USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 860 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 59 ASN : amide:sc= -1.14 K(o=-1.3,f=-6.9!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.137 K(o=-1.3,f=-4) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 SER OG : rot -109:sc= 0.0894 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -1.95 X(o=-1.9,f=-1.8) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -146:sc= 0.674 (180deg=-0.121) USER MOD Set 3.2: A 40 TYR OH : rot -153:sc= 1.08 USER MOD Set 4.1: A 16 SER OG : rot 180:sc= -0.23 USER MOD Set 4.2: A 56 GLN : amide:sc= 1.46 K(o=1.2,f=-3.7!) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00696 USER MOD Single : A 4 ASN : amide:sc= 0.73 K(o=0.73,f=-0.59) USER MOD Single : A 6 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 7 ASN : amide:sc= -1.01 K(o=-1,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -144:sc= -0.302 (180deg=-1.07) USER MOD Single : A 15 ASN : amide:sc= 0.585 K(o=0.59,f=-0.093) USER MOD Single : A 22 ASN : amide:sc= 0.54 K(o=0.54,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.59) USER MOD Single : A 25 THR OG1 : rot -7:sc= 0.961 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.892 (180deg=0.883) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00923) USER MOD Single : A 46 CYS SG : rot 26:sc= -0.817 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -27:sc= 0.111 USER MOD Single : A 74 MET CE :methyl 163:sc= -1.18 (180deg=-1.26) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.114 F(o=-1,f=-0.11) USER MOD Single : A 83 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 2.4 (180deg=2.12) USER MOD Single : A 91 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.042) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc=-0.00419 (180deg=-0.137) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -0.0193 (180deg=-0.176) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -164:sc= -0.0282 (180deg=-0.383) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -42:sc= 0.74 USER MOD Single : B 1 U O5' : rot 26:sc= 1.2 USER MOD Single : B 2 U O2' : rot 22:sc= 0.132 USER MOD Single : B 3 U O2' : rot -19:sc= 0.798 USER MOD Single : B 4 U O2' : rot 146:sc= 0.739 USER MOD Single : B 5 C O2' : rot 180:sc= 0 USER MOD Single : B 5 C O3' : rot 136:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.836 8.265 -5.613 1.00 0.00 N ATOM 2 CA ALA A 2 9.667 9.016 -5.112 1.00 0.00 C ATOM 3 C ALA A 2 9.955 9.606 -3.733 1.00 0.00 C ATOM 4 O ALA A 2 11.003 9.334 -3.147 1.00 0.00 O ATOM 5 CB ALA A 2 8.429 8.112 -5.069 1.00 0.00 C ATOM 0 HA ALA A 2 9.467 9.840 -5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.576 8.680 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.211 7.745 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.618 7.267 -4.407 1.00 0.00 H new ATOM 13 N SER A 3 9.027 10.417 -3.210 1.00 0.00 N ATOM 14 CA SER A 3 9.172 11.020 -1.893 1.00 0.00 C ATOM 15 C SER A 3 9.153 9.949 -0.804 1.00 0.00 C ATOM 16 O SER A 3 8.673 8.837 -1.028 1.00 0.00 O ATOM 17 CB SER A 3 8.045 12.028 -1.665 1.00 0.00 C ATOM 18 OG SER A 3 8.219 12.683 -0.427 1.00 0.00 O ATOM 0 H SER A 3 8.162 10.668 -3.690 1.00 0.00 H new ATOM 0 HA SER A 3 10.131 11.535 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.033 12.760 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.082 11.518 -1.682 1.00 0.00 H new ATOM 0 HG SER A 3 7.493 13.327 -0.293 1.00 0.00 H new ATOM 24 N ASN A 4 9.675 10.284 0.376 1.00 0.00 N ATOM 25 CA ASN A 4 9.689 9.385 1.522 1.00 0.00 C ATOM 26 C ASN A 4 8.451 9.582 2.396 1.00 0.00 C ATOM 27 O ASN A 4 8.327 8.942 3.440 1.00 0.00 O ATOM 28 CB ASN A 4 10.983 9.601 2.310 1.00 0.00 C ATOM 29 CG ASN A 4 11.111 11.036 2.806 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.629 11.898 2.101 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.641 11.305 4.018 1.00 0.00 N ATOM 0 H ASN A 4 10.101 11.192 0.561 1.00 0.00 H new ATOM 0 HA ASN A 4 9.659 8.353 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.009 8.919 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.838 9.357 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.704 12.252 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.217 10.564 4.576 1.00 0.00 H new ATOM 38 N VAL A 5 7.534 10.465 1.981 1.00 0.00 N ATOM 39 CA VAL A 5 6.351 10.799 2.763 1.00 0.00 C ATOM 40 C VAL A 5 5.126 10.035 2.270 1.00 0.00 C ATOM 41 O VAL A 5 4.887 9.943 1.067 1.00 0.00 O ATOM 42 CB VAL A 5 6.142 12.314 2.745 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.906 12.705 3.553 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.360 13.006 3.360 1.00 0.00 C ATOM 0 H VAL A 5 7.597 10.964 1.094 1.00 0.00 H new ATOM 0 HA VAL A 5 6.502 10.490 3.797 1.00 0.00 H new ATOM 0 HB VAL A 5 6.006 12.624 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.780 13.787 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.025 12.226 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.030 12.382 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.210 14.086 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.488 12.670 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.250 12.756 2.783 1.00 0.00 H new ATOM 54 N THR A 6 4.354 9.490 3.216 1.00 0.00 N ATOM 55 CA THR A 6 3.169 8.684 2.934 1.00 0.00 C ATOM 56 C THR A 6 2.113 8.804 4.037 1.00 0.00 C ATOM 57 O THR A 6 1.143 8.052 4.019 1.00 0.00 O ATOM 58 CB THR A 6 3.551 7.206 2.782 1.00 0.00 C ATOM 59 OG1 THR A 6 4.179 6.748 3.956 1.00 0.00 O ATOM 60 CG2 THR A 6 4.509 6.957 1.620 1.00 0.00 C ATOM 0 H THR A 6 4.540 9.600 4.213 1.00 0.00 H new ATOM 0 HA THR A 6 2.746 9.064 2.004 1.00 0.00 H new ATOM 0 HB THR A 6 2.621 6.671 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.503 6.588 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.743 5.894 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.042 7.277 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.427 7.523 1.778 1.00 0.00 H new ATOM 68 N ASN A 7 2.264 9.719 5.003 1.00 0.00 N ATOM 69 CA ASN A 7 1.365 9.762 6.155 1.00 0.00 C ATOM 70 C ASN A 7 0.344 10.904 6.125 1.00 0.00 C ATOM 71 O ASN A 7 -0.199 11.267 7.168 1.00 0.00 O ATOM 72 CB ASN A 7 2.169 9.700 7.456 1.00 0.00 C ATOM 73 CG ASN A 7 2.943 10.977 7.756 1.00 0.00 C ATOM 74 OD1 ASN A 7 2.813 11.988 7.070 1.00 0.00 O ATOM 75 ND2 ASN A 7 3.762 10.935 8.803 1.00 0.00 N ATOM 0 H ASN A 7 2.994 10.432 5.007 1.00 0.00 H new ATOM 0 HA ASN A 7 0.740 8.871 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.490 9.494 8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.868 8.866 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.306 11.759 9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.846 10.079 9.351 1.00 0.00 H new ATOM 82 N LYS A 8 0.075 11.478 4.945 1.00 0.00 N ATOM 83 CA LYS A 8 -0.916 12.539 4.806 1.00 0.00 C ATOM 84 C LYS A 8 -2.305 11.979 5.094 1.00 0.00 C ATOM 85 O LYS A 8 -2.629 10.865 4.680 1.00 0.00 O ATOM 86 CB LYS A 8 -0.840 13.146 3.405 1.00 0.00 C ATOM 87 CG LYS A 8 0.538 13.781 3.196 1.00 0.00 C ATOM 88 CD LYS A 8 0.578 14.566 1.884 1.00 0.00 C ATOM 89 CE LYS A 8 0.336 13.648 0.687 1.00 0.00 C ATOM 90 NZ LYS A 8 0.403 14.397 -0.579 1.00 0.00 N ATOM 0 H LYS A 8 0.535 11.220 4.072 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.710 13.332 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.015 12.376 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.621 13.896 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.768 14.444 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.304 13.005 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.178 15.351 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.545 15.057 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.079 12.850 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.641 13.173 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.235 13.749 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.322 15.142 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.344 14.829 -0.677 1.00 0.00 H new ATOM 104 N THR A 9 -3.132 12.748 5.803 1.00 0.00 N ATOM 105 CA THR A 9 -4.433 12.284 6.278 1.00 0.00 C ATOM 106 C THR A 9 -5.606 12.952 5.564 1.00 0.00 C ATOM 107 O THR A 9 -6.738 12.882 6.042 1.00 0.00 O ATOM 108 CB THR A 9 -4.544 12.465 7.794 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.395 13.828 8.129 1.00 0.00 O ATOM 110 CG2 THR A 9 -3.468 11.663 8.520 1.00 0.00 C ATOM 0 H THR A 9 -2.917 13.711 6.064 1.00 0.00 H new ATOM 0 HA THR A 9 -4.494 11.223 6.038 1.00 0.00 H new ATOM 0 HB THR A 9 -5.526 12.107 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.469 13.936 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.569 11.809 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.582 10.605 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.483 12.002 8.199 1.00 0.00 H new ATOM 118 N ASP A 10 -5.355 13.601 4.424 1.00 0.00 N ATOM 119 CA ASP A 10 -6.417 14.232 3.654 1.00 0.00 C ATOM 120 C ASP A 10 -7.397 13.171 3.141 1.00 0.00 C ATOM 121 O ASP A 10 -7.003 12.025 2.912 1.00 0.00 O ATOM 122 CB ASP A 10 -5.811 15.029 2.493 1.00 0.00 C ATOM 123 CG ASP A 10 -4.866 16.114 3.001 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.371 17.201 3.352 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.646 15.843 3.034 1.00 0.00 O ATOM 0 H ASP A 10 -4.424 13.700 4.018 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.969 14.921 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.271 14.355 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.609 15.484 1.906 1.00 0.00 H new ATOM 130 N PRO A 11 -8.674 13.535 2.956 1.00 0.00 N ATOM 131 CA PRO A 11 -9.729 12.609 2.571 1.00 0.00 C ATOM 132 C PRO A 11 -9.511 12.013 1.178 1.00 0.00 C ATOM 133 O PRO A 11 -10.260 11.126 0.776 1.00 0.00 O ATOM 134 CB PRO A 11 -11.020 13.425 2.630 1.00 0.00 C ATOM 135 CG PRO A 11 -10.551 14.860 2.401 1.00 0.00 C ATOM 136 CD PRO A 11 -9.202 14.875 3.115 1.00 0.00 C ATOM 0 HA PRO A 11 -9.754 11.749 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.729 13.109 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.519 13.316 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.453 15.092 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.244 15.587 2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.533 15.616 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.317 15.131 4.168 1.00 0.00 H new ATOM 144 N ARG A 12 -8.500 12.488 0.442 1.00 0.00 N ATOM 145 CA ARG A 12 -8.168 11.961 -0.875 1.00 0.00 C ATOM 146 C ARG A 12 -6.785 11.316 -0.836 1.00 0.00 C ATOM 147 O ARG A 12 -6.554 10.306 -1.492 1.00 0.00 O ATOM 148 CB ARG A 12 -8.247 13.107 -1.891 1.00 0.00 C ATOM 149 CG ARG A 12 -8.688 12.647 -3.282 1.00 0.00 C ATOM 150 CD ARG A 12 -7.687 11.715 -3.962 1.00 0.00 C ATOM 151 NE ARG A 12 -6.342 12.295 -4.012 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.928 13.181 -4.925 1.00 0.00 C ATOM 153 NH1 ARG A 12 -6.737 13.588 -5.902 1.00 0.00 N ATOM 154 NH2 ARG A 12 -4.691 13.664 -4.858 1.00 0.00 N ATOM 0 H ARG A 12 -7.893 13.248 0.748 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.874 11.187 -1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.945 13.861 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.271 13.586 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.648 12.138 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.844 13.522 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.653 10.767 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.025 11.497 -4.975 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.673 12.002 -3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.688 13.224 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.406 14.264 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.064 13.359 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.369 14.340 -5.551 1.00 0.00 H new ATOM 168 N SER A 13 -5.865 11.900 -0.064 1.00 0.00 N ATOM 169 CA SER A 13 -4.509 11.381 0.039 1.00 0.00 C ATOM 170 C SER A 13 -4.477 10.064 0.803 1.00 0.00 C ATOM 171 O SER A 13 -3.557 9.272 0.614 1.00 0.00 O ATOM 172 CB SER A 13 -3.611 12.412 0.721 1.00 0.00 C ATOM 173 OG SER A 13 -3.627 13.616 -0.021 1.00 0.00 O ATOM 0 H SER A 13 -6.040 12.733 0.498 1.00 0.00 H new ATOM 0 HA SER A 13 -4.138 11.190 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.957 12.595 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.592 12.031 0.794 1.00 0.00 H new ATOM 0 HG SER A 13 -3.052 14.278 0.417 1.00 0.00 H new ATOM 179 N MET A 14 -5.466 9.811 1.668 1.00 0.00 N ATOM 180 CA MET A 14 -5.528 8.549 2.386 1.00 0.00 C ATOM 181 C MET A 14 -6.338 7.497 1.626 1.00 0.00 C ATOM 182 O MET A 14 -6.525 6.388 2.118 1.00 0.00 O ATOM 183 CB MET A 14 -5.989 8.774 3.828 1.00 0.00 C ATOM 184 CG MET A 14 -7.506 8.850 3.982 1.00 0.00 C ATOM 185 SD MET A 14 -8.045 9.043 5.705 1.00 0.00 S ATOM 186 CE MET A 14 -7.271 7.587 6.466 1.00 0.00 C ATOM 0 H MET A 14 -6.223 10.461 1.881 1.00 0.00 H new ATOM 0 HA MET A 14 -4.523 8.131 2.448 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.609 7.965 4.452 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.548 9.698 4.201 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.882 9.688 3.395 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.952 7.945 3.568 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.929 7.186 7.237 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.099 6.826 5.704 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.320 7.873 6.914 1.00 0.00 H new ATOM 196 N ASN A 15 -6.819 7.841 0.425 1.00 0.00 N ATOM 197 CA ASN A 15 -7.494 6.902 -0.461 1.00 0.00 C ATOM 198 C ASN A 15 -6.667 6.667 -1.721 1.00 0.00 C ATOM 199 O ASN A 15 -6.819 5.634 -2.372 1.00 0.00 O ATOM 200 CB ASN A 15 -8.899 7.408 -0.790 1.00 0.00 C ATOM 201 CG ASN A 15 -9.839 7.200 0.387 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.245 6.075 0.668 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.192 8.272 1.087 1.00 0.00 N ATOM 0 H ASN A 15 -6.747 8.785 0.044 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.595 5.942 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.858 8.467 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.283 6.884 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.819 8.176 1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.836 9.192 0.826 1.00 0.00 H new ATOM 210 N SER A 16 -5.789 7.610 -2.074 1.00 0.00 N ATOM 211 CA SER A 16 -4.794 7.403 -3.118 1.00 0.00 C ATOM 212 C SER A 16 -3.556 6.706 -2.547 1.00 0.00 C ATOM 213 O SER A 16 -2.588 6.470 -3.269 1.00 0.00 O ATOM 214 CB SER A 16 -4.441 8.731 -3.783 1.00 0.00 C ATOM 215 OG SER A 16 -3.873 9.614 -2.841 1.00 0.00 O ATOM 0 H SER A 16 -5.752 8.534 -1.643 1.00 0.00 H new ATOM 0 HA SER A 16 -5.212 6.750 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.741 8.561 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.336 9.177 -4.217 1.00 0.00 H new ATOM 0 HG SER A 16 -3.650 10.461 -3.280 1.00 0.00 H new ATOM 221 N ARG A 17 -3.588 6.378 -1.249 1.00 0.00 N ATOM 222 CA ARG A 17 -2.522 5.635 -0.588 1.00 0.00 C ATOM 223 C ARG A 17 -2.896 4.165 -0.483 1.00 0.00 C ATOM 224 O ARG A 17 -4.076 3.823 -0.410 1.00 0.00 O ATOM 225 CB ARG A 17 -2.246 6.230 0.795 1.00 0.00 C ATOM 226 CG ARG A 17 -1.094 5.482 1.464 1.00 0.00 C ATOM 227 CD ARG A 17 -0.494 6.294 2.601 1.00 0.00 C ATOM 228 NE ARG A 17 -1.487 6.635 3.626 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.977 7.863 3.813 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.654 8.867 3.004 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.808 8.094 4.823 1.00 0.00 N ATOM 0 H ARG A 17 -4.360 6.625 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.611 5.713 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.999 7.288 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.141 6.165 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.452 4.526 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.323 5.262 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.318 5.729 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.059 7.210 2.201 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.824 5.888 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.020 8.707 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.040 9.797 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.069 7.335 5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.185 9.031 4.970 1.00 0.00 H new ATOM 245 N VAL A 18 -1.883 3.301 -0.474 1.00 0.00 N ATOM 246 CA VAL A 18 -2.068 1.866 -0.357 1.00 0.00 C ATOM 247 C VAL A 18 -1.256 1.338 0.814 1.00 0.00 C ATOM 248 O VAL A 18 -0.059 1.599 0.916 1.00 0.00 O ATOM 249 CB VAL A 18 -1.663 1.184 -1.663 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.830 -0.330 -1.545 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.553 1.688 -2.795 1.00 0.00 C ATOM 0 H VAL A 18 -0.906 3.584 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.119 1.645 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.619 1.418 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.538 -0.802 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.199 -0.704 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.872 -0.565 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.265 1.203 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.594 1.455 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.436 2.767 -2.897 1.00 0.00 H new ATOM 261 N PHE A 19 -1.925 0.595 1.691 1.00 0.00 N ATOM 262 CA PHE A 19 -1.300 -0.088 2.808 1.00 0.00 C ATOM 263 C PHE A 19 -0.828 -1.462 2.343 1.00 0.00 C ATOM 264 O PHE A 19 -1.590 -2.205 1.727 1.00 0.00 O ATOM 265 CB PHE A 19 -2.310 -0.194 3.954 1.00 0.00 C ATOM 266 CG PHE A 19 -1.795 -0.869 5.208 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.497 -0.604 5.667 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.617 -1.754 5.921 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.020 -1.232 6.826 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.139 -2.381 7.078 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.838 -2.128 7.525 1.00 0.00 C ATOM 0 H PHE A 19 -2.934 0.451 1.640 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.434 0.466 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.647 0.809 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.183 -0.742 3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.136 0.085 5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.621 -1.952 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.979 -1.025 7.180 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.775 -3.060 7.626 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.465 -2.624 8.409 1.00 0.00 H new ATOM 281 N ILE A 20 0.428 -1.803 2.635 1.00 0.00 N ATOM 282 CA ILE A 20 1.011 -3.087 2.270 1.00 0.00 C ATOM 283 C ILE A 20 1.399 -3.801 3.554 1.00 0.00 C ATOM 284 O ILE A 20 2.541 -3.727 4.002 1.00 0.00 O ATOM 285 CB ILE A 20 2.214 -2.881 1.336 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.776 -2.183 0.045 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.881 -4.219 0.992 1.00 0.00 C ATOM 288 CD1 ILE A 20 2.975 -1.569 -0.674 1.00 0.00 C ATOM 0 H ILE A 20 1.071 -1.189 3.135 1.00 0.00 H new ATOM 0 HA ILE A 20 0.295 -3.700 1.722 1.00 0.00 H new ATOM 0 HB ILE A 20 2.936 -2.254 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.281 -2.899 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.048 -1.406 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.729 -4.043 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.228 -4.698 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.160 -4.867 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.639 -1.079 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.453 -0.836 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.690 -2.353 -0.924 1.00 0.00 H new ATOM 300 N GLY A 21 0.430 -4.492 4.150 1.00 0.00 N ATOM 301 CA GLY A 21 0.642 -5.251 5.367 1.00 0.00 C ATOM 302 C GLY A 21 1.164 -6.646 5.051 1.00 0.00 C ATOM 303 O GLY A 21 1.265 -7.031 3.886 1.00 0.00 O ATOM 0 H GLY A 21 -0.526 -4.538 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.353 -4.729 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.293 -5.325 5.922 1.00 0.00 H new ATOM 307 N ASN A 22 1.496 -7.408 6.098 1.00 0.00 N ATOM 308 CA ASN A 22 2.043 -8.747 5.960 1.00 0.00 C ATOM 309 C ASN A 22 3.197 -8.750 4.953 1.00 0.00 C ATOM 310 O ASN A 22 3.246 -9.597 4.065 1.00 0.00 O ATOM 311 CB ASN A 22 0.934 -9.739 5.594 1.00 0.00 C ATOM 312 CG ASN A 22 1.409 -11.182 5.683 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.415 -11.482 6.321 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.688 -12.095 5.043 1.00 0.00 N ATOM 0 H ASN A 22 1.390 -7.105 7.066 1.00 0.00 H new ATOM 0 HA ASN A 22 2.456 -9.071 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.084 -9.595 6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.584 -9.534 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.965 -13.076 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.143 -11.815 4.521 1.00 0.00 H new ATOM 321 N LEU A 23 4.126 -7.798 5.084 1.00 0.00 N ATOM 322 CA LEU A 23 5.277 -7.684 4.203 1.00 0.00 C ATOM 323 C LEU A 23 6.509 -8.281 4.882 1.00 0.00 C ATOM 324 O LEU A 23 6.649 -8.177 6.100 1.00 0.00 O ATOM 325 CB LEU A 23 5.451 -6.209 3.833 1.00 0.00 C ATOM 326 CG LEU A 23 6.599 -5.941 2.858 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.399 -6.657 1.528 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.676 -4.438 2.596 1.00 0.00 C ATOM 0 H LEU A 23 4.094 -7.083 5.811 1.00 0.00 H new ATOM 0 HA LEU A 23 5.131 -8.248 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.523 -5.844 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.620 -5.635 4.744 1.00 0.00 H new ATOM 0 HG LEU A 23 7.518 -6.316 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.238 -6.438 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.342 -7.732 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.474 -6.314 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.491 -4.231 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.736 -4.095 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.857 -3.914 3.534 1.00 0.00 H new ATOM 340 N ASN A 24 7.409 -8.903 4.111 1.00 0.00 N ATOM 341 CA ASN A 24 8.583 -9.543 4.691 1.00 0.00 C ATOM 342 C ASN A 24 9.578 -8.513 5.221 1.00 0.00 C ATOM 343 O ASN A 24 10.206 -8.738 6.251 1.00 0.00 O ATOM 344 CB ASN A 24 9.257 -10.413 3.627 1.00 0.00 C ATOM 345 CG ASN A 24 10.330 -11.297 4.252 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.137 -11.865 5.322 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.477 -11.418 3.591 1.00 0.00 N ATOM 0 H ASN A 24 7.344 -8.974 3.096 1.00 0.00 H new ATOM 0 HA ASN A 24 8.260 -10.157 5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.510 -11.034 3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.703 -9.779 2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.226 -11.996 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.608 -10.933 2.703 1.00 0.00 H new ATOM 354 N THR A 25 9.709 -7.389 4.506 1.00 0.00 N ATOM 355 CA THR A 25 10.579 -6.251 4.824 1.00 0.00 C ATOM 356 C THR A 25 12.035 -6.618 5.124 1.00 0.00 C ATOM 357 O THR A 25 12.805 -5.767 5.566 1.00 0.00 O ATOM 358 CB THR A 25 9.969 -5.376 5.924 1.00 0.00 C ATOM 359 OG1 THR A 25 9.896 -6.059 7.156 1.00 0.00 O ATOM 360 CG2 THR A 25 8.560 -4.957 5.520 1.00 0.00 C ATOM 0 H THR A 25 9.183 -7.241 3.645 1.00 0.00 H new ATOM 0 HA THR A 25 10.632 -5.666 3.906 1.00 0.00 H new ATOM 0 HB THR A 25 10.614 -4.506 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.146 -6.998 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.127 -4.335 6.303 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.601 -4.392 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.943 -5.844 5.379 1.00 0.00 H new ATOM 368 N LEU A 26 12.423 -7.872 4.886 1.00 0.00 N ATOM 369 CA LEU A 26 13.790 -8.343 5.053 1.00 0.00 C ATOM 370 C LEU A 26 14.498 -8.475 3.702 1.00 0.00 C ATOM 371 O LEU A 26 15.721 -8.602 3.655 1.00 0.00 O ATOM 372 CB LEU A 26 13.773 -9.692 5.779 1.00 0.00 C ATOM 373 CG LEU A 26 14.044 -9.589 7.286 1.00 0.00 C ATOM 374 CD1 LEU A 26 15.470 -9.106 7.544 1.00 0.00 C ATOM 375 CD2 LEU A 26 13.070 -8.644 7.985 1.00 0.00 C ATOM 0 H LEU A 26 11.781 -8.598 4.566 1.00 0.00 H new ATOM 0 HA LEU A 26 14.343 -7.614 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.803 -10.164 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.520 -10.345 5.329 1.00 0.00 H new ATOM 0 HG LEU A 26 13.907 -10.590 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.643 -9.039 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.177 -9.810 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.609 -8.124 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.302 -8.604 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.161 -7.646 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.051 -9.006 7.849 1.00 0.00 H new ATOM 387 N VAL A 27 13.731 -8.446 2.604 1.00 0.00 N ATOM 388 CA VAL A 27 14.282 -8.535 1.255 1.00 0.00 C ATOM 389 C VAL A 27 13.800 -7.365 0.399 1.00 0.00 C ATOM 390 O VAL A 27 14.465 -6.998 -0.566 1.00 0.00 O ATOM 391 CB VAL A 27 13.890 -9.886 0.640 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.444 -10.028 -0.780 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.448 -11.032 1.483 1.00 0.00 C ATOM 0 H VAL A 27 12.715 -8.360 2.631 1.00 0.00 H new ATOM 0 HA VAL A 27 15.369 -8.474 1.297 1.00 0.00 H new ATOM 0 HB VAL A 27 12.801 -9.927 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.151 -10.994 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.045 -9.231 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.532 -9.960 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.163 -11.985 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.535 -10.960 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.045 -10.970 2.494 1.00 0.00 H new ATOM 403 N VAL A 28 12.649 -6.780 0.746 1.00 0.00 N ATOM 404 CA VAL A 28 12.101 -5.638 0.017 1.00 0.00 C ATOM 405 C VAL A 28 12.362 -4.346 0.788 1.00 0.00 C ATOM 406 O VAL A 28 12.370 -4.346 2.020 1.00 0.00 O ATOM 407 CB VAL A 28 10.610 -5.850 -0.257 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.025 -4.706 -1.085 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.398 -7.144 -1.038 1.00 0.00 C ATOM 0 H VAL A 28 12.077 -7.084 1.534 1.00 0.00 H new ATOM 0 HA VAL A 28 12.602 -5.552 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 28 10.109 -5.893 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.965 -4.889 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.146 -3.767 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.546 -4.645 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.334 -7.285 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.931 -7.088 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.778 -7.985 -0.458 1.00 0.00 H new ATOM 419 N LYS A 29 12.576 -3.244 0.057 1.00 0.00 N ATOM 420 CA LYS A 29 12.864 -1.939 0.640 1.00 0.00 C ATOM 421 C LYS A 29 12.057 -0.857 -0.067 1.00 0.00 C ATOM 422 O LYS A 29 11.400 -1.110 -1.076 1.00 0.00 O ATOM 423 CB LYS A 29 14.363 -1.621 0.541 1.00 0.00 C ATOM 424 CG LYS A 29 15.265 -2.668 1.202 1.00 0.00 C ATOM 425 CD LYS A 29 15.681 -3.762 0.215 1.00 0.00 C ATOM 426 CE LYS A 29 16.608 -4.765 0.902 1.00 0.00 C ATOM 427 NZ LYS A 29 17.047 -5.811 -0.038 1.00 0.00 N ATOM 0 H LYS A 29 12.553 -3.239 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 29 12.582 -1.964 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.637 -1.532 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.550 -0.651 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.155 -2.181 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.742 -3.119 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.797 -4.274 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.186 -3.316 -0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.477 -4.245 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.092 -5.223 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.715 -6.449 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.222 -6.354 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.515 -5.369 -0.855 1.00 0.00 H new ATOM 441 N LYS A 30 12.110 0.364 0.468 1.00 0.00 N ATOM 442 CA LYS A 30 11.409 1.520 -0.086 1.00 0.00 C ATOM 443 C LYS A 30 11.989 1.951 -1.435 1.00 0.00 C ATOM 444 O LYS A 30 11.458 2.856 -2.073 1.00 0.00 O ATOM 445 CB LYS A 30 11.439 2.651 0.941 1.00 0.00 C ATOM 446 CG LYS A 30 12.867 3.016 1.357 1.00 0.00 C ATOM 447 CD LYS A 30 12.878 3.413 2.832 1.00 0.00 C ATOM 448 CE LYS A 30 12.008 4.644 3.090 1.00 0.00 C ATOM 449 NZ LYS A 30 11.980 4.984 4.526 1.00 0.00 N ATOM 0 H LYS A 30 12.648 0.579 1.308 1.00 0.00 H new ATOM 0 HA LYS A 30 10.373 1.248 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.947 3.530 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.870 2.355 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.534 2.170 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.237 3.838 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.519 2.580 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.901 3.617 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.392 5.490 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.994 4.456 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.383 5.823 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.591 4.184 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.946 5.185 4.854 1.00 0.00 H new ATOM 463 N SER A 31 13.074 1.297 -1.859 1.00 0.00 N ATOM 464 CA SER A 31 13.674 1.505 -3.170 1.00 0.00 C ATOM 465 C SER A 31 13.246 0.401 -4.137 1.00 0.00 C ATOM 466 O SER A 31 13.655 0.403 -5.297 1.00 0.00 O ATOM 467 CB SER A 31 15.194 1.559 -3.040 1.00 0.00 C ATOM 468 OG SER A 31 15.556 2.574 -2.126 1.00 0.00 O ATOM 0 H SER A 31 13.562 0.603 -1.293 1.00 0.00 H new ATOM 0 HA SER A 31 13.326 2.456 -3.574 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.574 0.596 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.646 1.754 -4.013 1.00 0.00 H new ATOM 0 HG SER A 31 16.532 2.606 -2.042 1.00 0.00 H new ATOM 474 N ASP A 32 12.424 -0.548 -3.665 1.00 0.00 N ATOM 475 CA ASP A 32 11.929 -1.656 -4.463 1.00 0.00 C ATOM 476 C ASP A 32 10.412 -1.580 -4.615 1.00 0.00 C ATOM 477 O ASP A 32 9.872 -1.964 -5.651 1.00 0.00 O ATOM 478 CB ASP A 32 12.327 -2.956 -3.765 1.00 0.00 C ATOM 479 CG ASP A 32 13.825 -3.213 -3.876 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.266 -3.582 -4.989 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.515 -3.037 -2.848 1.00 0.00 O ATOM 0 H ASP A 32 12.085 -0.558 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 32 12.362 -1.614 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.042 -2.908 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.780 -3.789 -4.206 1.00 0.00 H new ATOM 486 N VAL A 33 9.711 -1.080 -3.591 1.00 0.00 N ATOM 487 CA VAL A 33 8.262 -0.946 -3.658 1.00 0.00 C ATOM 488 C VAL A 33 7.907 0.080 -4.733 1.00 0.00 C ATOM 489 O VAL A 33 6.863 -0.023 -5.370 1.00 0.00 O ATOM 490 CB VAL A 33 7.747 -0.527 -2.282 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.254 -0.222 -2.316 1.00 0.00 C ATOM 492 CG2 VAL A 33 7.977 -1.646 -1.268 1.00 0.00 C ATOM 0 H VAL A 33 10.126 -0.765 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 33 7.791 -1.891 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 33 8.294 0.371 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.920 0.073 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.064 0.590 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.708 -1.111 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.606 -1.334 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.446 -2.542 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.043 -1.861 -1.199 1.00 0.00 H new ATOM 502 N GLU A 34 8.777 1.069 -4.944 1.00 0.00 N ATOM 503 CA GLU A 34 8.570 2.085 -5.970 1.00 0.00 C ATOM 504 C GLU A 34 8.943 1.570 -7.362 1.00 0.00 C ATOM 505 O GLU A 34 8.984 2.340 -8.317 1.00 0.00 O ATOM 506 CB GLU A 34 9.311 3.376 -5.615 1.00 0.00 C ATOM 507 CG GLU A 34 10.826 3.168 -5.561 1.00 0.00 C ATOM 508 CD GLU A 34 11.573 4.476 -5.300 1.00 0.00 C ATOM 509 OE1 GLU A 34 10.902 5.495 -5.015 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.821 4.447 -5.388 1.00 0.00 O ATOM 0 H GLU A 34 9.639 1.186 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 34 7.505 2.317 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.076 4.144 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.960 3.742 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.066 2.450 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.167 2.737 -6.502 1.00 0.00 H new ATOM 517 N ALA A 35 9.216 0.265 -7.478 1.00 0.00 N ATOM 518 CA ALA A 35 9.506 -0.380 -8.748 1.00 0.00 C ATOM 519 C ALA A 35 8.602 -1.597 -8.965 1.00 0.00 C ATOM 520 O ALA A 35 8.596 -2.175 -10.050 1.00 0.00 O ATOM 521 CB ALA A 35 10.981 -0.771 -8.786 1.00 0.00 C ATOM 0 H ALA A 35 9.240 -0.372 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 35 9.303 0.318 -9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.205 -1.255 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.597 0.122 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.196 -1.459 -7.969 1.00 0.00 H new ATOM 527 N ILE A 36 7.841 -1.986 -7.934 1.00 0.00 N ATOM 528 CA ILE A 36 6.907 -3.105 -8.002 1.00 0.00 C ATOM 529 C ILE A 36 5.464 -2.603 -8.019 1.00 0.00 C ATOM 530 O ILE A 36 4.582 -3.282 -8.541 1.00 0.00 O ATOM 531 CB ILE A 36 7.168 -4.022 -6.799 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.587 -4.599 -6.902 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.136 -5.155 -6.747 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.046 -5.184 -5.567 1.00 0.00 C ATOM 0 H ILE A 36 7.860 -1.526 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 36 7.058 -3.666 -8.924 1.00 0.00 H new ATOM 0 HB ILE A 36 7.077 -3.441 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.612 -5.373 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.278 -3.817 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.339 -5.793 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.136 -4.732 -6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.199 -5.746 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.054 -5.585 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.044 -4.402 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.368 -5.983 -5.267 1.00 0.00 H new ATOM 546 N PHE A 37 5.223 -1.419 -7.451 1.00 0.00 N ATOM 547 CA PHE A 37 3.894 -0.827 -7.394 1.00 0.00 C ATOM 548 C PHE A 37 3.767 0.325 -8.387 1.00 0.00 C ATOM 549 O PHE A 37 2.684 0.882 -8.558 1.00 0.00 O ATOM 550 CB PHE A 37 3.608 -0.390 -5.959 1.00 0.00 C ATOM 551 CG PHE A 37 3.381 -1.543 -5.009 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.470 -2.255 -4.493 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.074 -1.901 -4.648 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.256 -3.331 -3.621 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.859 -2.978 -3.779 1.00 0.00 C ATOM 556 CZ PHE A 37 2.950 -3.690 -3.261 1.00 0.00 C ATOM 0 H PHE A 37 5.948 -0.847 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 37 3.147 -1.565 -7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.444 0.209 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.728 0.254 -5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.476 -1.975 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.234 -1.347 -5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.097 -3.883 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.852 -3.260 -3.508 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.784 -4.515 -2.584 1.00 0.00 H new ATOM 566 N SER A 38 4.869 0.690 -9.050 1.00 0.00 N ATOM 567 CA SER A 38 4.872 1.776 -10.020 1.00 0.00 C ATOM 568 C SER A 38 4.230 1.344 -11.338 1.00 0.00 C ATOM 569 O SER A 38 3.904 2.184 -12.175 1.00 0.00 O ATOM 570 CB SER A 38 6.309 2.218 -10.262 1.00 0.00 C ATOM 571 OG SER A 38 7.070 1.124 -10.734 1.00 0.00 O ATOM 0 H SER A 38 5.776 0.240 -8.927 1.00 0.00 H new ATOM 0 HA SER A 38 4.287 2.605 -9.621 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.333 3.030 -10.988 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.742 2.603 -9.339 1.00 0.00 H new ATOM 0 HG SER A 38 7.994 1.411 -10.890 1.00 0.00 H new ATOM 577 N LYS A 39 4.048 0.034 -11.523 1.00 0.00 N ATOM 578 CA LYS A 39 3.436 -0.523 -12.721 1.00 0.00 C ATOM 579 C LYS A 39 1.911 -0.438 -12.685 1.00 0.00 C ATOM 580 O LYS A 39 1.269 -0.667 -13.708 1.00 0.00 O ATOM 581 CB LYS A 39 3.916 -1.965 -12.872 1.00 0.00 C ATOM 582 CG LYS A 39 3.392 -2.820 -11.721 1.00 0.00 C ATOM 583 CD LYS A 39 4.193 -4.118 -11.613 1.00 0.00 C ATOM 584 CE LYS A 39 4.057 -4.981 -12.870 1.00 0.00 C ATOM 585 NZ LYS A 39 2.667 -5.428 -13.078 1.00 0.00 N ATOM 0 H LYS A 39 4.325 -0.670 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 39 3.742 0.064 -13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.572 -2.372 -13.823 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.006 -1.993 -12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.461 -2.264 -10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.338 -3.048 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.244 -3.883 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.852 -4.684 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.390 -4.413 -13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.710 -5.850 -12.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.667 -6.378 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.171 -5.457 -12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.181 -4.765 -13.715 1.00 0.00 H new ATOM 599 N TYR A 40 1.334 -0.113 -11.523 1.00 0.00 N ATOM 600 CA TYR A 40 -0.109 0.029 -11.376 1.00 0.00 C ATOM 601 C TYR A 40 -0.520 1.494 -11.257 1.00 0.00 C ATOM 602 O TYR A 40 -1.696 1.823 -11.417 1.00 0.00 O ATOM 603 CB TYR A 40 -0.572 -0.766 -10.162 1.00 0.00 C ATOM 604 CG TYR A 40 -0.151 -2.215 -10.229 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.773 -3.088 -11.134 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.876 -2.678 -9.398 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.358 -4.425 -11.223 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.304 -4.009 -9.483 1.00 0.00 C ATOM 609 CZ TYR A 40 0.689 -4.888 -10.398 1.00 0.00 C ATOM 610 OH TYR A 40 1.102 -6.184 -10.487 1.00 0.00 O ATOM 0 H TYR A 40 1.857 0.057 -10.664 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.591 -0.365 -12.271 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.165 -0.313 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.658 -0.709 -10.086 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.574 -2.730 -11.764 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.339 -2.007 -8.690 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.837 -5.097 -11.920 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.104 -4.361 -8.849 1.00 0.00 H new ATOM 0 HH TYR A 40 1.483 -6.466 -9.629 1.00 0.00 H new ATOM 620 N GLY A 41 0.441 2.378 -10.978 1.00 0.00 N ATOM 621 CA GLY A 41 0.183 3.804 -10.948 1.00 0.00 C ATOM 622 C GLY A 41 1.451 4.604 -10.698 1.00 0.00 C ATOM 623 O GLY A 41 2.452 4.064 -10.229 1.00 0.00 O ATOM 0 H GLY A 41 1.406 2.121 -10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.260 4.113 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.545 4.025 -10.168 1.00 0.00 H new ATOM 627 N LYS A 42 1.407 5.901 -11.009 1.00 0.00 N ATOM 628 CA LYS A 42 2.524 6.801 -10.783 1.00 0.00 C ATOM 629 C LYS A 42 2.649 7.066 -9.289 1.00 0.00 C ATOM 630 O LYS A 42 1.756 7.654 -8.681 1.00 0.00 O ATOM 631 CB LYS A 42 2.271 8.088 -11.570 1.00 0.00 C ATOM 632 CG LYS A 42 3.253 9.190 -11.175 1.00 0.00 C ATOM 633 CD LYS A 42 2.951 10.438 -12.000 1.00 0.00 C ATOM 634 CE LYS A 42 3.716 11.633 -11.443 1.00 0.00 C ATOM 635 NZ LYS A 42 5.175 11.483 -11.615 1.00 0.00 N ATOM 0 H LYS A 42 0.592 6.351 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 42 3.463 6.365 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.360 7.886 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.251 8.429 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.165 9.411 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.278 8.862 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.229 10.271 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.881 10.643 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.383 12.542 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.486 11.750 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.654 12.345 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.508 10.668 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.392 11.330 -12.620 1.00 0.00 H new ATOM 649 N ILE A 43 3.763 6.629 -8.699 1.00 0.00 N ATOM 650 CA ILE A 43 4.006 6.790 -7.276 1.00 0.00 C ATOM 651 C ILE A 43 4.567 8.182 -7.005 1.00 0.00 C ATOM 652 O ILE A 43 5.525 8.608 -7.648 1.00 0.00 O ATOM 653 CB ILE A 43 4.923 5.666 -6.779 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.196 4.326 -6.954 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.280 5.863 -5.305 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.052 3.126 -6.546 1.00 0.00 C ATOM 0 H ILE A 43 4.516 6.156 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 43 3.073 6.710 -6.718 1.00 0.00 H new ATOM 0 HB ILE A 43 5.846 5.679 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.283 4.334 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.896 4.214 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.931 5.053 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.795 6.816 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.369 5.861 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.484 2.207 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.953 3.097 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.330 3.218 -5.496 1.00 0.00 H new ATOM 668 N VAL A 44 3.968 8.889 -6.046 1.00 0.00 N ATOM 669 CA VAL A 44 4.401 10.223 -5.650 1.00 0.00 C ATOM 670 C VAL A 44 5.089 10.183 -4.288 1.00 0.00 C ATOM 671 O VAL A 44 5.659 11.178 -3.852 1.00 0.00 O ATOM 672 CB VAL A 44 3.213 11.195 -5.651 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.609 11.286 -7.052 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.128 10.754 -4.668 1.00 0.00 C ATOM 0 H VAL A 44 3.163 8.547 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 44 5.128 10.585 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 44 3.587 12.171 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.767 11.978 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.364 11.644 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.264 10.300 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.302 11.465 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.765 9.765 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.543 10.717 -3.661 1.00 0.00 H new ATOM 684 N GLY A 45 5.034 9.028 -3.617 1.00 0.00 N ATOM 685 CA GLY A 45 5.678 8.820 -2.334 1.00 0.00 C ATOM 686 C GLY A 45 5.657 7.338 -1.975 1.00 0.00 C ATOM 687 O GLY A 45 4.714 6.628 -2.318 1.00 0.00 O ATOM 0 H GLY A 45 4.534 8.208 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.706 9.179 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.167 9.397 -1.563 1.00 0.00 H new ATOM 691 N CYS A 46 6.700 6.866 -1.290 1.00 0.00 N ATOM 692 CA CYS A 46 6.810 5.472 -0.901 1.00 0.00 C ATOM 693 C CYS A 46 7.616 5.359 0.389 1.00 0.00 C ATOM 694 O CYS A 46 8.562 6.116 0.607 1.00 0.00 O ATOM 695 CB CYS A 46 7.487 4.692 -2.030 1.00 0.00 C ATOM 696 SG CYS A 46 7.551 2.939 -1.595 1.00 0.00 S ATOM 0 H CYS A 46 7.487 7.443 -0.993 1.00 0.00 H new ATOM 0 HA CYS A 46 5.819 5.055 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.936 4.827 -2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.494 5.073 -2.197 1.00 0.00 H new ATOM 0 HG CYS A 46 6.588 2.662 -0.767 1.00 0.00 H new ATOM 702 N SER A 47 7.245 4.406 1.248 1.00 0.00 N ATOM 703 CA SER A 47 7.966 4.153 2.479 1.00 0.00 C ATOM 704 C SER A 47 7.783 2.702 2.905 1.00 0.00 C ATOM 705 O SER A 47 6.743 2.098 2.655 1.00 0.00 O ATOM 706 CB SER A 47 7.481 5.101 3.572 1.00 0.00 C ATOM 707 OG SER A 47 8.310 4.961 4.708 1.00 0.00 O ATOM 0 H SER A 47 6.440 3.796 1.103 1.00 0.00 H new ATOM 0 HA SER A 47 9.028 4.331 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.504 6.130 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.446 4.877 3.832 1.00 0.00 H new ATOM 0 HG SER A 47 7.810 4.518 5.425 1.00 0.00 H new ATOM 713 N VAL A 48 8.805 2.148 3.553 1.00 0.00 N ATOM 714 CA VAL A 48 8.777 0.789 4.075 1.00 0.00 C ATOM 715 C VAL A 48 9.123 0.813 5.557 1.00 0.00 C ATOM 716 O VAL A 48 9.919 1.637 6.005 1.00 0.00 O ATOM 717 CB VAL A 48 9.725 -0.112 3.278 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.803 -1.521 3.869 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.216 -0.223 1.841 1.00 0.00 C ATOM 0 H VAL A 48 9.683 2.636 3.731 1.00 0.00 H new ATOM 0 HA VAL A 48 7.776 0.372 3.965 1.00 0.00 H new ATOM 0 HB VAL A 48 10.718 0.335 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.486 -2.128 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.167 -1.466 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.812 -1.975 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.885 -0.863 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.215 -0.653 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.185 0.768 1.389 1.00 0.00 H new ATOM 729 N HIS A 49 8.515 -0.105 6.304 1.00 0.00 N ATOM 730 CA HIS A 49 8.654 -0.206 7.743 1.00 0.00 C ATOM 731 C HIS A 49 8.947 -1.660 8.096 1.00 0.00 C ATOM 732 O HIS A 49 9.314 -2.445 7.221 1.00 0.00 O ATOM 733 CB HIS A 49 7.353 0.283 8.383 1.00 0.00 C ATOM 734 CG HIS A 49 6.979 1.679 7.958 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.190 2.836 8.712 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.377 2.012 6.781 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.717 3.841 7.957 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.217 3.379 6.797 1.00 0.00 N ATOM 0 H HIS A 49 7.898 -0.814 5.909 1.00 0.00 H new ATOM 0 HA HIS A 49 9.474 0.408 8.116 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.545 -0.400 8.120 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.454 0.254 9.468 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.083 1.336 5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.736 4.882 8.243 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.794 3.942 6.059 1.00 0.00 H new ATOM 746 N LYS A 50 8.795 -2.040 9.368 1.00 0.00 N ATOM 747 CA LYS A 50 8.965 -3.428 9.760 1.00 0.00 C ATOM 748 C LYS A 50 7.623 -4.145 9.676 1.00 0.00 C ATOM 749 O LYS A 50 6.684 -3.802 10.390 1.00 0.00 O ATOM 750 CB LYS A 50 9.565 -3.517 11.162 1.00 0.00 C ATOM 751 CG LYS A 50 10.962 -2.890 11.186 1.00 0.00 C ATOM 752 CD LYS A 50 11.573 -3.043 12.578 1.00 0.00 C ATOM 753 CE LYS A 50 12.964 -2.413 12.605 1.00 0.00 C ATOM 754 NZ LYS A 50 13.582 -2.544 13.939 1.00 0.00 N ATOM 0 H LYS A 50 8.557 -1.407 10.132 1.00 0.00 H new ATOM 0 HA LYS A 50 9.660 -3.919 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.918 -3.006 11.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.622 -4.560 11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.599 -3.371 10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.902 -1.835 10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.933 -2.566 13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.637 -4.098 12.843 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.598 -2.892 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.894 -1.359 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.526 -2.108 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.987 -2.066 14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.669 -3.551 14.184 1.00 0.00 H new ATOM 768 N GLY A 51 7.539 -5.145 8.794 1.00 0.00 N ATOM 769 CA GLY A 51 6.341 -5.954 8.618 1.00 0.00 C ATOM 770 C GLY A 51 5.299 -5.311 7.696 1.00 0.00 C ATOM 771 O GLY A 51 4.333 -5.980 7.333 1.00 0.00 O ATOM 0 H GLY A 51 8.308 -5.414 8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.624 -6.925 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.889 -6.136 9.593 1.00 0.00 H new ATOM 775 N PHE A 52 5.467 -4.042 7.313 1.00 0.00 N ATOM 776 CA PHE A 52 4.523 -3.375 6.420 1.00 0.00 C ATOM 777 C PHE A 52 5.198 -2.268 5.614 1.00 0.00 C ATOM 778 O PHE A 52 6.343 -1.903 5.877 1.00 0.00 O ATOM 779 CB PHE A 52 3.358 -2.793 7.218 1.00 0.00 C ATOM 780 CG PHE A 52 3.745 -1.713 8.203 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.187 -2.054 9.486 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.657 -0.362 7.830 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.544 -1.052 10.397 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.008 0.639 8.742 1.00 0.00 C ATOM 785 CZ PHE A 52 4.454 0.295 10.025 1.00 0.00 C ATOM 0 H PHE A 52 6.249 -3.458 7.609 1.00 0.00 H new ATOM 0 HA PHE A 52 4.148 -4.123 5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.626 -2.385 6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.867 -3.601 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.253 -3.093 9.775 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.319 -0.096 6.840 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.888 -1.318 11.385 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.935 1.678 8.457 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.728 1.069 10.727 1.00 0.00 H new ATOM 795 N ALA A 53 4.477 -1.733 4.627 1.00 0.00 N ATOM 796 CA ALA A 53 4.930 -0.621 3.805 1.00 0.00 C ATOM 797 C ALA A 53 3.742 0.230 3.351 1.00 0.00 C ATOM 798 O ALA A 53 2.589 -0.144 3.562 1.00 0.00 O ATOM 799 CB ALA A 53 5.691 -1.172 2.601 1.00 0.00 C ATOM 0 H ALA A 53 3.547 -2.069 4.376 1.00 0.00 H new ATOM 0 HA ALA A 53 5.592 0.018 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.035 -0.346 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.550 -1.748 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.033 -1.816 2.018 1.00 0.00 H new ATOM 805 N PHE A 54 4.033 1.372 2.724 1.00 0.00 N ATOM 806 CA PHE A 54 3.029 2.299 2.228 1.00 0.00 C ATOM 807 C PHE A 54 3.446 2.869 0.874 1.00 0.00 C ATOM 808 O PHE A 54 4.629 3.109 0.629 1.00 0.00 O ATOM 809 CB PHE A 54 2.829 3.429 3.243 1.00 0.00 C ATOM 810 CG PHE A 54 1.776 3.132 4.287 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.429 3.113 3.908 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.137 2.883 5.620 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.565 2.858 4.862 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.141 2.617 6.569 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.209 2.613 6.191 1.00 0.00 C ATOM 0 H PHE A 54 4.990 1.678 2.547 1.00 0.00 H new ATOM 0 HA PHE A 54 2.088 1.765 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.777 3.628 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.553 4.339 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.155 3.295 2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.176 2.896 5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.605 2.851 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.414 2.415 7.594 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.975 2.420 6.928 1.00 0.00 H new ATOM 825 N VAL A 55 2.462 3.083 -0.007 1.00 0.00 N ATOM 826 CA VAL A 55 2.675 3.641 -1.335 1.00 0.00 C ATOM 827 C VAL A 55 1.631 4.710 -1.602 1.00 0.00 C ATOM 828 O VAL A 55 0.463 4.526 -1.276 1.00 0.00 O ATOM 829 CB VAL A 55 2.590 2.540 -2.401 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.704 3.128 -3.805 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.728 1.550 -2.204 1.00 0.00 C ATOM 0 H VAL A 55 1.485 2.869 0.191 1.00 0.00 H new ATOM 0 HA VAL A 55 3.670 4.084 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 55 1.625 2.044 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.641 2.327 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.893 3.837 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.660 3.641 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.666 0.769 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.682 2.069 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.653 1.101 -1.213 1.00 0.00 H new ATOM 841 N GLN A 56 2.053 5.826 -2.195 1.00 0.00 N ATOM 842 CA GLN A 56 1.180 6.956 -2.453 1.00 0.00 C ATOM 843 C GLN A 56 1.071 7.179 -3.959 1.00 0.00 C ATOM 844 O GLN A 56 2.090 7.229 -4.650 1.00 0.00 O ATOM 845 CB GLN A 56 1.767 8.174 -1.734 1.00 0.00 C ATOM 846 CG GLN A 56 0.822 9.375 -1.732 1.00 0.00 C ATOM 847 CD GLN A 56 -0.336 9.172 -0.767 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.138 9.030 0.438 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.556 9.160 -1.286 1.00 0.00 N ATOM 0 H GLN A 56 3.013 5.966 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 56 0.172 6.776 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.004 7.903 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.704 8.456 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.374 10.273 -1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.435 9.536 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.684 9.281 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.367 9.030 -0.681 1.00 0.00 H new ATOM 858 N TYR A 57 -0.157 7.316 -4.464 1.00 0.00 N ATOM 859 CA TYR A 57 -0.420 7.540 -5.877 1.00 0.00 C ATOM 860 C TYR A 57 -1.004 8.932 -6.107 1.00 0.00 C ATOM 861 O TYR A 57 -1.261 9.674 -5.160 1.00 0.00 O ATOM 862 CB TYR A 57 -1.389 6.478 -6.398 1.00 0.00 C ATOM 863 CG TYR A 57 -0.814 5.083 -6.460 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.354 4.852 -7.194 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.452 4.025 -5.796 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.896 3.564 -7.271 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.910 2.735 -5.864 1.00 0.00 C ATOM 868 CZ TYR A 57 0.261 2.502 -6.608 1.00 0.00 C ATOM 869 OH TYR A 57 0.780 1.250 -6.689 1.00 0.00 O ATOM 0 H TYR A 57 -1.001 7.273 -3.893 1.00 0.00 H new ATOM 0 HA TYR A 57 0.523 7.469 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.272 6.465 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.721 6.765 -7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.840 5.671 -7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.357 4.204 -5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.798 3.388 -7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.391 1.919 -5.345 1.00 0.00 H new ATOM 0 HH TYR A 57 1.285 1.159 -7.524 1.00 0.00 H new ATOM 879 N VAL A 58 -1.213 9.281 -7.381 1.00 0.00 N ATOM 880 CA VAL A 58 -1.784 10.564 -7.764 1.00 0.00 C ATOM 881 C VAL A 58 -3.272 10.605 -7.427 1.00 0.00 C ATOM 882 O VAL A 58 -3.798 11.675 -7.130 1.00 0.00 O ATOM 883 CB VAL A 58 -1.542 10.793 -9.261 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.257 12.047 -9.756 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.045 10.948 -9.530 1.00 0.00 C ATOM 0 H VAL A 58 -0.989 8.677 -8.172 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.301 11.365 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.937 9.927 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.064 12.179 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.330 11.943 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.889 12.915 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.118 11.110 -10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.339 11.801 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.477 10.044 -9.217 1.00 0.00 H new ATOM 895 N ASN A 59 -3.958 9.458 -7.466 1.00 0.00 N ATOM 896 CA ASN A 59 -5.371 9.415 -7.116 1.00 0.00 C ATOM 897 C ASN A 59 -5.812 8.017 -6.679 1.00 0.00 C ATOM 898 O ASN A 59 -5.066 7.049 -6.818 1.00 0.00 O ATOM 899 CB ASN A 59 -6.218 9.924 -8.287 1.00 0.00 C ATOM 900 CG ASN A 59 -6.623 8.835 -9.263 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.811 8.578 -9.424 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.662 8.194 -9.912 1.00 0.00 N ATOM 0 H ASN A 59 -3.558 8.559 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.525 10.072 -6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.116 10.401 -7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.658 10.691 -8.823 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.899 7.456 -10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.685 8.439 -9.749 1.00 0.00 H new ATOM 909 N GLU A 60 -7.034 7.921 -6.147 1.00 0.00 N ATOM 910 CA GLU A 60 -7.590 6.676 -5.642 1.00 0.00 C ATOM 911 C GLU A 60 -7.671 5.598 -6.724 1.00 0.00 C ATOM 912 O GLU A 60 -7.553 4.418 -6.403 1.00 0.00 O ATOM 913 CB GLU A 60 -8.974 6.979 -5.067 1.00 0.00 C ATOM 914 CG GLU A 60 -9.628 5.724 -4.481 1.00 0.00 C ATOM 915 CD GLU A 60 -11.004 6.015 -3.880 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.276 7.193 -3.558 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.778 5.039 -3.744 1.00 0.00 O ATOM 0 H GLU A 60 -7.666 8.717 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.934 6.277 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.888 7.741 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.612 7.391 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.727 4.970 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.979 5.304 -3.712 1.00 0.00 H new ATOM 924 N ARG A 61 -7.862 5.968 -7.993 1.00 0.00 N ATOM 925 CA ARG A 61 -7.954 4.985 -9.066 1.00 0.00 C ATOM 926 C ARG A 61 -6.668 4.165 -9.145 1.00 0.00 C ATOM 927 O ARG A 61 -6.708 2.960 -9.375 1.00 0.00 O ATOM 928 CB ARG A 61 -8.224 5.714 -10.388 1.00 0.00 C ATOM 929 CG ARG A 61 -8.069 4.806 -11.611 1.00 0.00 C ATOM 930 CD ARG A 61 -8.924 3.545 -11.504 1.00 0.00 C ATOM 931 NE ARG A 61 -10.355 3.864 -11.467 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.318 2.958 -11.277 1.00 0.00 C ATOM 933 NH1 ARG A 61 -11.018 1.671 -11.113 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.593 3.334 -11.247 1.00 0.00 N ATOM 0 H ARG A 61 -7.955 6.937 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.774 4.296 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.234 6.124 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.539 6.557 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.348 5.357 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.022 4.525 -11.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.718 2.892 -12.352 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.650 2.994 -10.604 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.632 4.837 -11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.044 1.368 -11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.762 0.988 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.838 4.317 -11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.326 2.640 -11.102 1.00 0.00 H new ATOM 948 N ASN A 62 -5.519 4.815 -8.950 1.00 0.00 N ATOM 949 CA ASN A 62 -4.250 4.115 -9.010 1.00 0.00 C ATOM 950 C ASN A 62 -4.077 3.200 -7.799 1.00 0.00 C ATOM 951 O ASN A 62 -3.354 2.208 -7.871 1.00 0.00 O ATOM 952 CB ASN A 62 -3.133 5.150 -9.089 1.00 0.00 C ATOM 953 CG ASN A 62 -3.036 5.745 -10.481 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.156 6.951 -10.657 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.818 4.896 -11.481 1.00 0.00 N ATOM 0 H ASN A 62 -5.448 5.813 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.217 3.479 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.316 5.943 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.184 4.686 -8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.745 5.243 -12.438 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.724 3.898 -11.292 1.00 0.00 H new ATOM 962 N ALA A 63 -4.741 3.525 -6.688 1.00 0.00 N ATOM 963 CA ALA A 63 -4.676 2.711 -5.487 1.00 0.00 C ATOM 964 C ALA A 63 -5.542 1.463 -5.644 1.00 0.00 C ATOM 965 O ALA A 63 -5.189 0.397 -5.146 1.00 0.00 O ATOM 966 CB ALA A 63 -5.119 3.549 -4.292 1.00 0.00 C ATOM 0 H ALA A 63 -5.331 4.352 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.651 2.379 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.073 2.944 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.459 4.410 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.142 3.892 -4.447 1.00 0.00 H new ATOM 972 N ARG A 64 -6.678 1.588 -6.335 1.00 0.00 N ATOM 973 CA ARG A 64 -7.568 0.458 -6.579 1.00 0.00 C ATOM 974 C ARG A 64 -6.911 -0.530 -7.539 1.00 0.00 C ATOM 975 O ARG A 64 -7.225 -1.718 -7.502 1.00 0.00 O ATOM 976 CB ARG A 64 -8.885 0.953 -7.182 1.00 0.00 C ATOM 977 CG ARG A 64 -9.675 1.875 -6.251 1.00 0.00 C ATOM 978 CD ARG A 64 -10.216 1.150 -5.021 1.00 0.00 C ATOM 979 NE ARG A 64 -10.959 2.089 -4.169 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.591 1.763 -3.041 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.623 0.511 -2.596 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.207 2.705 -2.340 1.00 0.00 N ATOM 0 H ARG A 64 -7.002 2.468 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.768 -0.041 -5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.674 1.483 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.503 0.093 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.034 2.696 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.506 2.316 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.867 0.332 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.394 0.708 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.994 3.065 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.156 -0.229 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.114 0.290 -1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.195 3.672 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.692 2.463 -1.476 1.00 0.00 H new ATOM 996 N ALA A 65 -6.005 -0.049 -8.397 1.00 0.00 N ATOM 997 CA ALA A 65 -5.333 -0.907 -9.357 1.00 0.00 C ATOM 998 C ALA A 65 -4.188 -1.671 -8.696 1.00 0.00 C ATOM 999 O ALA A 65 -3.912 -2.812 -9.067 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.824 -0.043 -10.514 1.00 0.00 C ATOM 0 H ALA A 65 -5.726 0.931 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.034 -1.648 -9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.317 -0.674 -11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.666 0.459 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.127 0.703 -10.132 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.518 -1.064 -7.714 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.418 -1.724 -7.033 1.00 0.00 C ATOM 1008 C ALA A 66 -2.930 -2.677 -5.957 1.00 0.00 C ATOM 1009 O ALA A 66 -2.326 -3.718 -5.712 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.516 -0.651 -6.441 1.00 0.00 C ATOM 0 H ALA A 66 -3.721 -0.122 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.852 -2.330 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.681 -1.123 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.135 -0.015 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.085 -0.046 -5.735 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.046 -2.328 -5.310 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.674 -3.193 -4.324 1.00 0.00 C ATOM 1018 C VAL A 67 -5.229 -4.438 -5.004 1.00 0.00 C ATOM 1019 O VAL A 67 -5.226 -5.511 -4.405 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.781 -2.409 -3.617 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.679 -3.318 -2.779 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.141 -1.370 -2.695 1.00 0.00 C ATOM 0 H VAL A 67 -4.532 -1.443 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.941 -3.517 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.396 -1.934 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.451 -2.720 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.147 -4.062 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.080 -3.821 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.922 -0.805 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.517 -1.874 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.527 -0.689 -3.285 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.700 -4.310 -6.246 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.205 -5.457 -6.989 1.00 0.00 C ATOM 1034 C ALA A 68 -5.104 -6.145 -7.800 1.00 0.00 C ATOM 1035 O ALA A 68 -5.319 -7.234 -8.330 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.350 -4.996 -7.891 1.00 0.00 C ATOM 0 H ALA A 68 -5.741 -3.426 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.573 -6.199 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.736 -5.847 -8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.147 -4.573 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.984 -4.239 -8.585 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.928 -5.518 -7.902 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.826 -6.044 -8.699 1.00 0.00 C ATOM 1044 C GLY A 69 -1.727 -6.713 -7.867 1.00 0.00 C ATOM 1045 O GLY A 69 -0.884 -7.404 -8.433 1.00 0.00 O ATOM 0 H GLY A 69 -3.718 -4.636 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.219 -6.767 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.387 -5.231 -9.277 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.719 -6.522 -6.543 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.631 -7.012 -5.693 1.00 0.00 C ATOM 1051 C GLU A 70 -1.147 -7.714 -4.437 1.00 0.00 C ATOM 1052 O GLU A 70 -0.411 -8.483 -3.828 1.00 0.00 O ATOM 1053 CB GLU A 70 0.253 -5.829 -5.286 1.00 0.00 C ATOM 1054 CG GLU A 70 1.077 -5.305 -6.463 1.00 0.00 C ATOM 1055 CD GLU A 70 2.212 -6.262 -6.813 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.101 -6.431 -5.951 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.197 -6.823 -7.931 1.00 0.00 O ATOM 0 H GLU A 70 -2.456 -6.030 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.062 -7.744 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.372 -5.026 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.922 -6.135 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.431 -5.170 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.487 -4.326 -6.216 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.393 -7.475 -4.025 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.921 -8.151 -2.848 1.00 0.00 C ATOM 1066 C ASP A 71 -2.937 -9.660 -3.078 1.00 0.00 C ATOM 1067 O ASP A 71 -3.615 -10.145 -3.984 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.328 -7.642 -2.534 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.923 -8.375 -1.336 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.213 -8.471 -0.309 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.078 -8.836 -1.450 1.00 0.00 O ATOM 0 H ASP A 71 -3.041 -6.832 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.278 -7.934 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.294 -6.572 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.970 -7.779 -3.404 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.189 -10.404 -2.260 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.136 -11.852 -2.377 1.00 0.00 C ATOM 1078 C GLY A 72 -1.065 -12.286 -3.371 1.00 0.00 C ATOM 1079 O GLY A 72 -1.003 -13.458 -3.744 1.00 0.00 O ATOM 0 H GLY A 72 -1.613 -10.021 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.929 -12.291 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.107 -12.229 -2.697 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.217 -11.344 -3.799 1.00 0.00 N ATOM 1084 CA ARG A 73 0.949 -11.662 -4.598 1.00 0.00 C ATOM 1085 C ARG A 73 1.981 -12.242 -3.640 1.00 0.00 C ATOM 1086 O ARG A 73 1.791 -12.175 -2.426 1.00 0.00 O ATOM 1087 CB ARG A 73 1.450 -10.414 -5.328 1.00 0.00 C ATOM 1088 CG ARG A 73 2.207 -9.473 -4.385 1.00 0.00 C ATOM 1089 CD ARG A 73 3.710 -9.567 -4.631 1.00 0.00 C ATOM 1090 NE ARG A 73 4.040 -8.999 -5.941 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.908 -9.491 -6.826 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.602 -10.599 -6.580 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.083 -8.860 -7.982 1.00 0.00 N ATOM 0 H ARG A 73 -0.327 -10.350 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 73 0.727 -12.389 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.103 -10.710 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.604 -9.886 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.871 -8.447 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.985 -9.730 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.249 -9.034 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.030 -10.608 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 73 3.557 -8.140 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.477 -11.094 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.260 -10.954 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.557 -8.010 -8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.744 -9.226 -8.668 1.00 0.00 H new ATOM 1107 N MET A 74 3.067 -12.807 -4.154 1.00 0.00 N ATOM 1108 CA MET A 74 4.060 -13.434 -3.307 1.00 0.00 C ATOM 1109 C MET A 74 5.362 -12.665 -3.417 1.00 0.00 C ATOM 1110 O MET A 74 5.913 -12.520 -4.505 1.00 0.00 O ATOM 1111 CB MET A 74 4.197 -14.903 -3.694 1.00 0.00 C ATOM 1112 CG MET A 74 5.047 -15.643 -2.669 1.00 0.00 C ATOM 1113 SD MET A 74 4.812 -17.438 -2.685 1.00 0.00 S ATOM 1114 CE MET A 74 3.131 -17.499 -2.002 1.00 0.00 C ATOM 0 H MET A 74 3.277 -12.841 -5.152 1.00 0.00 H new ATOM 0 HA MET A 74 3.758 -13.408 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.211 -15.363 -3.758 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.652 -14.985 -4.681 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.098 -15.422 -2.855 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.812 -15.264 -1.674 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.690 -18.474 -2.208 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.170 -17.338 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.522 -16.721 -2.463 1.00 0.00 H new ATOM 1124 N ILE A 75 5.849 -12.172 -2.277 1.00 0.00 N ATOM 1125 CA ILE A 75 7.095 -11.427 -2.226 1.00 0.00 C ATOM 1126 C ILE A 75 7.994 -12.011 -1.146 1.00 0.00 C ATOM 1127 O ILE A 75 7.541 -12.308 -0.045 1.00 0.00 O ATOM 1128 CB ILE A 75 6.782 -9.932 -2.046 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.067 -9.232 -3.379 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.584 -9.313 -0.899 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.735 -7.736 -3.361 1.00 0.00 C ATOM 0 H ILE A 75 5.390 -12.280 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 75 7.650 -11.516 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 75 5.734 -9.805 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.120 -9.361 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.489 -9.716 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.332 -8.257 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.342 -9.826 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.650 -9.415 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.960 -7.302 -4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.676 -7.601 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.332 -7.240 -2.596 1.00 0.00 H new ATOM 1143 N ALA A 76 9.282 -12.179 -1.467 1.00 0.00 N ATOM 1144 CA ALA A 76 10.241 -12.839 -0.596 1.00 0.00 C ATOM 1145 C ALA A 76 9.778 -14.239 -0.176 1.00 0.00 C ATOM 1146 O ALA A 76 10.281 -14.794 0.798 1.00 0.00 O ATOM 1147 CB ALA A 76 10.556 -11.946 0.601 1.00 0.00 C ATOM 0 H ALA A 76 9.684 -11.856 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 76 11.163 -12.993 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.275 -12.447 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.978 -11.004 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.641 -11.749 1.159 1.00 0.00 H new ATOM 1153 N GLY A 77 8.817 -14.812 -0.910 1.00 0.00 N ATOM 1154 CA GLY A 77 8.274 -16.128 -0.615 1.00 0.00 C ATOM 1155 C GLY A 77 7.086 -16.058 0.342 1.00 0.00 C ATOM 1156 O GLY A 77 6.561 -17.094 0.743 1.00 0.00 O ATOM 0 H GLY A 77 8.398 -14.368 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.963 -16.608 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.054 -16.752 -0.179 1.00 0.00 H new ATOM 1160 N GLN A 78 6.660 -14.847 0.716 1.00 0.00 N ATOM 1161 CA GLN A 78 5.555 -14.649 1.634 1.00 0.00 C ATOM 1162 C GLN A 78 4.479 -13.770 0.989 1.00 0.00 C ATOM 1163 O GLN A 78 4.775 -12.723 0.415 1.00 0.00 O ATOM 1164 CB GLN A 78 6.139 -14.071 2.924 1.00 0.00 C ATOM 1165 CG GLN A 78 5.078 -13.610 3.922 1.00 0.00 C ATOM 1166 CD GLN A 78 5.237 -12.115 4.171 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.116 -11.323 3.113 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.468 -11.679 5.295 1.00 0.00 N flip ATOM 0 H GLN A 78 7.080 -13.979 0.384 1.00 0.00 H new ATOM 0 HA GLN A 78 5.049 -15.584 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.769 -14.824 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.783 -13.228 2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.081 -13.822 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.180 -14.159 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.554 -12.321 6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.574 -10.675 5.441 1.00 0.00 H new ATOM 1177 N VAL A 79 3.219 -14.209 1.086 1.00 0.00 N ATOM 1178 CA VAL A 79 2.062 -13.526 0.517 1.00 0.00 C ATOM 1179 C VAL A 79 1.862 -12.172 1.182 1.00 0.00 C ATOM 1180 O VAL A 79 2.040 -12.048 2.393 1.00 0.00 O ATOM 1181 CB VAL A 79 0.819 -14.405 0.709 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.406 -13.756 0.075 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.019 -15.767 0.051 1.00 0.00 C ATOM 0 H VAL A 79 2.975 -15.070 1.575 1.00 0.00 H new ATOM 0 HA VAL A 79 2.228 -13.357 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 79 0.667 -14.522 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.275 -14.397 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.586 -12.787 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.234 -13.620 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.127 -16.376 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.196 -15.633 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.877 -16.266 0.501 1.00 0.00 H new ATOM 1193 N LEU A 80 1.487 -11.159 0.395 1.00 0.00 N ATOM 1194 CA LEU A 80 1.206 -9.830 0.919 1.00 0.00 C ATOM 1195 C LEU A 80 -0.287 -9.632 1.163 1.00 0.00 C ATOM 1196 O LEU A 80 -1.120 -10.295 0.548 1.00 0.00 O ATOM 1197 CB LEU A 80 1.724 -8.752 -0.036 1.00 0.00 C ATOM 1198 CG LEU A 80 3.200 -8.919 -0.384 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.660 -7.682 -1.150 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.055 -9.054 0.869 1.00 0.00 C ATOM 0 H LEU A 80 1.372 -11.241 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 80 1.724 -9.739 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.136 -8.775 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.572 -7.772 0.416 1.00 0.00 H new ATOM 0 HG LEU A 80 3.314 -9.824 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.714 -7.784 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.072 -7.580 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.522 -6.797 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.101 -9.171 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.944 -8.160 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.733 -9.927 1.437 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.615 -8.707 2.066 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.987 -8.313 2.338 1.00 0.00 C ATOM 1214 C ASP A 81 -2.091 -6.810 2.114 1.00 0.00 C ATOM 1215 O ASP A 81 -1.655 -6.018 2.948 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.388 -8.721 3.757 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.652 -10.223 3.832 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -3.793 -10.608 3.504 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -1.719 -10.966 4.213 1.00 0.00 O ATOM 0 H ASP A 81 0.074 -8.210 2.631 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.681 -8.820 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.597 -8.450 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.281 -8.174 4.059 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.671 -6.426 0.974 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.662 -5.053 0.502 1.00 0.00 C ATOM 1226 C ILE A 82 -4.087 -4.517 0.395 1.00 0.00 C ATOM 1227 O ILE A 82 -4.991 -5.227 -0.045 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.916 -5.017 -0.832 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.452 -5.390 -0.563 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.982 -3.627 -1.465 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.241 -5.840 -1.836 1.00 0.00 C ATOM 0 H ILE A 82 -3.162 -7.070 0.353 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.146 -4.401 1.207 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.378 -5.720 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.074 -4.532 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.407 -6.186 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.443 -3.633 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.023 -3.357 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.527 -2.899 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.277 -6.098 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.272 -6.713 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.216 -5.033 -2.568 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.286 -3.261 0.801 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.593 -2.612 0.792 1.00 0.00 C ATOM 1245 C ASN A 83 -5.428 -1.093 0.855 1.00 0.00 C ATOM 1246 O ASN A 83 -4.323 -0.598 1.055 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.399 -3.119 1.993 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.632 -2.991 3.299 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.105 -3.972 3.817 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.561 -1.787 3.851 1.00 0.00 N ATOM 0 H ASN A 83 -3.536 -2.663 1.148 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.123 -2.854 -0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.331 -2.558 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.667 -4.163 1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.059 -1.657 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.009 -0.991 3.397 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.525 -0.346 0.690 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.486 1.104 0.810 1.00 0.00 C ATOM 1259 C LEU A 84 -6.124 1.481 2.243 1.00 0.00 C ATOM 1260 O LEU A 84 -6.439 0.748 3.177 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.847 1.729 0.479 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.296 1.637 -0.983 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.229 2.200 -1.915 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -8.637 0.207 -1.398 1.00 0.00 C ATOM 0 H LEU A 84 -7.446 -0.727 0.474 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.743 1.479 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.604 1.251 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.819 2.781 0.763 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.204 2.235 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.571 2.124 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.047 3.246 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.306 1.633 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.949 0.196 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.759 -0.427 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.447 -0.170 -0.773 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.467 2.626 2.418 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.112 3.130 3.738 1.00 0.00 C ATOM 1278 C ALA A 85 -6.343 3.597 4.525 1.00 0.00 C ATOM 1279 O ALA A 85 -6.204 4.113 5.632 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.091 4.258 3.584 1.00 0.00 C ATOM 0 H ALA A 85 -5.168 3.227 1.650 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.670 2.317 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.820 4.641 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.200 3.877 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.524 5.062 2.989 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.546 3.421 3.967 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.785 3.835 4.606 1.00 0.00 C ATOM 1288 C ALA A 86 -9.886 2.782 4.477 1.00 0.00 C ATOM 1289 O ALA A 86 -10.977 2.964 5.012 1.00 0.00 O ATOM 1290 CB ALA A 86 -9.231 5.152 3.971 1.00 0.00 C ATOM 0 H ALA A 86 -7.680 2.985 3.055 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.603 3.962 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.160 5.483 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.460 5.908 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.391 5.005 2.903 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.609 1.682 3.772 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.557 0.592 3.603 1.00 0.00 C ATOM 1298 C GLU A 87 -9.816 -0.739 3.706 1.00 0.00 C ATOM 1299 O GLU A 87 -9.660 -1.441 2.708 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.293 0.709 2.262 1.00 0.00 C ATOM 1301 CG GLU A 87 -12.109 2.001 2.175 1.00 0.00 C ATOM 1302 CD GLU A 87 -12.940 2.062 0.895 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.694 1.233 -0.010 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -13.822 2.943 0.822 1.00 0.00 O ATOM 0 H GLU A 87 -8.716 1.528 3.303 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.308 0.645 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.570 0.679 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.954 -0.148 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.768 2.073 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.437 2.858 2.213 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.347 -1.098 4.907 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.645 -2.347 5.143 1.00 0.00 C ATOM 1313 C PRO A 88 -9.579 -3.511 4.831 1.00 0.00 C ATOM 1314 O PRO A 88 -10.783 -3.422 5.070 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.168 -2.286 6.596 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.127 -1.296 7.258 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.470 -0.326 6.130 1.00 0.00 C ATOM 0 HA PRO A 88 -7.778 -2.498 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.213 -3.265 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.134 -1.946 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.016 -1.795 7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.659 -0.785 8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.479 0.069 6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.792 0.527 6.126 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.019 -4.603 4.294 1.00 0.00 N ATOM 1326 CA LYS A 89 -9.805 -5.703 3.747 1.00 0.00 C ATOM 1327 C LYS A 89 -10.845 -6.230 4.732 1.00 0.00 C ATOM 1328 O LYS A 89 -12.038 -6.124 4.462 1.00 0.00 O ATOM 1329 CB LYS A 89 -8.892 -6.825 3.242 1.00 0.00 C ATOM 1330 CG LYS A 89 -7.696 -7.104 4.164 1.00 0.00 C ATOM 1331 CD LYS A 89 -6.963 -8.370 3.713 1.00 0.00 C ATOM 1332 CE LYS A 89 -6.348 -8.180 2.327 1.00 0.00 C ATOM 1333 NZ LYS A 89 -5.695 -9.415 1.852 1.00 0.00 N ATOM 0 H LYS A 89 -8.011 -4.743 4.229 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.362 -5.306 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.478 -7.738 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.523 -6.563 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.012 -6.255 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.040 -7.221 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.181 -8.618 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.657 -9.210 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.124 -7.882 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.619 -7.371 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.132 -9.206 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.072 -9.787 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.420 -10.124 1.620 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.402 -6.787 5.861 1.00 0.00 N ATOM 1348 CA VAL A 90 -11.309 -7.267 6.896 1.00 0.00 C ATOM 1349 C VAL A 90 -10.681 -7.089 8.272 1.00 0.00 C ATOM 1350 O VAL A 90 -11.372 -6.740 9.230 1.00 0.00 O ATOM 1351 CB VAL A 90 -11.619 -8.753 6.686 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -12.563 -9.234 7.787 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -12.279 -9.024 5.336 1.00 0.00 C ATOM 0 H VAL A 90 -9.414 -6.916 6.079 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.230 -6.688 6.834 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.670 -9.288 6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.785 -10.291 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.089 -9.095 8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.489 -8.660 7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.478 -10.091 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.217 -8.472 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.614 -8.702 4.535 1.00 0.00 H new ATOM 1363 N ASN A 91 -9.371 -7.329 8.379 1.00 0.00 N ATOM 1364 CA ASN A 91 -8.670 -7.281 9.647 1.00 0.00 C ATOM 1365 C ASN A 91 -7.337 -6.539 9.515 1.00 0.00 C ATOM 1366 O ASN A 91 -6.869 -6.273 8.409 1.00 0.00 O ATOM 1367 CB ASN A 91 -8.410 -8.705 10.152 1.00 0.00 C ATOM 1368 CG ASN A 91 -9.698 -9.488 10.370 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -10.411 -9.275 11.346 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -10.002 -10.402 9.454 1.00 0.00 N ATOM 0 H ASN A 91 -8.775 -7.561 7.585 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.297 -6.743 10.358 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.784 -9.234 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.853 -8.660 11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.854 -10.955 9.549 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.384 -10.550 8.656 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.736 -6.221 10.665 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.390 -5.679 10.776 1.00 0.00 C ATOM 1379 C ARG A 92 -4.672 -6.511 11.836 1.00 0.00 C ATOM 1380 O ARG A 92 -4.648 -6.141 13.011 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.443 -4.204 11.167 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.007 -3.686 11.235 1.00 0.00 C ATOM 1383 CD ARG A 92 -3.937 -2.253 11.748 1.00 0.00 C ATOM 1384 NE ARG A 92 -4.479 -2.136 13.107 1.00 0.00 N ATOM 1385 CZ ARG A 92 -3.764 -2.286 14.226 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -2.461 -2.550 14.191 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -4.361 -2.169 15.409 1.00 0.00 N ATOM 0 H ARG A 92 -7.192 -6.340 11.570 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.858 -5.732 9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.020 -3.636 10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.939 -4.082 12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.420 -4.333 11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.556 -3.738 10.244 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.901 -1.913 11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.493 -1.599 11.077 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.472 -1.925 13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.983 -2.643 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.939 -2.660 15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.359 -1.966 15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.820 -2.282 16.266 1.00 0.00 H new ATOM 1401 N GLY A 93 -4.093 -7.638 11.421 1.00 0.00 N ATOM 1402 CA GLY A 93 -3.484 -8.585 12.343 1.00 0.00 C ATOM 1403 C GLY A 93 -1.966 -8.529 12.305 1.00 0.00 C ATOM 1404 O GLY A 93 -1.380 -7.450 12.372 1.00 0.00 O ATOM 0 H GLY A 93 -4.035 -7.915 10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.828 -8.376 13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.815 -9.594 12.096 1.00 0.00 H new ATOM 1408 N LYS A 94 -1.333 -9.701 12.202 1.00 0.00 N ATOM 1409 CA LYS A 94 0.116 -9.818 12.150 1.00 0.00 C ATOM 1410 C LYS A 94 0.567 -10.739 11.017 1.00 0.00 C ATOM 1411 O LYS A 94 1.684 -10.601 10.520 1.00 0.00 O ATOM 1412 CB LYS A 94 0.589 -10.342 13.499 1.00 0.00 C ATOM 1413 CG LYS A 94 2.106 -10.218 13.575 1.00 0.00 C ATOM 1414 CD LYS A 94 2.572 -10.547 14.990 1.00 0.00 C ATOM 1415 CE LYS A 94 4.099 -10.512 15.075 1.00 0.00 C ATOM 1416 NZ LYS A 94 4.633 -9.164 14.802 1.00 0.00 N ATOM 0 H LYS A 94 -1.819 -10.596 12.153 1.00 0.00 H new ATOM 0 HA LYS A 94 0.556 -8.842 11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.124 -9.777 14.307 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.289 -11.382 13.625 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.573 -10.895 12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.413 -9.208 13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.147 -9.832 15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.209 -11.533 15.278 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.415 -10.834 16.067 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.519 -11.221 14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.647 -9.139 15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.501 -8.936 13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.128 -8.466 15.384 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.293 -11.677 10.611 1.00 0.00 N ATOM 1431 CA ALA A 95 0.024 -12.616 9.548 1.00 0.00 C ATOM 1432 C ALA A 95 -1.246 -13.042 8.813 1.00 0.00 C ATOM 1433 O ALA A 95 -2.294 -13.223 9.432 1.00 0.00 O ATOM 1434 CB ALA A 95 0.717 -13.834 10.160 1.00 0.00 C ATOM 0 H ALA A 95 -1.223 -11.801 11.012 1.00 0.00 H new ATOM 0 HA ALA A 95 0.686 -12.139 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.961 -14.548 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.633 -13.519 10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.052 -14.305 10.884 1.00 0.00 H new ATOM 1440 N GLY A 96 -1.147 -13.200 7.491 1.00 0.00 N ATOM 1441 CA GLY A 96 -2.261 -13.639 6.665 1.00 0.00 C ATOM 1442 C GLY A 96 -2.361 -15.159 6.598 1.00 0.00 C ATOM 1443 O GLY A 96 -3.279 -15.687 5.974 1.00 0.00 O ATOM 0 H GLY A 96 -0.289 -13.026 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.190 -13.232 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.145 -13.239 5.658 1.00 0.00 H new ATOM 1447 N VAL A 97 -1.421 -15.862 7.238 1.00 0.00 N ATOM 1448 CA VAL A 97 -1.408 -17.316 7.268 1.00 0.00 C ATOM 1449 C VAL A 97 -1.411 -17.789 8.718 1.00 0.00 C ATOM 1450 O VAL A 97 -0.722 -17.220 9.564 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.194 -17.848 6.497 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -0.257 -19.371 6.396 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -0.167 -17.270 5.083 1.00 0.00 C ATOM 0 H VAL A 97 -0.650 -15.432 7.748 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.300 -17.708 6.780 1.00 0.00 H new ATOM 0 HB VAL A 97 0.705 -17.548 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.611 -19.735 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.260 -19.802 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.167 -19.664 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.700 -17.657 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.076 -17.557 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.106 -16.183 5.135 1.00 0.00 H new ATOM 1463 N LYS A 98 -2.196 -18.835 8.995 1.00 0.00 N ATOM 1464 CA LYS A 98 -2.367 -19.394 10.333 1.00 0.00 C ATOM 1465 C LYS A 98 -1.898 -20.848 10.388 1.00 0.00 C ATOM 1466 O LYS A 98 -2.405 -21.636 11.188 1.00 0.00 O ATOM 1467 CB LYS A 98 -3.829 -19.240 10.776 1.00 0.00 C ATOM 1468 CG LYS A 98 -4.308 -17.785 10.731 1.00 0.00 C ATOM 1469 CD LYS A 98 -3.525 -16.896 11.700 1.00 0.00 C ATOM 1470 CE LYS A 98 -3.990 -15.443 11.607 1.00 0.00 C ATOM 1471 NZ LYS A 98 -5.395 -15.293 12.029 1.00 0.00 N ATOM 0 H LYS A 98 -2.738 -19.323 8.282 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.742 -18.840 11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.466 -19.848 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.940 -19.624 11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.201 -17.399 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.369 -17.744 10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.656 -17.259 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.460 -16.956 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.353 -14.816 12.232 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.878 -15.090 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.616 -14.284 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.020 -15.701 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.541 -15.788 12.932 1.00 0.00 H new ATOM 1485 N ARG A 99 -0.935 -21.206 9.535 1.00 0.00 N ATOM 1486 CA ARG A 99 -0.415 -22.562 9.420 1.00 0.00 C ATOM 1487 C ARG A 99 1.110 -22.527 9.320 1.00 0.00 C ATOM 1488 O ARG A 99 1.701 -21.453 9.230 1.00 0.00 O ATOM 1489 CB ARG A 99 -1.053 -23.221 8.187 1.00 0.00 C ATOM 1490 CG ARG A 99 -1.065 -24.751 8.254 1.00 0.00 C ATOM 1491 CD ARG A 99 -1.949 -25.248 9.397 1.00 0.00 C ATOM 1492 NE ARG A 99 -1.980 -26.715 9.430 1.00 0.00 N ATOM 1493 CZ ARG A 99 -2.830 -27.438 10.164 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -3.738 -26.851 10.941 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -2.769 -28.767 10.122 1.00 0.00 N ATOM 0 H ARG A 99 -0.490 -20.547 8.896 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.667 -23.149 10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.076 -22.861 8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.510 -22.908 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.427 -25.156 7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.048 -25.119 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.573 -24.866 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.961 -24.861 9.276 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.306 -27.217 8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.792 -25.833 10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.379 -27.419 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.076 -29.227 9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.415 -29.325 10.680 1.00 0.00 H new ATOM 1509 N SER A 100 1.748 -23.699 9.330 1.00 0.00 N ATOM 1510 CA SER A 100 3.195 -23.827 9.224 1.00 0.00 C ATOM 1511 C SER A 100 3.730 -23.246 7.920 1.00 0.00 C ATOM 1512 O SER A 100 4.924 -22.972 7.822 1.00 0.00 O ATOM 1513 CB SER A 100 3.556 -25.311 9.297 1.00 0.00 C ATOM 1514 OG SER A 100 3.227 -25.827 10.568 1.00 0.00 O ATOM 0 H SER A 100 1.265 -24.594 9.413 1.00 0.00 H new ATOM 0 HA SER A 100 3.648 -23.268 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.022 -25.862 8.523 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.621 -25.444 9.106 1.00 0.00 H new ATOM 0 HG SER A 100 3.460 -26.778 10.605 1.00 0.00 H new ATOM 1520 N ALA A 101 2.858 -23.056 6.921 1.00 0.00 N ATOM 1521 CA ALA A 101 3.229 -22.568 5.599 1.00 0.00 C ATOM 1522 C ALA A 101 4.364 -23.380 4.965 1.00 0.00 C ATOM 1523 O ALA A 101 4.994 -22.930 4.009 1.00 0.00 O ATOM 1524 CB ALA A 101 3.534 -21.069 5.669 1.00 0.00 C ATOM 0 H ALA A 101 1.860 -23.242 7.017 1.00 0.00 H new ATOM 0 HA ALA A 101 2.380 -22.710 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.811 -20.707 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.650 -20.534 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.358 -20.897 6.362 1.00 0.00 H new ATOM 1530 N ALA A 102 4.627 -24.579 5.498 1.00 0.00 N ATOM 1531 CA ALA A 102 5.699 -25.439 5.024 1.00 0.00 C ATOM 1532 C ALA A 102 5.342 -26.918 5.181 1.00 0.00 C ATOM 1533 O ALA A 102 6.178 -27.784 4.930 1.00 0.00 O ATOM 1534 CB ALA A 102 6.978 -25.107 5.795 1.00 0.00 C ATOM 0 H ALA A 102 4.095 -24.975 6.273 1.00 0.00 H new ATOM 0 HA ALA A 102 5.853 -25.258 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.789 -25.747 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.243 -24.063 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.815 -25.275 6.860 1.00 0.00 H new ATOM 1540 N GLU A 103 4.106 -27.223 5.595 1.00 0.00 N ATOM 1541 CA GLU A 103 3.680 -28.599 5.821 1.00 0.00 C ATOM 1542 C GLU A 103 3.475 -29.358 4.505 1.00 0.00 C ATOM 1543 O GLU A 103 3.255 -30.566 4.515 1.00 0.00 O ATOM 1544 CB GLU A 103 2.396 -28.609 6.656 1.00 0.00 C ATOM 1545 CG GLU A 103 1.253 -27.876 5.948 1.00 0.00 C ATOM 1546 CD GLU A 103 -0.065 -28.045 6.703 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -0.034 -28.002 7.955 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -1.100 -28.218 6.022 1.00 0.00 O ATOM 0 H GLU A 103 3.384 -26.527 5.780 1.00 0.00 H new ATOM 0 HA GLU A 103 4.471 -29.114 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.100 -29.639 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.586 -28.140 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.494 -26.816 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.145 -28.259 4.933 1.00 0.00 H new ATOM 1555 N MET A 104 3.550 -28.648 3.378 1.00 0.00 N ATOM 1556 CA MET A 104 3.376 -29.221 2.051 1.00 0.00 C ATOM 1557 C MET A 104 4.721 -29.491 1.377 1.00 0.00 C ATOM 1558 O MET A 104 4.757 -29.878 0.208 1.00 0.00 O ATOM 1559 CB MET A 104 2.503 -28.295 1.201 1.00 0.00 C ATOM 1560 CG MET A 104 1.100 -28.175 1.798 1.00 0.00 C ATOM 1561 SD MET A 104 0.010 -27.018 0.931 1.00 0.00 S ATOM 1562 CE MET A 104 0.842 -25.466 1.353 1.00 0.00 C ATOM 0 H MET A 104 3.736 -27.645 3.366 1.00 0.00 H new ATOM 0 HA MET A 104 2.874 -30.183 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.963 -27.309 1.140 1.00 0.00 H new ATOM 0 HB3 MET A 104 2.439 -28.681 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.634 -29.161 1.800 1.00 0.00 H new ATOM 0 HG3 MET A 104 1.187 -27.862 2.838 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.173 -24.629 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 104 1.111 -25.473 2.409 1.00 0.00 H new ATOM 0 HE3 MET A 104 1.744 -25.361 0.750 1.00 0.00 H new ATOM 1572 N TYR A 105 5.829 -29.285 2.101 1.00 0.00 N ATOM 1573 CA TYR A 105 7.171 -29.459 1.562 1.00 0.00 C ATOM 1574 C TYR A 105 8.051 -30.285 2.504 1.00 0.00 C ATOM 1575 O TYR A 105 9.245 -30.442 2.251 1.00 0.00 O ATOM 1576 CB TYR A 105 7.790 -28.086 1.301 1.00 0.00 C ATOM 1577 CG TYR A 105 6.919 -27.170 0.471 1.00 0.00 C ATOM 1578 CD1 TYR A 105 6.994 -27.197 -0.931 1.00 0.00 C ATOM 1579 CD2 TYR A 105 6.027 -26.298 1.109 1.00 0.00 C ATOM 1580 CE1 TYR A 105 6.178 -26.352 -1.693 1.00 0.00 C ATOM 1581 CE2 TYR A 105 5.207 -25.448 0.353 1.00 0.00 C ATOM 1582 CZ TYR A 105 5.277 -25.476 -1.054 1.00 0.00 C ATOM 1583 OH TYR A 105 4.480 -24.653 -1.793 1.00 0.00 O ATOM 0 H TYR A 105 5.813 -28.993 3.078 1.00 0.00 H new ATOM 0 HA TYR A 105 7.104 -30.010 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.999 -27.605 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.746 -28.219 0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.681 -27.870 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.971 -26.280 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.239 -26.371 -2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.524 -24.774 0.848 1.00 0.00 H new ATOM 0 HH TYR A 105 3.919 -24.117 -1.194 1.00 0.00 H new ATOM 1593 N GLY A 106 7.468 -30.810 3.587 1.00 0.00 N ATOM 1594 CA GLY A 106 8.188 -31.611 4.564 1.00 0.00 C ATOM 1595 C GLY A 106 7.240 -32.145 5.626 1.00 0.00 C ATOM 1596 O GLY A 106 6.041 -31.876 5.580 1.00 0.00 O ATOM 1597 OXT GLY A 106 7.642 -32.847 6.538 1.00 0.00 O ATOM 0 H GLY A 106 6.479 -30.687 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.687 -32.441 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.965 -31.008 5.034 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 3.030 -7.609 9.095 1.00 0.00 O ATOM 1603 C5' U B 1 2.482 -6.824 10.130 1.00 0.00 C ATOM 1604 C4' U B 1 2.025 -5.470 9.587 1.00 0.00 C ATOM 1605 O4' U B 1 1.202 -5.649 8.441 1.00 0.00 O ATOM 1606 C3' U B 1 1.188 -4.768 10.655 1.00 0.00 C ATOM 1607 O3' U B 1 1.266 -3.358 10.544 1.00 0.00 O ATOM 1608 C2' U B 1 -0.195 -5.313 10.321 1.00 0.00 C ATOM 1609 O2' U B 1 -1.233 -4.429 10.670 1.00 0.00 O ATOM 1610 C1' U B 1 -0.160 -5.515 8.813 1.00 0.00 C ATOM 1611 N1 U B 1 -0.984 -6.683 8.413 1.00 0.00 N ATOM 1612 C2 U B 1 -2.059 -6.464 7.558 1.00 0.00 C ATOM 1613 O2 U B 1 -2.336 -5.354 7.113 1.00 0.00 O ATOM 1614 N3 U B 1 -2.820 -7.569 7.219 1.00 0.00 N ATOM 1615 C4 U B 1 -2.609 -8.864 7.659 1.00 0.00 C ATOM 1616 O4 U B 1 -3.349 -9.775 7.299 1.00 0.00 O ATOM 1617 C5 U B 1 -1.474 -9.003 8.543 1.00 0.00 C ATOM 1618 C6 U B 1 -0.712 -7.938 8.884 1.00 0.00 C ATOM 0 H5' U B 1 3.224 -6.677 10.915 1.00 0.00 H new ATOM 0 H5'' U B 1 1.638 -7.345 10.583 1.00 0.00 H new ATOM 0 H4' U B 1 2.905 -4.883 9.323 1.00 0.00 H new ATOM 0 H3' U B 1 1.502 -4.952 11.682 1.00 0.00 H new ATOM 0 H2' U B 1 -0.402 -6.225 10.881 1.00 0.00 H new ATOM 0 HO2' U B 1 -1.047 -4.037 11.549 1.00 0.00 H new ATOM 0 HO5' U B 1 3.372 -7.024 8.387 1.00 0.00 H new ATOM 0 H1' U B 1 -0.595 -4.663 8.291 1.00 0.00 H new ATOM 0 H3 U B 1 -3.607 -7.415 6.588 1.00 0.00 H new ATOM 0 H5 U B 1 -1.229 -9.977 8.940 1.00 0.00 H new ATOM 0 H6 U B 1 0.131 -8.082 9.544 1.00 0.00 H new ATOM 1629 P U B 2 0.988 -2.425 11.833 1.00 0.00 P ATOM 1630 OP1 U B 2 2.141 -2.570 12.749 1.00 0.00 O ATOM 1631 OP2 U B 2 -0.374 -2.719 12.338 1.00 0.00 O ATOM 1632 O5' U B 2 0.991 -0.916 11.264 1.00 0.00 O ATOM 1633 C5' U B 2 0.040 -0.506 10.304 1.00 0.00 C ATOM 1634 C4' U B 2 -0.019 1.019 10.203 1.00 0.00 C ATOM 1635 O4' U B 2 -0.793 1.366 9.063 1.00 0.00 O ATOM 1636 C3' U B 2 -0.739 1.604 11.423 1.00 0.00 C ATOM 1637 O3' U B 2 -0.409 2.967 11.631 1.00 0.00 O ATOM 1638 C2' U B 2 -2.186 1.500 10.960 1.00 0.00 C ATOM 1639 O2' U B 2 -3.036 2.368 11.682 1.00 0.00 O ATOM 1640 C1' U B 2 -2.037 1.896 9.498 1.00 0.00 C ATOM 1641 N1 U B 2 -3.172 1.453 8.656 1.00 0.00 N ATOM 1642 C2 U B 2 -3.790 2.420 7.872 1.00 0.00 C ATOM 1643 O2 U B 2 -3.427 3.594 7.852 1.00 0.00 O ATOM 1644 N3 U B 2 -4.856 1.998 7.098 1.00 0.00 N ATOM 1645 C4 U B 2 -5.346 0.708 7.027 1.00 0.00 C ATOM 1646 O4 U B 2 -6.287 0.446 6.285 1.00 0.00 O ATOM 1647 C5 U B 2 -4.657 -0.232 7.879 1.00 0.00 C ATOM 1648 C6 U B 2 -3.614 0.155 8.652 1.00 0.00 C ATOM 0 H5' U B 2 -0.943 -0.894 10.572 1.00 0.00 H new ATOM 0 H5'' U B 2 0.295 -0.928 9.332 1.00 0.00 H new ATOM 0 H4' U B 2 0.998 1.406 10.141 1.00 0.00 H new ATOM 0 H3' U B 2 -0.496 1.102 12.359 1.00 0.00 H new ATOM 0 H2' U B 2 -2.648 0.524 11.111 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.506 3.093 12.075 1.00 0.00 H new ATOM 0 H1' U B 2 -2.050 2.981 9.398 1.00 0.00 H new ATOM 0 H3 U B 2 -5.323 2.703 6.528 1.00 0.00 H new ATOM 0 H5 U B 2 -4.979 -1.263 7.900 1.00 0.00 H new ATOM 0 H6 U B 2 -3.121 -0.574 9.278 1.00 0.00 H new ATOM 1659 P U B 3 0.816 3.417 12.578 1.00 0.00 P ATOM 1660 OP1 U B 3 1.366 2.214 13.243 1.00 0.00 O ATOM 1661 OP2 U B 3 0.343 4.554 13.403 1.00 0.00 O ATOM 1662 O5' U B 3 1.925 3.984 11.555 1.00 0.00 O ATOM 1663 C5' U B 3 3.016 3.194 11.132 1.00 0.00 C ATOM 1664 C4' U B 3 3.935 3.965 10.179 1.00 0.00 C ATOM 1665 O4' U B 3 3.344 4.059 8.890 1.00 0.00 O ATOM 1666 C3' U B 3 4.210 5.384 10.673 1.00 0.00 C ATOM 1667 O3' U B 3 5.529 5.746 10.303 1.00 0.00 O ATOM 1668 C2' U B 3 3.155 6.191 9.922 1.00 0.00 C ATOM 1669 O2' U B 3 3.551 7.529 9.699 1.00 0.00 O ATOM 1670 C1' U B 3 3.035 5.416 8.615 1.00 0.00 C ATOM 1671 N1 U B 3 1.679 5.525 8.036 1.00 0.00 N ATOM 1672 C2 U B 3 1.557 6.059 6.763 1.00 0.00 C ATOM 1673 O2 U B 3 2.528 6.429 6.101 1.00 0.00 O ATOM 1674 N3 U B 3 0.269 6.163 6.259 1.00 0.00 N ATOM 1675 C4 U B 3 -0.888 5.776 6.911 1.00 0.00 C ATOM 1676 O4 U B 3 -1.983 5.911 6.370 1.00 0.00 O ATOM 1677 C5 U B 3 -0.668 5.227 8.227 1.00 0.00 C ATOM 1678 C6 U B 3 0.578 5.116 8.741 1.00 0.00 C ATOM 0 H5' U B 3 2.646 2.297 10.635 1.00 0.00 H new ATOM 0 H5'' U B 3 3.586 2.865 12.001 1.00 0.00 H new ATOM 0 H4' U B 3 4.874 3.413 10.136 1.00 0.00 H new ATOM 0 H3' U B 3 4.150 5.529 11.752 1.00 0.00 H new ATOM 0 H2' U B 3 2.218 6.286 10.471 1.00 0.00 H new ATOM 0 HO2' U B 3 4.274 7.764 10.317 1.00 0.00 H new ATOM 0 H1' U B 3 3.725 5.832 7.881 1.00 0.00 H new ATOM 0 H3 U B 3 0.166 6.560 5.325 1.00 0.00 H new ATOM 0 H5 U B 3 -1.514 4.899 8.812 1.00 0.00 H new ATOM 0 H6 U B 3 0.708 4.696 9.728 1.00 0.00 H new ATOM 1689 P U B 4 6.402 6.753 11.208 1.00 0.00 P ATOM 1690 OP1 U B 4 6.679 6.088 12.504 1.00 0.00 O ATOM 1691 OP2 U B 4 5.759 8.085 11.189 1.00 0.00 O ATOM 1692 O5' U B 4 7.775 6.834 10.373 1.00 0.00 O ATOM 1693 C5' U B 4 8.613 5.701 10.274 1.00 0.00 C ATOM 1694 C4' U B 4 9.687 5.873 9.194 1.00 0.00 C ATOM 1695 O4' U B 4 9.085 6.185 7.946 1.00 0.00 O ATOM 1696 C3' U B 4 10.672 6.993 9.523 1.00 0.00 C ATOM 1697 O3' U B 4 11.921 6.704 8.926 1.00 0.00 O ATOM 1698 C2' U B 4 10.003 8.179 8.839 1.00 0.00 C ATOM 1699 O2' U B 4 10.940 9.192 8.527 1.00 0.00 O ATOM 1700 C1' U B 4 9.385 7.532 7.603 1.00 0.00 C ATOM 1701 N1 U B 4 8.185 8.283 7.178 1.00 0.00 N ATOM 1702 C2 U B 4 8.385 9.452 6.460 1.00 0.00 C ATOM 1703 O2 U B 4 9.505 9.877 6.185 1.00 0.00 O ATOM 1704 N3 U B 4 7.245 10.128 6.066 1.00 0.00 N ATOM 1705 C4 U B 4 5.942 9.723 6.287 1.00 0.00 C ATOM 1706 O4 U B 4 5.006 10.374 5.837 1.00 0.00 O ATOM 1707 C5 U B 4 5.824 8.514 7.064 1.00 0.00 C ATOM 1708 C6 U B 4 6.922 7.851 7.484 1.00 0.00 C ATOM 0 H5' U B 4 8.009 4.822 10.048 1.00 0.00 H new ATOM 0 H5'' U B 4 9.092 5.519 11.236 1.00 0.00 H new ATOM 0 H4' U B 4 10.227 4.927 9.148 1.00 0.00 H new ATOM 0 H3' U B 4 10.868 7.149 10.584 1.00 0.00 H new ATOM 0 H2' U B 4 9.266 8.694 9.455 1.00 0.00 H new ATOM 0 HO2' U B 4 10.677 9.635 7.694 1.00 0.00 H new ATOM 0 H1' U B 4 10.070 7.549 6.756 1.00 0.00 H new ATOM 0 H3 U B 4 7.378 11.007 5.566 1.00 0.00 H new ATOM 0 H5 U B 4 4.844 8.134 7.313 1.00 0.00 H new ATOM 0 H6 U B 4 6.801 6.956 8.077 1.00 0.00 H new ATOM 1719 P C B 5 12.971 5.713 9.636 1.00 0.00 P ATOM 1720 OP1 C B 5 13.952 5.271 8.618 1.00 0.00 O ATOM 1721 OP2 C B 5 12.215 4.702 10.410 1.00 0.00 O ATOM 1722 O5' C B 5 13.715 6.688 10.677 1.00 0.00 O ATOM 1723 C5' C B 5 14.650 7.645 10.225 1.00 0.00 C ATOM 1724 C4' C B 5 15.167 8.471 11.406 1.00 0.00 C ATOM 1725 O4' C B 5 15.973 7.661 12.254 1.00 0.00 O ATOM 1726 C3' C B 5 16.056 9.606 10.897 1.00 0.00 C ATOM 1727 O3' C B 5 15.928 10.723 11.755 1.00 0.00 O ATOM 1728 C2' C B 5 17.444 8.992 11.012 1.00 0.00 C ATOM 1729 O2' C B 5 18.457 9.977 11.086 1.00 0.00 O ATOM 1730 C1' C B 5 17.280 8.208 12.308 1.00 0.00 C ATOM 1731 N1 C B 5 18.338 7.181 12.468 1.00 0.00 N ATOM 1732 C2 C B 5 18.300 6.025 11.692 1.00 0.00 C ATOM 1733 O2 C B 5 17.416 5.845 10.855 1.00 0.00 O ATOM 1734 N3 C B 5 19.267 5.087 11.867 1.00 0.00 N ATOM 1735 C4 C B 5 20.244 5.274 12.756 1.00 0.00 C ATOM 1736 N4 C B 5 21.166 4.327 12.886 1.00 0.00 N ATOM 1737 C5 C B 5 20.319 6.461 13.550 1.00 0.00 C ATOM 1738 C6 C B 5 19.347 7.380 13.373 1.00 0.00 C ATOM 0 H5' C B 5 14.185 8.300 9.488 1.00 0.00 H new ATOM 0 H5'' C B 5 15.482 7.146 9.728 1.00 0.00 H new ATOM 0 H4' C B 5 14.305 8.861 11.947 1.00 0.00 H new ATOM 0 H3' C B 5 15.819 9.958 9.893 1.00 0.00 H new ATOM 0 H2' C B 5 17.757 8.389 10.159 1.00 0.00 H new ATOM 0 HO2' C B 5 19.332 9.542 11.161 1.00 0.00 H new ATOM 0 HO3' C B 5 16.814 11.103 11.932 1.00 0.00 H new ATOM 0 H1' C B 5 17.393 8.842 13.187 1.00 0.00 H new ATOM 0 H41 C B 5 21.925 4.443 13.558 1.00 0.00 H new ATOM 0 H42 C B 5 21.115 3.484 12.314 1.00 0.00 H new ATOM 0 H5 C B 5 21.118 6.615 14.260 1.00 0.00 H new ATOM 0 H6 C B 5 19.365 8.289 13.956 1.00 0.00 H new TER 1750 C B 5