.00 0.00 C ATOM 606 CD1 ILE A 36 6.446 20.116 2.795 1.00 0.00 C ATOM 0 H ILE A 36 3.905 18.336 5.037 1.00 0.00 H new ATOM 0 HA ILE A 36 5.649 16.208 4.165 1.00 0.00 H new ATOM 0 HB ILE A 36 6.197 19.032 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.913 18.063 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.682 18.952 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.348 18.822 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.194 17.555 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.917 17.162 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.042 20.484 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.268 20.853 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.518 19.950 2.690 1.00 0.00 H new ATOM 618 N ASN A 37 5.923 17.176 7.304 1.00 0.00 N ATOM 619 CA ASN A 37 6.552 16.770 8.596 1.00 0.00 C ATOM 620 C ASN A 37 5.963 15.479 9.179 1.00 0.00 C ATOM 621 O ASN A 37 6.669 14.673 9.752 1.00 0.00 O ATOM 622 CB ASN A 37 6.355 17.900 9.606 1.00 0.00 C ATOM 623 CG ASN A 37 7.012 17.516 10.931 1.00 0.00 C ATOM 624 OD1 ASN A 37 8.257 17.838 11.143 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 6.384 16.921 11.784 1.00 0.00 N flip ATOM 0 H ASN A 37 5.324 18.000 7.353 1.00 0.00 H new ATOM 0 HA ASN A 37 7.607 16.578 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.791 18.823 9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.292 18.088 9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.410 16.669 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.831 16.673 12.667 1.00 0.00 H new ATOM 632 N ASN A 38 4.677 15.312 9.105 1.00 0.00 N ATOM 633 CA ASN A 38 4.028 14.110 9.734 1.00 0.00 C ATOM 634 C ASN A 38 3.780 12.958 8.747 1.00 0.00 C ATOM 635 O ASN A 38 3.797 11.807 9.138 1.00 0.00 O ATOM 636 CB ASN A 38 2.689 14.540 10.332 1.00 0.00 C ATOM 637 CG ASN A 38 2.938 15.500 11.496 1.00 0.00 C ATOM 638 OD1 ASN A 38 4.165 15.755 11.863 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 2.008 16.028 12.074 1.00 0.00 N flip ATOM 0 H ASN A 38 4.036 15.952 8.637 1.00 0.00 H new ATOM 0 HA ASN A 38 4.715 13.735 10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.077 15.024 9.571 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.136 13.667 10.678 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.050 15.829 11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.186 16.671 12.846 1.00 0.00 H new ATOM 646 N GLU A 39 3.525 13.218 7.490 1.00 0.00 N ATOM 647 CA GLU A 39 3.259 12.075 6.562 1.00 0.00 C ATOM 648 C GLU A 39 4.588 11.482 6.103 1.00 0.00 C ATOM 649 O GLU A 39 4.629 10.435 5.488 1.00 0.00 O ATOM 650 CB GLU A 39 2.455 12.554 5.342 1.00 0.00 C ATOM 651 CG GLU A 39 1.772 11.360 4.670 1.00 0.00 C ATOM 652 CD GLU A 39 1.074 11.824 3.390 1.00 0.00 C ATOM 653 OE1 GLU A 39 0.014 12.417 3.497 1.00 0.00 O ATOM 654 OE2 GLU A 39 1.610 11.575 2.322 1.00 0.00 O ATOM 0 H GLU A 39 3.489 14.148 7.072 1.00 0.00 H new ATOM 0 HA GLU A 39 2.678 11.316 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.708 13.285 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.115 13.053 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.508 10.591 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.047 10.912 5.350 1.00 0.00 H new ATOM 661 N LEU A 40 5.677 12.148 6.398 1.00 0.00 N ATOM 662 CA LEU A 40 7.024 11.643 5.982 1.00 0.00 C ATOM 663 C LEU A 40 7.944 11.594 7.204 1.00 0.00 C ATOM 664 O LEU A 40 9.003 12.191 7.220 1.00 0.00 O ATOM 665 CB LEU A 40 7.616 12.602 4.947 1.00 0.00 C ATOM 666 CG LEU A 40 6.608 12.834 3.810 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.110 13.951 2.892 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.433 11.549 2.992 1.00 0.00 C ATOM 0 H LEU A 40 5.691 13.028 6.914 1.00 0.00 H new ATOM 0 HA LEU A 40 6.929 10.645 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.868 13.551 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.542 12.191 4.545 1.00 0.00 H new ATOM 0 HG LEU A 40 5.650 13.120 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.392 14.111 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.223 14.871 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.073 13.668 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.717 11.724 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.392 11.256 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.065 10.753 3.639 1.00 0.00 H new ATOM 680 N SER A 41 7.545 10.894 8.233 1.00 0.00 N ATOM 681 CA SER A 41 8.394 10.819 9.456 1.00 0.00 C ATOM 682 C SER A 41 9.759 10.211 9.116 1.00 0.00 C ATOM 683 O SER A 41 10.776 10.646 9.620 1.00 0.00 O ATOM 684 CB SER A 41 7.704 9.949 10.509 1.00 0.00 C ATOM 685 OG SER A 41 6.460 10.538 10.861 1.00 0.00 O ATOM 0 H SER A 41 6.670 10.372 8.279 1.00 0.00 H new ATOM 0 HA SER A 41 8.537 11.827 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.546 8.943 10.120 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.337 9.854 11.391 1.00 0.00 H new ATOM 0 HG SER A 41 6.014 9.983 11.534 1.00 0.00 H new ATOM 691 N HIS A 42 9.797 9.205 8.274 1.00 0.00 N ATOM 692 CA HIS A 42 11.109 8.569 7.916 1.00 0.00 C ATOM 693 C HIS A 42 11.166 8.244 6.417 1.00 0.00 C ATOM 694 O HIS A 42 12.227 8.002 5.874 1.00 0.00 O ATOM 695 CB HIS A 42 11.277 7.274 8.712 1.00 0.00 C ATOM 696 CG HIS A 42 12.628 6.688 8.413 1.00 0.00 C ATOM 697 ND1 HIS A 42 13.806 7.369 8.688 1.00 0.00 N ATOM 698 CD2 HIS A 42 13.007 5.496 7.846 1.00 0.00 C ATOM 699 CE1 HIS A 42 14.828 6.590 8.289 1.00 0.00 C ATOM 700 NE2 HIS A 42 14.394 5.440 7.769 1.00 0.00 N ATOM 0 H HIS A 42 8.980 8.797 7.820 1.00 0.00 H new ATOM 0 HA HIS A 42 11.910 9.268 8.156 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.181 7.473 9.779 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.492 6.565 8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.332 4.722 7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.870 6.861 8.378 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.961 4.680 7.394 1.00 0.00 H new ATOM 709 N PHE A 43 10.050 8.224 5.739 1.00 0.00 N ATOM 710 CA PHE A 43 10.080 7.901 4.281 1.00 0.00 C ATOM 711 C PHE A 43 10.912 8.957 3.547 1.00 0.00 C ATOM 712 O PHE A 43 11.700 8.647 2.675 1.00 0.00 O ATOM 713 CB PHE A 43 8.644 7.872 3.738 1.00 0.00 C ATOM 714 CG PHE A 43 8.610 7.850 2.216 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.624 7.225 1.464 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.533 8.457 1.551 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.554 7.213 0.065 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.467 8.440 0.153 1.00 0.00 C ATOM 719 CZ PHE A 43 8.477 7.819 -0.590 1.00 0.00 C ATOM 0 H PHE A 43 9.126 8.415 6.126 1.00 0.00 H new ATOM 0 HA PHE A 43 10.534 6.923 4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.128 6.993 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.102 8.745 4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.456 6.755 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.752 8.939 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.334 6.735 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.635 8.907 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.425 7.808 -1.669 1.00 0.00 H new ATOM 729 N LEU A 44 10.751 10.203 3.911 1.00 0.00 N ATOM 730 CA LEU A 44 11.532 11.304 3.266 1.00 0.00 C ATOM 731 C LEU A 44 12.062 12.219 4.369 1.00 0.00 C ATOM 732 O LEU A 44 11.554 12.222 5.474 1.00 0.00 O ATOM 733 CB LEU A 44 10.619 12.108 2.324 1.00 0.00 C ATOM 734 CG LEU A 44 11.470 12.895 1.297 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.706 12.033 0.050 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.735 14.183 0.891 1.00 0.00 C ATOM 0 H LEU A 44 10.103 10.509 4.637 1.00 0.00 H new ATOM 0 HA LEU A 44 12.357 10.890 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.938 11.435 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.004 12.798 2.903 1.00 0.00 H new ATOM 0 HG LEU A 44 12.428 13.150 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.305 12.591 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.233 11.122 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.748 11.773 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.338 14.733 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.774 13.928 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.571 14.802 1.773 1.00 0.00 H new ATOM 748 N GLU A 45 13.071 12.994 4.095 1.00 0.00 N ATOM 749 CA GLU A 45 13.598 13.888 5.157 1.00 0.00 C ATOM 750 C GLU A 45 12.471 14.808 5.623 1.00 0.00 C ATOM 751 O GLU A 45 12.019 15.673 4.899 1.00 0.00 O ATOM 752 CB GLU A 45 14.744 14.729 4.596 1.00 0.00 C ATOM 753 CG GLU A 45 15.397 15.525 5.727 1.00 0.00 C ATOM 754 CD GLU A 45 16.140 14.570 6.663 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.419 13.459 6.243 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.416 14.966 7.784 1.00 0.00 O ATOM 0 H GLU A 45 13.548 13.047 3.195 1.00 0.00 H new ATOM 0 HA GLU A 45 13.967 13.295 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.482 14.084 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.369 15.407 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.089 16.260 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.639 16.077 6.282 1.00 0.00 H new ATOM 763 N GLU A 46 12.014 14.624 6.829 1.00 0.00 N ATOM 764 CA GLU A 46 10.916 15.482 7.348 1.00 0.00 C ATOM 765 C GLU A 46 11.446 16.906 7.568 1.00 0.00 C ATOM 766 O GLU A 46 12.604 17.104 7.881 1.00 0.00 O ATOM 767 CB GLU A 46 10.375 14.871 8.660 1.00 0.00 C ATOM 768 CG GLU A 46 11.130 15.408 9.883 1.00 0.00 C ATOM 769 CD GLU A 46 10.744 14.591 11.117 1.00 0.00 C ATOM 770 OE1 GLU A 46 9.557 14.453 11.365 1.00 0.00 O ATOM 771 OE2 GLU A 46 11.642 14.118 11.794 1.00 0.00 O ATOM 0 H GLU A 46 12.355 13.915 7.478 1.00 0.00 H new ATOM 0 HA GLU A 46 10.097 15.532 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.313 15.098 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.467 13.786 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.205 15.348 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.890 16.460 10.040 1.00 0.00 H new ATOM 778 N ILE A 47 10.609 17.896 7.421 1.00 0.00 N ATOM 779 CA ILE A 47 11.068 19.297 7.637 1.00 0.00 C ATOM 780 C ILE A 47 11.095 19.576 9.137 1.00 0.00 C ATOM 781 O ILE A 47 10.250 19.119 9.881 1.00 0.00 O ATOM 782 CB ILE A 47 10.141 20.267 6.903 1.00 0.00 C ATOM 783 CG1 ILE A 47 10.382 20.096 5.397 1.00 0.00 C ATOM 784 CG2 ILE A 47 10.455 21.704 7.335 1.00 0.00 C ATOM 785 CD1 ILE A 47 9.442 20.995 4.599 1.00 0.00 C ATOM 0 H ILE A 47 9.628 17.795 7.161 1.00 0.00 H new ATOM 0 HA ILE A 47 12.072 19.435 7.236 1.00 0.00 H new ATOM 0 HB ILE A 47 9.097 20.060 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.417 20.340 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 47 10.226 19.055 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.794 22.394 6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.304 21.802 8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.491 21.939 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.627 20.860 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.408 20.731 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.618 22.036 4.869 1.00 0.00 H new ATOM 797 N LYS A 48 12.102 20.279 9.590 1.00 0.00 N ATOM 798 CA LYS A 48 12.256 20.548 11.051 1.00 0.00 C ATOM 799 C LYS A 48 11.977 22.018 11.388 1.00 0.00 C ATOM 800 O LYS A 48 11.883 22.376 12.545 1.00 0.00 O ATOM 801 CB LYS A 48 13.703 20.207 11.439 1.00 0.00 C ATOM 802 CG LYS A 48 14.163 18.920 10.703 1.00 0.00 C ATOM 803 CD LYS A 48 14.918 19.267 9.408 1.00 0.00 C ATOM 804 CE LYS A 48 15.540 17.995 8.827 1.00 0.00 C ATOM 805 NZ LYS A 48 16.787 17.669 9.575 1.00 0.00 N ATOM 0 H LYS A 48 12.832 20.682 9.003 1.00 0.00 H new ATOM 0 HA LYS A 48 11.539 19.941 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.362 21.037 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.775 20.064 12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.807 18.333 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.297 18.301 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.236 19.715 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.694 20.004 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.834 17.167 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.763 18.136 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.613 17.849 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.847 18.263 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.773 16.667 9.853 1.00 0.00 H new ATOM 819 N GLU A 49 11.863 22.878 10.406 1.00 0.00 N ATOM 820 CA GLU A 49 11.613 24.322 10.704 1.00 0.00 C ATOM 821 C GLU A 49 10.608 24.895 9.702 1.00 0.00 C ATOM 822 O GLU A 49 10.621 24.575 8.531 1.00 0.00 O ATOM 823 CB GLU A 49 12.937 25.079 10.620 1.00 0.00 C ATOM 824 CG GLU A 49 12.751 26.509 11.134 1.00 0.00 C ATOM 825 CD GLU A 49 12.511 26.480 12.645 1.00 0.00 C ATOM 826 OE1 GLU A 49 12.859 25.486 13.263 1.00 0.00 O ATOM 827 OE2 GLU A 49 11.979 27.450 13.158 1.00 0.00 O ATOM 0 H GLU A 49 11.932 22.644 9.416 1.00 0.00 H new ATOM 0 HA GLU A 49 11.197 24.427 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.697 24.567 11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.292 25.097 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.634 27.106 10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.908 26.981 10.630 1.00 0.00 H new ATOM 834 N GLN A 50 9.728 25.734 10.173 1.00 0.00 N ATOM 835 CA GLN A 50 8.692 26.348 9.289 1.00 0.00 C ATOM 836 C GLN A 50 9.350 27.156 8.168 1.00 0.00 C ATOM 837 O GLN A 50 8.797 27.304 7.101 1.00 0.00 O ATOM 838 CB GLN A 50 7.810 27.276 10.129 1.00 0.00 C ATOM 839 CG GLN A 50 6.603 27.739 9.308 1.00 0.00 C ATOM 840 CD GLN A 50 5.651 26.563 9.086 1.00 0.00 C ATOM 841 OE1 GLN A 50 5.491 26.088 7.882 1.00 0.00 O flip ATOM 842 NE2 GLN A 50 5.042 26.077 10.018 1.00 0.00 N flip ATOM 0 H GLN A 50 9.681 26.026 11.149 1.00 0.00 H new ATOM 0 HA GLN A 50 8.092 25.555 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.472 26.756 11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.388 28.139 10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.085 28.546 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.934 28.138 8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.168 26.449 10.959 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.405 25.297 9.859 1.00 0.00 H new ATOM 851 N GLU A 51 10.507 27.705 8.407 1.00 0.00 N ATOM 852 CA GLU A 51 11.173 28.531 7.354 1.00 0.00 C ATOM 853 C GLU A 51 11.428 27.694 6.103 1.00 0.00 C ATOM 854 O GLU A 51 11.282 28.174 5.002 1.00 0.00 O ATOM 855 CB GLU A 51 12.494 29.088 7.893 1.00 0.00 C ATOM 856 CG GLU A 51 13.509 27.955 8.054 1.00 0.00 C ATOM 857 CD GLU A 51 14.720 28.461 8.838 1.00 0.00 C ATOM 858 OE1 GLU A 51 14.895 29.666 8.906 1.00 0.00 O ATOM 859 OE2 GLU A 51 15.452 27.634 9.357 1.00 0.00 O ATOM 0 H GLU A 51 11.022 27.620 9.283 1.00 0.00 H new ATOM 0 HA GLU A 51 10.517 29.359 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.885 29.844 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.328 29.578 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.051 27.114 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.822 27.592 7.075 1.00 0.00 H new ATOM 866 N VAL A 52 11.797 26.454 6.247 1.00 0.00 N ATOM 867 CA VAL A 52 12.038 25.624 5.036 1.00 0.00 C ATOM 868 C VAL A 52 10.752 25.567 4.238 1.00 0.00 C ATOM 869 O VAL A 52 10.755 25.623 3.031 1.00 0.00 O ATOM 870 CB VAL A 52 12.449 24.214 5.444 1.00 0.00 C ATOM 871 CG1 VAL A 52 12.673 23.359 4.197 1.00 0.00 C ATOM 872 CG2 VAL A 52 13.732 24.271 6.269 1.00 0.00 C ATOM 0 H VAL A 52 11.941 25.983 7.140 1.00 0.00 H new ATOM 0 HA VAL A 52 12.838 26.061 4.438 1.00 0.00 H new ATOM 0 HB VAL A 52 11.656 23.768 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.967 22.352 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.751 23.312 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.461 23.802 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.023 23.261 6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.527 24.721 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.563 24.871 7.163 1.00 0.00 H new ATOM 882 N VAL A 53 9.655 25.447 4.913 1.00 0.00 N ATOM 883 CA VAL A 53 8.347 25.387 4.218 1.00 0.00 C ATOM 884 C VAL A 53 8.099 26.695 3.471 1.00 0.00 C ATOM 885 O VAL A 53 7.556 26.700 2.393 1.00 0.00 O ATOM 886 CB VAL A 53 7.256 25.171 5.255 1.00 0.00 C ATOM 887 CG1 VAL A 53 5.905 25.016 4.565 1.00 0.00 C ATOM 888 CG2 VAL A 53 7.577 23.915 6.053 1.00 0.00 C ATOM 0 H VAL A 53 9.605 25.387 5.930 1.00 0.00 H new ATOM 0 HA VAL A 53 8.344 24.567 3.500 1.00 0.00 H new ATOM 0 HB VAL A 53 7.210 26.031 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.129 24.862 5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.683 25.917 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.936 24.158 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.801 23.750 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.621 23.058 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.539 24.036 6.550 1.00 0.00 H new ATOM 898 N ASP A 54 8.473 27.801 4.050 1.00 0.00 N ATOM 899 CA ASP A 54 8.255 29.116 3.383 1.00 0.00 C ATOM 900 C ASP A 54 9.060 29.172 2.086 1.00 0.00 C ATOM 901 O ASP A 54 8.624 29.700 1.085 1.00 0.00 O ATOM 902 CB ASP A 54 8.698 30.249 4.316 1.00 0.00 C ATOM 903 CG ASP A 54 8.429 31.604 3.651 1.00 0.00 C ATOM 904 OD1 ASP A 54 8.274 31.630 2.442 1.00 0.00 O ATOM 905 OD2 ASP A 54 8.383 32.592 4.366 1.00 0.00 O ATOM 0 H ASP A 54 8.924 27.852 4.964 1.00 0.00 H new ATOM 0 HA ASP A 54 7.196 29.233 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.160 30.185 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.759 30.150 4.545 1.00 0.00 H new ATOM 910 N LYS A 55 10.237 28.638 2.105 1.00 0.00 N ATOM 911 CA LYS A 55 11.088 28.652 0.885 1.00 0.00 C ATOM 912 C LYS A 55 10.432 27.760 -0.161 1.00 0.00 C ATOM 913 O LYS A 55 10.380 28.077 -1.336 1.00 0.00 O ATOM 914 CB LYS A 55 12.482 28.128 1.231 1.00 0.00 C ATOM 915 CG LYS A 55 13.386 28.214 0.001 1.00 0.00 C ATOM 916 CD LYS A 55 14.780 27.691 0.356 1.00 0.00 C ATOM 917 CE LYS A 55 15.729 27.928 -0.819 1.00 0.00 C ATOM 918 NZ LYS A 55 15.962 29.391 -0.976 1.00 0.00 N ATOM 0 H LYS A 55 10.656 28.187 2.918 1.00 0.00 H new ATOM 0 HA LYS A 55 11.186 29.666 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.907 28.711 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.418 27.096 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.963 27.629 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.450 29.246 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.154 28.197 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.732 26.627 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.675 27.414 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.304 27.516 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.852 29.548 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.175 29.813 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.023 29.836 -0.038 1.00 0.00 H new ATOM 932 N VAL A 56 9.905 26.655 0.273 1.00 0.00 N ATOM 933 CA VAL A 56 9.217 25.735 -0.665 1.00 0.00 C ATOM 934 C VAL A 56 7.997 26.464 -1.205 1.00 0.00 C ATOM 935 O VAL A 56 7.565 26.250 -2.320 1.00 0.00 O ATOM 936 CB VAL A 56 8.801 24.459 0.079 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.781 23.667 -0.746 1.00 0.00 C ATOM 938 CG2 VAL A 56 10.041 23.594 0.303 1.00 0.00 C ATOM 0 H VAL A 56 9.922 26.347 1.245 1.00 0.00 H new ATOM 0 HA VAL A 56 9.874 25.446 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 56 8.348 24.732 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.496 22.765 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.897 24.281 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.223 23.391 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.759 22.683 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.482 23.333 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.768 24.147 0.897 1.00 0.00 H new ATOM 948 N MET A 57 7.442 27.333 -0.411 1.00 0.00 N ATOM 949 CA MET A 57 6.250 28.090 -0.866 1.00 0.00 C ATOM 950 C MET A 57 6.658 29.066 -1.964 1.00 0.00 C ATOM 951 O MET A 57 5.921 29.304 -2.887 1.00 0.00 O ATOM 952 CB MET A 57 5.609 28.843 0.318 1.00 0.00 C ATOM 953 CG MET A 57 4.655 27.921 1.100 1.00 0.00 C ATOM 954 SD MET A 57 3.406 28.940 1.929 1.00 0.00 S ATOM 955 CE MET A 57 1.937 27.938 1.557 1.00 0.00 C ATOM 0 H MET A 57 7.763 27.551 0.532 1.00 0.00 H new ATOM 0 HA MET A 57 5.512 27.394 -1.265 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.388 29.215 0.983 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.062 29.711 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.176 27.213 0.424 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.211 27.336 1.832 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.158 28.149 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.573 28.183 0.559 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.198 26.880 1.599 1.00 0.00 H new ATOM 965 N GLU A 58 7.827 29.621 -1.908 1.00 0.00 N ATOM 966 CA GLU A 58 8.210 30.556 -2.994 1.00 0.00 C ATOM 967 C GLU A 58 8.104 29.795 -4.314 1.00 0.00 C ATOM 968 O GLU A 58 7.643 30.313 -5.313 1.00 0.00 O ATOM 969 CB GLU A 58 9.647 31.029 -2.782 1.00 0.00 C ATOM 970 CG GLU A 58 10.010 32.056 -3.855 1.00 0.00 C ATOM 971 CD GLU A 58 11.431 32.564 -3.612 1.00 0.00 C ATOM 972 OE1 GLU A 58 12.013 32.181 -2.609 1.00 0.00 O ATOM 973 OE2 GLU A 58 11.914 33.329 -4.430 1.00 0.00 O ATOM 0 H GLU A 58 8.522 29.475 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 58 7.557 31.429 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.753 31.470 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.331 30.181 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.938 31.605 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.306 32.888 -3.831 1.00 0.00 H new ATOM 980 N THR A 59 8.516 28.558 -4.313 1.00 0.00 N ATOM 981 CA THR A 59 8.433 27.729 -5.548 1.00 0.00 C ATOM 982 C THR A 59 7.071 27.029 -5.651 1.00 0.00 C ATOM 983 O THR A 59 6.505 26.910 -6.719 1.00 0.00 O ATOM 984 CB THR A 59 9.532 26.666 -5.500 1.00 0.00 C ATOM 985 OG1 THR A 59 10.804 27.295 -5.572 1.00 0.00 O ATOM 986 CG2 THR A 59 9.375 25.692 -6.667 1.00 0.00 C ATOM 0 H THR A 59 8.910 28.082 -3.502 1.00 0.00 H new ATOM 0 HA THR A 59 8.557 28.378 -6.415 1.00 0.00 H new ATOM 0 HB THR A 59 9.450 26.113 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.508 26.614 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.163 24.940 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.403 25.203 -6.605 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.447 26.237 -7.608 1.00 0.00 H new ATOM 994 N LEU A 60 6.562 26.522 -4.557 1.00 0.00 N ATOM 995 CA LEU A 60 5.270 25.781 -4.605 1.00 0.00 C ATOM 996 C LEU A 60 4.091 26.747 -4.478 1.00 0.00 C ATOM 997 O LEU A 60 2.988 26.435 -4.877 1.00 0.00 O ATOM 998 CB LEU A 60 5.239 24.757 -3.463 1.00 0.00 C ATOM 999 CG LEU A 60 3.946 23.930 -3.516 1.00 0.00 C ATOM 1000 CD1 LEU A 60 3.853 23.166 -4.849 1.00 0.00 C ATOM 1001 CD2 LEU A 60 3.950 22.932 -2.354 1.00 0.00 C ATOM 0 H LEU A 60 6.988 26.590 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 60 5.185 25.267 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.103 24.097 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.310 25.271 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 60 3.088 24.597 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.931 22.585 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.855 23.876 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.707 22.496 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.036 22.339 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.814 22.273 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.003 23.473 -1.410 1.00 0.00 H new ATOM 1013 N ASP A 61 4.303 27.927 -3.961 1.00 0.00 N ATOM 1014 CA ASP A 61 3.165 28.891 -3.871 1.00 0.00 C ATOM 1015 C ASP A 61 3.055 29.537 -5.236 1.00 0.00 C ATOM 1016 O ASP A 61 3.315 30.709 -5.422 1.00 0.00 O ATOM 1017 CB ASP A 61 3.415 29.958 -2.802 1.00 0.00 C ATOM 1018 CG ASP A 61 2.101 30.663 -2.463 1.00 0.00 C ATOM 1019 OD1 ASP A 61 1.178 30.566 -3.253 1.00 0.00 O ATOM 1020 OD2 ASP A 61 2.041 31.286 -1.416 1.00 0.00 O ATOM 0 H ASP A 61 5.197 28.263 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 61 2.247 28.376 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.834 29.499 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.146 30.683 -3.161 1.00 0.00 H new ATOM 1025 N GLU A 62 2.715 28.747 -6.197 1.00 0.00 N ATOM 1026 CA GLU A 62 2.623 29.242 -7.589 1.00 0.00 C ATOM 1027 C GLU A 62 1.637 30.406 -7.674 1.00 0.00 C ATOM 1028 O GLU A 62 1.867 31.372 -8.374 1.00 0.00 O ATOM 1029 CB GLU A 62 2.126 28.098 -8.462 1.00 0.00 C ATOM 1030 CG GLU A 62 2.928 26.828 -8.147 1.00 0.00 C ATOM 1031 CD GLU A 62 2.641 25.775 -9.218 1.00 0.00 C ATOM 1032 OE1 GLU A 62 1.779 26.020 -10.046 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.290 24.742 -9.194 1.00 0.00 O ATOM 0 H GLU A 62 2.492 27.759 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 62 3.600 29.590 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.065 27.924 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.234 28.357 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.994 27.054 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.657 26.447 -7.163 1.00 0.00 H new ATOM 1040 N ASP A 63 0.541 30.326 -6.974 1.00 0.00 N ATOM 1041 CA ASP A 63 -0.453 31.437 -7.025 1.00 0.00 C ATOM 1042 C ASP A 63 -0.021 32.546 -6.064 1.00 0.00 C ATOM 1043 O ASP A 63 -0.568 33.631 -6.066 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.835 30.908 -6.637 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.817 30.424 -5.190 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.748 30.403 -4.605 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.877 30.085 -4.691 1.00 0.00 O ATOM 0 H ASP A 63 0.289 29.543 -6.370 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.503 31.841 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.582 31.693 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.121 30.091 -7.300 1.00 0.00 H new ATOM 1052 N GLY A 64 0.974 32.288 -5.260 1.00 0.00 N ATOM 1053 CA GLY A 64 1.465 33.336 -4.317 1.00 0.00 C ATOM 1054 C GLY A 64 0.345 33.764 -3.367 1.00 0.00 C ATOM 1055 O GLY A 64 0.191 34.934 -3.074 1.00 0.00 O ATOM 0 H GLY A 64 1.469 31.397 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.310 32.953 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.825 34.199 -4.877 1.00 0.00 H new ATOM 1059 N ASP A 65 -0.435 32.833 -2.878 1.00 0.00 N ATOM 1060 CA ASP A 65 -1.544 33.189 -1.936 1.00 0.00 C ATOM 1061 C ASP A 65 -1.152 32.757 -0.527 1.00 0.00 C ATOM 1062 O ASP A 65 -1.915 32.888 0.411 1.00 0.00 O ATOM 1063 CB ASP A 65 -2.815 32.449 -2.352 1.00 0.00 C ATOM 1064 CG ASP A 65 -2.565 30.947 -2.261 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -1.407 30.566 -2.232 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -3.531 30.204 -2.222 1.00 0.00 O ATOM 0 H ASP A 65 -0.353 31.839 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.721 34.264 -1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.645 32.733 -1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.095 32.723 -3.369 1.00 0.00 H new ATOM 1071 N GLY A 66 0.026 32.221 -0.374 1.00 0.00 N ATOM 1072 CA GLY A 66 0.459 31.756 0.973 1.00 0.00 C ATOM 1073 C GLY A 66 -0.173 30.388 1.237 1.00 0.00 C ATOM 1074 O GLY A 66 -0.163 29.887 2.341 1.00 0.00 O ATOM 0 H GLY A 66 0.707 32.085 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.546 31.687 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.152 32.470 1.738 1.00 0.00 H new ATOM 1078 N GLU A 67 -0.729 29.794 0.213 1.00 0.00 N ATOM 1079 CA GLU A 67 -1.373 28.456 0.347 1.00 0.00 C ATOM 1080 C GLU A 67 -1.238 27.716 -0.989 1.00 0.00 C ATOM 1081 O GLU A 67 -1.567 28.249 -2.028 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.868 28.622 0.655 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.068 29.663 1.754 1.00 0.00 C ATOM 1084 CD GLU A 67 -4.551 29.733 2.123 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -5.346 29.143 1.411 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -4.865 30.376 3.111 1.00 0.00 O ATOM 0 H GLU A 67 -0.764 30.188 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.892 27.902 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.401 28.927 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.291 27.667 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.476 29.401 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.720 30.638 1.414 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.790 26.491 -0.985 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.683 25.745 -2.287 1.00 0.00 C ATOM 1095 C CYS A 68 -2.014 25.034 -2.555 1.00 0.00 C ATOM 1096 O CYS A 68 -2.519 24.301 -1.732 1.00 0.00 O ATOM 1097 CB CYS A 68 0.480 24.743 -2.247 1.00 0.00 C ATOM 1098 SG CYS A 68 -0.014 23.249 -1.352 1.00 0.00 S ATOM 0 H CYS A 68 -0.496 25.975 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.477 26.446 -3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.782 24.485 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.345 25.197 -1.763 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.288 23.048 -1.513 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.592 25.273 -3.698 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.905 24.649 -4.031 1.00 0.00 C ATOM 1106 C ASP A 69 -3.724 23.158 -4.317 1.00 0.00 C ATOM 1107 O ASP A 69 -2.640 22.698 -4.614 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.490 25.337 -5.268 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.920 26.760 -4.905 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -5.106 27.017 -3.727 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -5.055 27.568 -5.809 1.00 0.00 O ATOM 0 H ASP A 69 -2.209 25.879 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.582 24.767 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.750 25.362 -6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.344 24.772 -5.642 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.786 22.398 -4.229 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.692 20.936 -4.493 1.00 0.00 C ATOM 1118 C PHE A 70 -3.908 20.715 -5.793 1.00 0.00 C ATOM 1119 O PHE A 70 -3.122 19.798 -5.905 1.00 0.00 O ATOM 1120 CB PHE A 70 -6.133 20.350 -4.553 1.00 0.00 C ATOM 1121 CG PHE A 70 -6.522 19.872 -5.937 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -6.222 18.562 -6.325 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -7.207 20.724 -6.812 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -6.602 18.103 -7.590 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -7.594 20.262 -8.077 1.00 0.00 C ATOM 1126 CZ PHE A 70 -7.290 18.950 -8.465 1.00 0.00 C ATOM 0 H PHE A 70 -5.718 22.732 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.156 20.418 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.210 19.518 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.842 21.110 -4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.697 17.905 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.437 21.736 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.364 17.094 -7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.126 20.916 -8.752 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.587 18.593 -9.440 1.00 0.00 H new ATOM 1136 N GLN A 71 -4.112 21.556 -6.765 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.371 21.409 -8.049 1.00 0.00 C ATOM 1138 C GLN A 71 -1.886 21.754 -7.844 1.00 0.00 C ATOM 1139 O GLN A 71 -1.016 21.106 -8.388 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.983 22.334 -9.100 1.00 0.00 C ATOM 1141 CG GLN A 71 -4.061 23.759 -8.551 1.00 0.00 C ATOM 1142 CD GLN A 71 -4.773 24.657 -9.562 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -5.851 24.337 -10.022 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -4.211 25.775 -9.931 1.00 0.00 N ATOM 0 H GLN A 71 -4.761 22.342 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.446 20.377 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.381 22.317 -10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.979 21.984 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.597 23.766 -7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.059 24.139 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.306 26.043 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.677 26.381 -10.606 1.00 0.00 H new ATOM 1153 N GLU A 72 -1.575 22.764 -7.066 1.00 0.00 N ATOM 1154 CA GLU A 72 -0.135 23.107 -6.856 1.00 0.00 C ATOM 1155 C GLU A 72 0.542 22.000 -6.051 1.00 0.00 C ATOM 1156 O GLU A 72 1.660 21.610 -6.328 1.00 0.00 O ATOM 1157 CB GLU A 72 -0.011 24.434 -6.100 1.00 0.00 C ATOM 1158 CG GLU A 72 -0.448 25.584 -7.005 1.00 0.00 C ATOM 1159 CD GLU A 72 -0.296 26.908 -6.255 1.00 0.00 C ATOM 1160 OE1 GLU A 72 0.420 26.928 -5.268 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -0.887 27.884 -6.687 1.00 0.00 O ATOM 0 H GLU A 72 -2.245 23.356 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 72 0.349 23.204 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.628 24.411 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.019 24.584 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.156 25.596 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.484 25.445 -7.313 1.00 0.00 H new ATOM 1168 N PHE A 73 -0.136 21.477 -5.072 1.00 0.00 N ATOM 1169 CA PHE A 73 0.449 20.385 -4.256 1.00 0.00 C ATOM 1170 C PHE A 73 0.677 19.168 -5.143 1.00 0.00 C ATOM 1171 O PHE A 73 1.598 18.406 -4.941 1.00 0.00 O ATOM 1172 CB PHE A 73 -0.508 20.012 -3.126 1.00 0.00 C ATOM 1173 CG PHE A 73 0.072 18.846 -2.366 1.00 0.00 C ATOM 1174 CD1 PHE A 73 -0.217 17.540 -2.776 1.00 0.00 C ATOM 1175 CD2 PHE A 73 0.903 19.067 -1.263 1.00 0.00 C ATOM 1176 CE1 PHE A 73 0.324 16.453 -2.083 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.443 17.980 -0.568 1.00 0.00 C ATOM 1178 CZ PHE A 73 1.153 16.672 -0.979 1.00 0.00 C ATOM 0 H PHE A 73 -1.077 21.762 -4.801 1.00 0.00 H new ATOM 0 HA PHE A 73 1.395 20.719 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.655 20.862 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.486 19.751 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.858 17.371 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.127 20.075 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.102 15.445 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.083 18.149 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.570 15.833 -0.442 1.00 0.00 H new ATOM 1188 N MET A 74 -0.173 18.975 -6.112 1.00 0.00 N ATOM 1189 CA MET A 74 -0.037 17.797 -7.009 1.00 0.00 C ATOM 1190 C MET A 74 1.313 17.825 -7.728 1.00 0.00 C ATOM 1191 O MET A 74 1.948 16.803 -7.928 1.00 0.00 O ATOM 1192 CB MET A 74 -1.173 17.795 -8.054 1.00 0.00 C ATOM 1193 CG MET A 74 -2.495 17.231 -7.456 1.00 0.00 C ATOM 1194 SD MET A 74 -3.069 15.815 -8.443 1.00 0.00 S ATOM 1195 CE MET A 74 -1.575 14.794 -8.320 1.00 0.00 C ATOM 0 H MET A 74 -0.961 19.588 -6.322 1.00 0.00 H new ATOM 0 HA MET A 74 -0.098 16.894 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.339 18.810 -8.415 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.876 17.195 -8.915 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.334 16.923 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.259 18.009 -7.442 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.857 13.743 -8.259 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.952 14.953 -9.200 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.017 15.072 -7.426 1.00 0.00 H new ATOM 1205 N ALA A 75 1.753 18.965 -8.149 1.00 0.00 N ATOM 1206 CA ALA A 75 3.051 19.004 -8.875 1.00 0.00 C ATOM 1207 C ALA A 75 4.204 18.674 -7.921 1.00 0.00 C ATOM 1208 O ALA A 75 5.184 18.065 -8.300 1.00 0.00 O ATOM 1209 CB ALA A 75 3.257 20.388 -9.497 1.00 0.00 C ATOM 0 H ALA A 75 1.284 19.863 -8.028 1.00 0.00 H new ATOM 0 HA ALA A 75 3.035 18.257 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.209 20.411 -10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.447 20.597 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.262 21.143 -8.711 1.00 0.00 H new ATOM 1215 N PHE A 76 4.090 19.072 -6.694 1.00 0.00 N ATOM 1216 CA PHE A 76 5.168 18.795 -5.699 1.00 0.00 C ATOM 1217 C PHE A 76 5.373 17.290 -5.563 1.00 0.00 C ATOM 1218 O PHE A 76 6.477 16.812 -5.444 1.00 0.00 O ATOM 1219 CB PHE A 76 4.748 19.401 -4.356 1.00 0.00 C ATOM 1220 CG PHE A 76 5.800 19.156 -3.304 1.00 0.00 C ATOM 1221 CD1 PHE A 76 6.846 20.071 -3.146 1.00 0.00 C ATOM 1222 CD2 PHE A 76 5.716 18.036 -2.469 1.00 0.00 C ATOM 1223 CE1 PHE A 76 7.813 19.866 -2.156 1.00 0.00 C ATOM 1224 CE2 PHE A 76 6.685 17.829 -1.479 1.00 0.00 C ATOM 1225 CZ PHE A 76 7.734 18.745 -1.323 1.00 0.00 C ATOM 0 H PHE A 76 3.288 19.585 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 76 6.109 19.238 -6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.585 20.473 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.800 18.967 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.907 20.937 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.905 17.332 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.620 20.573 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.624 16.963 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.481 18.585 -0.560 1.00 0.00 H new ATOM 1235 N VAL A 77 4.311 16.554 -5.567 1.00 0.00 N ATOM 1236 CA VAL A 77 4.399 15.068 -5.423 1.00 0.00 C ATOM 1237 C VAL A 77 5.223 14.476 -6.559 1.00 0.00 C ATOM 1238 O VAL A 77 5.975 13.548 -6.366 1.00 0.00 O ATOM 1239 CB VAL A 77 2.982 14.458 -5.459 1.00 0.00 C ATOM 1240 CG1 VAL A 77 2.909 13.202 -4.586 1.00 0.00 C ATOM 1241 CG2 VAL A 77 1.979 15.488 -4.959 1.00 0.00 C ATOM 0 H VAL A 77 3.363 16.916 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 77 4.878 14.838 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 77 2.746 14.178 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.901 12.789 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.620 12.462 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.154 13.460 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.976 15.061 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.228 15.772 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.013 16.370 -5.599 1.00 0.00 H new ATOM 1251 N SER A 78 5.069 14.980 -7.743 1.00 0.00 N ATOM 1252 CA SER A 78 5.841 14.403 -8.878 1.00 0.00 C ATOM 1253 C SER A 78 7.329 14.664 -8.682 1.00 0.00 C ATOM 1254 O SER A 78 8.159 13.842 -9.008 1.00 0.00 O ATOM 1255 CB SER A 78 5.395 15.021 -10.201 1.00 0.00 C ATOM 1256 OG SER A 78 6.432 14.863 -11.160 1.00 0.00 O ATOM 0 H SER A 78 4.451 15.757 -7.978 1.00 0.00 H new ATOM 0 HA SER A 78 5.656 13.329 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.482 14.540 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.167 16.078 -10.064 1.00 0.00 H new ATOM 0 HG SER A 78 6.842 15.734 -11.345 1.00 0.00 H new ATOM 1262 N MET A 79 7.674 15.817 -8.190 1.00 0.00 N ATOM 1263 CA MET A 79 9.113 16.146 -8.014 1.00 0.00 C ATOM 1264 C MET A 79 9.757 15.280 -6.935 1.00 0.00 C ATOM 1265 O MET A 79 10.878 14.829 -7.080 1.00 0.00 O ATOM 1266 CB MET A 79 9.233 17.621 -7.624 1.00 0.00 C ATOM 1267 CG MET A 79 8.864 18.507 -8.821 1.00 0.00 C ATOM 1268 SD MET A 79 8.384 20.150 -8.230 1.00 0.00 S ATOM 1269 CE MET A 79 9.780 20.414 -7.114 1.00 0.00 C ATOM 0 H MET A 79 7.022 16.547 -7.902 1.00 0.00 H new ATOM 0 HA MET A 79 9.633 15.951 -8.952 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.575 17.839 -6.782 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.250 17.839 -7.298 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.711 18.587 -9.503 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.045 18.057 -9.382 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.876 21.478 -6.897 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.612 19.868 -6.185 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.695 20.055 -7.585 1.00 0.00 H new ATOM 1279 N VAL A 80 9.079 15.040 -5.856 1.00 0.00 N ATOM 1280 CA VAL A 80 9.702 14.199 -4.795 1.00 0.00 C ATOM 1281 C VAL A 80 9.800 12.756 -5.279 1.00 0.00 C ATOM 1282 O VAL A 80 10.762 12.063 -5.020 1.00 0.00 O ATOM 1283 CB VAL A 80 8.880 14.237 -3.510 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.675 13.548 -2.402 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.605 15.683 -3.106 1.00 0.00 C ATOM 0 H VAL A 80 8.138 15.380 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 80 10.695 14.596 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 80 7.930 13.727 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.100 13.567 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.873 12.514 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.620 14.071 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.018 15.699 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.550 16.201 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.051 16.183 -3.900 1.00 0.00 H new ATOM 1295 N THR A 81 8.800 12.300 -5.971 1.00 0.00 N ATOM 1296 CA THR A 81 8.812 10.897 -6.468 1.00 0.00 C ATOM 1297 C THR A 81 10.014 10.714 -7.378 1.00 0.00 C ATOM 1298 O THR A 81 10.680 9.703 -7.357 1.00 0.00 O ATOM 1299 CB THR A 81 7.535 10.598 -7.244 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.413 10.778 -6.396 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.577 9.150 -7.739 1.00 0.00 C ATOM 0 H THR A 81 7.970 12.839 -6.216 1.00 0.00 H new ATOM 0 HA THR A 81 8.872 10.213 -5.621 1.00 0.00 H new ATOM 0 HB THR A 81 7.455 11.274 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.209 11.734 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.666 8.929 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.441 9.013 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.654 8.476 -6.886 1.00 0.00 H new ATOM 1309 N THR A 82 10.291 11.697 -8.180 1.00 0.00 N ATOM 1310 CA THR A 82 11.448 11.610 -9.103 1.00 0.00 C ATOM 1311 C THR A 82 12.679 11.274 -8.264 1.00 0.00 C ATOM 1312 O THR A 82 13.525 10.488 -8.653 1.00 0.00 O ATOM 1313 CB THR A 82 11.611 12.968 -9.798 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.333 13.431 -10.211 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.505 12.832 -11.028 1.00 0.00 C ATOM 0 H THR A 82 9.760 12.566 -8.236 1.00 0.00 H new ATOM 0 HA THR A 82 11.308 10.843 -9.865 1.00 0.00 H new ATOM 0 HB THR A 82 12.067 13.671 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.766 12.665 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.611 13.804 -11.510 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.487 12.468 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.056 12.127 -11.728 1.00 0.00 H new ATOM 1323 N ALA A 83 12.758 11.835 -7.091 1.00 0.00 N ATOM 1324 CA ALA A 83 13.897 11.525 -6.192 1.00 0.00 C ATOM 1325 C ALA A 83 13.798 10.053 -5.769 1.00 0.00 C ATOM 1326 O ALA A 83 14.787 9.371 -5.612 1.00 0.00 O ATOM 1327 CB ALA A 83 13.831 12.427 -4.955 1.00 0.00 C ATOM 0 H ALA A 83 12.079 12.497 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 83 14.842 11.699 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.667 12.200 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.885 13.471 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.894 12.252 -4.427 1.00 0.00 H new ATOM 1333 N CYS A 84 12.597 9.570 -5.581 1.00 0.00 N ATOM 1334 CA CYS A 84 12.403 8.152 -5.155 1.00 0.00 C ATOM 1335 C CYS A 84 13.004 7.208 -6.201 1.00 0.00 C ATOM 1336 O CYS A 84 13.594 6.199 -5.868 1.00 0.00 O ATOM 1337 CB CYS A 84 10.907 7.865 -5.009 1.00 0.00 C ATOM 1338 SG CYS A 84 10.678 6.290 -4.147 1.00 0.00 S ATOM 0 H CYS A 84 11.736 10.102 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 84 12.902 7.992 -4.199 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.424 8.669 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.435 7.827 -5.991 1.00 0.00 H new ATOM 0 HG CYS A 84 9.408 6.045 -4.020 1.00 0.00 H new ATOM 1344 N HIS A 85 12.873 7.523 -7.461 1.00 0.00 N ATOM 1345 CA HIS A 85 13.459 6.637 -8.503 1.00 0.00 C ATOM 1346 C HIS A 85 14.960 6.554 -8.272 1.00 0.00 C ATOM 1347 O HIS A 85 15.562 5.506 -8.392 1.00 0.00 O ATOM 1348 CB HIS A 85 13.194 7.214 -9.894 1.00 0.00 C ATOM 1349 CG HIS A 85 13.797 6.305 -10.930 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.635 6.781 -11.929 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.711 4.949 -11.128 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.016 5.727 -12.675 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.481 4.591 -12.227 1.00 0.00 N ATOM 0 H HIS A 85 12.389 8.350 -7.811 1.00 0.00 H new ATOM 0 HA HIS A 85 13.007 5.647 -8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.122 7.314 -10.061 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.624 8.212 -9.975 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.912 7.752 -12.072 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.134 4.266 -10.522 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.673 5.793 -13.530 1.00 0.00 H new ATOM 1362 N GLU A 86 15.569 7.650 -7.926 1.00 0.00 N ATOM 1363 CA GLU A 86 17.031 7.630 -7.672 1.00 0.00 C ATOM 1364 C GLU A 86 17.316 6.650 -6.531 1.00 0.00 C ATOM 1365 O GLU A 86 18.292 5.927 -6.548 1.00 0.00 O ATOM 1366 CB GLU A 86 17.505 9.033 -7.287 1.00 0.00 C ATOM 1367 CG GLU A 86 19.025 9.028 -7.114 1.00 0.00 C ATOM 1368 CD GLU A 86 19.502 10.435 -6.751 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.699 11.350 -6.832 1.00 0.00 O ATOM 1370 OE2 GLU A 86 20.662 10.575 -6.400 1.00 0.00 O ATOM 0 H GLU A 86 15.118 8.557 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 86 17.563 7.315 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.218 9.749 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.024 9.350 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.310 8.323 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.505 8.696 -8.034 1.00 0.00 H new ATOM 1377 N PHE A 87 16.465 6.619 -5.539 1.00 0.00 N ATOM 1378 CA PHE A 87 16.677 5.683 -4.397 1.00 0.00 C ATOM 1379 C PHE A 87 16.155 4.299 -4.785 1.00 0.00 C ATOM 1380 O PHE A 87 16.594 3.292 -4.265 1.00 0.00 O ATOM 1381 CB PHE A 87 15.922 6.192 -3.158 1.00 0.00 C ATOM 1382 CG PHE A 87 16.715 7.292 -2.485 1.00 0.00 C ATOM 1383 CD1 PHE A 87 16.844 8.539 -3.105 1.00 0.00 C ATOM 1384 CD2 PHE A 87 17.321 7.064 -1.241 1.00 0.00 C ATOM 1385 CE1 PHE A 87 17.576 9.559 -2.484 1.00 0.00 C ATOM 1386 CE2 PHE A 87 18.051 8.084 -0.620 1.00 0.00 C ATOM 1387 CZ PHE A 87 18.179 9.331 -1.242 1.00 0.00 C ATOM 0 H PHE A 87 15.631 7.203 -5.471 1.00 0.00 H new ATOM 0 HA PHE A 87 17.740 5.625 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 87 14.940 6.566 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.757 5.371 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.379 8.716 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 87 17.224 6.101 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.675 10.522 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 87 18.515 7.909 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 87 18.743 10.118 -0.763 1.00 0.00 H new ATOM 1397 N PHE A 88 15.225 4.237 -5.706 1.00 0.00 N ATOM 1398 CA PHE A 88 14.687 2.917 -6.134 1.00 0.00 C ATOM 1399 C PHE A 88 15.544 2.417 -7.295 1.00 0.00 C ATOM 1400 O PHE A 88 15.097 2.285 -8.417 1.00 0.00 O ATOM 1401 CB PHE A 88 13.216 3.074 -6.574 1.00 0.00 C ATOM 1402 CG PHE A 88 12.459 1.781 -6.334 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.738 0.650 -7.112 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.480 1.714 -5.333 1.00 0.00 C ATOM 1405 CE1 PHE A 88 12.042 -0.544 -6.889 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.784 0.519 -5.111 1.00 0.00 C ATOM 1407 CZ PHE A 88 11.066 -0.609 -5.889 1.00 0.00 C ATOM 0 H PHE A 88 14.818 5.045 -6.177 1.00 0.00 H new ATOM 0 HA PHE A 88 14.720 2.201 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.747 3.887 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.171 3.340 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.491 0.699 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.262 2.585 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.259 -1.415 -7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.030 0.468 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.530 -1.531 -5.717 1.00 0.00 H new ATOM 1464 N MET B 0 -3.931 7.295 4.164 1.00 0.00 N ATOM 1465 CA MET B 0 -3.241 7.315 5.484 1.00 0.00 C ATOM 1466 C MET B 0 -1.737 7.118 5.272 1.00 0.00 C ATOM 1467 O MET B 0 -1.197 6.062 5.531 1.00 0.00 O ATOM 1468 CB MET B 0 -3.787 6.187 6.364 1.00 0.00 C ATOM 1469 CG MET B 0 -5.228 6.507 6.772 1.00 0.00 C ATOM 1470 SD MET B 0 -5.868 5.169 7.813 1.00 0.00 S ATOM 1471 CE MET B 0 -7.525 5.848 8.068 1.00 0.00 C ATOM 0 H1 MET B 0 -4.839 7.797 4.239 1.00 0.00 H new ATOM 0 H2 MET B 0 -3.334 7.764 3.453 1.00 0.00 H new ATOM 0 H3 MET B 0 -4.103 6.310 3.877 1.00 0.00 H new ATOM 0 HA MET B 0 -3.418 8.272 5.974 1.00 0.00 H new ATOM 0 HB2 MET B 0 -3.753 5.241 5.823 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.164 6.070 7.251 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.263 7.453 7.313 1.00 0.00 H new ATOM 0 HG3 MET B 0 -5.852 6.623 5.886 1.00 0.00 H new ATOM 0 HE1 MET B 0 -8.103 5.170 8.696 1.00 0.00 H new ATOM 0 HE2 MET B 0 -7.449 6.819 8.557 1.00 0.00 H new ATOM 0 HE3 MET B 0 -8.023 5.964 7.105 1.00 0.00 H new ATOM 1483 N SER B 1 -1.062 8.130 4.795 1.00 0.00 N ATOM 1484 CA SER B 1 0.410 8.014 4.556 1.00 0.00 C ATOM 1485 C SER B 1 0.686 6.895 3.548 1.00 0.00 C ATOM 1486 O SER B 1 1.736 6.285 3.548 1.00 0.00 O ATOM 1487 CB SER B 1 1.129 7.707 5.872 1.00 0.00 C ATOM 1488 OG SER B 1 0.584 8.520 6.902 1.00 0.00 O ATOM 0 H SER B 1 -1.467 9.036 4.559 1.00 0.00 H new ATOM 0 HA SER B 1 0.780 8.958 4.156 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.015 6.653 6.125 1.00 0.00 H new ATOM 0 HB3 SER B 1 2.197 7.896 5.769 1.00 0.00 H new ATOM 0 HG SER B 1 1.040 8.326 7.748 1.00 0.00 H new ATOM 1494 N GLU B 2 -0.250 6.638 2.683 1.00 0.00 N ATOM 1495 CA GLU B 2 -0.067 5.577 1.652 1.00 0.00 C ATOM 1496 C GLU B 2 0.867 6.099 0.561 1.00 0.00 C ATOM 1497 O GLU B 2 1.290 5.376 -0.315 1.00 0.00 O ATOM 1498 CB GLU B 2 -1.430 5.236 1.051 1.00 0.00 C ATOM 1499 CG GLU B 2 -2.305 4.619 2.138 1.00 0.00 C ATOM 1500 CD GLU B 2 -3.679 4.268 1.560 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.950 4.676 0.443 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.437 3.601 2.245 1.00 0.00 O ATOM 0 H GLU B 2 -1.147 7.123 2.644 1.00 0.00 H new ATOM 0 HA GLU B 2 0.367 4.683 2.100 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.902 6.134 0.651 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -1.313 4.540 0.220 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -1.828 3.723 2.537 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.417 5.317 2.968 1.00 0.00 H new ATOM 1509 N LEU B 3 1.165 7.361 0.603 1.00 0.00 N ATOM 1510 CA LEU B 3 2.039 7.969 -0.434 1.00 0.00 C ATOM 1511 C LEU B 3 3.272 7.095 -0.681 1.00 0.00 C ATOM 1512 O LEU B 3 3.917 7.204 -1.700 1.00 0.00 O ATOM 1513 CB LEU B 3 2.474 9.358 0.052 1.00 0.00 C ATOM 1514 CG LEU B 3 3.278 10.089 -1.029 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.389 10.371 -2.254 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.795 11.410 -0.448 1.00 0.00 C ATOM 0 H LEU B 3 0.837 8.008 1.320 1.00 0.00 H new ATOM 0 HA LEU B 3 1.489 8.051 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.596 9.946 0.318 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.077 9.259 0.955 1.00 0.00 H new ATOM 0 HG LEU B 3 4.115 9.467 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.972 10.891 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.020 9.429 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.545 10.993 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.369 11.941 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.951 12.025 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.433 11.205 0.412 1.00 0.00 H new ATOM 1528 N GLU B 4 3.613 6.233 0.229 1.00 0.00 N ATOM 1529 CA GLU B 4 4.814 5.372 0.005 1.00 0.00 C ATOM 1530 C GLU B 4 4.537 4.353 -1.100 1.00 0.00 C ATOM 1531 O GLU B 4 5.390 4.063 -1.916 1.00 0.00 O ATOM 1532 CB GLU B 4 5.170 4.631 1.297 1.00 0.00 C ATOM 1533 CG GLU B 4 5.714 5.618 2.333 1.00 0.00 C ATOM 1534 CD GLU B 4 5.892 4.904 3.675 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.598 3.722 3.738 1.00 0.00 O ATOM 1536 OE2 GLU B 4 6.317 5.553 4.617 1.00 0.00 O ATOM 0 H GLU B 4 3.122 6.084 1.111 1.00 0.00 H new ATOM 0 HA GLU B 4 5.647 6.008 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.288 4.126 1.691 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.913 3.860 1.091 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.667 6.026 1.997 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.029 6.459 2.444 1.00 0.00 H new ATOM 1543 N LYS B 5 3.363 3.791 -1.126 1.00 0.00 N ATOM 1544 CA LYS B 5 3.049 2.774 -2.171 1.00 0.00 C ATOM 1545 C LYS B 5 2.683 3.468 -3.484 1.00 0.00 C ATOM 1546 O LYS B 5 2.928 2.954 -4.553 1.00 0.00 O ATOM 1547 CB LYS B 5 1.890 1.886 -1.686 1.00 0.00 C ATOM 1548 CG LYS B 5 0.540 2.577 -1.932 1.00 0.00 C ATOM 1549 CD LYS B 5 -0.569 1.883 -1.129 1.00 0.00 C ATOM 1550 CE LYS B 5 -0.317 2.031 0.385 1.00 0.00 C ATOM 1551 NZ LYS B 5 0.380 0.814 0.891 1.00 0.00 N ATOM 0 H LYS B 5 2.607 3.990 -0.471 1.00 0.00 H new ATOM 0 HA LYS B 5 3.924 2.149 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.915 0.929 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.008 1.673 -0.623 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.604 3.627 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.299 2.551 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.536 2.315 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.611 0.827 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS B 5 0.287 2.917 0.580 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.262 2.168 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -0.274 0.258 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 0.699 0.237 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 1.202 1.097 1.462 1.00 0.00 H new ATOM 1565 N ALA B 6 2.076 4.618 -3.409 1.00 0.00 N ATOM 1566 CA ALA B 6 1.676 5.325 -4.656 1.00 0.00 C ATOM 1567 C ALA B 6 2.902 5.837 -5.402 1.00 0.00 C ATOM 1568 O ALA B 6 2.958 5.783 -6.609 1.00 0.00 O ATOM 1569 CB ALA B 6 0.747 6.492 -4.317 1.00 0.00 C ATOM 0 H ALA B 6 1.840 5.098 -2.541 1.00 0.00 H new ATOM 0 HA ALA B 6 1.150 4.620 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.458 7.005 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.144 6.114 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.265 7.190 -3.659 1.00 0.00 H new ATOM 1575 N MET B 7 3.878 6.342 -4.709 1.00 0.00 N ATOM 1576 CA MET B 7 5.085 6.851 -5.414 1.00 0.00 C ATOM 1577 C MET B 7 5.851 5.695 -6.034 1.00 0.00 C ATOM 1578 O MET B 7 6.368 5.796 -7.128 1.00 0.00 O ATOM 1579 CB MET B 7 6.011 7.581 -4.436 1.00 0.00 C ATOM 1580 CG MET B 7 5.396 8.912 -4.017 1.00 0.00 C ATOM 1581 SD MET B 7 6.561 9.776 -2.929 1.00 0.00 S ATOM 1582 CE MET B 7 6.082 11.469 -3.355 1.00 0.00 C ATOM 0 H MET B 7 3.895 6.425 -3.693 1.00 0.00 H new ATOM 0 HA MET B 7 4.757 7.542 -6.191 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.185 6.960 -3.557 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.981 7.752 -4.902 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.177 9.520 -4.895 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.450 8.745 -3.501 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.178 12.106 -2.476 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.731 11.842 -4.147 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.048 11.479 -3.699 1.00 0.00 H new ATOM 1592 N VAL B 8 5.945 4.605 -5.343 1.00 0.00 N ATOM 1593 CA VAL B 8 6.704 3.453 -5.905 1.00 0.00 C ATOM 1594 C VAL B 8 5.996 2.925 -7.156 1.00 0.00 C ATOM 1595 O VAL B 8 6.622 2.537 -8.121 1.00 0.00 O ATOM 1596 CB VAL B 8 6.817 2.340 -4.860 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.388 1.077 -5.518 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.748 2.794 -3.731 1.00 0.00 C ATOM 0 H VAL B 8 5.536 4.455 -4.421 1.00 0.00 H new ATOM 0 HA VAL B 8 7.706 3.786 -6.176 1.00 0.00 H new ATOM 0 HB VAL B 8 5.830 2.122 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.469 0.284 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.726 0.755 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.375 1.294 -5.926 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.829 2.002 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.735 3.012 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.343 3.692 -3.264 1.00 0.00 H new ATOM 1608 N ALA B 9 4.697 2.875 -7.124 1.00 0.00 N ATOM 1609 CA ALA B 9 3.924 2.337 -8.284 1.00 0.00 C ATOM 1610 C ALA B 9 3.999 3.288 -9.475 1.00 0.00 C ATOM 1611 O ALA B 9 4.027 2.868 -10.613 1.00 0.00 O ATOM 1612 CB ALA B 9 2.465 2.159 -7.874 1.00 0.00 C ATOM 0 H ALA B 9 4.127 3.186 -6.337 1.00 0.00 H new ATOM 0 HA ALA B 9 4.355 1.379 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.896 1.767 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.404 1.461 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.051 3.122 -7.574 1.00 0.00 H new ATOM 1618 N LEU B 10 4.013 4.560 -9.228 1.00 0.00 N ATOM 1619 CA LEU B 10 4.067 5.526 -10.351 1.00 0.00 C ATOM 1620 C LEU B 10 5.348 5.261 -11.140 1.00 0.00 C ATOM 1621 O LEU B 10 5.375 5.291 -12.355 1.00 0.00 O ATOM 1622 CB LEU B 10 4.077 6.956 -9.771 1.00 0.00 C ATOM 1623 CG LEU B 10 3.319 7.925 -10.706 1.00 0.00 C ATOM 1624 CD1 LEU B 10 1.835 7.972 -10.314 1.00 0.00 C ATOM 1625 CD2 LEU B 10 3.922 9.331 -10.594 1.00 0.00 C ATOM 0 H LEU B 10 3.989 4.975 -8.296 1.00 0.00 H new ATOM 0 HA LEU B 10 3.205 5.418 -11.009 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.615 6.958 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.105 7.295 -9.642 1.00 0.00 H new ATOM 0 HG LEU B 10 3.410 7.573 -11.733 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.305 8.657 -10.976 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.404 6.975 -10.402 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.741 8.318 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.385 10.011 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.838 9.682 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.973 9.300 -10.882 1.00 0.00 H new ATOM 1637 N ILE B 11 6.401 4.988 -10.437 1.00 0.00 N ATOM 1638 CA ILE B 11 7.699 4.698 -11.090 1.00 0.00 C ATOM 1639 C ILE B 11 7.642 3.341 -11.813 1.00 0.00 C ATOM 1640 O ILE B 11 8.225 3.172 -12.865 1.00 0.00 O ATOM 1641 CB ILE B 11 8.798 4.710 -10.021 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.005 6.154 -9.542 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.103 4.167 -10.595 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.913 6.185 -8.306 1.00 0.00 C ATOM 0 H ILE B 11 6.419 4.953 -9.418 1.00 0.00 H new ATOM 0 HA ILE B 11 7.919 5.459 -11.839 1.00 0.00 H new ATOM 0 HB ILE B 11 8.498 4.077 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.448 6.748 -10.341 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.042 6.606 -9.305 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.874 4.182 -9.824 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.952 3.143 -10.937 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.417 4.787 -11.434 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.049 7.216 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.454 5.608 -7.503 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.882 5.753 -8.555 1.00 0.00 H new ATOM 1656 N ASP B 12 6.970 2.365 -11.250 1.00 0.00 N ATOM 1657 CA ASP B 12 6.914 1.017 -11.904 1.00 0.00 C ATOM 1658 C ASP B 12 6.282 1.109 -13.300 1.00 0.00 C ATOM 1659 O ASP B 12 6.784 0.544 -14.251 1.00 0.00 O ATOM 1660 CB ASP B 12 6.069 0.075 -11.040 1.00 0.00 C ATOM 1661 CG ASP B 12 6.076 -1.334 -11.643 1.00 0.00 C ATOM 1662 OD1 ASP B 12 6.319 -1.451 -12.832 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.840 -2.273 -10.901 1.00 0.00 O ATOM 0 H ASP B 12 6.460 2.442 -10.370 1.00 0.00 H new ATOM 0 HA ASP B 12 7.931 0.639 -12.004 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.464 0.047 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.046 0.447 -10.975 1.00 0.00 H new ATOM 1668 N VAL B 13 5.186 1.803 -13.432 1.00 0.00 N ATOM 1669 CA VAL B 13 4.529 1.911 -14.770 1.00 0.00 C ATOM 1670 C VAL B 13 5.500 2.584 -15.744 1.00 0.00 C ATOM 1671 O VAL B 13 5.614 2.203 -16.896 1.00 0.00 O ATOM 1672 CB VAL B 13 3.192 2.706 -14.622 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.191 4.001 -15.452 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.010 1.839 -15.078 1.00 0.00 C ATOM 0 H VAL B 13 4.716 2.300 -12.675 1.00 0.00 H new ATOM 0 HA VAL B 13 4.284 0.926 -15.168 1.00 0.00 H new ATOM 0 HB VAL B 13 3.096 2.968 -13.568 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.241 4.519 -15.317 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.006 4.645 -15.122 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.325 3.758 -16.506 1.00 0.00 H new ATOM 0 HG21 VAL B 13 1.083 2.402 -14.971 1.00 0.00 H new ATOM 0 HG22 VAL B 13 2.146 1.559 -16.123 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.961 0.939 -14.465 1.00 0.00 H new ATOM 1684 N PHE B 14 6.204 3.572 -15.284 1.00 0.00 N ATOM 1685 CA PHE B 14 7.166 4.266 -16.169 1.00 0.00 C ATOM 1686 C PHE B 14 8.155 3.242 -16.715 1.00 0.00 C ATOM 1687 O PHE B 14 8.528 3.290 -17.861 1.00 0.00 O ATOM 1688 CB PHE B 14 7.913 5.335 -15.364 1.00 0.00 C ATOM 1689 CG PHE B 14 9.023 5.920 -16.203 1.00 0.00 C ATOM 1690 CD1 PHE B 14 10.292 5.329 -16.189 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.787 7.048 -16.994 1.00 0.00 C ATOM 1692 CE1 PHE B 14 11.321 5.865 -16.966 1.00 0.00 C ATOM 1693 CE2 PHE B 14 9.816 7.584 -17.771 1.00 0.00 C ATOM 1694 CZ PHE B 14 11.084 6.991 -17.758 1.00 0.00 C ATOM 0 H PHE B 14 6.154 3.929 -14.330 1.00 0.00 H new ATOM 0 HA PHE B 14 6.641 4.745 -16.996 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.223 6.121 -15.057 1.00 0.00 H new ATOM 0 HB3 PHE B 14 8.324 4.898 -14.454 1.00 0.00 H new ATOM 0 HD1 PHE B 14 10.475 4.458 -15.577 1.00 0.00 H new ATOM 0 HD2 PHE B 14 7.809 7.505 -17.004 1.00 0.00 H new ATOM 0 HE1 PHE B 14 12.300 5.409 -16.955 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.634 8.456 -18.382 1.00 0.00 H new ATOM 0 HZ PHE B 14 11.879 7.404 -18.361 1.00 0.00 H new ATOM 1704 N HIS B 15 8.584 2.318 -15.907 1.00 0.00 N ATOM 1705 CA HIS B 15 9.545 1.294 -16.401 1.00 0.00 C ATOM 1706 C HIS B 15 8.852 0.343 -17.383 1.00 0.00 C ATOM 1707 O HIS B 15 9.496 -0.280 -18.202 1.00 0.00 O ATOM 1708 CB HIS B 15 10.100 0.489 -15.223 1.00 0.00 C ATOM 1709 CG HIS B 15 11.016 1.350 -14.395 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.053 1.267 -13.010 1.00 0.00 N ATOM 1711 CD2 HIS B 15 11.946 2.304 -14.737 1.00 0.00 C ATOM 1712 CE1 HIS B 15 11.974 2.146 -12.575 1.00 0.00 C ATOM 1713 NE2 HIS B 15 12.543 2.801 -13.586 1.00 0.00 N ATOM 0 H HIS B 15 8.313 2.226 -14.928 1.00 0.00 H new ATOM 0 HA HIS B 15 10.362 1.803 -16.913 1.00 0.00 H new ATOM 0 HB2 HIS B 15 9.280 0.119 -14.607 1.00 0.00 H new ATOM 0 HB3 HIS B 15 10.641 -0.383 -15.591 1.00 0.00 H new ATOM 0 HD2 HIS B 15 12.176 2.618 -15.744 1.00 0.00 H new ATOM 0 HE1 HIS B 15 12.221 2.301 -11.535 1.00 0.00 H new ATOM 0 HE2 HIS B 15 13.266 3.518 -13.527 1.00 0.00 H new ATOM 1722 N GLN B 16 7.555 0.203 -17.309 1.00 0.00 N ATOM 1723 CA GLN B 16 6.866 -0.726 -18.247 1.00 0.00 C ATOM 1724 C GLN B 16 7.112 -0.281 -19.699 1.00 0.00 C ATOM 1725 O GLN B 16 7.379 -1.092 -20.563 1.00 0.00 O ATOM 1726 CB GLN B 16 5.363 -0.721 -17.937 1.00 0.00 C ATOM 1727 CG GLN B 16 4.619 -1.686 -18.866 1.00 0.00 C ATOM 1728 CD GLN B 16 5.111 -3.115 -18.628 1.00 0.00 C ATOM 1729 OE1 GLN B 16 4.485 -3.873 -17.770 1.00 0.00 O flip ATOM 1730 NE2 GLN B 16 6.074 -3.546 -19.230 1.00 0.00 N flip ATOM 0 H GLN B 16 6.949 0.687 -16.646 1.00 0.00 H new ATOM 0 HA GLN B 16 7.259 -1.735 -18.124 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.199 -1.008 -16.898 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.965 0.287 -18.056 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.546 -1.626 -18.684 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.783 -1.403 -19.906 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.563 -2.953 -19.901 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.393 -4.501 -19.065 1.00 0.00 H new ATOM 1739 N TYR B 17 7.007 0.997 -19.983 1.00 0.00 N ATOM 1740 CA TYR B 17 7.220 1.475 -21.396 1.00 0.00 C ATOM 1741 C TYR B 17 8.682 1.863 -21.652 1.00 0.00 C ATOM 1742 O TYR B 17 9.196 1.692 -22.740 1.00 0.00 O ATOM 1743 CB TYR B 17 6.337 2.696 -21.642 1.00 0.00 C ATOM 1744 CG TYR B 17 4.908 2.246 -21.764 1.00 0.00 C ATOM 1745 CD1 TYR B 17 4.195 1.895 -20.618 1.00 0.00 C ATOM 1746 CD2 TYR B 17 4.304 2.168 -23.021 1.00 0.00 C ATOM 1747 CE1 TYR B 17 2.872 1.465 -20.724 1.00 0.00 C ATOM 1748 CE2 TYR B 17 2.981 1.741 -23.131 1.00 0.00 C ATOM 1749 CZ TYR B 17 2.261 1.387 -21.983 1.00 0.00 C ATOM 1750 OH TYR B 17 0.953 0.959 -22.092 1.00 0.00 O ATOM 0 H TYR B 17 6.785 1.727 -19.306 1.00 0.00 H new ATOM 0 HA TYR B 17 6.961 0.660 -22.072 1.00 0.00 H new ATOM 0 HB2 TYR B 17 6.440 3.407 -20.822 1.00 0.00 H new ATOM 0 HB3 TYR B 17 6.649 3.210 -22.551 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.667 1.956 -19.649 1.00 0.00 H new ATOM 0 HD2 TYR B 17 4.861 2.438 -23.906 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.319 1.193 -19.837 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.511 1.683 -24.102 1.00 0.00 H new ATOM 0 HH TYR B 17 0.679 0.528 -21.255 1.00 0.00 H new ATOM 1760 N SER B 18 9.343 2.410 -20.677 1.00 0.00 N ATOM 1761 CA SER B 18 10.756 2.840 -20.877 1.00 0.00 C ATOM 1762 C SER B 18 11.614 1.636 -21.263 1.00 0.00 C ATOM 1763 O SER B 18 12.491 1.730 -22.098 1.00 0.00 O ATOM 1764 CB SER B 18 11.289 3.448 -19.579 1.00 0.00 C ATOM 1765 OG SER B 18 11.766 2.407 -18.737 1.00 0.00 O ATOM 0 H SER B 18 8.967 2.580 -19.744 1.00 0.00 H new ATOM 0 HA SER B 18 10.797 3.582 -21.675 1.00 0.00 H new ATOM 0 HB2 SER B 18 12.092 4.153 -19.796 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.501 4.008 -19.075 1.00 0.00 H new ATOM 0 HG SER B 18 12.718 2.547 -18.552 1.00 0.00 H new ATOM 1771 N GLY B 19 11.377 0.508 -20.659 1.00 0.00 N ATOM 1772 CA GLY B 19 12.186 -0.698 -20.986 1.00 0.00 C ATOM 1773 C GLY B 19 11.726 -1.298 -22.317 1.00 0.00 C ATOM 1774 O GLY B 19 12.356 -2.185 -22.856 1.00 0.00 O ATOM 0 H GLY B 19 10.656 0.368 -19.951 1.00 0.00 H new ATOM 0 HA2 GLY B 19 13.241 -0.432 -21.044 1.00 0.00 H new ATOM 0 HA3 GLY B 19 12.087 -1.438 -20.192 1.00 0.00 H new ATOM 1778 N ARG B 20 10.636 -0.823 -22.854 1.00 0.00 N ATOM 1779 CA ARG B 20 10.146 -1.374 -24.151 1.00 0.00 C ATOM 1780 C ARG B 20 11.216 -1.164 -25.227 1.00 0.00 C ATOM 1781 O ARG B 20 11.527 -2.061 -25.986 1.00 0.00 O ATOM 1782 CB ARG B 20 8.876 -0.630 -24.558 1.00 0.00 C ATOM 1783 CG ARG B 20 8.309 -1.229 -25.848 1.00 0.00 C ATOM 1784 CD ARG B 20 7.052 -0.455 -26.239 1.00 0.00 C ATOM 1785 NE ARG B 20 6.330 -1.156 -27.356 1.00 0.00 N ATOM 1786 CZ ARG B 20 6.914 -1.433 -28.495 1.00 0.00 C ATOM 1787 NH1 ARG B 20 8.100 -0.966 -28.768 1.00 0.00 N ATOM 1788 NH2 ARG B 20 6.278 -2.136 -29.392 1.00 0.00 N ATOM 0 H ARG B 20 10.064 -0.079 -22.453 1.00 0.00 H new ATOM 0 HA ARG B 20 9.937 -2.438 -24.044 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.135 -0.695 -23.761 1.00 0.00 H new ATOM 0 HB3 ARG B 20 9.095 0.428 -24.704 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.049 -1.175 -26.646 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.073 -2.283 -25.703 1.00 0.00 H new ATOM 0 HD2 ARG B 20 6.393 -0.359 -25.376 1.00 0.00 H new ATOM 0 HD3 ARG B 20 7.321 0.555 -26.549 1.00 0.00 H new ATOM 0 HE ARG B 20 5.355 -1.424 -27.223 1.00 0.00 H new ATOM 0 HH11 ARG B 20 8.585 -0.377 -28.091 1.00 0.00 H new ATOM 0 HH12 ARG B 20 8.543 -1.190 -29.659 1.00 0.00 H new ATOM 0 HH21 ARG B 20 5.331 -2.466 -29.204 1.00 0.00 H new ATOM 0 HH22 ARG B 20 6.727 -2.355 -30.281 1.00 0.00 H new ATOM 1802 N GLU B 21 11.774 0.022 -25.298 1.00 0.00 N ATOM 1803 CA GLU B 21 12.827 0.321 -26.328 1.00 0.00 C ATOM 1804 C GLU B 21 14.163 0.605 -25.631 1.00 0.00 C ATOM 1805 O GLU B 21 14.239 0.713 -24.424 1.00 0.00 O ATOM 1806 CB GLU B 21 12.416 1.548 -27.144 1.00 0.00 C ATOM 1807 CG GLU B 21 11.216 1.200 -28.026 1.00 0.00 C ATOM 1808 CD GLU B 21 10.770 2.443 -28.800 1.00 0.00 C ATOM 1809 OE1 GLU B 21 11.456 3.448 -28.714 1.00 0.00 O ATOM 1810 OE2 GLU B 21 9.747 2.370 -29.462 1.00 0.00 O ATOM 0 H GLU B 21 11.545 0.803 -24.683 1.00 0.00 H new ATOM 0 HA GLU B 21 12.934 -0.539 -26.989 1.00 0.00 H new ATOM 0 HB2 GLU B 21 12.163 2.372 -26.477 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.249 1.882 -27.762 1.00 0.00 H new ATOM 0 HG2 GLU B 21 11.481 0.403 -28.720 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.396 0.828 -27.412 1.00 0.00 H new ATOM 1817 N GLY B 22 15.218 0.705 -26.392 1.00 0.00 N ATOM 1818 CA GLY B 22 16.564 0.956 -25.800 1.00 0.00 C ATOM 1819 C GLY B 22 16.545 2.166 -24.855 1.00 0.00 C ATOM 1820 O GLY B 22 17.317 2.230 -23.918 1.00 0.00 O ATOM 0 H GLY B 22 15.205 0.623 -27.409 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.894 0.072 -25.254 1.00 0.00 H new ATOM 0 HA3 GLY B 22 17.287 1.127 -26.597 1.00 0.00 H new ATOM 1824 N ASP B 23 15.693 3.133 -25.084 1.00 0.00 N ATOM 1825 CA ASP B 23 15.677 4.321 -24.183 1.00 0.00 C ATOM 1826 C ASP B 23 15.128 3.916 -22.813 1.00 0.00 C ATOM 1827 O ASP B 23 14.045 4.303 -22.422 1.00 0.00 O ATOM 1828 CB ASP B 23 14.790 5.403 -24.795 1.00 0.00 C ATOM 1829 CG ASP B 23 15.314 5.766 -26.185 1.00 0.00 C ATOM 1830 OD1 ASP B 23 16.517 5.910 -26.324 1.00 0.00 O ATOM 1831 OD2 ASP B 23 14.504 5.891 -27.088 1.00 0.00 O ATOM 0 H ASP B 23 15.016 3.151 -25.847 1.00 0.00 H new ATOM 0 HA ASP B 23 16.690 4.706 -24.063 1.00 0.00 H new ATOM 0 HB2 ASP B 23 13.761 5.049 -24.863 1.00 0.00 H new ATOM 0 HB3 ASP B 23 14.782 6.286 -24.156 1.00 0.00 H new ATOM 1836 N LYS B 24 15.872 3.128 -22.087 1.00 0.00 N ATOM 1837 CA LYS B 24 15.416 2.672 -20.742 1.00 0.00 C ATOM 1838 C LYS B 24 15.268 3.866 -19.792 1.00 0.00 C ATOM 1839 O LYS B 24 14.355 3.922 -18.992 1.00 0.00 O ATOM 1840 CB LYS B 24 16.465 1.719 -20.166 1.00 0.00 C ATOM 1841 CG LYS B 24 16.468 0.412 -20.963 1.00 0.00 C ATOM 1842 CD LYS B 24 17.348 -0.627 -20.261 1.00 0.00 C ATOM 1843 CE LYS B 24 18.808 -0.166 -20.271 1.00 0.00 C ATOM 1844 NZ LYS B 24 19.696 -1.324 -19.972 1.00 0.00 N ATOM 0 H LYS B 24 16.786 2.776 -22.371 1.00 0.00 H new ATOM 0 HA LYS B 24 14.452 2.174 -20.844 1.00 0.00 H new ATOM 0 HB2 LYS B 24 17.451 2.182 -20.205 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.249 1.516 -19.117 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.451 0.033 -21.060 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.839 0.592 -21.972 1.00 0.00 H new ATOM 0 HD2 LYS B 24 17.010 -0.769 -19.235 1.00 0.00 H new ATOM 0 HD3 LYS B 24 17.258 -1.591 -20.763 1.00 0.00 H new ATOM 0 HE2 LYS B 24 19.060 0.258 -21.243 1.00 0.00 H new ATOM 0 HE3 LYS B 24 18.957 0.621 -19.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 20.688 -1.012 -19.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 19.461 -1.709 -19.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 19.560 -2.061 -20.693 1.00 0.00 H new ATOM 1858 N HIS B 25 16.176 4.808 -19.852 1.00 0.00 N ATOM 1859 CA HIS B 25 16.111 5.986 -18.928 1.00 0.00 C ATOM 1860 C HIS B 25 15.472 7.192 -19.624 1.00 0.00 C ATOM 1861 O HIS B 25 15.392 8.264 -19.058 1.00 0.00 O ATOM 1862 CB HIS B 25 17.531 6.351 -18.486 1.00 0.00 C ATOM 1863 CG HIS B 25 18.141 5.179 -17.766 1.00 0.00 C ATOM 1864 ND1 HIS B 25 17.800 4.857 -16.460 1.00 0.00 N ATOM 1865 CD2 HIS B 25 19.063 4.238 -18.156 1.00 0.00 C ATOM 1866 CE1 HIS B 25 18.504 3.764 -16.114 1.00 0.00 C ATOM 1867 NE2 HIS B 25 19.287 3.349 -17.112 1.00 0.00 N ATOM 0 H HIS B 25 16.962 4.813 -20.502 1.00 0.00 H new ATOM 0 HA HIS B 25 15.500 5.722 -18.065 1.00 0.00 H new ATOM 0 HB2 HIS B 25 18.137 6.617 -19.352 1.00 0.00 H new ATOM 0 HB3 HIS B 25 17.509 7.223 -17.833 1.00 0.00 H new ATOM 0 HD2 HIS B 25 19.540 4.196 -19.124 1.00 0.00 H new ATOM 0 HE1 HIS B 25 18.443 3.283 -15.149 1.00 0.00 H new ATOM 0 HE2 HIS B 25 19.918 2.547 -17.109 1.00 0.00 H new ATOM 1876 N LYS B 26 15.017 7.036 -20.844 1.00 0.00 N ATOM 1877 CA LYS B 26 14.385 8.189 -21.562 1.00 0.00 C ATOM 1878 C LYS B 26 13.164 7.733 -22.358 1.00 0.00 C ATOM 1879 O LYS B 26 13.020 6.579 -22.711 1.00 0.00 O ATOM 1880 CB LYS B 26 15.399 8.835 -22.508 1.00 0.00 C ATOM 1881 CG LYS B 26 16.465 9.553 -21.685 1.00 0.00 C ATOM 1882 CD LYS B 26 17.486 10.203 -22.622 1.00 0.00 C ATOM 1883 CE LYS B 26 18.547 10.933 -21.795 1.00 0.00 C ATOM 1884 NZ LYS B 26 18.005 12.245 -21.335 1.00 0.00 N ATOM 0 H LYS B 26 15.055 6.164 -21.372 1.00 0.00 H new ATOM 0 HA LYS B 26 14.063 8.917 -20.818 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.860 8.076 -23.140 1.00 0.00 H new ATOM 0 HB3 LYS B 26 14.898 9.540 -23.171 1.00 0.00 H new ATOM 0 HG2 LYS B 26 16.002 10.311 -21.053 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.964 8.846 -21.021 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.956 9.444 -23.247 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.987 10.903 -23.292 1.00 0.00 H new ATOM 0 HE2 LYS B 26 18.836 10.326 -20.937 1.00 0.00 H new ATOM 0 HE3 LYS B 26 19.445 11.088 -22.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 18.477 13.015 -21.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 16.982 12.282 -21.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 18.177 12.353 -20.315 1.00 0.00 H new ATOM 1898 N LEU B 27 12.284 8.659 -22.634 1.00 0.00 N ATOM 1899 CA LEU B 27 11.038 8.359 -23.407 1.00 0.00 C ATOM 1900 C LEU B 27 11.070 9.165 -24.708 1.00 0.00 C ATOM 1901 O LEU B 27 11.168 10.372 -24.680 1.00 0.00 O ATOM 1902 CB LEU B 27 9.813 8.808 -22.573 1.00 0.00 C ATOM 1903 CG LEU B 27 9.249 7.649 -21.735 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.704 6.527 -22.643 1.00 0.00 C ATOM 1905 CD2 LEU B 27 10.351 7.108 -20.825 1.00 0.00 C ATOM 0 H LEU B 27 12.377 9.634 -22.350 1.00 0.00 H new ATOM 0 HA LEU B 27 10.973 7.292 -23.622 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.100 9.628 -21.915 1.00 0.00 H new ATOM 0 HB3 LEU B 27 9.038 9.189 -23.238 1.00 0.00 H new ATOM 0 HG LEU B 27 8.421 8.018 -21.129 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.311 5.719 -22.026 1.00 0.00 H new ATOM 0 HD12 LEU B 27 7.908 6.923 -23.273 1.00 0.00 H new ATOM 0 HD13 LEU B 27 9.508 6.145 -23.272 1.00 0.00 H new ATOM 0 HD21 LEU B 27 9.958 6.285 -20.227 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.182 6.750 -21.433 1.00 0.00 H new ATOM 0 HD23 LEU B 27 10.700 7.902 -20.165 1.00 0.00 H new ATOM 1917 N LYS B 28 10.968 8.526 -25.846 1.00 0.00 N ATOM 1918 CA LYS B 28 10.969 9.288 -27.127 1.00 0.00 C ATOM 1919 C LYS B 28 9.527 9.507 -27.566 1.00 0.00 C ATOM 1920 O LYS B 28 8.654 8.715 -27.267 1.00 0.00 O ATOM 1921 CB LYS B 28 11.725 8.492 -28.204 1.00 0.00 C ATOM 1922 CG LYS B 28 11.698 9.247 -29.542 1.00 0.00 C ATOM 1923 CD LYS B 28 12.465 8.450 -30.602 1.00 0.00 C ATOM 1924 CE LYS B 28 12.438 9.210 -31.931 1.00 0.00 C ATOM 1925 NZ LYS B 28 13.180 10.493 -31.784 1.00 0.00 N ATOM 0 H LYS B 28 10.885 7.514 -25.941 1.00 0.00 H new ATOM 0 HA LYS B 28 11.464 10.249 -26.987 1.00 0.00 H new ATOM 0 HB2 LYS B 28 12.756 8.331 -27.890 1.00 0.00 H new ATOM 0 HB3 LYS B 28 11.271 7.508 -28.324 1.00 0.00 H new ATOM 0 HG2 LYS B 28 10.668 9.400 -29.863 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.144 10.234 -29.422 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.495 8.294 -30.281 1.00 0.00 H new ATOM 0 HD3 LYS B 28 12.017 7.464 -30.726 1.00 0.00 H new ATOM 0 HE2 LYS B 28 12.889 8.605 -32.718 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.408 9.405 -32.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.457 10.843 -32.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 12.570 11.195 -31.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.032 10.337 -31.208 1.00 0.00 H new ATOM 1939 N LYS B 29 9.275 10.584 -28.265 1.00 0.00 N ATOM 1940 CA LYS B 29 7.891 10.890 -28.740 1.00 0.00 C ATOM 1941 C LYS B 29 7.188 9.601 -29.168 1.00 0.00 C ATOM 1942 O LYS B 29 5.980 9.486 -29.106 1.00 0.00 O ATOM 1943 CB LYS B 29 7.990 11.820 -29.958 1.00 0.00 C ATOM 1944 CG LYS B 29 6.635 12.477 -30.233 1.00 0.00 C ATOM 1945 CD LYS B 29 6.614 13.041 -31.660 1.00 0.00 C ATOM 1946 CE LYS B 29 7.715 14.095 -31.813 1.00 0.00 C ATOM 1947 NZ LYS B 29 7.470 14.900 -33.044 1.00 0.00 N ATOM 0 H LYS B 29 9.978 11.273 -28.530 1.00 0.00 H new ATOM 0 HA LYS B 29 7.326 11.361 -27.936 1.00 0.00 H new ATOM 0 HB2 LYS B 29 8.744 12.586 -29.779 1.00 0.00 H new ATOM 0 HB3 LYS B 29 8.312 11.254 -30.832 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.834 11.748 -30.108 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.454 13.275 -29.513 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.763 12.238 -32.381 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.641 13.484 -31.872 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.733 14.746 -30.939 1.00 0.00 H new ATOM 0 HE3 LYS B 29 8.690 13.611 -31.871 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.218 15.615 -33.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.474 14.274 -33.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.547 15.373 -32.971 1.00 0.00 H new ATOM 1961 N SER B 30 7.944 8.630 -29.593 1.00 0.00 N ATOM 1962 CA SER B 30 7.325 7.343 -30.016 1.00 0.00 C ATOM 1963 C SER B 30 6.996 6.526 -28.771 1.00 0.00 C ATOM 1964 O SER B 30 5.894 6.048 -28.595 1.00 0.00 O ATOM 1965 CB SER B 30 8.307 6.570 -30.896 1.00 0.00 C ATOM 1966 OG SER B 30 7.712 5.343 -31.297 1.00 0.00 O ATOM 0 H SER B 30 8.961 8.670 -29.666 1.00 0.00 H new ATOM 0 HA SER B 30 6.414 7.535 -30.583 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.572 7.162 -31.772 1.00 0.00 H new ATOM 0 HB3 SER B 30 9.230 6.378 -30.349 1.00 0.00 H new ATOM 0 HG SER B 30 8.338 4.845 -31.863 1.00 0.00 H new ATOM 1972 N GLU B 31 7.949 6.382 -27.897 1.00 0.00 N ATOM 1973 CA GLU B 31 7.713 5.618 -26.647 1.00 0.00 C ATOM 1974 C GLU B 31 6.671 6.364 -25.818 1.00 0.00 C ATOM 1975 O GLU B 31 5.818 5.770 -25.191 1.00 0.00 O ATOM 1976 CB GLU B 31 9.021 5.518 -25.863 1.00 0.00 C ATOM 1977 CG GLU B 31 10.025 4.684 -26.660 1.00 0.00 C ATOM 1978 CD GLU B 31 11.402 4.789 -26.010 1.00 0.00 C ATOM 1979 OE1 GLU B 31 11.620 4.115 -25.018 1.00 0.00 O ATOM 1980 OE2 GLU B 31 12.217 5.541 -26.520 1.00 0.00 O ATOM 0 H GLU B 31 8.889 6.765 -27.997 1.00 0.00 H new ATOM 0 HA GLU B 31 7.357 4.613 -26.876 1.00 0.00 H new ATOM 0 HB2 GLU B 31 9.424 6.514 -25.677 1.00 0.00 H new ATOM 0 HB3 GLU B 31 8.841 5.060 -24.890 1.00 0.00 H new ATOM 0 HG2 GLU B 31 9.705 3.643 -26.692 1.00 0.00 H new ATOM 0 HG3 GLU B 31 10.070 5.036 -27.691 1.00 0.00 H new ATOM 1987 N LEU B 32 6.737 7.669 -25.814 1.00 0.00 N ATOM 1988 CA LEU B 32 5.757 8.464 -25.032 1.00 0.00 C ATOM 1989 C LEU B 32 4.341 8.175 -25.536 1.00 0.00 C ATOM 1990 O LEU B 32 3.422 8.036 -24.762 1.00 0.00 O ATOM 1991 CB LEU B 32 6.084 9.952 -25.201 1.00 0.00 C ATOM 1992 CG LEU B 32 5.031 10.823 -24.506 1.00 0.00 C ATOM 1993 CD1 LEU B 32 4.954 10.471 -23.015 1.00 0.00 C ATOM 1994 CD2 LEU B 32 5.428 12.294 -24.666 1.00 0.00 C ATOM 0 H LEU B 32 7.432 8.217 -26.322 1.00 0.00 H new ATOM 0 HA LEU B 32 5.813 8.195 -23.977 1.00 0.00 H new ATOM 0 HB2 LEU B 32 7.069 10.162 -24.784 1.00 0.00 H new ATOM 0 HB3 LEU B 32 6.127 10.201 -26.261 1.00 0.00 H new ATOM 0 HG LEU B 32 4.055 10.646 -24.957 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.203 11.096 -22.532 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.680 9.422 -22.902 1.00 0.00 H new ATOM 0 HD13 LEU B 32 5.924 10.645 -22.550 1.00 0.00 H new ATOM 0 HD21 LEU B 32 4.687 12.926 -24.176 1.00 0.00 H new ATOM 0 HD22 LEU B 32 6.404 12.459 -24.210 1.00 0.00 H new ATOM 0 HD23 LEU B 32 5.475 12.545 -25.726 1.00 0.00 H new ATOM 2006 N LYS B 33 4.158 8.091 -26.823 1.00 0.00 N ATOM 2007 CA LYS B 33 2.796 7.816 -27.367 1.00 0.00 C ATOM 2008 C LYS B 33 2.291 6.462 -26.866 1.00 0.00 C ATOM 2009 O LYS B 33 1.129 6.300 -26.551 1.00 0.00 O ATOM 2010 CB LYS B 33 2.849 7.797 -28.895 1.00 0.00 C ATOM 2011 CG LYS B 33 1.432 7.637 -29.455 1.00 0.00 C ATOM 2012 CD LYS B 33 1.485 7.617 -30.981 1.00 0.00 C ATOM 2013 CE LYS B 33 0.068 7.469 -31.540 1.00 0.00 C ATOM 2014 NZ LYS B 33 -0.440 6.097 -31.254 1.00 0.00 N ATOM 0 H LYS B 33 4.891 8.201 -27.524 1.00 0.00 H new ATOM 0 HA LYS B 33 2.118 8.600 -27.029 1.00 0.00 H new ATOM 0 HB2 LYS B 33 3.295 8.720 -29.265 1.00 0.00 H new ATOM 0 HB3 LYS B 33 3.481 6.978 -29.237 1.00 0.00 H new ATOM 0 HG2 LYS B 33 0.985 6.714 -29.084 1.00 0.00 H new ATOM 0 HG3 LYS B 33 0.800 8.457 -29.113 1.00 0.00 H new ATOM 0 HD2 LYS B 33 1.939 8.536 -31.352 1.00 0.00 H new ATOM 0 HD3 LYS B 33 2.110 6.792 -31.323 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -0.591 8.213 -31.091 1.00 0.00 H new ATOM 0 HE3 LYS B 33 0.069 7.651 -32.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -1.268 5.902 -31.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 0.306 5.401 -31.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -0.712 6.029 -30.253 1.00 0.00 H new ATOM 2028 N GLU B 34 3.151 5.486 -26.810 1.00 0.00 N ATOM 2029 CA GLU B 34 2.725 4.138 -26.355 1.00 0.00 C ATOM 2030 C GLU B 34 2.257 4.223 -24.903 1.00 0.00 C ATOM 2031 O GLU B 34 1.291 3.615 -24.512 1.00 0.00 O ATOM 2032 CB GLU B 34 3.901 3.167 -26.483 1.00 0.00 C ATOM 2033 CG GLU B 34 4.194 2.911 -27.964 1.00 0.00 C ATOM 2034 CD GLU B 34 5.383 1.956 -28.092 1.00 0.00 C ATOM 2035 OE1 GLU B 34 6.505 2.420 -27.967 1.00 0.00 O ATOM 2036 OE2 GLU B 34 5.153 0.778 -28.315 1.00 0.00 O ATOM 0 H GLU B 34 4.136 5.566 -27.062 1.00 0.00 H new ATOM 0 HA GLU B 34 1.902 3.776 -26.971 1.00 0.00 H new ATOM 0 HB2 GLU B 34 4.783 3.581 -25.993 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.668 2.229 -25.980 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.317 2.484 -28.451 1.00 0.00 H new ATOM 0 HG3 GLU B 34 4.413 3.851 -28.470 1.00 0.00 H new ATOM 2043 N LEU B 35 2.933 4.980 -24.099 1.00 0.00 N ATOM 2044 CA LEU B 35 2.505 5.116 -22.682 1.00 0.00 C ATOM 2045 C LEU B 35 1.091 5.690 -22.663 1.00 0.00 C ATOM 2046 O LEU B 35 0.214 5.208 -21.982 1.00 0.00 O ATOM 2047 CB LEU B 35 3.471 6.075 -21.957 1.00 0.00 C ATOM 2048 CG LEU B 35 3.025 6.359 -20.498 1.00 0.00 C ATOM 2049 CD1 LEU B 35 1.796 7.302 -20.448 1.00 0.00 C ATOM 2050 CD2 LEU B 35 2.697 5.044 -19.786 1.00 0.00 C ATOM 0 H LEU B 35 3.764 5.512 -24.357 1.00 0.00 H new ATOM 0 HA LEU B 35 2.518 4.149 -22.180 1.00 0.00 H new ATOM 0 HB2 LEU B 35 4.473 5.645 -21.952 1.00 0.00 H new ATOM 0 HB3 LEU B 35 3.530 7.014 -22.507 1.00 0.00 H new ATOM 0 HG LEU B 35 3.851 6.857 -19.990 1.00 0.00 H new ATOM 0 HD11 LEU B 35 1.514 7.477 -19.410 1.00 0.00 H new ATOM 0 HD12 LEU B 35 2.046 8.252 -20.921 1.00 0.00 H new ATOM 0 HD13 LEU B 35 0.962 6.841 -20.978 1.00 0.00 H new ATOM 0 HD21 LEU B 35 2.385 5.252 -18.763 1.00 0.00 H new ATOM 0 HD22 LEU B 35 1.891 4.535 -20.315 1.00 0.00 H new ATOM 0 HD23 LEU B 35 3.581 4.407 -19.773 1.00 0.00 H new ATOM 2062 N ILE B 36 0.888 6.752 -23.384 1.00 0.00 N ATOM 2063 CA ILE B 36 -0.441 7.424 -23.397 1.00 0.00 C ATOM 2064 C ILE B 36 -1.494 6.622 -24.173 1.00 0.00 C ATOM 2065 O ILE B 36 -2.611 6.460 -23.729 1.00 0.00 O ATOM 2066 CB ILE B 36 -0.291 8.795 -24.071 1.00 0.00 C ATOM 2067 CG1 ILE B 36 0.732 9.645 -23.303 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -1.651 9.498 -24.075 1.00 0.00 C ATOM 2069 CD1 ILE B 36 0.970 10.968 -24.035 1.00 0.00 C ATOM 0 H ILE B 36 1.595 7.191 -23.974 1.00 0.00 H new ATOM 0 HA ILE B 36 -0.776 7.513 -22.364 1.00 0.00 H new ATOM 0 HB ILE B 36 0.059 8.664 -25.095 1.00 0.00 H new ATOM 0 HG12 ILE B 36 0.371 9.839 -22.293 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.671 9.100 -23.206 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -1.555 10.473 -24.552 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.371 8.894 -24.626 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -1.996 9.628 -23.049 1.00 0.00 H new ATOM 0 HD11 ILE B 36 1.697 11.564 -23.483 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.352 10.766 -25.036 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.031 11.517 -24.108 1.00 0.00 H new ATOM 2081 N ASN B 37 -1.171 6.180 -25.355 1.00 0.00 N ATOM 2082 CA ASN B 37 -2.183 5.463 -26.188 1.00 0.00 C ATOM 2083 C ASN B 37 -2.518 4.061 -25.663 1.00 0.00 C ATOM 2084 O ASN B 37 -3.649 3.621 -25.726 1.00 0.00 O ATOM 2085 CB ASN B 37 -1.638 5.337 -27.612 1.00 0.00 C ATOM 2086 CG ASN B 37 -2.665 4.624 -28.490 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -3.563 5.328 -29.124 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -2.650 3.415 -28.599 1.00 0.00 N flip ATOM 0 H ASN B 37 -0.251 6.283 -25.783 1.00 0.00 H new ATOM 0 HA ASN B 37 -3.103 6.046 -26.153 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -1.420 6.325 -28.018 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -0.701 4.781 -27.606 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -1.947 2.867 -28.103 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.340 2.947 -29.187 1.00 0.00 H new ATOM 2095 N ASN B 38 -1.540 3.331 -25.214 1.00 0.00 N ATOM 2096 CA ASN B 38 -1.790 1.917 -24.766 1.00 0.00 C ATOM 2097 C ASN B 38 -1.990 1.780 -23.247 1.00 0.00 C ATOM 2098 O ASN B 38 -2.703 0.902 -22.805 1.00 0.00 O ATOM 2099 CB ASN B 38 -0.597 1.058 -25.186 1.00 0.00 C ATOM 2100 CG ASN B 38 -0.542 0.975 -26.713 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -1.492 1.524 -27.419 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 0.378 0.410 -27.269 1.00 0.00 N flip ATOM 0 H ASN B 38 -0.573 3.644 -25.134 1.00 0.00 H new ATOM 0 HA ASN B 38 -2.717 1.589 -25.237 1.00 0.00 H new ATOM 0 HB2 ASN B 38 0.328 1.487 -24.801 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.686 0.059 -24.760 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.121 -0.019 -26.717 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.408 0.365 -28.288 1.00 0.00 H new ATOM 2109 N GLU B 39 -1.373 2.595 -22.429 1.00 0.00 N ATOM 2110 CA GLU B 39 -1.570 2.415 -20.955 1.00 0.00 C ATOM 2111 C GLU B 39 -2.874 3.091 -20.537 1.00 0.00 C ATOM 2112 O GLU B 39 -3.334 2.930 -19.424 1.00 0.00 O ATOM 2113 CB GLU B 39 -0.392 3.034 -20.180 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.332 2.441 -18.770 1.00 0.00 C ATOM 2115 CD GLU B 39 0.769 3.140 -17.971 1.00 0.00 C ATOM 2116 OE1 GLU B 39 1.927 2.841 -18.208 1.00 0.00 O ATOM 2117 OE2 GLU B 39 0.435 3.963 -17.135 1.00 0.00 O ATOM 0 H GLU B 39 -0.756 3.359 -22.706 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.617 1.350 -20.727 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.543 2.841 -20.706 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.509 4.116 -20.125 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.293 2.564 -18.271 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.135 1.370 -18.822 1.00 0.00 H new ATOM 2124 N LEU B 40 -3.468 3.850 -21.425 1.00 0.00 N ATOM 2125 CA LEU B 40 -4.747 4.557 -21.097 1.00 0.00 C ATOM 2126 C LEU B 40 -5.788 4.240 -22.172 1.00 0.00 C ATOM 2127 O LEU B 40 -6.334 5.124 -22.802 1.00 0.00 O ATOM 2128 CB LEU B 40 -4.488 6.064 -21.076 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.298 6.377 -20.157 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -2.902 7.845 -20.310 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.679 6.111 -18.697 1.00 0.00 C ATOM 0 H LEU B 40 -3.120 4.012 -22.370 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.114 4.229 -20.124 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.283 6.421 -22.085 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.377 6.590 -20.727 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.460 5.738 -20.436 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.057 8.064 -19.657 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.620 8.040 -21.345 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.745 8.480 -20.038 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.829 6.336 -18.052 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.522 6.744 -18.420 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.957 5.064 -18.579 1.00 0.00 H new ATOM 2143 N SER B 41 -6.062 2.984 -22.392 1.00 0.00 N ATOM 2144 CA SER B 41 -7.060 2.610 -23.433 1.00 0.00 C ATOM 2145 C SER B 41 -8.424 3.221 -23.099 1.00 0.00 C ATOM 2146 O SER B 41 -9.130 3.680 -23.975 1.00 0.00 O ATOM 2147 CB SER B 41 -7.187 1.089 -23.491 1.00 0.00 C ATOM 2148 OG SER B 41 -5.940 0.529 -23.876 1.00 0.00 O ATOM 0 H SER B 41 -5.638 2.200 -21.896 1.00 0.00 H new ATOM 0 HA SER B 41 -6.726 2.990 -24.399 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.489 0.700 -22.518 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.962 0.804 -24.202 1.00 0.00 H new ATOM 0 HG SER B 41 -6.017 -0.447 -23.913 1.00 0.00 H new ATOM 2154 N HIS B 42 -8.811 3.221 -21.844 1.00 0.00 N ATOM 2155 CA HIS B 42 -10.144 3.799 -21.467 1.00 0.00 C ATOM 2156 C HIS B 42 -10.041 4.608 -20.168 1.00 0.00 C ATOM 2157 O HIS B 42 -10.917 5.387 -19.850 1.00 0.00 O ATOM 2158 CB HIS B 42 -11.151 2.663 -21.267 1.00 0.00 C ATOM 2159 CG HIS B 42 -12.502 3.252 -20.973 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -13.155 4.083 -21.872 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -13.330 3.152 -19.882 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -14.321 4.451 -21.311 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -14.475 3.911 -20.100 1.00 0.00 N ATOM 0 H HIS B 42 -8.265 2.848 -21.067 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.472 4.461 -22.269 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.198 2.040 -22.160 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.834 2.019 -20.446 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.124 2.574 -18.993 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -15.043 5.102 -21.782 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -15.266 4.030 -19.467 1.00 0.00 H new ATOM 2172 N PHE B 43 -8.994 4.435 -19.408 1.00 0.00 N ATOM 2173 CA PHE B 43 -8.878 5.205 -18.135 1.00 0.00 C ATOM 2174 C PHE B 43 -8.830 6.703 -18.454 1.00 0.00 C ATOM 2175 O PHE B 43 -9.447 7.511 -17.789 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.606 4.768 -17.393 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.259 5.716 -16.253 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.257 6.395 -15.527 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -5.912 5.901 -15.912 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -7.900 7.248 -14.474 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.561 6.752 -14.857 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.553 7.425 -14.139 1.00 0.00 C ATOM 0 H PHE B 43 -8.221 3.801 -19.610 1.00 0.00 H new ATOM 0 HA PHE B 43 -9.740 5.010 -17.497 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.744 3.761 -16.999 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.773 4.724 -18.095 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.298 6.258 -15.782 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.142 5.385 -16.465 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.666 7.770 -13.920 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.522 6.889 -14.598 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.280 8.081 -13.326 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.112 7.072 -19.485 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.020 8.511 -19.887 1.00 0.00 C ATOM 2194 C LEU B 44 -8.199 8.594 -21.402 1.00 0.00 C ATOM 2195 O LEU B 44 -8.026 7.618 -22.104 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.642 9.070 -19.499 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.692 10.615 -19.434 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.075 11.063 -18.018 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.316 11.194 -19.789 1.00 0.00 C ATOM 0 H LEU B 44 -7.579 6.431 -20.073 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.790 9.094 -19.382 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.337 8.668 -18.533 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -5.895 8.753 -20.227 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.435 10.975 -20.145 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.109 12.152 -17.977 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.055 10.660 -17.761 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.334 10.696 -17.308 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.356 12.282 -19.742 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.573 10.827 -19.081 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.040 10.884 -20.797 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.546 9.736 -21.920 1.00 0.00 N ATOM 2212 CA GLU B 45 -8.726 9.830 -23.390 1.00 0.00 C ATOM 2213 C GLU B 45 -7.414 9.441 -24.069 1.00 0.00 C ATOM 2214 O GLU B 45 -6.426 10.144 -23.988 1.00 0.00 O ATOM 2215 CB GLU B 45 -9.094 11.265 -23.769 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.444 11.331 -25.256 1.00 0.00 C ATOM 2217 CD GLU B 45 -10.766 10.604 -25.504 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -11.497 10.404 -24.549 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -11.025 10.258 -26.646 1.00 0.00 O ATOM 0 H GLU B 45 -8.711 10.596 -21.397 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.524 9.161 -23.712 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.940 11.604 -23.171 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.261 11.934 -23.551 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.523 12.370 -25.576 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.650 10.875 -25.848 1.00 0.00 H new ATOM 2226 N GLU B 46 -7.399 8.323 -24.738 1.00 0.00 N ATOM 2227 CA GLU B 46 -6.157 7.880 -25.423 1.00 0.00 C ATOM 2228 C GLU B 46 -5.876 8.809 -26.613 1.00 0.00 C ATOM 2229 O GLU B 46 -6.783 9.330 -27.232 1.00 0.00 O ATOM 2230 CB GLU B 46 -6.327 6.411 -25.879 1.00 0.00 C ATOM 2231 CG GLU B 46 -6.929 6.330 -27.289 1.00 0.00 C ATOM 2232 CD GLU B 46 -7.314 4.882 -27.594 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -6.470 4.017 -27.428 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -8.447 4.663 -27.990 1.00 0.00 O ATOM 0 H GLU B 46 -8.197 7.696 -24.839 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.306 7.932 -24.744 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.359 5.910 -25.865 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -6.970 5.882 -25.176 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -7.806 6.974 -27.360 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.210 6.689 -28.025 1.00 0.00 H new ATOM 2241 N ILE B 47 -4.631 9.009 -26.946 1.00 0.00 N ATOM 2242 CA ILE B 47 -4.303 9.888 -28.104 1.00 0.00 C ATOM 2243 C ILE B 47 -4.501 9.094 -29.395 1.00 0.00 C ATOM 2244 O ILE B 47 -4.218 7.914 -29.460 1.00 0.00 O ATOM 2245 CB ILE B 47 -2.868 10.396 -27.976 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -2.827 11.402 -26.819 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -2.440 11.065 -29.287 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -1.402 11.896 -26.586 1.00 0.00 C ATOM 0 H ILE B 47 -3.827 8.603 -26.467 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.962 10.756 -28.122 1.00 0.00 H new ATOM 0 HB ILE B 47 -2.182 9.573 -27.776 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -3.479 12.247 -27.042 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -3.209 10.936 -25.911 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -1.416 11.427 -29.194 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -2.496 10.341 -30.100 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -3.103 11.903 -29.501 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -1.394 12.609 -25.761 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.759 11.050 -26.341 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -1.033 12.382 -27.489 1.00 0.00 H new ATOM 2260 N LYS B 48 -5.042 9.726 -30.403 1.00 0.00 N ATOM 2261 CA LYS B 48 -5.338 9.017 -31.685 1.00 0.00 C ATOM 2262 C LYS B 48 -4.397 9.467 -32.808 1.00 0.00 C ATOM 2263 O LYS B 48 -4.377 8.874 -33.868 1.00 0.00 O ATOM 2264 CB LYS B 48 -6.789 9.344 -32.075 1.00 0.00 C ATOM 2265 CG LYS B 48 -7.686 9.350 -30.809 1.00 0.00 C ATOM 2266 CD LYS B 48 -7.839 10.779 -30.255 1.00 0.00 C ATOM 2267 CE LYS B 48 -8.905 10.793 -29.158 1.00 0.00 C ATOM 2268 NZ LYS B 48 -10.256 10.769 -29.784 1.00 0.00 N ATOM 0 H LYS B 48 -5.295 10.714 -30.393 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.194 7.946 -31.545 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -6.833 10.316 -32.567 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -7.158 8.608 -32.789 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.667 8.942 -31.051 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -7.251 8.704 -30.046 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.887 11.129 -29.855 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -8.119 11.463 -31.057 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -8.780 9.931 -28.503 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -8.794 11.683 -28.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -10.706 11.700 -29.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -10.166 10.545 -30.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -10.841 10.045 -29.320 1.00 0.00 H new ATOM 2282 N GLU B 49 -3.630 10.511 -32.607 1.00 0.00 N ATOM 2283 CA GLU B 49 -2.716 10.985 -33.690 1.00 0.00 C ATOM 2284 C GLU B 49 -1.370 11.409 -33.093 1.00 0.00 C ATOM 2285 O GLU B 49 -1.301 11.995 -32.031 1.00 0.00 O ATOM 2286 CB GLU B 49 -3.375 12.164 -34.407 1.00 0.00 C ATOM 2287 CG GLU B 49 -2.570 12.528 -35.657 1.00 0.00 C ATOM 2288 CD GLU B 49 -2.713 11.413 -36.697 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -3.658 10.648 -36.592 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -1.877 11.346 -37.583 1.00 0.00 O ATOM 0 H GLU B 49 -3.598 11.053 -31.743 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.535 10.180 -34.402 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.397 11.907 -34.684 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.432 13.022 -33.738 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.925 13.473 -36.069 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.520 12.667 -35.399 1.00 0.00 H new ATOM 2297 N GLN B 50 -0.304 11.098 -33.776 1.00 0.00 N ATOM 2298 CA GLN B 50 1.061 11.452 -33.286 1.00 0.00 C ATOM 2299 C GLN B 50 1.199 12.968 -33.126 1.00 0.00 C ATOM 2300 O GLN B 50 1.963 13.442 -32.314 1.00 0.00 O ATOM 2301 CB GLN B 50 2.095 10.957 -34.303 1.00 0.00 C ATOM 2302 CG GLN B 50 3.506 11.097 -33.726 1.00 0.00 C ATOM 2303 CD GLN B 50 3.696 10.079 -32.601 1.00 0.00 C ATOM 2304 OE1 GLN B 50 3.837 10.501 -31.375 1.00 0.00 O flip ATOM 2305 NE2 GLN B 50 3.723 8.888 -32.841 1.00 0.00 N flip ATOM 0 H GLN B 50 -0.320 10.605 -34.669 1.00 0.00 H new ATOM 0 HA GLN B 50 1.224 10.982 -32.316 1.00 0.00 H new ATOM 0 HB2 GLN B 50 1.898 9.915 -34.556 1.00 0.00 H new ATOM 0 HB3 GLN B 50 2.012 11.530 -35.226 1.00 0.00 H new ATOM 0 HG2 GLN B 50 4.248 10.935 -34.507 1.00 0.00 H new ATOM 0 HG3 GLN B 50 3.657 12.108 -33.347 1.00 0.00 H new ATOM 0 HE21 GLN B 50 3.613 8.558 -33.800 1.00 0.00 H new ATOM 0 HE22 GLN B 50 3.856 8.218 -32.083 1.00 0.00 H new ATOM 2314 N GLU B 51 0.496 13.733 -33.912 1.00 0.00 N ATOM 2315 CA GLU B 51 0.624 15.219 -33.814 1.00 0.00 C ATOM 2316 C GLU B 51 0.239 15.695 -32.415 1.00 0.00 C ATOM 2317 O GLU B 51 0.854 16.587 -31.877 1.00 0.00 O ATOM 2318 CB GLU B 51 -0.273 15.887 -34.863 1.00 0.00 C ATOM 2319 CG GLU B 51 -1.741 15.701 -34.481 1.00 0.00 C ATOM 2320 CD GLU B 51 -2.630 16.123 -35.651 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -2.144 16.841 -36.510 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -3.782 15.722 -35.669 1.00 0.00 O ATOM 0 H GLU B 51 -0.161 13.398 -34.617 1.00 0.00 H new ATOM 0 HA GLU B 51 1.661 15.496 -34.001 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.038 16.949 -34.933 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.085 15.453 -35.845 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.931 14.659 -34.223 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.976 16.296 -33.599 1.00 0.00 H new ATOM 2329 N VAL B 52 -0.758 15.115 -31.813 1.00 0.00 N ATOM 2330 CA VAL B 52 -1.136 15.562 -30.447 1.00 0.00 C ATOM 2331 C VAL B 52 0.054 15.353 -29.533 1.00 0.00 C ATOM 2332 O VAL B 52 0.347 16.161 -28.684 1.00 0.00 O ATOM 2333 CB VAL B 52 -2.314 14.735 -29.942 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -2.660 15.153 -28.513 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -3.521 14.952 -30.851 1.00 0.00 C ATOM 0 H VAL B 52 -1.322 14.359 -32.202 1.00 0.00 H new ATOM 0 HA VAL B 52 -1.423 16.613 -30.463 1.00 0.00 H new ATOM 0 HB VAL B 52 -2.044 13.679 -29.951 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.502 14.561 -28.154 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -1.798 14.987 -27.867 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -2.927 16.210 -28.498 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -4.361 14.360 -30.488 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.793 16.007 -30.849 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.272 14.644 -31.866 1.00 0.00 H new ATOM 2345 N VAL B 53 0.738 14.270 -29.708 1.00 0.00 N ATOM 2346 CA VAL B 53 1.922 13.985 -28.865 1.00 0.00 C ATOM 2347 C VAL B 53 2.988 15.052 -29.093 1.00 0.00 C ATOM 2348 O VAL B 53 3.667 15.455 -28.181 1.00 0.00 O ATOM 2349 CB VAL B 53 2.472 12.621 -29.247 1.00 0.00 C ATOM 2350 CG1 VAL B 53 3.634 12.256 -28.331 1.00 0.00 C ATOM 2351 CG2 VAL B 53 1.363 11.588 -29.119 1.00 0.00 C ATOM 0 H VAL B 53 0.526 13.559 -30.408 1.00 0.00 H new ATOM 0 HA VAL B 53 1.638 13.991 -27.813 1.00 0.00 H new ATOM 0 HB VAL B 53 2.833 12.644 -30.275 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.024 11.277 -28.610 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.423 13.002 -28.429 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.288 12.228 -27.298 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.748 10.605 -29.391 1.00 0.00 H new ATOM 0 HG22 VAL B 53 1.004 11.565 -28.090 1.00 0.00 H new ATOM 0 HG23 VAL B 53 0.541 11.852 -29.784 1.00 0.00 H new ATOM 2361 N ASP B 54 3.148 15.493 -30.309 1.00 0.00 N ATOM 2362 CA ASP B 54 4.177 16.530 -30.611 1.00 0.00 C ATOM 2363 C ASP B 54 3.835 17.821 -29.870 1.00 0.00 C ATOM 2364 O ASP B 54 4.693 18.519 -29.374 1.00 0.00 O ATOM 2365 CB ASP B 54 4.216 16.799 -32.119 1.00 0.00 C ATOM 2366 CG ASP B 54 5.309 17.827 -32.437 1.00 0.00 C ATOM 2367 OD1 ASP B 54 5.714 18.535 -31.531 1.00 0.00 O ATOM 2368 OD2 ASP B 54 5.721 17.887 -33.584 1.00 0.00 O ATOM 0 H ASP B 54 2.606 15.178 -31.114 1.00 0.00 H new ATOM 0 HA ASP B 54 5.154 16.172 -30.285 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.409 15.871 -32.658 1.00 0.00 H new ATOM 0 HB3 ASP B 54 3.248 17.168 -32.457 1.00 0.00 H new ATOM 2373 N LYS B 55 2.583 18.143 -29.805 1.00 0.00 N ATOM 2374 CA LYS B 55 2.162 19.386 -29.105 1.00 0.00 C ATOM 2375 C LYS B 55 2.446 19.214 -27.620 1.00 0.00 C ATOM 2376 O LYS B 55 2.914 20.112 -26.945 1.00 0.00 O ATOM 2377 CB LYS B 55 0.668 19.619 -29.338 1.00 0.00 C ATOM 2378 CG LYS B 55 0.238 20.933 -28.682 1.00 0.00 C ATOM 2379 CD LYS B 55 -1.256 21.155 -28.928 1.00 0.00 C ATOM 2380 CE LYS B 55 -1.657 22.550 -28.442 1.00 0.00 C ATOM 2381 NZ LYS B 55 -0.996 23.582 -29.291 1.00 0.00 N ATOM 0 H LYS B 55 1.822 17.597 -30.209 1.00 0.00 H new ATOM 0 HA LYS B 55 2.710 20.247 -29.487 1.00 0.00 H new ATOM 0 HB2 LYS B 55 0.458 19.650 -30.407 1.00 0.00 H new ATOM 0 HB3 LYS B 55 0.093 18.791 -28.924 1.00 0.00 H new ATOM 0 HG2 LYS B 55 0.442 20.902 -27.612 1.00 0.00 H new ATOM 0 HG3 LYS B 55 0.813 21.763 -29.092 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.479 21.051 -29.990 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -1.837 20.396 -28.405 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.740 22.665 -28.488 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -1.366 22.681 -27.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.525 24.475 -29.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.022 23.732 -28.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.979 23.259 -30.280 1.00 0.00 H new ATOM 2395 N VAL B 56 2.190 18.043 -27.117 1.00 0.00 N ATOM 2396 CA VAL B 56 2.463 17.771 -25.685 1.00 0.00 C ATOM 2397 C VAL B 56 3.966 17.869 -25.482 1.00 0.00 C ATOM 2398 O VAL B 56 4.446 18.238 -24.429 1.00 0.00 O ATOM 2399 CB VAL B 56 1.960 16.366 -25.327 1.00 0.00 C ATOM 2400 CG1 VAL B 56 2.539 15.915 -23.983 1.00 0.00 C ATOM 2401 CG2 VAL B 56 0.436 16.397 -25.226 1.00 0.00 C ATOM 0 H VAL B 56 1.801 17.259 -27.640 1.00 0.00 H new ATOM 0 HA VAL B 56 1.951 18.487 -25.042 1.00 0.00 H new ATOM 0 HB VAL B 56 2.278 15.667 -26.101 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.172 14.917 -23.745 1.00 0.00 H new ATOM 0 HG12 VAL B 56 3.627 15.896 -24.043 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.231 16.611 -23.202 1.00 0.00 H new ATOM 0 HG21 VAL B 56 0.068 15.403 -24.972 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.137 17.104 -24.452 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.014 16.707 -26.182 1.00 0.00 H new ATOM 2411 N MET B 57 4.710 17.541 -26.498 1.00 0.00 N ATOM 2412 CA MET B 57 6.187 17.614 -26.381 1.00 0.00 C ATOM 2413 C MET B 57 6.614 19.074 -26.283 1.00 0.00 C ATOM 2414 O MET B 57 7.544 19.403 -25.590 1.00 0.00 O ATOM 2415 CB MET B 57 6.859 16.932 -27.592 1.00 0.00 C ATOM 2416 CG MET B 57 6.965 15.410 -27.375 1.00 0.00 C ATOM 2417 SD MET B 57 8.364 14.779 -28.340 1.00 0.00 S ATOM 2418 CE MET B 57 9.073 13.662 -27.098 1.00 0.00 C ATOM 0 H MET B 57 4.359 17.226 -27.402 1.00 0.00 H new ATOM 0 HA MET B 57 6.503 17.088 -25.480 1.00 0.00 H new ATOM 0 HB2 MET B 57 6.284 17.136 -28.495 1.00 0.00 H new ATOM 0 HB3 MET B 57 7.853 17.352 -27.746 1.00 0.00 H new ATOM 0 HG2 MET B 57 7.106 15.188 -26.317 1.00 0.00 H new ATOM 0 HG3 MET B 57 6.042 14.919 -27.683 1.00 0.00 H new ATOM 0 HE1 MET B 57 9.623 12.865 -27.598 1.00 0.00 H new ATOM 0 HE2 MET B 57 9.750 14.220 -26.451 1.00 0.00 H new ATOM 0 HE3 MET B 57 8.272 13.230 -26.498 1.00 0.00 H new ATOM 2428 N GLU B 58 5.949 19.971 -26.942 1.00 0.00 N ATOM 2429 CA GLU B 58 6.378 21.386 -26.823 1.00 0.00 C ATOM 2430 C GLU B 58 6.343 21.755 -25.340 1.00 0.00 C ATOM 2431 O GLU B 58 7.216 22.427 -24.831 1.00 0.00 O ATOM 2432 CB GLU B 58 5.416 22.279 -27.605 1.00 0.00 C ATOM 2433 CG GLU B 58 5.888 23.732 -27.532 1.00 0.00 C ATOM 2434 CD GLU B 58 4.957 24.611 -28.369 1.00 0.00 C ATOM 2435 OE1 GLU B 58 4.068 24.064 -29.001 1.00 0.00 O ATOM 2436 OE2 GLU B 58 5.148 25.816 -28.363 1.00 0.00 O ATOM 0 H GLU B 58 5.145 19.795 -27.545 1.00 0.00 H new ATOM 0 HA GLU B 58 7.382 21.522 -27.226 1.00 0.00 H new ATOM 0 HB2 GLU B 58 5.366 21.954 -28.644 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.410 22.192 -27.196 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.894 24.072 -26.497 1.00 0.00 H new ATOM 0 HG3 GLU B 58 6.911 23.813 -27.900 1.00 0.00 H new ATOM 2443 N THR B 59 5.340 21.295 -24.644 1.00 0.00 N ATOM 2444 CA THR B 59 5.234 21.583 -23.184 1.00 0.00 C ATOM 2445 C THR B 59 5.989 20.532 -22.359 1.00 0.00 C ATOM 2446 O THR B 59 6.620 20.847 -21.369 1.00 0.00 O ATOM 2447 CB THR B 59 3.757 21.555 -22.784 1.00 0.00 C ATOM 2448 OG1 THR B 59 3.074 22.629 -23.414 1.00 0.00 O ATOM 2449 CG2 THR B 59 3.611 21.674 -21.262 1.00 0.00 C ATOM 0 H THR B 59 4.583 20.728 -25.026 1.00 0.00 H new ATOM 0 HA THR B 59 5.673 22.561 -22.988 1.00 0.00 H new ATOM 0 HB THR B 59 3.324 20.607 -23.104 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.128 22.610 -23.159 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.554 21.652 -20.995 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.124 20.841 -20.781 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.051 22.613 -20.927 1.00 0.00 H new ATOM 2457 N LEU B 60 5.893 19.280 -22.728 1.00 0.00 N ATOM 2458 CA LEU B 60 6.561 18.211 -21.931 1.00 0.00 C ATOM 2459 C LEU B 60 8.011 18.037 -22.378 1.00 0.00 C ATOM 2460 O LEU B 60 8.831 17.531 -21.640 1.00 0.00 O ATOM 2461 CB LEU B 60 5.792 16.896 -22.111 1.00 0.00 C ATOM 2462 CG LEU B 60 6.415 15.783 -21.255 1.00 0.00 C ATOM 2463 CD1 LEU B 60 6.368 16.162 -19.764 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.622 14.490 -21.480 1.00 0.00 C ATOM 0 H LEU B 60 5.380 18.953 -23.547 1.00 0.00 H new ATOM 0 HA LEU B 60 6.561 18.495 -20.879 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.748 17.037 -21.830 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.802 16.603 -23.161 1.00 0.00 H new ATOM 0 HG LEU B 60 7.457 15.644 -21.544 1.00 0.00 H new ATOM 0 HD11 LEU B 60 6.813 15.363 -19.171 1.00 0.00 H new ATOM 0 HD12 LEU B 60 6.925 17.085 -19.605 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.332 16.307 -19.458 1.00 0.00 H new ATOM 0 HD21 LEU B 60 6.053 13.690 -20.878 1.00 0.00 H new ATOM 0 HD22 LEU B 60 4.583 14.645 -21.188 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.665 14.215 -22.534 1.00 0.00 H new ATOM 2476 N ASP B 61 8.358 18.472 -23.560 1.00 0.00 N ATOM 2477 CA ASP B 61 9.784 18.341 -23.987 1.00 0.00 C ATOM 2478 C ASP B 61 10.521 19.513 -23.370 1.00 0.00 C ATOM 2479 O ASP B 61 10.985 20.413 -24.042 1.00 0.00 O ATOM 2480 CB ASP B 61 9.922 18.377 -25.511 1.00 0.00 C ATOM 2481 CG ASP B 61 11.299 17.849 -25.915 1.00 0.00 C ATOM 2482 OD1 ASP B 61 12.173 17.820 -25.067 1.00 0.00 O ATOM 2483 OD2 ASP B 61 11.454 17.481 -27.067 1.00 0.00 O ATOM 0 H ASP B 61 7.731 18.905 -24.238 1.00 0.00 H new ATOM 0 HA ASP B 61 10.193 17.385 -23.660 1.00 0.00 H new ATOM 0 HB2 ASP B 61 9.140 17.772 -25.971 1.00 0.00 H new ATOM 0 HB3 ASP B 61 9.792 19.397 -25.874 1.00 0.00 H new ATOM 2488 N GLU B 62 10.580 19.514 -22.080 1.00 0.00 N ATOM 2489 CA GLU B 62 11.228 20.627 -21.347 1.00 0.00 C ATOM 2490 C GLU B 62 12.677 20.796 -21.809 1.00 0.00 C ATOM 2491 O GLU B 62 13.162 21.901 -21.960 1.00 0.00 O ATOM 2492 CB GLU B 62 11.210 20.288 -19.862 1.00 0.00 C ATOM 2493 CG GLU B 62 9.812 19.792 -19.467 1.00 0.00 C ATOM 2494 CD GLU B 62 9.705 19.751 -17.942 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.716 19.958 -17.291 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.615 19.513 -17.450 1.00 0.00 O ATOM 0 H GLU B 62 10.200 18.777 -21.487 1.00 0.00 H new ATOM 0 HA GLU B 62 10.692 21.556 -21.539 1.00 0.00 H new ATOM 0 HB2 GLU B 62 11.954 19.522 -19.644 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.475 21.167 -19.274 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.049 20.452 -19.879 1.00 0.00 H new ATOM 0 HG3 GLU B 62 9.634 18.800 -19.883 1.00 0.00 H new ATOM 2503 N ASP B 63 13.375 19.719 -22.032 1.00 0.00 N ATOM 2504 CA ASP B 63 14.793 19.835 -22.483 1.00 0.00 C ATOM 2505 C ASP B 63 14.823 20.062 -23.996 1.00 0.00 C ATOM 2506 O ASP B 63 15.851 20.365 -24.569 1.00 0.00 O ATOM 2507 CB ASP B 63 15.555 18.556 -22.128 1.00 0.00 C ATOM 2508 CG ASP B 63 14.957 17.368 -22.879 1.00 0.00 C ATOM 2509 OD1 ASP B 63 13.942 17.552 -23.528 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.528 16.295 -22.792 1.00 0.00 O ATOM 0 H ASP B 63 13.029 18.766 -21.923 1.00 0.00 H new ATOM 0 HA ASP B 63 15.270 20.678 -21.982 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.608 18.667 -22.385 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.506 18.380 -21.053 1.00 0.00 H new ATOM 2515 N GLY B 64 13.695 19.936 -24.642 1.00 0.00 N ATOM 2516 CA GLY B 64 13.646 20.168 -26.116 1.00 0.00 C ATOM 2517 C GLY B 64 14.583 19.198 -26.839 1.00 0.00 C ATOM 2518 O GLY B 64 15.269 19.573 -27.770 1.00 0.00 O ATOM 0 H GLY B 64 12.805 19.682 -24.213 1.00 0.00 H new ATOM 0 HA2 GLY B 64 12.626 20.037 -26.478 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.933 21.196 -26.339 1.00 0.00 H new ATOM 2522 N ASP B 65 14.619 17.954 -26.429 1.00 0.00 N ATOM 2523 CA ASP B 65 15.512 16.960 -27.104 1.00 0.00 C ATOM 2524 C ASP B 65 14.654 16.028 -27.953 1.00 0.00 C ATOM 2525 O ASP B 65 15.143 15.096 -28.559 1.00 0.00 O ATOM 2526 CB ASP B 65 16.244 16.143 -26.041 1.00 0.00 C ATOM 2527 CG ASP B 65 15.216 15.387 -25.205 1.00 0.00 C ATOM 2528 OD1 ASP B 65 14.061 15.776 -25.240 1.00 0.00 O ATOM 2529 OD2 ASP B 65 15.599 14.437 -24.545 1.00 0.00 O ATOM 0 H ASP B 65 14.068 17.583 -25.655 1.00 0.00 H new ATOM 0 HA ASP B 65 16.238 17.475 -27.734 1.00 0.00 H new ATOM 0 HB2 ASP B 65 16.935 15.444 -26.512 1.00 0.00 H new ATOM 0 HB3 ASP B 65 16.839 16.799 -25.405 1.00 0.00 H new ATOM 2534 N GLY B 66 13.371 16.262 -27.984 1.00 0.00 N ATOM 2535 CA GLY B 66 12.475 15.373 -28.776 1.00 0.00 C ATOM 2536 C GLY B 66 12.206 14.112 -27.959 1.00 0.00 C ATOM 2537 O GLY B 66 11.697 13.129 -28.456 1.00 0.00 O ATOM 0 H GLY B 66 12.905 17.028 -27.497 1.00 0.00 H new ATOM 0 HA2 GLY B 66 11.540 15.884 -29.005 1.00 0.00 H new ATOM 0 HA3 GLY B 66 12.940 15.117 -29.728 1.00 0.00 H new ATOM 2541 N GLU B 67 12.559 14.146 -26.701 1.00 0.00 N ATOM 2542 CA GLU B 67 12.343 12.977 -25.802 1.00 0.00 C ATOM 2543 C GLU B 67 12.126 13.492 -24.373 1.00 0.00 C ATOM 2544 O GLU B 67 12.911 14.268 -23.869 1.00 0.00 O ATOM 2545 CB GLU B 67 13.587 12.078 -25.804 1.00 0.00 C ATOM 2546 CG GLU B 67 14.062 11.835 -27.235 1.00 0.00 C ATOM 2547 CD GLU B 67 15.229 10.847 -27.220 1.00 0.00 C ATOM 2548 OE1 GLU B 67 15.723 10.559 -26.142 1.00 0.00 O ATOM 2549 OE2 GLU B 67 15.611 10.397 -28.287 1.00 0.00 O ATOM 0 H GLU B 67 12.996 14.951 -26.252 1.00 0.00 H new ATOM 0 HA GLU B 67 11.479 12.410 -26.149 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.383 12.545 -25.224 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.358 11.127 -25.323 1.00 0.00 H new ATOM 0 HG2 GLU B 67 13.245 11.441 -27.839 1.00 0.00 H new ATOM 0 HG3 GLU B 67 14.372 12.775 -27.692 1.00 0.00 H new ATOM 2556 N CYS B 68 11.097 13.058 -23.695 1.00 0.00 N ATOM 2557 CA CYS B 68 10.896 13.535 -22.282 1.00 0.00 C ATOM 2558 C CYS B 68 11.660 12.603 -21.335 1.00 0.00 C ATOM 2559 O CYS B 68 11.497 11.403 -21.359 1.00 0.00 O ATOM 2560 CB CYS B 68 9.403 13.571 -21.927 1.00 0.00 C ATOM 2561 SG CYS B 68 8.811 11.904 -21.541 1.00 0.00 S ATOM 0 H CYS B 68 10.395 12.406 -24.044 1.00 0.00 H new ATOM 0 HA CYS B 68 11.280 14.550 -22.181 1.00 0.00 H new ATOM 0 HB2 CYS B 68 9.241 14.229 -21.073 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.834 13.983 -22.760 1.00 0.00 H new ATOM 0 HG CYS B 68 9.748 11.241 -20.931 1.00 0.00 H new ATOM 2567 N ASP B 69 12.510 13.158 -20.518 1.00 0.00 N ATOM 2568 CA ASP B 69 13.319 12.326 -19.579 1.00 0.00 C ATOM 2569 C ASP B 69 12.432 11.781 -18.458 1.00 0.00 C ATOM 2570 O ASP B 69 11.364 12.294 -18.190 1.00 0.00 O ATOM 2571 CB ASP B 69 14.435 13.184 -18.977 1.00 0.00 C ATOM 2572 CG ASP B 69 15.470 13.504 -20.058 1.00 0.00 C ATOM 2573 OD1 ASP B 69 15.502 12.792 -21.047 1.00 0.00 O ATOM 2574 OD2 ASP B 69 16.212 14.456 -19.879 1.00 0.00 O ATOM 0 H ASP B 69 12.682 14.162 -20.459 1.00 0.00 H new ATOM 0 HA ASP B 69 13.751 11.488 -20.126 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.020 14.107 -18.571 1.00 0.00 H new ATOM 0 HB3 ASP B 69 14.909 12.656 -18.150 1.00 0.00 H new ATOM 2579 N PHE B 70 12.871 10.739 -17.801 1.00 0.00 N ATOM 2580 CA PHE B 70 12.066 10.150 -16.697 1.00 0.00 C ATOM 2581 C PHE B 70 11.594 11.278 -15.773 1.00 0.00 C ATOM 2582 O PHE B 70 10.486 11.266 -15.279 1.00 0.00 O ATOM 2583 CB PHE B 70 12.936 9.094 -15.957 1.00 0.00 C ATOM 2584 CG PHE B 70 13.303 9.508 -14.547 1.00 0.00 C ATOM 2585 CD1 PHE B 70 12.447 9.188 -13.488 1.00 0.00 C ATOM 2586 CD2 PHE B 70 14.507 10.179 -14.296 1.00 0.00 C ATOM 2587 CE1 PHE B 70 12.789 9.539 -12.180 1.00 0.00 C ATOM 2588 CE2 PHE B 70 14.853 10.527 -12.983 1.00 0.00 C ATOM 2589 CZ PHE B 70 13.991 10.206 -11.925 1.00 0.00 C ATOM 0 H PHE B 70 13.758 10.270 -17.985 1.00 0.00 H new ATOM 0 HA PHE B 70 11.178 9.642 -17.074 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.396 8.148 -15.922 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.849 8.920 -16.527 1.00 0.00 H new ATOM 0 HD1 PHE B 70 11.520 8.669 -13.682 1.00 0.00 H new ATOM 0 HD2 PHE B 70 15.168 10.428 -15.113 1.00 0.00 H new ATOM 0 HE1 PHE B 70 12.124 9.295 -11.365 1.00 0.00 H new ATOM 0 HE2 PHE B 70 15.782 11.042 -12.787 1.00 0.00 H new ATOM 0 HZ PHE B 70 14.256 10.474 -10.913 1.00 0.00 H new ATOM 2599 N GLN B 71 12.424 12.255 -15.549 1.00 0.00 N ATOM 2600 CA GLN B 71 12.019 13.390 -14.675 1.00 0.00 C ATOM 2601 C GLN B 71 10.948 14.242 -15.378 1.00 0.00 C ATOM 2602 O GLN B 71 10.010 14.701 -14.758 1.00 0.00 O ATOM 2603 CB GLN B 71 13.243 14.250 -14.355 1.00 0.00 C ATOM 2604 CG GLN B 71 13.952 14.639 -15.651 1.00 0.00 C ATOM 2605 CD GLN B 71 15.231 15.406 -15.323 1.00 0.00 C ATOM 2606 OE1 GLN B 71 16.042 14.950 -14.541 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.446 16.562 -15.887 1.00 0.00 N ATOM 0 H GLN B 71 13.367 12.318 -15.933 1.00 0.00 H new ATOM 0 HA GLN B 71 11.601 12.997 -13.748 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.939 15.145 -13.813 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.926 13.701 -13.706 1.00 0.00 H new ATOM 0 HG2 GLN B 71 14.189 13.746 -16.230 1.00 0.00 H new ATOM 0 HG3 GLN B 71 13.295 15.253 -16.267 1.00 0.00 H new ATOM 0 HE21 GLN B 71 14.765 16.944 -16.543 1.00 0.00 H new ATOM 0 HE22 GLN B 71 16.295 17.084 -15.672 1.00 0.00 H new ATOM 2616 N GLU B 72 11.068 14.469 -16.664 1.00 0.00 N ATOM 2617 CA GLU B 72 10.033 15.297 -17.355 1.00 0.00 C ATOM 2618 C GLU B 72 8.712 14.530 -17.392 1.00 0.00 C ATOM 2619 O GLU B 72 7.649 15.087 -17.192 1.00 0.00 O ATOM 2620 CB GLU B 72 10.476 15.608 -18.786 1.00 0.00 C ATOM 2621 CG GLU B 72 11.652 16.586 -18.758 1.00 0.00 C ATOM 2622 CD GLU B 72 12.066 16.925 -20.190 1.00 0.00 C ATOM 2623 OE1 GLU B 72 11.274 16.685 -21.087 1.00 0.00 O ATOM 2624 OE2 GLU B 72 13.162 17.429 -20.366 1.00 0.00 O ATOM 0 H GLU B 72 11.824 14.123 -17.255 1.00 0.00 H new ATOM 0 HA GLU B 72 9.904 16.232 -16.810 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.766 14.689 -19.295 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.647 16.036 -19.349 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.371 17.494 -18.224 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.492 16.147 -18.219 1.00 0.00 H new ATOM 2631 N PHE B 73 8.772 13.251 -17.632 1.00 0.00 N ATOM 2632 CA PHE B 73 7.531 12.436 -17.670 1.00 0.00 C ATOM 2633 C PHE B 73 6.882 12.453 -16.291 1.00 0.00 C ATOM 2634 O PHE B 73 5.679 12.392 -16.160 1.00 0.00 O ATOM 2635 CB PHE B 73 7.863 10.994 -18.056 1.00 0.00 C ATOM 2636 CG PHE B 73 6.600 10.173 -17.997 1.00 0.00 C ATOM 2637 CD1 PHE B 73 6.228 9.560 -16.796 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.798 10.030 -19.135 1.00 0.00 C ATOM 2639 CE1 PHE B 73 5.054 8.804 -16.730 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.623 9.272 -19.070 1.00 0.00 C ATOM 2641 CZ PHE B 73 4.251 8.660 -17.866 1.00 0.00 C ATOM 0 H PHE B 73 9.634 12.733 -17.804 1.00 0.00 H new ATOM 0 HA PHE B 73 6.847 12.854 -18.409 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.289 10.960 -19.059 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.612 10.584 -17.378 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.848 9.671 -15.919 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.085 10.504 -20.062 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.767 8.331 -15.802 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.004 9.159 -19.947 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.344 8.077 -17.815 1.00 0.00 H new ATOM 2651 N MET B 74 7.681 12.516 -15.263 1.00 0.00 N ATOM 2652 CA MET B 74 7.135 12.513 -13.880 1.00 0.00 C ATOM 2653 C MET B 74 6.205 13.708 -13.667 1.00 0.00 C ATOM 2654 O MET B 74 5.182 13.606 -13.010 1.00 0.00 O ATOM 2655 CB MET B 74 8.294 12.573 -12.862 1.00 0.00 C ATOM 2656 CG MET B 74 8.933 11.170 -12.648 1.00 0.00 C ATOM 2657 SD MET B 74 8.859 10.716 -10.889 1.00 0.00 S ATOM 2658 CE MET B 74 7.070 10.875 -10.660 1.00 0.00 C ATOM 0 H MET B 74 8.698 12.570 -15.324 1.00 0.00 H new ATOM 0 HA MET B 74 6.566 11.595 -13.733 1.00 0.00 H new ATOM 0 HB2 MET B 74 9.054 13.271 -13.214 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.925 12.956 -11.910 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.407 10.426 -13.247 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.969 11.177 -12.987 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.716 10.085 -9.997 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.844 11.846 -10.220 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.571 10.789 -11.625 1.00 0.00 H new ATOM 2668 N ALA B 75 6.546 14.844 -14.183 1.00 0.00 N ATOM 2669 CA ALA B 75 5.664 16.020 -13.963 1.00 0.00 C ATOM 2670 C ALA B 75 4.343 15.842 -14.714 1.00 0.00 C ATOM 2671 O ALA B 75 3.300 16.273 -14.266 1.00 0.00 O ATOM 2672 CB ALA B 75 6.371 17.294 -14.431 1.00 0.00 C ATOM 0 H ALA B 75 7.383 15.014 -14.740 1.00 0.00 H new ATOM 0 HA ALA B 75 5.448 16.105 -12.898 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.720 18.153 -14.267 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.294 17.426 -13.867 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.603 17.212 -15.493 1.00 0.00 H new ATOM 2678 N PHE B 76 4.383 15.215 -15.845 1.00 0.00 N ATOM 2679 CA PHE B 76 3.139 14.999 -16.640 1.00 0.00 C ATOM 2680 C PHE B 76 2.134 14.190 -15.825 1.00 0.00 C ATOM 2681 O PHE B 76 0.953 14.442 -15.852 1.00 0.00 O ATOM 2682 CB PHE B 76 3.518 14.253 -17.925 1.00 0.00 C ATOM 2683 CG PHE B 76 2.301 14.003 -18.777 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.902 14.966 -19.708 1.00 0.00 C ATOM 2685 CD2 PHE B 76 1.589 12.804 -18.656 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.787 14.735 -20.520 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.471 12.572 -19.467 1.00 0.00 C ATOM 2688 CZ PHE B 76 0.070 13.538 -20.399 1.00 0.00 C ATOM 0 H PHE B 76 5.232 14.835 -16.264 1.00 0.00 H new ATOM 0 HA PHE B 76 2.677 15.954 -16.891 1.00 0.00 H new ATOM 0 HB2 PHE B 76 4.248 14.836 -18.487 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.993 13.305 -17.674 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.455 15.889 -19.800 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.901 12.059 -17.939 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.479 15.479 -21.240 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.082 11.649 -19.374 1.00 0.00 H new ATOM 0 HZ PHE B 76 -0.792 13.360 -21.024 1.00 0.00 H new ATOM 2698 N VAL B 77 2.606 13.220 -15.113 1.00 0.00 N ATOM 2699 CA VAL B 77 1.705 12.356 -14.289 1.00 0.00 C ATOM 2700 C VAL B 77 0.963 13.199 -13.259 1.00 0.00 C ATOM 2701 O VAL B 77 -0.188 12.962 -12.972 1.00 0.00 O ATOM 2702 CB VAL B 77 2.542 11.286 -13.553 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.737 9.994 -13.367 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.800 10.989 -14.356 1.00 0.00 C ATOM 0 H VAL B 77 3.595 12.976 -15.059 1.00 0.00 H new ATOM 0 HA VAL B 77 0.983 11.875 -14.949 1.00 0.00 H new ATOM 0 HB VAL B 77 2.809 11.671 -12.569 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.348 9.256 -12.847 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.843 10.204 -12.780 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.447 9.602 -14.342 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.392 10.234 -13.839 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.523 10.619 -15.343 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.387 11.901 -14.462 1.00 0.00 H new ATOM 2714 N SER B 78 1.617 14.154 -12.678 1.00 0.00 N ATOM 2715 CA SER B 78 0.929 14.976 -11.645 1.00 0.00 C ATOM 2716 C SER B 78 -0.191 15.783 -12.285 1.00 0.00 C ATOM 2717 O SER B 78 -1.237 15.979 -11.703 1.00 0.00 O ATOM 2718 CB SER B 78 1.914 15.930 -10.973 1.00 0.00 C ATOM 2719 OG SER B 78 1.189 16.998 -10.377 1.00 0.00 O ATOM 0 H SER B 78 2.588 14.404 -12.867 1.00 0.00 H new ATOM 0 HA SER B 78 0.515 14.304 -10.893 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.495 15.401 -10.217 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.622 16.318 -11.705 1.00 0.00 H new ATOM 0 HG SER B 78 1.227 17.785 -10.960 1.00 0.00 H new ATOM 2725 N MET B 79 0.036 16.290 -13.460 1.00 0.00 N ATOM 2726 CA MET B 79 -1.001 17.126 -14.124 1.00 0.00 C ATOM 2727 C MET B 79 -2.224 16.300 -14.509 1.00 0.00 C ATOM 2728 O MET B 79 -3.348 16.741 -14.360 1.00 0.00 O ATOM 2729 CB MET B 79 -0.393 17.747 -15.380 1.00 0.00 C ATOM 2730 CG MET B 79 0.643 18.806 -14.985 1.00 0.00 C ATOM 2731 SD MET B 79 1.786 19.074 -16.363 1.00 0.00 S ATOM 2732 CE MET B 79 0.542 19.265 -17.660 1.00 0.00 C ATOM 0 H MET B 79 0.897 16.162 -13.992 1.00 0.00 H new ATOM 0 HA MET B 79 -1.326 17.898 -13.427 1.00 0.00 H new ATOM 0 HB2 MET B 79 0.077 16.974 -15.988 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.176 18.200 -15.989 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.144 19.740 -14.725 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.192 18.482 -14.101 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.982 19.781 -18.513 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.188 18.282 -17.973 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.296 19.847 -17.277 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.034 15.116 -15.003 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.223 14.304 -15.388 1.00 0.00 C ATOM 2744 C VAL B 80 -3.966 13.867 -14.129 1.00 0.00 C ATOM 2745 O VAL B 80 -5.179 13.830 -14.089 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.811 13.062 -16.177 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.069 12.398 -16.738 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.890 13.455 -17.335 1.00 0.00 C ATOM 0 H VAL B 80 -1.126 14.677 -15.157 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.867 14.919 -16.017 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.279 12.374 -15.520 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.790 11.509 -17.304 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.727 12.113 -15.917 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.588 13.097 -17.393 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.603 12.562 -17.890 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.414 14.143 -17.999 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -0.997 13.940 -16.941 1.00 0.00 H new ATOM 2758 N THR B 81 -3.243 13.525 -13.108 1.00 0.00 N ATOM 2759 CA THR B 81 -3.897 13.074 -11.848 1.00 0.00 C ATOM 2760 C THR B 81 -4.778 14.195 -11.327 1.00 0.00 C ATOM 2761 O THR B 81 -5.868 13.977 -10.848 1.00 0.00 O ATOM 2762 CB THR B 81 -2.847 12.719 -10.802 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.019 11.678 -11.294 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.548 12.264 -9.519 1.00 0.00 C ATOM 0 H THR B 81 -2.223 13.537 -13.087 1.00 0.00 H new ATOM 0 HA THR B 81 -4.498 12.187 -12.050 1.00 0.00 H new ATOM 0 HB THR B 81 -2.231 13.592 -10.588 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.345 12.054 -11.898 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.801 12.009 -8.767 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.180 13.069 -9.144 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.163 11.389 -9.731 1.00 0.00 H new ATOM 2772 N THR B 82 -4.305 15.399 -11.423 1.00 0.00 N ATOM 2773 CA THR B 82 -5.098 16.555 -10.945 1.00 0.00 C ATOM 2774 C THR B 82 -6.464 16.491 -11.628 1.00 0.00 C ATOM 2775 O THR B 82 -7.493 16.753 -11.031 1.00 0.00 O ATOM 2776 CB THR B 82 -4.353 17.836 -11.333 1.00 0.00 C ATOM 2777 OG1 THR B 82 -2.973 17.683 -11.028 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.902 19.024 -10.549 1.00 0.00 C ATOM 0 H THR B 82 -3.394 15.634 -11.816 1.00 0.00 H new ATOM 0 HA THR B 82 -5.233 16.540 -9.864 1.00 0.00 H new ATOM 0 HB THR B 82 -4.488 18.015 -12.400 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.874 17.117 -10.234 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.364 19.928 -10.834 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.962 19.148 -10.771 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.773 18.846 -9.481 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.479 16.093 -12.870 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.768 15.952 -13.596 1.00 0.00 C ATOM 2788 C ALA B 83 -8.569 14.816 -12.945 1.00 0.00 C ATOM 2789 O ALA B 83 -9.776 14.867 -12.846 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.489 15.623 -15.069 1.00 0.00 C ATOM 0 H ALA B 83 -5.649 15.859 -13.414 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.337 16.880 -13.545 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.433 15.519 -15.604 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -6.905 16.427 -15.517 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -6.931 14.689 -15.134 1.00 0.00 H new ATOM 2796 N CYS B 84 -7.889 13.788 -12.502 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.585 12.631 -11.861 1.00 0.00 C ATOM 2798 C CYS B 84 -9.355 13.101 -10.624 1.00 0.00 C ATOM 2799 O CYS B 84 -10.449 12.646 -10.358 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.551 11.581 -11.445 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.394 10.036 -11.024 1.00 0.00 S ATOM 0 H CYS B 84 -6.874 13.701 -12.558 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.285 12.197 -12.575 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -6.843 11.412 -12.256 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -6.977 11.939 -10.590 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.516 9.144 -10.673 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.807 14.014 -9.867 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.533 14.502 -8.663 1.00 0.00 C ATOM 2809 C HIS B 85 -10.854 15.108 -9.113 1.00 0.00 C ATOM 2810 O HIS B 85 -11.881 14.926 -8.489 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.705 15.571 -7.950 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.461 16.057 -6.743 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -9.667 17.407 -6.491 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.082 15.386 -5.718 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.380 17.502 -5.354 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.659 16.301 -4.847 1.00 0.00 N ATOM 0 H HIS B 85 -7.894 14.439 -10.030 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.707 13.674 -7.976 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.741 15.161 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.502 16.402 -8.626 1.00 0.00 H new ATOM 0 HD1 HIS B 85 -9.338 18.185 -7.063 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -10.116 14.312 -5.607 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -10.688 18.436 -4.907 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.838 15.817 -10.202 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.095 16.422 -10.705 1.00 0.00 C ATOM 2827 C GLU B 86 -13.098 15.302 -10.987 1.00 0.00 C ATOM 2828 O GLU B 86 -14.278 15.431 -10.729 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.814 17.203 -11.990 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.093 17.904 -12.450 1.00 0.00 C ATOM 2831 CD GLU B 86 -12.808 18.702 -13.723 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.645 18.830 -14.070 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -13.757 19.172 -14.329 1.00 0.00 O ATOM 0 H GLU B 86 -10.008 16.003 -10.765 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.503 17.106 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.026 17.936 -11.818 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.456 16.528 -12.768 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -13.876 17.169 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -13.459 18.568 -11.666 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.634 14.196 -11.509 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.555 13.061 -11.801 1.00 0.00 C ATOM 2842 C PHE B 87 -13.786 12.266 -10.516 1.00 0.00 C ATOM 2843 O PHE B 87 -14.795 11.609 -10.355 1.00 0.00 O ATOM 2844 CB PHE B 87 -12.936 12.148 -12.870 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.145 12.747 -14.246 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -12.448 13.900 -14.619 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -14.034 12.145 -15.149 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -12.635 14.454 -15.891 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -14.220 12.699 -16.422 1.00 0.00 C ATOM 2850 CZ PHE B 87 -13.520 13.853 -16.792 1.00 0.00 C ATOM 0 H PHE B 87 -11.656 14.031 -11.745 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.504 13.446 -12.173 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -11.871 12.020 -12.678 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -13.390 11.158 -12.822 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -11.764 14.364 -13.924 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -14.575 11.255 -14.863 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -12.096 15.345 -16.177 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -14.904 12.236 -17.118 1.00 0.00 H new ATOM 0 HZ PHE B 87 -13.663 14.280 -17.774 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.861 12.327 -9.590 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.037 11.583 -8.312 1.00 0.00 C ATOM 2862 C PHE B 88 -13.755 12.508 -7.330 1.00 0.00 C ATOM 2863 O PHE B 88 -13.217 12.916 -6.319 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.658 11.166 -7.758 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.790 9.893 -6.939 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.458 9.915 -5.708 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.242 8.694 -7.415 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.579 8.741 -4.955 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.363 7.521 -6.661 1.00 0.00 C ATOM 2870 CZ PHE B 88 -12.031 7.544 -5.432 1.00 0.00 C ATOM 0 H PHE B 88 -11.995 12.860 -9.667 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.624 10.678 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.959 11.009 -8.580 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.249 11.965 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.880 10.838 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.726 8.675 -8.364 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -13.095 8.759 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.940 6.597 -7.028 1.00 0.00 H new ATOM 0 HZ PHE B 88 -12.124 6.638 -4.851 1.00 0.00 H new ATOM 3114 N ARG X 104 19.886 20.045 4.209 1.00 0.00 N ATOM 3115 CA ARG X 104 19.178 18.868 3.632 1.00 0.00 C ATOM 3116 C ARG X 104 18.050 19.354 2.710 1.00 0.00 C ATOM 3117 O ARG X 104 17.813 18.802 1.646 1.00 0.00 O ATOM 3118 CB ARG X 104 18.592 18.027 4.772 1.00 0.00 C ATOM 3119 CG ARG X 104 19.735 17.352 5.534 1.00 0.00 C ATOM 3120 CD ARG X 104 19.171 16.509 6.680 1.00 0.00 C ATOM 3121 NE ARG X 104 20.296 15.988 7.507 1.00 0.00 N ATOM 3122 CZ ARG X 104 20.071 15.540 8.713 1.00 0.00 C ATOM 3123 NH1 ARG X 104 18.862 15.561 9.206 1.00 0.00 N ATOM 3124 NH2 ARG X 104 21.060 15.078 9.429 1.00 0.00 N ATOM 0 HA ARG X 104 19.876 18.261 3.055 1.00 0.00 H new ATOM 0 HB2 ARG X 104 18.012 18.658 5.445 1.00 0.00 H new ATOM 0 HB3 ARG X 104 17.910 17.276 4.373 1.00 0.00 H new ATOM 0 HG2 ARG X 104 20.312 16.722 4.857 1.00 0.00 H new ATOM 0 HG3 ARG X 104 20.417 18.106 5.927 1.00 0.00 H new ATOM 0 HD2 ARG X 104 18.501 17.111 7.294 1.00 0.00 H new ATOM 0 HD3 ARG X 104 18.583 15.682 6.283 1.00 0.00 H new ATOM 0 HE ARG X 104 21.244 15.981 7.130 1.00 0.00 H new ATOM 0 HH11 ARG X 104 18.090 15.928 8.649 1.00 0.00 H new ATOM 0 HH12 ARG X 104 18.689 15.210 10.148 1.00 0.00 H new ATOM 0 HH21 ARG X 104 22.005 15.068 9.046 1.00 0.00 H new ATOM 0 HH22 ARG X 104 20.887 14.727 10.371 1.00 0.00 H new ATOM 3138 N HIS X 105 17.352 20.389 3.100 1.00 0.00 N ATOM 3139 CA HIS X 105 16.249 20.896 2.239 1.00 0.00 C ATOM 3140 C HIS X 105 16.830 21.303 0.885 1.00 0.00 C ATOM 3141 O HIS X 105 16.184 21.189 -0.137 1.00 0.00 O ATOM 3142 CB HIS X 105 15.564 22.104 2.900 1.00 0.00 C ATOM 3143 CG HIS X 105 16.459 23.315 2.845 1.00 0.00 C ATOM 3144 ND1 HIS X 105 16.895 24.081 1.792 1.00 0.00 N flip ATOM 3145 CD2 HIS X 105 17.019 23.882 3.982 1.00 0.00 C flip ATOM 3146 CE1 HIS X 105 17.709 25.103 2.267 1.00 0.00 C flip ATOM 3147 NE2 HIS X 105 17.754 24.939 3.589 1.00 0.00 N flip ATOM 0 H HIS X 105 17.498 20.900 3.971 1.00 0.00 H new ATOM 0 HA HIS X 105 15.504 20.112 2.104 1.00 0.00 H new ATOM 0 HB2 HIS X 105 14.623 22.317 2.394 1.00 0.00 H new ATOM 0 HB3 HIS X 105 15.323 21.870 3.937 1.00 0.00 H new ATOM 0 HD2 HIS X 105 16.889 23.538 4.997 1.00 0.00 H new ATOM 0 HE1 HIS X 105 18.202 25.869 1.687 1.00 0.00 H new ATOM 0 HE2 HIS X 105 18.280 25.540 4.224 1.00 0.00 H new ATOM 3156 N LYS X 106 18.048 21.767 0.871 1.00 0.00 N ATOM 3157 CA LYS X 106 18.669 22.172 -0.417 1.00 0.00 C ATOM 3158 C LYS X 106 18.709 20.962 -1.345 1.00 0.00 C ATOM 3159 O LYS X 106 18.600 21.088 -2.549 1.00 0.00 O ATOM 3160 CB LYS X 106 20.087 22.690 -0.181 1.00 0.00 C ATOM 3161 CG LYS X 106 20.640 23.230 -1.498 1.00 0.00 C ATOM 3162 CD LYS X 106 22.006 23.866 -1.261 1.00 0.00 C ATOM 3163 CE LYS X 106 22.536 24.404 -2.587 1.00 0.00 C ATOM 3164 NZ LYS X 106 23.828 25.111 -2.356 1.00 0.00 N ATOM 0 H LYS X 106 18.638 21.883 1.695 1.00 0.00 H new ATOM 0 HA LYS X 106 18.080 22.970 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS X 106 20.081 23.475 0.576 1.00 0.00 H new ATOM 0 HB3 LYS X 106 20.723 21.889 0.195 1.00 0.00 H new ATOM 0 HG2 LYS X 106 20.725 22.423 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS X 106 19.954 23.966 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS X 106 21.925 24.672 -0.532 1.00 0.00 H new ATOM 0 HD3 LYS X 106 22.698 23.131 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS X 106 22.678 23.586 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS X 106 21.811 25.086 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 24.189 25.478 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 23.678 25.901 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 24.519 24.448 -1.950 1.00 0.00 H new ATOM 3178 N LYS X 107 18.850 19.785 -0.801 1.00 0.00 N ATOM 3179 CA LYS X 107 18.880 18.579 -1.670 1.00 0.00 C ATOM 3180 C LYS X 107 17.559 18.523 -2.435 1.00 0.00 C ATOM 3181 O LYS X 107 17.523 18.205 -3.603 1.00 0.00 O ATOM 3182 CB LYS X 107 19.025 17.316 -0.811 1.00 0.00 C ATOM 3183 CG LYS X 107 19.058 16.081 -1.721 1.00 0.00 C ATOM 3184 CD LYS X 107 19.324 14.812 -0.894 1.00 0.00 C ATOM 3185 CE LYS X 107 18.022 14.306 -0.260 1.00 0.00 C ATOM 3186 NZ LYS X 107 17.041 13.987 -1.335 1.00 0.00 N ATOM 0 H LYS X 107 18.945 19.608 0.199 1.00 0.00 H new ATOM 0 HA LYS X 107 19.724 18.631 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS X 107 19.938 17.369 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS X 107 18.194 17.242 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS X 107 18.110 15.986 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS X 107 19.834 16.199 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS X 107 19.751 14.038 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS X 107 20.057 15.024 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS X 107 18.219 13.420 0.343 1.00 0.00 H new ATOM 0 HE3 LYS X 107 17.612 15.063 0.409 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 16.425 13.209 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 16.462 14.827 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 17.550 13.702 -2.196 1.00 0.00 H new ATOM 3200 N LEU X 108 16.475 18.843 -1.779 1.00 0.00 N ATOM 3201 CA LEU X 108 15.140 18.830 -2.458 1.00 0.00 C ATOM 3202 C LEU X 108 15.111 19.866 -3.601 1.00 0.00 C ATOM 3203 O LEU X 108 14.457 19.680 -4.615 1.00 0.00 O ATOM 3204 CB LEU X 108 14.050 19.154 -1.430 1.00 0.00 C ATOM 3205 CG LEU X 108 12.666 19.150 -2.097 1.00 0.00 C ATOM 3206 CD1 LEU X 108 12.371 17.770 -2.705 1.00 0.00 C ATOM 3207 CD2 LEU X 108 11.605 19.482 -1.041 1.00 0.00 C ATOM 0 H LEU X 108 16.454 19.115 -0.796 1.00 0.00 H new ATOM 0 HA LEU X 108 14.961 17.842 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU X 108 14.074 18.422 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU X 108 14.242 20.129 -0.982 1.00 0.00 H new ATOM 0 HG LEU X 108 12.647 19.894 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU X 108 11.387 17.782 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU X 108 13.127 17.533 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU X 108 12.389 17.015 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU X 108 10.618 19.482 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU X 108 11.634 18.734 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU X 108 11.807 20.466 -0.619 1.00 0.00 H new ATOM 3219 N MET X 109 15.790 20.965 -3.442 1.00 0.00 N ATOM 3220 CA MET X 109 15.789 22.007 -4.511 1.00 0.00 C ATOM 3221 C MET X 109 16.404 21.442 -5.800 1.00 0.00 C ATOM 3222 O MET X 109 16.144 21.934 -6.880 1.00 0.00 O ATOM 3223 CB MET X 109 16.582 23.240 -4.042 1.00 0.00 C ATOM 3224 CG MET X 109 15.696 24.126 -3.156 1.00 0.00 C ATOM 3225 SD MET X 109 15.295 23.245 -1.627 1.00 0.00 S ATOM 3226 CE MET X 109 13.629 23.916 -1.395 1.00 0.00 C ATOM 0 H MET X 109 16.347 21.190 -2.618 1.00 0.00 H new ATOM 0 HA MET X 109 14.760 22.304 -4.715 1.00 0.00 H new ATOM 0 HB2 MET X 109 17.466 22.925 -3.488 1.00 0.00 H new ATOM 0 HB3 MET X 109 16.932 23.808 -4.904 1.00 0.00 H new ATOM 0 HG2 MET X 109 16.211 25.059 -2.926 1.00 0.00 H new ATOM 0 HG3 MET X 109 14.781 24.390 -3.687 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.190 23.496 -0.490 1.00 0.00 H new ATOM 0 HE2 MET X 109 13.683 25.001 -1.302 1.00 0.00 H new ATOM 0 HE3 MET X 109 13.009 23.656 -2.253 1.00 0.00 H new ATOM 3236 N PHE X 110 17.239 20.438 -5.700 1.00 0.00 N ATOM 3237 CA PHE X 110 17.884 19.880 -6.923 1.00 0.00 C ATOM 3238 C PHE X 110 16.837 19.688 -8.024 1.00 0.00 C ATOM 3239 O PHE X 110 17.112 19.897 -9.189 1.00 0.00 O ATOM 3240 CB PHE X 110 18.600 18.554 -6.581 1.00 0.00 C ATOM 3241 CG PHE X 110 17.649 17.364 -6.578 1.00 0.00 C ATOM 3242 CD1 PHE X 110 16.413 17.433 -5.922 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.024 16.175 -7.223 1.00 0.00 C ATOM 3244 CE1 PHE X 110 15.557 16.326 -5.912 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.166 15.070 -7.212 1.00 0.00 C ATOM 3246 CZ PHE X 110 15.932 15.146 -6.557 1.00 0.00 C ATOM 0 H PHE X 110 17.500 19.983 -4.825 1.00 0.00 H new ATOM 0 HA PHE X 110 18.634 20.579 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE X 110 19.396 18.377 -7.304 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.072 18.641 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE X 110 16.120 18.344 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.976 16.113 -7.729 1.00 0.00 H new ATOM 0 HE1 PHE X 110 14.605 16.385 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.457 14.157 -7.710 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.270 14.293 -6.550 1.00 0.00 H new ATOM 3256 N LYS X 111 15.634 19.319 -7.676 1.00 0.00 N ATOM 3257 CA LYS X 111 14.585 19.154 -8.720 1.00 0.00 C ATOM 3258 C LYS X 111 14.042 20.535 -9.097 1.00 0.00 C ATOM 3259 O LYS X 111 13.720 20.789 -10.240 1.00 0.00 O ATOM 3260 CB LYS X 111 13.455 18.236 -8.194 1.00 0.00 C ATOM 3261 CG LYS X 111 12.946 17.290 -9.314 1.00 0.00 C ATOM 3262 CD LYS X 111 13.672 15.932 -9.264 1.00 0.00 C ATOM 3263 CE LYS X 111 15.195 16.103 -9.372 1.00 0.00 C ATOM 3264 NZ LYS X 111 15.540 16.689 -10.697 1.00 0.00 N ATOM 0 H LYS X 111 15.334 19.126 -6.720 1.00 0.00 H new ATOM 0 HA LYS X 111 15.010 18.685 -9.608 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.821 17.647 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS X 111 12.630 18.844 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS X 111 11.872 17.136 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.104 17.755 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS X 111 13.427 15.422 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.317 15.299 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS X 111 15.556 16.750 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS X 111 15.689 15.139 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 16.015 15.971 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 14.671 17.004 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 16.175 17.502 -10.562 1.00 0.00 H new ATOM 3278 N THR X 112 13.949 21.439 -8.156 1.00 0.00 N ATOM 3279 CA THR X 112 13.440 22.795 -8.510 1.00 0.00 C ATOM 3280 C THR X 112 14.360 23.371 -9.585 1.00 0.00 C ATOM 3281 O THR X 112 13.939 24.108 -10.456 1.00 0.00 O ATOM 3282 CB THR X 112 13.453 23.711 -7.282 1.00 0.00 C ATOM 3283 OG1 THR X 112 14.787 23.869 -6.822 1.00 0.00 O ATOM 3284 CG2 THR X 112 12.598 23.099 -6.172 1.00 0.00 C ATOM 0 H THR X 112 14.198 21.301 -7.177 1.00 0.00 H new ATOM 0 HA THR X 112 12.414 22.724 -8.871 1.00 0.00 H new ATOM 0 HB THR X 112 13.045 24.684 -7.555 1.00 0.00 H new ATOM 0 HG1 THR X 112 15.320 23.091 -7.089 1.00 0.00 H new ATOM 0 HG21 THR X 112 12.610 23.754 -5.301 1.00 0.00 H new ATOM 0 HG22 THR X 112 11.573 22.983 -6.524 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.000 22.124 -5.899 1.00 0.00 H new ATOM 3292 N GLU X 113 15.617 23.019 -9.536 1.00 0.00 N ATOM 3293 CA GLU X 113 16.576 23.518 -10.556 1.00 0.00 C ATOM 3294 CB GLU X 113 16.272 22.844 -11.896 1.00 0.00 C ATOM 3295 CG GLU X 113 16.559 21.343 -11.792 1.00 0.00 C ATOM 3296 CD GLU X 113 16.233 20.667 -13.125 1.00 0.00 C ATOM 3297 OE1 GLU X 113 15.072 20.362 -13.342 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.149 20.468 -13.906 1.00 0.00 O ATOM 0 H GLU X 113 16.020 22.404 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU X 113 15.229 23.007 -12.169 1.00 0.00 H new ATOM 0 HB3 GLU X 113 16.881 23.287 -12.684 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.606 21.179 -11.536 1.00 0.00 H new ATOM 0 HG3 GLU X 113 15.962 20.902 -10.993 1.00 0.00 H new ATOM 3493 N ARG Y 104 -10.381 17.100 -28.187 1.00 0.00 N ATOM 3494 CA ARG Y 104 -10.324 16.450 -26.848 1.00 0.00 C ATOM 3495 C ARG Y 104 -8.945 16.700 -26.218 1.00 0.00 C ATOM 3496 O ARG Y 104 -8.823 16.953 -25.029 1.00 0.00 O ATOM 3497 CB ARG Y 104 -10.558 14.947 -27.006 1.00 0.00 C ATOM 3498 CG ARG Y 104 -12.017 14.700 -27.397 1.00 0.00 C ATOM 3499 CD ARG Y 104 -12.261 13.201 -27.584 1.00 0.00 C ATOM 3500 NE ARG Y 104 -13.636 12.989 -28.116 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -13.961 11.850 -28.667 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -13.081 10.890 -28.761 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -15.169 11.674 -29.131 1.00 0.00 N ATOM 0 HA ARG Y 104 -11.095 16.869 -26.201 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -9.892 14.542 -27.768 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.327 14.431 -26.074 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -12.680 15.092 -26.626 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -12.250 15.233 -28.319 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -11.525 12.784 -28.271 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -12.142 12.680 -26.634 1.00 0.00 H new ATOM 0 HE ARG Y 104 -14.327 13.736 -28.050 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -12.136 11.028 -28.403 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -13.339 10.002 -29.192 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -15.856 12.425 -29.063 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -15.425 10.786 -29.562 1.00 0.00 H new ATOM 3517 N HIS Y 105 -7.903 16.635 -27.001 1.00 0.00 N ATOM 3518 CA HIS Y 105 -6.547 16.869 -26.436 1.00 0.00 C ATOM 3519 C HIS Y 105 -6.499 18.273 -25.838 1.00 0.00 C ATOM 3520 O HIS Y 105 -5.815 18.522 -24.867 1.00 0.00 O ATOM 3521 CB HIS Y 105 -5.483 16.728 -27.533 1.00 0.00 C ATOM 3522 CG HIS Y 105 -5.527 17.909 -28.473 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -5.234 19.238 -28.288 1.00 0.00 N flip ATOM 3524 CD2 HIS Y 105 -5.915 17.788 -29.800 1.00 0.00 C flip ATOM 3525 CE1 HIS Y 105 -5.439 19.928 -29.477 1.00 0.00 C flip ATOM 3526 NE2 HIS Y 105 -5.851 19.013 -30.355 1.00 0.00 N flip ATOM 0 H HIS Y 105 -7.932 16.431 -28.000 1.00 0.00 H new ATOM 0 HA HIS Y 105 -6.341 16.130 -25.661 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -4.494 16.654 -27.080 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -5.648 15.806 -28.091 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -6.214 16.877 -30.297 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -5.295 20.984 -29.653 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -6.088 19.216 -31.326 1.00 0.00 H new ATOM 3535 N LYS Y 106 -7.231 19.190 -26.406 1.00 0.00 N ATOM 3536 CA LYS Y 106 -7.233 20.572 -25.864 1.00 0.00 C ATOM 3537 C LYS Y 106 -7.721 20.532 -24.420 1.00 0.00 C ATOM 3538 O LYS Y 106 -7.302 21.317 -23.594 1.00 0.00 O ATOM 3539 CB LYS Y 106 -8.154 21.464 -26.691 1.00 0.00 C ATOM 3540 CG LYS Y 106 -8.001 22.905 -26.210 1.00 0.00 C ATOM 3541 CD LYS Y 106 -8.832 23.835 -27.089 1.00 0.00 C ATOM 3542 CE LYS Y 106 -8.652 25.269 -26.597 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -9.373 26.205 -27.507 1.00 0.00 N ATOM 0 H LYS Y 106 -7.826 19.040 -27.221 1.00 0.00 H new ATOM 0 HA LYS Y 106 -6.223 20.980 -25.908 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -7.902 21.390 -27.749 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -9.189 21.139 -26.586 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -8.323 22.987 -25.172 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -6.952 23.200 -26.243 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -8.518 23.751 -28.129 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -9.884 23.552 -27.049 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -9.035 25.366 -25.581 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -7.592 25.522 -26.564 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -9.249 27.181 -27.170 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -8.988 26.119 -28.469 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -10.386 25.968 -27.517 1.00 0.00 H new ATOM 3557 N LYS Y 107 -8.595 19.616 -24.101 1.00 0.00 N ATOM 3558 CA LYS Y 107 -9.084 19.538 -22.698 1.00 0.00 C ATOM 3559 C LYS Y 107 -7.879 19.286 -21.796 1.00 0.00 C ATOM 3560 O LYS Y 107 -7.769 19.847 -20.728 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.077 18.379 -22.555 1.00 0.00 C ATOM 3562 CG LYS Y 107 -10.574 18.308 -21.103 1.00 0.00 C ATOM 3563 CD LYS Y 107 -11.665 17.231 -20.964 1.00 0.00 C ATOM 3564 CE LYS Y 107 -11.028 15.842 -20.821 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -10.173 15.812 -19.599 1.00 0.00 N ATOM 0 H LYS Y 107 -8.987 18.927 -24.743 1.00 0.00 H new ATOM 0 HA LYS Y 107 -9.586 20.465 -22.422 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -10.919 18.521 -23.232 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -9.599 17.440 -22.834 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -9.742 18.080 -20.437 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -10.969 19.277 -20.799 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -12.287 17.444 -20.095 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.318 17.251 -21.836 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -11.804 15.079 -20.754 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -10.430 15.612 -21.703 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -10.377 14.950 -19.054 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -9.171 15.817 -19.876 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -10.374 16.648 -19.014 1.00 0.00 H new ATOM 3579 N LEU Y 108 -6.971 18.453 -22.229 1.00 0.00 N ATOM 3580 CA LEU Y 108 -5.749 18.165 -21.409 1.00 0.00 C ATOM 3581 C LEU Y 108 -4.911 19.447 -21.226 1.00 0.00 C ATOM 3582 O LEU Y 108 -4.263 19.647 -20.211 1.00 0.00 O ATOM 3583 CB LEU Y 108 -4.912 17.086 -22.108 1.00 0.00 C ATOM 3584 CG LEU Y 108 -3.645 16.771 -21.296 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -4.019 16.246 -19.902 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -2.831 15.704 -22.036 1.00 0.00 C ATOM 0 H LEU Y 108 -7.020 17.956 -23.118 1.00 0.00 H new ATOM 0 HA LEU Y 108 -6.054 17.809 -20.425 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -5.506 16.180 -22.231 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -4.635 17.423 -23.107 1.00 0.00 H new ATOM 0 HG LEU Y 108 -3.058 17.683 -21.183 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -3.111 16.028 -19.340 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -4.601 17.001 -19.373 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -4.611 15.336 -20.003 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -1.930 15.474 -21.467 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -3.431 14.801 -22.147 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -2.552 16.077 -23.021 1.00 0.00 H new ATOM 3598 N MET Y 109 -4.898 20.310 -22.201 1.00 0.00 N ATOM 3599 CA MET Y 109 -4.097 21.563 -22.080 1.00 0.00 C ATOM 3600 C MET Y 109 -4.623 22.415 -20.916 1.00 0.00 C ATOM 3601 O MET Y 109 -3.910 23.237 -20.374 1.00 0.00 O ATOM 3602 CB MET Y 109 -4.168 22.361 -23.394 1.00 0.00 C ATOM 3603 CG MET Y 109 -3.162 21.794 -24.405 1.00 0.00 C ATOM 3604 SD MET Y 109 -3.654 20.117 -24.874 1.00 0.00 S ATOM 3605 CE MET Y 109 -1.992 19.430 -25.079 1.00 0.00 C ATOM 0 H MET Y 109 -5.407 20.204 -23.078 1.00 0.00 H new ATOM 0 HA MET Y 109 -3.058 21.301 -21.881 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -5.176 22.312 -23.805 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -3.952 23.412 -23.203 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -3.119 22.432 -25.288 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -2.162 21.783 -23.971 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.065 18.383 -25.373 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -1.460 19.988 -25.850 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -1.449 19.505 -24.137 1.00 0.00 H new ATOM 3615 N PHE Y 110 -5.868 22.253 -20.543 1.00 0.00 N ATOM 3616 CA PHE Y 110 -6.428 23.083 -19.439 1.00 0.00 C ATOM 3617 C PHE Y 110 -5.443 23.121 -18.267 1.00 0.00 C ATOM 3618 O PHE Y 110 -5.290 24.134 -17.614 1.00 0.00 O ATOM 3619 CB PHE Y 110 -7.805 22.530 -19.007 1.00 0.00 C ATOM 3620 CG PHE Y 110 -7.684 21.363 -18.033 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -6.788 20.313 -18.276 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.495 21.328 -16.889 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -6.698 19.242 -17.381 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.404 20.254 -15.995 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.505 19.212 -16.242 1.00 0.00 C ATOM 0 H PHE Y 110 -6.517 21.583 -20.955 1.00 0.00 H new ATOM 0 HA PHE Y 110 -6.575 24.105 -19.788 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -8.385 23.328 -18.543 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -8.357 22.207 -19.890 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -6.165 20.331 -19.158 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.191 22.131 -16.697 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -6.003 18.437 -17.571 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.029 20.231 -15.114 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.435 18.384 -15.552 1.00 0.00 H new ATOM 3635 N LYS Y 111 -4.751 22.046 -18.006 1.00 0.00 N ATOM 3636 CA LYS Y 111 -3.765 22.061 -16.894 1.00 0.00 C ATOM 3637 C LYS Y 111 -2.487 22.762 -17.369 1.00 0.00 C ATOM 3638 O LYS Y 111 -1.829 23.444 -16.609 1.00 0.00 O ATOM 3639 CB LYS Y 111 -3.465 20.615 -16.433 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.322 20.547 -14.889 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.661 20.167 -14.230 1.00 0.00 C ATOM 3642 CE LYS Y 111 -5.776 21.155 -14.607 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -5.441 22.515 -14.092 1.00 0.00 N ATOM 0 H LYS Y 111 -4.826 21.164 -18.512 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.173 22.607 -16.043 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.266 19.951 -16.758 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -2.548 20.261 -16.904 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -2.560 19.815 -14.622 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.985 21.511 -14.508 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -4.946 19.161 -14.537 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.542 20.148 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.897 21.186 -15.690 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -6.726 20.822 -14.190 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -6.137 22.794 -13.371 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -4.491 22.502 -13.670 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -5.462 23.198 -14.876 1.00 0.00 H new ATOM 3657 N THR Y 112 -2.130 22.614 -18.620 1.00 0.00 N ATOM 3658 CA THR Y 112 -0.898 23.303 -19.101 1.00 0.00 C ATOM 3659 C THR Y 112 -1.094 24.803 -18.900 1.00 0.00 C ATOM 3660 O THR Y 112 -0.162 25.541 -18.649 1.00 0.00 O ATOM 3661 CB THR Y 112 -0.673 23.018 -20.590 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -1.767 23.526 -21.337 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.547 21.511 -20.826 1.00 0.00 C ATOM 0 H THR Y 112 -2.627 22.058 -19.315 1.00 0.00 H new ATOM 0 HA THR Y 112 -0.031 22.944 -18.546 1.00 0.00 H new ATOM 0 HB THR Y 112 0.248 23.504 -20.911 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -2.587 23.456 -20.805 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.387 21.321 -21.887 1.00 0.00 H new ATOM 0 HG22 THR Y 112 0.298 21.123 -20.257 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -1.462 21.014 -20.502 1.00 0.00 H new ATOM 3671 N GLU Y 113 -2.315 25.252 -18.990 1.00 0.00 N ATOM 3672 CA GLU Y 113 -2.601 26.698 -18.789 1.00 0.00 C ATOM 3673 CB GLU Y 113 -2.439 27.036 -17.306 1.00 0.00 C ATOM 3674 CG GLU Y 113 -3.495 26.282 -16.492 1.00 0.00 C ATOM 3675 CD GLU Y 113 -3.319 26.604 -15.008 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -2.504 25.954 -14.374 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -4.004 27.492 -14.530 1.00 0.00 O ATOM 0 H GLU Y 113 -3.131 24.675 -19.195 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -1.440 26.763 -16.967 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -2.545 28.110 -17.153 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -4.495 26.566 -16.821 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.399 25.209 -16.656 1.00 0.00 H new