USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 803 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 46 TYR OH : rot 130:sc= 0.658 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 149:sc= 0.656 (180deg=-0.0291) USER MOD Set 2.1: A 41 TYR OH : rot 77:sc= 0.0859 USER MOD Set 2.2: A 63 ASN : amide:sc= 0.0158 K(o=0.1,f=-0.47) USER MOD Set 3.1: A 20 THR OG1 : rot 170:sc= -0.775 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= -0.841 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 133:sc= 0.698 USER MOD Single : A 14 MET CE :methyl -157:sc= -0.087 (180deg=-0.55) USER MOD Single : A 15 HIS : no HE2:sc= -0.159 K(o=-0.16,f=-0.82) USER MOD Single : A 16 GLN : amide:sc= -2.53! K(o=-2.5!,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0681 USER MOD Single : A 21 MET CE :methyl 158:sc= -0.0801 (180deg=-0.503) USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.053 USER MOD Single : A 27 SER OG : rot -42:sc= 0.649 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.95) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0275 (180deg=-0.226) USER MOD Single : A 50 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.057) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 54 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 55 SER OG : rot -88:sc= 0.463 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -127:sc= -1.83 (180deg=-3.46!) USER MOD Single : A 60 SER OG : rot -160:sc= 0.262 USER MOD Single : A 61 GLN : amide:sc= -0.509 K(o=-0.51,f=-3.5!) USER MOD Single : A 62 THR OG1 : rot 160:sc= -2.23! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -108:sc= -0.195 (180deg=-1.17) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.268 USER MOD Single : A 79 GLN : amide:sc= -5.75! C(o=-5.7!,f=-5.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0938 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 160:sc= -0.0493 USER MOD Single : A 95 MET CE :methyl -164:sc= -1.26 (180deg=-1.62!) USER MOD Single : A 96 CYS SG : rot 26:sc= 0.581 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 99 THR OG1 : rot -142:sc= -0.645 USER MOD Single : A 101 THR OG1 : rot -8:sc= 1.03 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 30:sc= 0.877 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.820 -16.466 2.228 1.00 0.00 N ATOM 2 CA GLY A 1 -14.380 -16.639 2.242 1.00 0.00 C ATOM 3 C GLY A 1 -13.670 -15.664 1.324 1.00 0.00 C ATOM 4 O GLY A 1 -13.309 -16.009 0.199 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.259 -17.156 2.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.057 -15.502 2.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.178 -16.616 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.011 -16.509 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.137 -17.658 1.942 1.00 0.00 H new ATOM 8 N SER A 2 -13.470 -14.440 1.805 1.00 0.00 N ATOM 9 CA SER A 2 -12.804 -13.410 1.017 1.00 0.00 C ATOM 10 C SER A 2 -11.575 -13.975 0.311 1.00 0.00 C ATOM 11 O SER A 2 -11.449 -13.880 -0.910 1.00 0.00 O ATOM 12 CB SER A 2 -12.397 -12.238 1.912 1.00 0.00 C ATOM 13 OG SER A 2 -12.052 -11.101 1.139 1.00 0.00 O ATOM 0 H SER A 2 -13.760 -14.139 2.735 1.00 0.00 H new ATOM 0 HA SER A 2 -13.505 -13.056 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.217 -11.989 2.585 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.551 -12.529 2.535 1.00 0.00 H new ATOM 0 HG SER A 2 -11.797 -10.366 1.735 1.00 0.00 H new ATOM 19 N SER A 3 -10.671 -14.563 1.088 1.00 0.00 N ATOM 20 CA SER A 3 -9.450 -15.141 0.539 1.00 0.00 C ATOM 21 C SER A 3 -9.662 -16.604 0.165 1.00 0.00 C ATOM 22 O SER A 3 -10.226 -17.379 0.937 1.00 0.00 O ATOM 23 CB SER A 3 -8.306 -15.021 1.547 1.00 0.00 C ATOM 24 OG SER A 3 -8.062 -13.666 1.883 1.00 0.00 O ATOM 0 H SER A 3 -10.761 -14.652 2.100 1.00 0.00 H new ATOM 0 HA SER A 3 -9.189 -14.588 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.550 -15.584 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.402 -15.464 1.130 1.00 0.00 H new ATOM 0 HG SER A 3 -7.328 -13.617 2.530 1.00 0.00 H new ATOM 30 N GLY A 4 -9.206 -16.976 -1.028 1.00 0.00 N ATOM 31 CA GLY A 4 -9.355 -18.345 -1.485 1.00 0.00 C ATOM 32 C GLY A 4 -8.388 -18.693 -2.599 1.00 0.00 C ATOM 33 O GLY A 4 -7.770 -19.757 -2.585 1.00 0.00 O ATOM 0 H GLY A 4 -8.736 -16.353 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.198 -19.024 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.376 -18.499 -1.833 1.00 0.00 H new ATOM 37 N SER A 5 -8.259 -17.794 -3.570 1.00 0.00 N ATOM 38 CA SER A 5 -7.364 -18.013 -4.701 1.00 0.00 C ATOM 39 C SER A 5 -5.915 -17.743 -4.307 1.00 0.00 C ATOM 40 O SER A 5 -5.512 -16.593 -4.132 1.00 0.00 O ATOM 41 CB SER A 5 -7.762 -17.116 -5.874 1.00 0.00 C ATOM 42 OG SER A 5 -8.796 -17.708 -6.641 1.00 0.00 O ATOM 0 H SER A 5 -8.763 -16.907 -3.596 1.00 0.00 H new ATOM 0 HA SER A 5 -7.451 -19.056 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.092 -16.147 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.894 -16.934 -6.507 1.00 0.00 H new ATOM 0 HG SER A 5 -9.033 -17.114 -7.384 1.00 0.00 H new ATOM 48 N SER A 6 -5.136 -18.811 -4.170 1.00 0.00 N ATOM 49 CA SER A 6 -3.733 -18.691 -3.794 1.00 0.00 C ATOM 50 C SER A 6 -2.977 -17.813 -4.787 1.00 0.00 C ATOM 51 O SER A 6 -3.393 -17.655 -5.934 1.00 0.00 O ATOM 52 CB SER A 6 -3.082 -20.074 -3.721 1.00 0.00 C ATOM 53 OG SER A 6 -3.583 -20.815 -2.621 1.00 0.00 O ATOM 0 H SER A 6 -5.453 -19.770 -4.314 1.00 0.00 H new ATOM 0 HA SER A 6 -3.685 -18.222 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.271 -20.618 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.001 -19.967 -3.629 1.00 0.00 H new ATOM 0 HG SER A 6 -3.153 -21.695 -2.597 1.00 0.00 H new ATOM 59 N GLY A 7 -1.863 -17.243 -4.336 1.00 0.00 N ATOM 60 CA GLY A 7 -1.067 -16.388 -5.196 1.00 0.00 C ATOM 61 C GLY A 7 0.369 -16.268 -4.726 1.00 0.00 C ATOM 62 O GLY A 7 0.868 -17.099 -3.967 1.00 0.00 O ATOM 0 H GLY A 7 -1.498 -17.359 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.082 -16.784 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.517 -15.396 -5.234 1.00 0.00 H new ATOM 66 N PRO A 8 1.059 -15.212 -5.182 1.00 0.00 N ATOM 67 CA PRO A 8 2.456 -14.962 -4.816 1.00 0.00 C ATOM 68 C PRO A 8 2.609 -14.554 -3.355 1.00 0.00 C ATOM 69 O PRO A 8 1.693 -13.986 -2.760 1.00 0.00 O ATOM 70 CB PRO A 8 2.863 -13.810 -5.738 1.00 0.00 C ATOM 71 CG PRO A 8 1.586 -13.113 -6.060 1.00 0.00 C ATOM 72 CD PRO A 8 0.528 -14.181 -6.089 1.00 0.00 C ATOM 0 HA PRO A 8 3.072 -15.854 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.567 -13.139 -5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.351 -14.179 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.355 -12.355 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.652 -12.602 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.435 -13.802 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.378 -14.570 -7.096 1.00 0.00 H new ATOM 80 N SER A 9 3.772 -14.848 -2.782 1.00 0.00 N ATOM 81 CA SER A 9 4.043 -14.514 -1.388 1.00 0.00 C ATOM 82 C SER A 9 3.858 -13.020 -1.142 1.00 0.00 C ATOM 83 O SER A 9 4.121 -12.196 -2.018 1.00 0.00 O ATOM 84 CB SER A 9 5.465 -14.933 -1.009 1.00 0.00 C ATOM 85 OG SER A 9 5.764 -14.571 0.328 1.00 0.00 O ATOM 0 H SER A 9 4.541 -15.316 -3.261 1.00 0.00 H new ATOM 0 HA SER A 9 3.333 -15.058 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.574 -16.011 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.179 -14.462 -1.685 1.00 0.00 H new ATOM 0 HG SER A 9 6.677 -14.851 0.546 1.00 0.00 H new ATOM 91 N THR A 10 3.403 -12.677 0.060 1.00 0.00 N ATOM 92 CA THR A 10 3.180 -11.283 0.423 1.00 0.00 C ATOM 93 C THR A 10 4.129 -10.847 1.534 1.00 0.00 C ATOM 94 O THR A 10 4.749 -11.679 2.197 1.00 0.00 O ATOM 95 CB THR A 10 1.729 -11.047 0.881 1.00 0.00 C ATOM 96 OG1 THR A 10 1.422 -9.649 0.832 1.00 0.00 O ATOM 97 CG2 THR A 10 1.514 -11.569 2.293 1.00 0.00 C ATOM 0 H THR A 10 3.182 -13.346 0.798 1.00 0.00 H new ATOM 0 HA THR A 10 3.372 -10.689 -0.470 1.00 0.00 H new ATOM 0 HB THR A 10 1.066 -11.589 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.557 -9.519 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.482 -11.391 2.594 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.720 -12.639 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.186 -11.052 2.978 1.00 0.00 H new ATOM 105 N VAL A 11 4.237 -9.538 1.734 1.00 0.00 N ATOM 106 CA VAL A 11 5.109 -8.991 2.766 1.00 0.00 C ATOM 107 C VAL A 11 4.565 -9.288 4.159 1.00 0.00 C ATOM 108 O VAL A 11 3.369 -9.164 4.425 1.00 0.00 O ATOM 109 CB VAL A 11 5.280 -7.468 2.608 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.094 -6.900 3.761 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.932 -7.142 1.273 1.00 0.00 C ATOM 0 H VAL A 11 3.731 -8.836 1.194 1.00 0.00 H new ATOM 0 HA VAL A 11 6.080 -9.472 2.647 1.00 0.00 H new ATOM 0 HB VAL A 11 4.294 -7.004 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.205 -5.823 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.583 -7.103 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.079 -7.367 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.045 -6.062 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.912 -7.616 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.306 -7.514 0.462 1.00 0.00 H new ATOM 121 N PRO A 12 5.462 -9.690 5.072 1.00 0.00 N ATOM 122 CA PRO A 12 5.095 -10.012 6.454 1.00 0.00 C ATOM 123 C PRO A 12 4.692 -8.776 7.250 1.00 0.00 C ATOM 124 O PRO A 12 3.638 -8.752 7.886 1.00 0.00 O ATOM 125 CB PRO A 12 6.376 -10.624 7.027 1.00 0.00 C ATOM 126 CG PRO A 12 7.474 -10.044 6.204 1.00 0.00 C ATOM 127 CD PRO A 12 6.904 -9.859 4.825 1.00 0.00 C ATOM 0 HA PRO A 12 4.231 -10.675 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.497 -10.374 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.361 -11.712 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.811 -9.094 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.339 -10.708 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.331 -8.989 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.104 -10.721 4.188 1.00 0.00 H new ATOM 135 N ILE A 13 5.537 -7.751 7.210 1.00 0.00 N ATOM 136 CA ILE A 13 5.267 -6.511 7.927 1.00 0.00 C ATOM 137 C ILE A 13 5.632 -5.296 7.081 1.00 0.00 C ATOM 138 O ILE A 13 6.380 -5.405 6.110 1.00 0.00 O ATOM 139 CB ILE A 13 6.044 -6.448 9.256 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.584 -5.247 10.085 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.540 -6.375 8.992 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.748 -5.443 11.575 1.00 0.00 C ATOM 0 H ILE A 13 6.414 -7.755 6.689 1.00 0.00 H new ATOM 0 HA ILE A 13 4.198 -6.496 8.139 1.00 0.00 H new ATOM 0 HB ILE A 13 5.839 -7.356 9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.149 -4.367 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.535 -5.045 9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.075 -6.331 9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.855 -7.259 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.763 -5.482 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.402 -4.552 12.099 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.161 -6.304 11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.799 -5.614 11.806 1.00 0.00 H new ATOM 154 N MET A 14 5.100 -4.138 7.458 1.00 0.00 N ATOM 155 CA MET A 14 5.373 -2.901 6.735 1.00 0.00 C ATOM 156 C MET A 14 6.237 -1.962 7.570 1.00 0.00 C ATOM 157 O MET A 14 6.239 -2.033 8.799 1.00 0.00 O ATOM 158 CB MET A 14 4.063 -2.206 6.357 1.00 0.00 C ATOM 159 CG MET A 14 3.497 -2.661 5.022 1.00 0.00 C ATOM 160 SD MET A 14 4.096 -1.670 3.640 1.00 0.00 S ATOM 161 CE MET A 14 2.563 -0.960 3.043 1.00 0.00 C ATOM 0 H MET A 14 4.478 -4.030 8.259 1.00 0.00 H new ATOM 0 HA MET A 14 5.917 -3.154 5.825 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.325 -2.391 7.137 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.229 -1.129 6.324 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.761 -3.705 4.857 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.409 -2.609 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.678 -0.672 1.998 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.763 -1.695 3.131 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.314 -0.080 3.636 1.00 0.00 H new ATOM 171 N HIS A 15 6.971 -1.083 6.895 1.00 0.00 N ATOM 172 CA HIS A 15 7.840 -0.130 7.576 1.00 0.00 C ATOM 173 C HIS A 15 7.765 1.243 6.914 1.00 0.00 C ATOM 174 O HIS A 15 7.809 1.354 5.689 1.00 0.00 O ATOM 175 CB HIS A 15 9.285 -0.632 7.574 1.00 0.00 C ATOM 176 CG HIS A 15 9.496 -1.853 8.414 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.936 -1.801 9.720 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.323 -3.165 8.129 1.00 0.00 C ATOM 179 CE1 HIS A 15 10.026 -3.028 10.201 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.659 -3.874 9.256 1.00 0.00 N ATOM 0 H HIS A 15 6.981 -1.011 5.878 1.00 0.00 H new ATOM 0 HA HIS A 15 7.498 -0.036 8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.584 -0.850 6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.938 0.163 7.933 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.157 -0.948 10.234 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.984 -3.577 7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.345 -3.294 11.198 1.00 0.00 H new ATOM 189 N GLN A 16 7.651 2.284 7.732 1.00 0.00 N ATOM 190 CA GLN A 16 7.568 3.648 7.225 1.00 0.00 C ATOM 191 C GLN A 16 8.949 4.292 7.166 1.00 0.00 C ATOM 192 O GLN A 16 9.788 4.068 8.039 1.00 0.00 O ATOM 193 CB GLN A 16 6.639 4.486 8.105 1.00 0.00 C ATOM 194 CG GLN A 16 6.970 5.970 8.098 1.00 0.00 C ATOM 195 CD GLN A 16 5.774 6.836 8.441 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.028 6.544 9.376 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.585 7.911 7.683 1.00 0.00 N ATOM 0 H GLN A 16 7.614 2.209 8.749 1.00 0.00 H new ATOM 0 HA GLN A 16 7.162 3.609 6.214 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.612 4.350 7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.690 4.116 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.770 6.163 8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.346 6.250 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.228 8.115 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.797 8.532 7.866 1.00 0.00 H new ATOM 206 N VAL A 17 9.180 5.092 6.130 1.00 0.00 N ATOM 207 CA VAL A 17 10.460 5.769 5.957 1.00 0.00 C ATOM 208 C VAL A 17 10.322 7.271 6.178 1.00 0.00 C ATOM 209 O VAL A 17 11.175 7.898 6.804 1.00 0.00 O ATOM 210 CB VAL A 17 11.042 5.519 4.553 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.387 6.214 4.401 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.171 4.026 4.288 1.00 0.00 C ATOM 0 H VAL A 17 8.497 5.287 5.398 1.00 0.00 H new ATOM 0 HA VAL A 17 11.139 5.356 6.703 1.00 0.00 H new ATOM 0 HB VAL A 17 10.358 5.938 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.783 6.026 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.260 7.287 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.083 5.827 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.584 3.868 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.833 3.581 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.188 3.559 4.352 1.00 0.00 H new ATOM 222 N SER A 18 9.239 7.842 5.658 1.00 0.00 N ATOM 223 CA SER A 18 8.990 9.273 5.796 1.00 0.00 C ATOM 224 C SER A 18 7.512 9.589 5.585 1.00 0.00 C ATOM 225 O SER A 18 6.704 8.695 5.336 1.00 0.00 O ATOM 226 CB SER A 18 9.839 10.058 4.795 1.00 0.00 C ATOM 227 OG SER A 18 9.778 11.450 5.056 1.00 0.00 O ATOM 0 H SER A 18 8.521 7.337 5.138 1.00 0.00 H new ATOM 0 HA SER A 18 9.267 9.570 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.874 9.720 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.489 9.859 3.782 1.00 0.00 H new ATOM 0 HG SER A 18 10.330 11.930 4.404 1.00 0.00 H new ATOM 233 N ALA A 19 7.167 10.868 5.686 1.00 0.00 N ATOM 234 CA ALA A 19 5.789 11.304 5.504 1.00 0.00 C ATOM 235 C ALA A 19 5.684 12.825 5.543 1.00 0.00 C ATOM 236 O ALA A 19 6.488 13.498 6.189 1.00 0.00 O ATOM 237 CB ALA A 19 4.895 10.685 6.568 1.00 0.00 C ATOM 0 H ALA A 19 7.824 11.621 5.893 1.00 0.00 H new ATOM 0 HA ALA A 19 5.455 10.968 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.868 11.019 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.937 9.598 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.238 10.993 7.556 1.00 0.00 H new ATOM 243 N THR A 20 4.688 13.363 4.845 1.00 0.00 N ATOM 244 CA THR A 20 4.480 14.805 4.798 1.00 0.00 C ATOM 245 C THR A 20 3.137 15.187 5.410 1.00 0.00 C ATOM 246 O THR A 20 2.427 14.339 5.950 1.00 0.00 O ATOM 247 CB THR A 20 4.542 15.335 3.353 1.00 0.00 C ATOM 248 OG1 THR A 20 3.261 15.204 2.728 1.00 0.00 O ATOM 249 CG2 THR A 20 5.586 14.580 2.545 1.00 0.00 C ATOM 0 H THR A 20 4.013 12.822 4.305 1.00 0.00 H new ATOM 0 HA THR A 20 5.283 15.259 5.378 1.00 0.00 H new ATOM 0 HB THR A 20 4.823 16.388 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.263 15.685 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.612 14.971 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.565 14.706 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.330 13.521 2.520 1.00 0.00 H new ATOM 257 N MET A 21 2.794 16.467 5.321 1.00 0.00 N ATOM 258 CA MET A 21 1.533 16.960 5.864 1.00 0.00 C ATOM 259 C MET A 21 0.348 16.389 5.092 1.00 0.00 C ATOM 260 O MET A 21 -0.701 16.103 5.670 1.00 0.00 O ATOM 261 CB MET A 21 1.497 18.489 5.820 1.00 0.00 C ATOM 262 CG MET A 21 2.052 19.147 7.073 1.00 0.00 C ATOM 263 SD MET A 21 1.590 20.884 7.209 1.00 0.00 S ATOM 264 CE MET A 21 -0.159 20.742 7.568 1.00 0.00 C ATOM 0 H MET A 21 3.371 17.182 4.878 1.00 0.00 H new ATOM 0 HA MET A 21 1.460 16.632 6.901 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.066 18.833 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.468 18.816 5.674 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.692 18.610 7.950 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.139 19.063 7.072 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.506 21.654 8.054 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.710 20.594 6.639 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.327 19.892 8.229 1.00 0.00 H new ATOM 274 N ARG A 22 0.522 16.227 3.785 1.00 0.00 N ATOM 275 CA ARG A 22 -0.534 15.692 2.934 1.00 0.00 C ATOM 276 C ARG A 22 -0.033 14.492 2.135 1.00 0.00 C ATOM 277 O ARG A 22 -0.449 14.274 0.997 1.00 0.00 O ATOM 278 CB ARG A 22 -1.048 16.774 1.982 1.00 0.00 C ATOM 279 CG ARG A 22 -1.029 18.171 2.579 1.00 0.00 C ATOM 280 CD ARG A 22 0.290 18.876 2.303 1.00 0.00 C ATOM 281 NE ARG A 22 0.566 19.923 3.284 1.00 0.00 N ATOM 282 CZ ARG A 22 1.639 20.706 3.241 1.00 0.00 C ATOM 283 NH1 ARG A 22 2.531 20.561 2.270 1.00 0.00 N ATOM 284 NH2 ARG A 22 1.820 21.636 4.169 1.00 0.00 N ATOM 0 H ARG A 22 1.384 16.459 3.292 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.352 15.364 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.441 16.767 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.068 16.529 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.850 18.756 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.192 18.110 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.100 18.147 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.266 19.312 1.304 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.101 20.060 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.394 19.847 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.354 21.163 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.135 21.751 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.644 22.237 4.135 1.00 0.00 H new ATOM 298 N SER A 23 0.862 13.718 2.740 1.00 0.00 N ATOM 299 CA SER A 23 1.423 12.542 2.084 1.00 0.00 C ATOM 300 C SER A 23 2.019 11.581 3.108 1.00 0.00 C ATOM 301 O SER A 23 2.146 11.914 4.286 1.00 0.00 O ATOM 302 CB SER A 23 2.494 12.958 1.074 1.00 0.00 C ATOM 303 OG SER A 23 2.165 14.193 0.461 1.00 0.00 O ATOM 0 H SER A 23 1.214 13.884 3.683 1.00 0.00 H new ATOM 0 HA SER A 23 0.617 12.030 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.458 13.043 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.598 12.186 0.311 1.00 0.00 H new ATOM 0 HG SER A 23 2.866 14.437 -0.179 1.00 0.00 H new ATOM 309 N ILE A 24 2.382 10.388 2.648 1.00 0.00 N ATOM 310 CA ILE A 24 2.965 9.379 3.523 1.00 0.00 C ATOM 311 C ILE A 24 3.900 8.455 2.750 1.00 0.00 C ATOM 312 O ILE A 24 3.549 7.948 1.684 1.00 0.00 O ATOM 313 CB ILE A 24 1.877 8.532 4.210 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.886 9.435 4.947 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.509 7.535 5.169 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.152 8.673 5.740 1.00 0.00 C ATOM 0 H ILE A 24 2.283 10.097 1.675 1.00 0.00 H new ATOM 0 HA ILE A 24 3.533 9.913 4.285 1.00 0.00 H new ATOM 0 HB ILE A 24 1.333 7.976 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.437 10.091 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.381 10.074 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.728 6.944 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.178 6.874 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.075 8.071 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.820 9.377 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.729 8.037 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.344 8.055 6.488 1.00 0.00 H new ATOM 328 N THR A 25 5.093 8.239 3.295 1.00 0.00 N ATOM 329 CA THR A 25 6.079 7.375 2.657 1.00 0.00 C ATOM 330 C THR A 25 6.237 6.064 3.419 1.00 0.00 C ATOM 331 O THR A 25 6.607 6.057 4.594 1.00 0.00 O ATOM 332 CB THR A 25 7.452 8.067 2.559 1.00 0.00 C ATOM 333 OG1 THR A 25 7.279 9.466 2.305 1.00 0.00 O ATOM 334 CG2 THR A 25 8.294 7.446 1.455 1.00 0.00 C ATOM 0 H THR A 25 5.400 8.650 4.177 1.00 0.00 H new ATOM 0 HA THR A 25 5.713 7.166 1.652 1.00 0.00 H new ATOM 0 HB THR A 25 7.970 7.932 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.146 9.869 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.259 7.951 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.449 6.388 1.667 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.779 7.553 0.500 1.00 0.00 H new ATOM 342 N LEU A 26 5.954 4.956 2.743 1.00 0.00 N ATOM 343 CA LEU A 26 6.066 3.637 3.357 1.00 0.00 C ATOM 344 C LEU A 26 7.035 2.754 2.578 1.00 0.00 C ATOM 345 O LEU A 26 7.507 3.129 1.505 1.00 0.00 O ATOM 346 CB LEU A 26 4.692 2.968 3.427 1.00 0.00 C ATOM 347 CG LEU A 26 3.509 3.892 3.720 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.236 3.345 3.093 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.332 4.072 5.221 1.00 0.00 C ATOM 0 H LEU A 26 5.646 4.944 1.771 1.00 0.00 H new ATOM 0 HA LEU A 26 6.453 3.765 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.507 2.464 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.724 2.197 4.197 1.00 0.00 H new ATOM 0 HG LEU A 26 3.716 4.867 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.405 4.016 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.366 3.269 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.023 2.358 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.486 4.732 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.147 3.103 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.236 4.510 5.644 1.00 0.00 H new ATOM 361 N SER A 27 7.327 1.578 3.125 1.00 0.00 N ATOM 362 CA SER A 27 8.241 0.642 2.482 1.00 0.00 C ATOM 363 C SER A 27 8.022 -0.776 3.002 1.00 0.00 C ATOM 364 O SER A 27 7.531 -0.971 4.114 1.00 0.00 O ATOM 365 CB SER A 27 9.691 1.067 2.721 1.00 0.00 C ATOM 366 OG SER A 27 10.122 0.701 4.020 1.00 0.00 O ATOM 0 H SER A 27 6.944 1.251 4.012 1.00 0.00 H new ATOM 0 HA SER A 27 8.039 0.653 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.337 0.603 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.783 2.146 2.594 1.00 0.00 H new ATOM 0 HG SER A 27 9.408 0.885 4.665 1.00 0.00 H new ATOM 372 N TRP A 28 8.390 -1.760 2.191 1.00 0.00 N ATOM 373 CA TRP A 28 8.234 -3.160 2.568 1.00 0.00 C ATOM 374 C TRP A 28 9.300 -4.025 1.905 1.00 0.00 C ATOM 375 O TRP A 28 9.723 -3.775 0.776 1.00 0.00 O ATOM 376 CB TRP A 28 6.841 -3.662 2.183 1.00 0.00 C ATOM 377 CG TRP A 28 6.485 -3.387 0.754 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.579 -4.256 -0.296 1.00 0.00 C ATOM 379 CD2 TRP A 28 5.980 -2.160 0.217 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.163 -3.642 -1.453 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.790 -2.357 -1.165 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.668 -0.915 0.769 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.303 -1.354 -1.999 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.186 0.080 -0.061 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.006 -0.144 -1.432 1.00 0.00 C ATOM 0 H TRP A 28 8.799 -1.615 1.268 1.00 0.00 H new ATOM 0 HA TRP A 28 8.353 -3.234 3.649 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.787 -4.736 2.363 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.101 -3.192 2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.929 -5.275 -0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.137 -4.074 -2.377 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.801 -0.733 1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.164 -1.525 -3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.944 1.047 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.626 0.653 -2.054 1.00 0.00 H new ATOM 396 N PRO A 29 9.747 -5.068 2.620 1.00 0.00 N ATOM 397 CA PRO A 29 10.770 -5.991 2.120 1.00 0.00 C ATOM 398 C PRO A 29 10.254 -6.867 0.983 1.00 0.00 C ATOM 399 O PRO A 29 9.047 -6.958 0.757 1.00 0.00 O ATOM 400 CB PRO A 29 11.105 -6.847 3.344 1.00 0.00 C ATOM 401 CG PRO A 29 9.882 -6.791 4.192 1.00 0.00 C ATOM 402 CD PRO A 29 9.289 -5.426 3.973 1.00 0.00 C ATOM 0 HA PRO A 29 11.628 -5.462 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.341 -7.872 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.973 -6.456 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.176 -7.573 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.128 -6.946 5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.201 -5.446 4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.639 -4.712 4.718 1.00 0.00 H new ATOM 410 N GLN A 30 11.175 -7.508 0.271 1.00 0.00 N ATOM 411 CA GLN A 30 10.811 -8.376 -0.842 1.00 0.00 C ATOM 412 C GLN A 30 10.666 -9.823 -0.381 1.00 0.00 C ATOM 413 O GLN A 30 11.498 -10.351 0.357 1.00 0.00 O ATOM 414 CB GLN A 30 11.861 -8.286 -1.951 1.00 0.00 C ATOM 415 CG GLN A 30 11.432 -8.948 -3.251 1.00 0.00 C ATOM 416 CD GLN A 30 12.548 -8.999 -4.276 1.00 0.00 C ATOM 417 OE1 GLN A 30 12.939 -7.974 -4.835 1.00 0.00 O ATOM 418 NE2 GLN A 30 13.068 -10.194 -4.528 1.00 0.00 N ATOM 0 H GLN A 30 12.178 -7.443 0.445 1.00 0.00 H new ATOM 0 HA GLN A 30 9.850 -8.040 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.084 -7.237 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.784 -8.750 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.089 -9.961 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.585 -8.404 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.713 -11.017 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.822 -10.289 -5.208 1.00 0.00 H new ATOM 427 N PRO A 31 9.584 -10.480 -0.823 1.00 0.00 N ATOM 428 CA PRO A 31 9.304 -11.874 -0.468 1.00 0.00 C ATOM 429 C PRO A 31 10.282 -12.846 -1.120 1.00 0.00 C ATOM 430 O PRO A 31 10.914 -12.523 -2.125 1.00 0.00 O ATOM 431 CB PRO A 31 7.889 -12.100 -1.004 1.00 0.00 C ATOM 432 CG PRO A 31 7.741 -11.114 -2.111 1.00 0.00 C ATOM 433 CD PRO A 31 8.550 -9.913 -1.706 1.00 0.00 C ATOM 0 HA PRO A 31 9.401 -12.049 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.760 -13.121 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.141 -11.939 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.101 -11.528 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.694 -10.848 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.989 -9.414 -2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.940 -9.174 -1.187 1.00 0.00 H new ATOM 441 N GLU A 32 10.401 -14.037 -0.540 1.00 0.00 N ATOM 442 CA GLU A 32 11.303 -15.055 -1.066 1.00 0.00 C ATOM 443 C GLU A 32 10.532 -16.113 -1.850 1.00 0.00 C ATOM 444 O GLU A 32 11.116 -16.883 -2.611 1.00 0.00 O ATOM 445 CB GLU A 32 12.082 -15.715 0.074 1.00 0.00 C ATOM 446 CG GLU A 32 13.125 -14.808 0.704 1.00 0.00 C ATOM 447 CD GLU A 32 12.510 -13.618 1.415 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.191 -12.621 0.735 1.00 0.00 O ATOM 449 OE2 GLU A 32 12.347 -13.684 2.652 1.00 0.00 O ATOM 0 H GLU A 32 9.885 -14.320 0.293 1.00 0.00 H new ATOM 0 HA GLU A 32 12.005 -14.568 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.380 -16.037 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.573 -16.611 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.720 -15.383 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.806 -14.452 -0.069 1.00 0.00 H new ATOM 456 N GLN A 33 9.217 -16.142 -1.657 1.00 0.00 N ATOM 457 CA GLN A 33 8.366 -17.106 -2.345 1.00 0.00 C ATOM 458 C GLN A 33 7.330 -16.397 -3.211 1.00 0.00 C ATOM 459 O GLN A 33 6.134 -16.679 -3.146 1.00 0.00 O ATOM 460 CB GLN A 33 7.667 -18.014 -1.332 1.00 0.00 C ATOM 461 CG GLN A 33 8.611 -18.959 -0.607 1.00 0.00 C ATOM 462 CD GLN A 33 7.880 -20.058 0.138 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.173 -19.799 1.113 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.045 -21.294 -0.317 1.00 0.00 N ATOM 0 H GLN A 33 8.718 -15.510 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 33 8.998 -17.714 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.151 -17.395 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.905 -18.599 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.295 -19.407 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.218 -18.390 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.640 -21.464 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.577 -22.074 0.144 1.00 0.00 H new ATOM 473 N PRO A 34 7.799 -15.454 -4.041 1.00 0.00 N ATOM 474 CA PRO A 34 6.929 -14.685 -4.936 1.00 0.00 C ATOM 475 C PRO A 34 6.362 -15.537 -6.066 1.00 0.00 C ATOM 476 O PRO A 34 5.646 -15.038 -6.933 1.00 0.00 O ATOM 477 CB PRO A 34 7.861 -13.606 -5.496 1.00 0.00 C ATOM 478 CG PRO A 34 9.225 -14.196 -5.398 1.00 0.00 C ATOM 479 CD PRO A 34 9.213 -15.066 -4.171 1.00 0.00 C ATOM 0 HA PRO A 34 6.058 -14.287 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.609 -13.361 -6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.787 -12.682 -4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.463 -14.779 -6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.982 -13.416 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.859 -15.936 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.564 -14.525 -3.292 1.00 0.00 H new ATOM 487 N ASN A 35 6.686 -16.826 -6.050 1.00 0.00 N ATOM 488 CA ASN A 35 6.208 -17.747 -7.074 1.00 0.00 C ATOM 489 C ASN A 35 6.488 -17.201 -8.471 1.00 0.00 C ATOM 490 O ASN A 35 5.792 -17.534 -9.430 1.00 0.00 O ATOM 491 CB ASN A 35 4.708 -17.999 -6.903 1.00 0.00 C ATOM 492 CG ASN A 35 4.397 -18.826 -5.671 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.673 -19.818 -5.742 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.946 -18.419 -4.532 1.00 0.00 N ATOM 0 H ASN A 35 7.278 -17.256 -5.339 1.00 0.00 H new ATOM 0 HA ASN A 35 6.743 -18.689 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.187 -17.044 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.325 -18.510 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.773 -18.935 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.540 -17.590 -4.520 1.00 0.00 H new ATOM 501 N GLY A 36 7.512 -16.360 -8.577 1.00 0.00 N ATOM 502 CA GLY A 36 7.867 -15.782 -9.860 1.00 0.00 C ATOM 503 C GLY A 36 8.319 -14.340 -9.741 1.00 0.00 C ATOM 504 O GLY A 36 8.236 -13.743 -8.667 1.00 0.00 O ATOM 0 H GLY A 36 8.102 -16.069 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.663 -16.373 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.009 -15.836 -10.530 1.00 0.00 H new ATOM 508 N ILE A 37 8.800 -13.779 -10.845 1.00 0.00 N ATOM 509 CA ILE A 37 9.267 -12.398 -10.859 1.00 0.00 C ATOM 510 C ILE A 37 8.113 -11.425 -10.643 1.00 0.00 C ATOM 511 O ILE A 37 7.244 -11.277 -11.502 1.00 0.00 O ATOM 512 CB ILE A 37 9.972 -12.056 -12.185 1.00 0.00 C ATOM 513 CG1 ILE A 37 11.185 -12.964 -12.392 1.00 0.00 C ATOM 514 CG2 ILE A 37 10.389 -10.593 -12.200 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.501 -13.227 -13.848 1.00 0.00 C ATOM 0 H ILE A 37 8.877 -14.259 -11.742 1.00 0.00 H new ATOM 0 HA ILE A 37 9.981 -12.298 -10.041 1.00 0.00 H new ATOM 0 HB ILE A 37 9.274 -12.223 -13.005 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.054 -12.510 -11.916 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.007 -13.915 -11.890 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.886 -10.366 -13.143 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.507 -9.962 -12.094 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.074 -10.401 -11.374 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.372 -13.878 -13.919 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.648 -13.710 -14.324 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.711 -12.283 -14.351 1.00 0.00 H new ATOM 527 N ILE A 38 8.113 -10.763 -9.491 1.00 0.00 N ATOM 528 CA ILE A 38 7.068 -9.801 -9.164 1.00 0.00 C ATOM 529 C ILE A 38 7.094 -8.614 -10.120 1.00 0.00 C ATOM 530 O ILE A 38 8.021 -7.803 -10.096 1.00 0.00 O ATOM 531 CB ILE A 38 7.209 -9.286 -7.719 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.106 -10.447 -6.728 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.149 -8.235 -7.425 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.261 -10.024 -5.284 1.00 0.00 C ATOM 0 H ILE A 38 8.825 -10.875 -8.769 1.00 0.00 H new ATOM 0 HA ILE A 38 6.116 -10.323 -9.264 1.00 0.00 H new ATOM 0 HB ILE A 38 8.190 -8.825 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.140 -10.936 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.871 -11.186 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.262 -7.881 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.266 -7.398 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.158 -8.672 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.177 -10.898 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.238 -9.561 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.480 -9.308 -5.029 1.00 0.00 H new ATOM 546 N LEU A 39 6.070 -8.516 -10.961 1.00 0.00 N ATOM 547 CA LEU A 39 5.973 -7.426 -11.925 1.00 0.00 C ATOM 548 C LEU A 39 5.913 -6.076 -11.217 1.00 0.00 C ATOM 549 O LEU A 39 6.697 -5.174 -11.511 1.00 0.00 O ATOM 550 CB LEU A 39 4.738 -7.607 -12.808 1.00 0.00 C ATOM 551 CG LEU A 39 4.665 -8.912 -13.601 1.00 0.00 C ATOM 552 CD1 LEU A 39 3.218 -9.290 -13.877 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.444 -8.789 -14.903 1.00 0.00 C ATOM 0 H LEU A 39 5.295 -9.179 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 39 6.865 -7.448 -12.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.852 -7.539 -12.177 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.694 -6.775 -13.511 1.00 0.00 H new ATOM 0 HG LEU A 39 5.117 -9.703 -13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.187 -10.221 -14.442 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.690 -9.421 -12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.739 -8.499 -14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.381 -9.727 -15.455 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.021 -7.985 -15.505 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.488 -8.567 -14.683 1.00 0.00 H new ATOM 565 N ASP A 40 4.978 -5.946 -10.282 1.00 0.00 N ATOM 566 CA ASP A 40 4.817 -4.707 -9.529 1.00 0.00 C ATOM 567 C ASP A 40 4.076 -4.960 -8.220 1.00 0.00 C ATOM 568 O ASP A 40 3.607 -6.069 -7.964 1.00 0.00 O ATOM 569 CB ASP A 40 4.062 -3.672 -10.365 1.00 0.00 C ATOM 570 CG ASP A 40 4.715 -3.428 -11.711 1.00 0.00 C ATOM 571 OD1 ASP A 40 5.714 -2.679 -11.760 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.228 -3.986 -12.716 1.00 0.00 O ATOM 0 H ASP A 40 4.320 -6.683 -10.027 1.00 0.00 H new ATOM 0 HA ASP A 40 5.809 -4.320 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.037 -4.010 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.009 -2.733 -9.814 1.00 0.00 H new ATOM 577 N TYR A 41 3.975 -3.924 -7.394 1.00 0.00 N ATOM 578 CA TYR A 41 3.294 -4.035 -6.109 1.00 0.00 C ATOM 579 C TYR A 41 2.153 -3.027 -6.009 1.00 0.00 C ATOM 580 O TYR A 41 2.346 -1.832 -6.228 1.00 0.00 O ATOM 581 CB TYR A 41 4.284 -3.818 -4.964 1.00 0.00 C ATOM 582 CG TYR A 41 5.496 -4.719 -5.031 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.559 -4.424 -5.876 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.578 -5.866 -4.252 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.668 -5.246 -5.942 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.684 -6.692 -4.310 1.00 0.00 C ATOM 587 CZ TYR A 41 7.726 -6.378 -5.157 1.00 0.00 C ATOM 588 OH TYR A 41 8.828 -7.199 -5.219 1.00 0.00 O ATOM 0 H TYR A 41 4.356 -2.999 -7.591 1.00 0.00 H new ATOM 0 HA TYR A 41 2.875 -5.039 -6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.614 -2.779 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.772 -3.983 -4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.518 -3.537 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.763 -6.117 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.485 -5.003 -6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.732 -7.579 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 41 9.566 -6.794 -4.717 1.00 0.00 H new ATOM 598 N GLU A 42 0.965 -3.520 -5.674 1.00 0.00 N ATOM 599 CA GLU A 42 -0.208 -2.662 -5.544 1.00 0.00 C ATOM 600 C GLU A 42 -0.345 -2.142 -4.117 1.00 0.00 C ATOM 601 O GLU A 42 -0.014 -2.837 -3.156 1.00 0.00 O ATOM 602 CB GLU A 42 -1.472 -3.426 -5.944 1.00 0.00 C ATOM 603 CG GLU A 42 -2.663 -2.526 -6.225 1.00 0.00 C ATOM 604 CD GLU A 42 -2.593 -1.874 -7.592 1.00 0.00 C ATOM 605 OE1 GLU A 42 -2.343 -2.595 -8.581 1.00 0.00 O ATOM 606 OE2 GLU A 42 -2.787 -0.643 -7.674 1.00 0.00 O ATOM 0 H GLU A 42 0.789 -4.507 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.080 -1.810 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.260 -4.022 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.733 -4.122 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.580 -3.110 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.717 -1.752 -5.460 1.00 0.00 H new ATOM 613 N ILE A 43 -0.835 -0.913 -3.986 1.00 0.00 N ATOM 614 CA ILE A 43 -1.017 -0.299 -2.677 1.00 0.00 C ATOM 615 C ILE A 43 -2.407 0.314 -2.546 1.00 0.00 C ATOM 616 O ILE A 43 -2.760 1.238 -3.278 1.00 0.00 O ATOM 617 CB ILE A 43 0.039 0.790 -2.414 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.431 0.164 -2.297 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.305 1.569 -1.153 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.126 -0.017 -3.628 1.00 0.00 C ATOM 0 H ILE A 43 -1.113 -0.324 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.901 -1.092 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 43 0.042 1.483 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.050 0.791 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.344 -0.806 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.451 2.335 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.280 2.042 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.333 0.889 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.107 -0.465 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.528 -0.669 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.245 0.953 -4.111 1.00 0.00 H new ATOM 632 N ARG A 44 -3.191 -0.205 -1.606 1.00 0.00 N ATOM 633 CA ARG A 44 -4.542 0.292 -1.378 1.00 0.00 C ATOM 634 C ARG A 44 -4.632 1.033 -0.047 1.00 0.00 C ATOM 635 O ARG A 44 -4.279 0.492 1.001 1.00 0.00 O ATOM 636 CB ARG A 44 -5.544 -0.864 -1.399 1.00 0.00 C ATOM 637 CG ARG A 44 -6.950 -0.459 -0.986 1.00 0.00 C ATOM 638 CD ARG A 44 -7.904 -1.643 -1.022 1.00 0.00 C ATOM 639 NE ARG A 44 -8.292 -1.992 -2.385 1.00 0.00 N ATOM 640 CZ ARG A 44 -9.376 -2.701 -2.682 1.00 0.00 C ATOM 641 NH1 ARG A 44 -10.173 -3.135 -1.716 1.00 0.00 N ATOM 642 NH2 ARG A 44 -9.663 -2.978 -3.948 1.00 0.00 N ATOM 0 H ARG A 44 -2.913 -0.969 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.785 0.990 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.577 -1.287 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.191 -1.651 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.928 -0.038 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.315 0.324 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.432 -2.503 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.795 -1.408 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.699 -1.674 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.955 -2.925 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.004 -3.679 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.051 -2.647 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.495 -3.522 -4.175 1.00 0.00 H new ATOM 656 N TYR A 45 -5.105 2.273 -0.097 1.00 0.00 N ATOM 657 CA TYR A 45 -5.238 3.089 1.104 1.00 0.00 C ATOM 658 C TYR A 45 -6.587 3.801 1.132 1.00 0.00 C ATOM 659 O TYR A 45 -7.082 4.259 0.102 1.00 0.00 O ATOM 660 CB TYR A 45 -4.106 4.115 1.176 1.00 0.00 C ATOM 661 CG TYR A 45 -4.118 5.111 0.038 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.669 4.754 -1.227 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.576 6.409 0.229 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.677 5.660 -2.270 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.589 7.321 -0.808 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.138 6.943 -2.055 1.00 0.00 C ATOM 667 OH TYR A 45 -4.148 7.849 -3.090 1.00 0.00 O ATOM 0 H TYR A 45 -5.403 2.735 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.178 2.429 1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.175 4.654 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.151 3.590 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.307 3.751 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.928 6.710 1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.325 5.366 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.951 8.325 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.503 8.705 -2.772 1.00 0.00 H new ATOM 677 N TYR A 46 -7.177 3.889 2.319 1.00 0.00 N ATOM 678 CA TYR A 46 -8.470 4.543 2.483 1.00 0.00 C ATOM 679 C TYR A 46 -8.628 5.090 3.899 1.00 0.00 C ATOM 680 O TYR A 46 -8.059 4.554 4.849 1.00 0.00 O ATOM 681 CB TYR A 46 -9.603 3.564 2.173 1.00 0.00 C ATOM 682 CG TYR A 46 -9.612 2.345 3.066 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.836 2.461 4.432 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.397 1.075 2.544 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.844 1.350 5.252 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.405 -0.042 3.356 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.628 0.100 4.710 1.00 0.00 C ATOM 688 OH TYR A 46 -9.636 -1.010 5.523 1.00 0.00 O ATOM 0 H TYR A 46 -6.781 3.516 3.182 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.518 5.377 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.557 4.083 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.520 3.243 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.007 3.438 4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.221 0.960 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.018 1.459 6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.238 -1.022 2.933 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.225 -1.693 5.139 1.00 0.00 H new ATOM 698 N GLU A 47 -9.406 6.160 4.030 1.00 0.00 N ATOM 699 CA GLU A 47 -9.640 6.779 5.329 1.00 0.00 C ATOM 700 C GLU A 47 -10.114 5.746 6.347 1.00 0.00 C ATOM 701 O GLU A 47 -11.034 4.972 6.081 1.00 0.00 O ATOM 702 CB GLU A 47 -10.673 7.901 5.206 1.00 0.00 C ATOM 703 CG GLU A 47 -10.068 9.248 4.849 1.00 0.00 C ATOM 704 CD GLU A 47 -10.961 10.410 5.239 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.940 10.677 4.511 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.680 11.053 6.272 1.00 0.00 O ATOM 0 H GLU A 47 -9.884 6.616 3.253 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.697 7.200 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.405 7.628 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.212 7.993 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.104 9.353 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.879 9.284 3.776 1.00 0.00 H new ATOM 713 N LYS A 48 -9.479 5.739 7.514 1.00 0.00 N ATOM 714 CA LYS A 48 -9.835 4.803 8.574 1.00 0.00 C ATOM 715 C LYS A 48 -11.347 4.744 8.764 1.00 0.00 C ATOM 716 O LYS A 48 -11.887 3.731 9.206 1.00 0.00 O ATOM 717 CB LYS A 48 -9.161 5.207 9.887 1.00 0.00 C ATOM 718 CG LYS A 48 -9.405 4.227 11.022 1.00 0.00 C ATOM 719 CD LYS A 48 -8.393 4.407 12.141 1.00 0.00 C ATOM 720 CE LYS A 48 -8.689 5.650 12.966 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.936 5.500 13.766 1.00 0.00 N ATOM 0 H LYS A 48 -8.714 6.372 7.750 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.485 3.813 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.088 5.299 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.523 6.191 10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.412 4.367 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.350 3.207 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.404 3.529 12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.391 4.480 11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.851 5.851 13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.783 6.511 12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.964 6.231 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.763 5.605 13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.953 4.559 14.209 1.00 0.00 H new ATOM 735 N GLU A 49 -12.024 5.837 8.425 1.00 0.00 N ATOM 736 CA GLU A 49 -13.475 5.909 8.558 1.00 0.00 C ATOM 737 C GLU A 49 -14.163 5.280 7.351 1.00 0.00 C ATOM 738 O GLU A 49 -15.259 4.728 7.464 1.00 0.00 O ATOM 739 CB GLU A 49 -13.924 7.363 8.715 1.00 0.00 C ATOM 740 CG GLU A 49 -13.486 7.997 10.025 1.00 0.00 C ATOM 741 CD GLU A 49 -13.532 9.512 9.983 1.00 0.00 C ATOM 742 OE1 GLU A 49 -12.858 10.102 9.113 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.242 10.108 10.820 1.00 0.00 O ATOM 0 H GLU A 49 -11.591 6.684 8.057 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.761 5.351 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.526 7.949 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.011 7.409 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.128 7.640 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.472 7.674 10.259 1.00 0.00 H new ATOM 750 N HIS A 50 -13.514 5.367 6.194 1.00 0.00 N ATOM 751 CA HIS A 50 -14.063 4.806 4.965 1.00 0.00 C ATOM 752 C HIS A 50 -13.736 3.320 4.851 1.00 0.00 C ATOM 753 O HIS A 50 -13.005 2.771 5.675 1.00 0.00 O ATOM 754 CB HIS A 50 -13.516 5.555 3.749 1.00 0.00 C ATOM 755 CG HIS A 50 -14.009 6.965 3.643 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.225 7.598 2.437 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.329 7.866 4.601 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.656 8.827 2.658 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.729 9.015 3.963 1.00 0.00 N ATOM 0 H HIS A 50 -12.607 5.821 6.082 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.147 4.920 4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.427 5.562 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.792 5.013 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.279 7.711 5.669 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.906 9.555 1.900 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.033 9.873 4.422 1.00 0.00 H new ATOM 768 N ASN A 51 -14.282 2.676 3.825 1.00 0.00 N ATOM 769 CA ASN A 51 -14.049 1.253 3.605 1.00 0.00 C ATOM 770 C ASN A 51 -13.433 1.009 2.231 1.00 0.00 C ATOM 771 O ASN A 51 -13.486 1.871 1.355 1.00 0.00 O ATOM 772 CB ASN A 51 -15.359 0.474 3.735 1.00 0.00 C ATOM 773 CG ASN A 51 -15.950 0.564 5.128 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.467 1.607 5.529 1.00 0.00 O ATOM 775 ND2 ASN A 51 -15.876 -0.532 5.874 1.00 0.00 N ATOM 0 H ASN A 51 -14.888 3.116 3.133 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.350 0.903 4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.079 0.857 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.183 -0.572 3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.257 -0.531 6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.439 -1.374 5.501 1.00 0.00 H new ATOM 782 N GLU A 52 -12.849 -0.172 2.051 1.00 0.00 N ATOM 783 CA GLU A 52 -12.223 -0.529 0.783 1.00 0.00 C ATOM 784 C GLU A 52 -13.075 -0.064 -0.394 1.00 0.00 C ATOM 785 O GLU A 52 -12.561 0.198 -1.481 1.00 0.00 O ATOM 786 CB GLU A 52 -12.006 -2.042 0.704 1.00 0.00 C ATOM 787 CG GLU A 52 -13.191 -2.853 1.201 1.00 0.00 C ATOM 788 CD GLU A 52 -14.170 -3.194 0.094 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.725 -3.715 -0.950 1.00 0.00 O ATOM 790 OE2 GLU A 52 -15.379 -2.939 0.272 1.00 0.00 O ATOM 0 H GLU A 52 -12.796 -0.897 2.767 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.257 -0.028 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.796 -2.317 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.125 -2.305 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.830 -3.774 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.709 -2.293 1.979 1.00 0.00 H new ATOM 797 N PHE A 53 -14.381 0.034 -0.169 1.00 0.00 N ATOM 798 CA PHE A 53 -15.306 0.466 -1.211 1.00 0.00 C ATOM 799 C PHE A 53 -14.787 1.716 -1.915 1.00 0.00 C ATOM 800 O PHE A 53 -14.594 1.722 -3.130 1.00 0.00 O ATOM 801 CB PHE A 53 -16.688 0.739 -0.614 1.00 0.00 C ATOM 802 CG PHE A 53 -17.795 0.713 -1.629 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.012 1.795 -2.466 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.620 -0.395 -1.746 1.00 0.00 C ATOM 805 CE1 PHE A 53 -19.029 1.774 -3.402 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.639 -0.422 -2.679 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.844 0.665 -3.507 1.00 0.00 C ATOM 0 H PHE A 53 -14.823 -0.180 0.725 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.387 -0.335 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.895 -0.003 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.678 1.713 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.379 2.666 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.465 -1.247 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.186 2.624 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -20.274 -1.292 -2.761 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.641 0.647 -4.236 1.00 0.00 H new ATOM 817 N ASN A 54 -14.565 2.774 -1.142 1.00 0.00 N ATOM 818 CA ASN A 54 -14.070 4.031 -1.691 1.00 0.00 C ATOM 819 C ASN A 54 -12.591 4.221 -1.368 1.00 0.00 C ATOM 820 O ASN A 54 -12.193 5.243 -0.810 1.00 0.00 O ATOM 821 CB ASN A 54 -14.879 5.207 -1.138 1.00 0.00 C ATOM 822 CG ASN A 54 -14.961 6.362 -2.117 1.00 0.00 C ATOM 823 OD1 ASN A 54 -14.739 6.192 -3.316 1.00 0.00 O ATOM 824 ND2 ASN A 54 -15.281 7.546 -1.608 1.00 0.00 N ATOM 0 H ASN A 54 -14.720 2.786 -0.134 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.186 3.996 -2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.886 4.869 -0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.425 5.553 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.351 8.361 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.457 7.640 -0.608 1.00 0.00 H new ATOM 831 N SER A 55 -11.781 3.228 -1.723 1.00 0.00 N ATOM 832 CA SER A 55 -10.347 3.284 -1.469 1.00 0.00 C ATOM 833 C SER A 55 -9.580 3.609 -2.747 1.00 0.00 C ATOM 834 O SER A 55 -10.102 3.459 -3.852 1.00 0.00 O ATOM 835 CB SER A 55 -9.858 1.954 -0.892 1.00 0.00 C ATOM 836 OG SER A 55 -9.762 0.964 -1.902 1.00 0.00 O ATOM 0 H SER A 55 -12.094 2.375 -2.187 1.00 0.00 H new ATOM 0 HA SER A 55 -10.163 4.077 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.885 2.094 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.543 1.618 -0.113 1.00 0.00 H new ATOM 0 HG SER A 55 -10.622 0.503 -1.991 1.00 0.00 H new ATOM 842 N SER A 56 -8.338 4.054 -2.588 1.00 0.00 N ATOM 843 CA SER A 56 -7.500 4.405 -3.729 1.00 0.00 C ATOM 844 C SER A 56 -6.352 3.411 -3.885 1.00 0.00 C ATOM 845 O SER A 56 -5.632 3.122 -2.930 1.00 0.00 O ATOM 846 CB SER A 56 -6.944 5.821 -3.564 1.00 0.00 C ATOM 847 OG SER A 56 -7.974 6.788 -3.673 1.00 0.00 O ATOM 0 H SER A 56 -7.890 4.180 -1.681 1.00 0.00 H new ATOM 0 HA SER A 56 -8.116 4.367 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.456 5.913 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.184 6.007 -4.323 1.00 0.00 H new ATOM 0 HG SER A 56 -7.594 7.685 -3.562 1.00 0.00 H new ATOM 853 N MET A 57 -6.189 2.891 -5.097 1.00 0.00 N ATOM 854 CA MET A 57 -5.129 1.931 -5.380 1.00 0.00 C ATOM 855 C MET A 57 -4.041 2.561 -6.243 1.00 0.00 C ATOM 856 O MET A 57 -4.331 3.310 -7.176 1.00 0.00 O ATOM 857 CB MET A 57 -5.703 0.698 -6.082 1.00 0.00 C ATOM 858 CG MET A 57 -6.648 -0.113 -5.210 1.00 0.00 C ATOM 859 SD MET A 57 -7.145 -1.665 -5.981 1.00 0.00 S ATOM 860 CE MET A 57 -6.373 -2.851 -4.882 1.00 0.00 C ATOM 0 H MET A 57 -6.777 3.118 -5.899 1.00 0.00 H new ATOM 0 HA MET A 57 -4.685 1.627 -4.432 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.233 1.015 -6.980 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.881 0.059 -6.405 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.165 -0.324 -4.256 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.536 0.481 -4.993 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.763 -3.543 -5.463 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.742 -2.326 -4.165 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.143 -3.407 -4.348 1.00 0.00 H new ATOM 870 N ALA A 58 -2.788 2.252 -5.926 1.00 0.00 N ATOM 871 CA ALA A 58 -1.656 2.787 -6.673 1.00 0.00 C ATOM 872 C ALA A 58 -0.620 1.704 -6.950 1.00 0.00 C ATOM 873 O ALA A 58 -0.201 0.986 -6.042 1.00 0.00 O ATOM 874 CB ALA A 58 -1.024 3.945 -5.916 1.00 0.00 C ATOM 0 H ALA A 58 -2.531 1.634 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.025 3.153 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.180 4.335 -6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.763 4.734 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.676 3.597 -4.943 1.00 0.00 H new ATOM 880 N ARG A 59 -0.210 1.591 -8.209 1.00 0.00 N ATOM 881 CA ARG A 59 0.776 0.593 -8.605 1.00 0.00 C ATOM 882 C ARG A 59 2.192 1.150 -8.483 1.00 0.00 C ATOM 883 O ARG A 59 2.442 2.312 -8.801 1.00 0.00 O ATOM 884 CB ARG A 59 0.520 0.134 -10.042 1.00 0.00 C ATOM 885 CG ARG A 59 -0.485 -1.001 -10.149 1.00 0.00 C ATOM 886 CD ARG A 59 -1.128 -1.048 -11.526 1.00 0.00 C ATOM 887 NE ARG A 59 -1.972 0.117 -11.776 1.00 0.00 N ATOM 888 CZ ARG A 59 -2.845 0.191 -12.774 1.00 0.00 C ATOM 889 NH1 ARG A 59 -2.989 -0.827 -13.611 1.00 0.00 N ATOM 890 NH2 ARG A 59 -3.577 1.286 -12.937 1.00 0.00 N ATOM 0 H ARG A 59 -0.545 2.178 -8.972 1.00 0.00 H new ATOM 0 HA ARG A 59 0.680 -0.262 -7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.162 0.981 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.463 -0.184 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.013 -1.949 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.257 -0.877 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.350 -1.102 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.726 -1.955 -11.616 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.886 0.918 -11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.428 -1.670 -13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.660 -0.767 -14.376 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.469 2.072 -12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.247 1.342 -13.704 1.00 0.00 H new ATOM 904 N SER A 60 3.114 0.312 -8.018 1.00 0.00 N ATOM 905 CA SER A 60 4.503 0.722 -7.849 1.00 0.00 C ATOM 906 C SER A 60 5.452 -0.326 -8.423 1.00 0.00 C ATOM 907 O SER A 60 5.330 -1.515 -8.129 1.00 0.00 O ATOM 908 CB SER A 60 4.813 0.951 -6.369 1.00 0.00 C ATOM 909 OG SER A 60 5.870 1.879 -6.207 1.00 0.00 O ATOM 0 H SER A 60 2.924 -0.654 -7.752 1.00 0.00 H new ATOM 0 HA SER A 60 4.649 1.656 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.922 1.318 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.081 0.004 -5.900 1.00 0.00 H new ATOM 0 HG SER A 60 6.260 1.778 -5.314 1.00 0.00 H new ATOM 915 N GLN A 61 6.396 0.125 -9.242 1.00 0.00 N ATOM 916 CA GLN A 61 7.365 -0.774 -9.858 1.00 0.00 C ATOM 917 C GLN A 61 8.506 -1.086 -8.895 1.00 0.00 C ATOM 918 O GLN A 61 9.543 -1.617 -9.295 1.00 0.00 O ATOM 919 CB GLN A 61 7.921 -0.156 -11.142 1.00 0.00 C ATOM 920 CG GLN A 61 6.847 0.219 -12.151 1.00 0.00 C ATOM 921 CD GLN A 61 6.297 1.613 -11.927 1.00 0.00 C ATOM 922 OE1 GLN A 61 6.891 2.420 -11.211 1.00 0.00 O ATOM 923 NE2 GLN A 61 5.156 1.906 -12.541 1.00 0.00 N ATOM 0 H GLN A 61 6.511 1.107 -9.494 1.00 0.00 H new ATOM 0 HA GLN A 61 6.855 -1.706 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.496 0.735 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.613 -0.860 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.261 0.153 -13.157 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.032 -0.503 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.697 1.207 -13.125 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.739 2.830 -12.428 1.00 0.00 H new ATOM 932 N THR A 62 8.309 -0.753 -7.623 1.00 0.00 N ATOM 933 CA THR A 62 9.321 -0.996 -6.604 1.00 0.00 C ATOM 934 C THR A 62 8.680 -1.339 -5.264 1.00 0.00 C ATOM 935 O THR A 62 7.461 -1.271 -5.113 1.00 0.00 O ATOM 936 CB THR A 62 10.241 0.226 -6.422 1.00 0.00 C ATOM 937 OG1 THR A 62 10.972 0.111 -5.196 1.00 0.00 O ATOM 938 CG2 THR A 62 9.433 1.515 -6.417 1.00 0.00 C ATOM 0 H THR A 62 7.457 -0.314 -7.275 1.00 0.00 H new ATOM 0 HA THR A 62 9.917 -1.842 -6.946 1.00 0.00 H new ATOM 0 HB THR A 62 10.939 0.256 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.762 0.690 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.104 2.364 -6.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.901 1.614 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.715 1.491 -5.597 1.00 0.00 H new ATOM 946 N ASN A 63 9.510 -1.708 -4.293 1.00 0.00 N ATOM 947 CA ASN A 63 9.023 -2.062 -2.965 1.00 0.00 C ATOM 948 C ASN A 63 8.839 -0.816 -2.103 1.00 0.00 C ATOM 949 O ASN A 63 8.880 -0.885 -0.874 1.00 0.00 O ATOM 950 CB ASN A 63 9.995 -3.028 -2.283 1.00 0.00 C ATOM 951 CG ASN A 63 9.660 -4.479 -2.567 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.782 -4.946 -3.699 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.237 -5.201 -1.535 1.00 0.00 N ATOM 0 H ASN A 63 10.522 -1.769 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 63 8.055 -2.550 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.009 -2.819 -2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.977 -2.858 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.998 -6.184 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.151 -4.772 -0.614 1.00 0.00 H new ATOM 960 N THR A 64 8.636 0.324 -2.757 1.00 0.00 N ATOM 961 CA THR A 64 8.446 1.585 -2.052 1.00 0.00 C ATOM 962 C THR A 64 7.487 2.498 -2.807 1.00 0.00 C ATOM 963 O THR A 64 7.642 2.720 -4.008 1.00 0.00 O ATOM 964 CB THR A 64 9.783 2.321 -1.847 1.00 0.00 C ATOM 965 OG1 THR A 64 9.552 3.601 -1.246 1.00 0.00 O ATOM 966 CG2 THR A 64 10.510 2.501 -3.171 1.00 0.00 C ATOM 0 H THR A 64 8.599 0.399 -3.774 1.00 0.00 H new ATOM 0 HA THR A 64 8.021 1.342 -1.078 1.00 0.00 H new ATOM 0 HB THR A 64 10.406 1.718 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.408 4.061 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.452 3.023 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.711 1.524 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.889 3.085 -3.851 1.00 0.00 H new ATOM 974 N ALA A 65 6.496 3.027 -2.096 1.00 0.00 N ATOM 975 CA ALA A 65 5.514 3.918 -2.700 1.00 0.00 C ATOM 976 C ALA A 65 5.034 4.965 -1.699 1.00 0.00 C ATOM 977 O ALA A 65 4.732 4.645 -0.549 1.00 0.00 O ATOM 978 CB ALA A 65 4.335 3.119 -3.236 1.00 0.00 C ATOM 0 H ALA A 65 6.353 2.854 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 65 5.994 4.438 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.609 3.798 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.686 2.414 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.864 2.573 -2.419 1.00 0.00 H new ATOM 984 N ARG A 66 4.967 6.215 -2.144 1.00 0.00 N ATOM 985 CA ARG A 66 4.526 7.308 -1.287 1.00 0.00 C ATOM 986 C ARG A 66 3.129 7.778 -1.680 1.00 0.00 C ATOM 987 O ARG A 66 2.878 8.110 -2.839 1.00 0.00 O ATOM 988 CB ARG A 66 5.510 8.477 -1.368 1.00 0.00 C ATOM 989 CG ARG A 66 5.176 9.621 -0.424 1.00 0.00 C ATOM 990 CD ARG A 66 5.874 10.907 -0.838 1.00 0.00 C ATOM 991 NE ARG A 66 7.237 10.982 -0.319 1.00 0.00 N ATOM 992 CZ ARG A 66 8.285 10.435 -0.924 1.00 0.00 C ATOM 993 NH1 ARG A 66 8.128 9.777 -2.064 1.00 0.00 N ATOM 994 NH2 ARG A 66 9.495 10.546 -0.389 1.00 0.00 N ATOM 0 H ARG A 66 5.213 6.496 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 66 4.492 6.940 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.513 8.113 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.529 8.855 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.098 9.779 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.473 9.355 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.896 10.973 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.302 11.762 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 66 7.393 11.482 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.200 9.690 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.935 9.358 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.621 11.052 0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.299 10.125 -0.855 1.00 0.00 H new ATOM 1008 N ILE A 67 2.223 7.803 -0.708 1.00 0.00 N ATOM 1009 CA ILE A 67 0.852 8.232 -0.953 1.00 0.00 C ATOM 1010 C ILE A 67 0.707 9.739 -0.770 1.00 0.00 C ATOM 1011 O ILE A 67 0.996 10.276 0.299 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.138 7.515 -0.016 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.251 6.044 0.144 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.557 7.638 -0.550 1.00 0.00 C ATOM 1015 CD1 ILE A 67 -0.058 5.201 -1.073 1.00 0.00 C ATOM 0 H ILE A 67 2.414 7.531 0.256 1.00 0.00 H new ATOM 0 HA ILE A 67 0.618 7.969 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.097 7.991 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.318 5.980 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.273 5.630 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.245 7.126 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.831 8.691 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.614 7.185 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.244 4.170 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.128 5.234 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.487 5.590 -1.933 1.00 0.00 H new ATOM 1027 N ASP A 68 0.255 10.416 -1.820 1.00 0.00 N ATOM 1028 CA ASP A 68 0.068 11.861 -1.776 1.00 0.00 C ATOM 1029 C ASP A 68 -1.390 12.229 -2.032 1.00 0.00 C ATOM 1030 O ASP A 68 -2.093 11.542 -2.772 1.00 0.00 O ATOM 1031 CB ASP A 68 0.968 12.545 -2.806 1.00 0.00 C ATOM 1032 CG ASP A 68 0.544 12.250 -4.232 1.00 0.00 C ATOM 1033 OD1 ASP A 68 0.974 11.212 -4.775 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -0.218 13.058 -4.804 1.00 0.00 O ATOM 0 H ASP A 68 0.011 9.987 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 68 0.341 12.207 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.951 13.622 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.997 12.216 -2.661 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.839 13.316 -1.412 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.211 13.755 -1.585 1.00 0.00 C ATOM 1041 C GLY A 69 -4.084 13.414 -0.393 1.00 0.00 C ATOM 1042 O GLY A 69 -5.250 13.052 -0.551 1.00 0.00 O ATOM 0 H GLY A 69 -1.277 13.900 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.227 14.833 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.627 13.293 -2.480 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.518 13.527 0.803 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.251 13.226 2.028 1.00 0.00 C ATOM 1048 C LEU A 70 -4.383 14.469 2.903 1.00 0.00 C ATOM 1049 O LEU A 70 -3.801 15.513 2.608 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.549 12.113 2.806 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.930 10.994 1.966 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.828 10.291 2.743 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.998 10.000 1.533 1.00 0.00 C ATOM 0 H LEU A 70 -2.554 13.825 0.951 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.251 12.891 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.763 12.562 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.268 11.668 3.494 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.490 11.437 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.399 9.498 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.051 11.010 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.243 9.861 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.540 9.211 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.467 9.563 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.753 10.513 0.937 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.149 14.348 3.982 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.356 15.460 4.901 1.00 0.00 C ATOM 1067 C ARG A 71 -4.397 15.373 6.085 1.00 0.00 C ATOM 1068 O ARG A 71 -3.989 14.291 6.507 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.801 15.474 5.402 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.766 16.172 4.458 1.00 0.00 C ATOM 1071 CD ARG A 71 -9.078 16.509 5.150 1.00 0.00 C ATOM 1072 NE ARG A 71 -10.037 15.411 5.067 1.00 0.00 N ATOM 1073 CZ ARG A 71 -10.545 14.964 3.924 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -10.187 15.517 2.774 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -11.414 13.961 3.930 1.00 0.00 N ATOM 0 H ARG A 71 -5.637 13.490 4.241 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.157 16.386 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.134 14.447 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.835 15.968 6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.308 17.086 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.961 15.532 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.886 16.744 6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.509 17.402 4.696 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.333 14.963 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.519 16.288 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.579 15.171 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.692 13.533 4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.804 13.618 3.052 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.027 16.540 6.635 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.112 16.622 7.778 1.00 0.00 C ATOM 1091 C PRO A 72 -3.744 16.103 9.065 1.00 0.00 C ATOM 1092 O PRO A 72 -4.889 16.425 9.379 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.821 18.120 7.891 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.006 18.784 7.280 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.475 17.868 6.184 1.00 0.00 C ATOM 0 HA PRO A 72 -2.222 16.010 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.691 18.421 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.904 18.386 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.791 18.940 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.742 19.764 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.558 17.907 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.037 18.135 5.222 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.990 15.297 9.806 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.494 14.747 11.051 1.00 0.00 C ATOM 1105 C GLY A 73 -4.628 13.765 10.834 1.00 0.00 C ATOM 1106 O GLY A 73 -5.680 13.873 11.464 1.00 0.00 O ATOM 0 H GLY A 73 -2.039 15.015 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.682 14.248 11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.839 15.560 11.690 1.00 0.00 H new ATOM 1110 N MET A 74 -4.416 12.806 9.939 1.00 0.00 N ATOM 1111 CA MET A 74 -5.430 11.801 9.641 1.00 0.00 C ATOM 1112 C MET A 74 -4.791 10.437 9.403 1.00 0.00 C ATOM 1113 O MET A 74 -3.755 10.332 8.746 1.00 0.00 O ATOM 1114 CB MET A 74 -6.244 12.217 8.414 1.00 0.00 C ATOM 1115 CG MET A 74 -7.355 13.206 8.728 1.00 0.00 C ATOM 1116 SD MET A 74 -8.510 12.584 9.965 1.00 0.00 S ATOM 1117 CE MET A 74 -9.442 11.402 8.994 1.00 0.00 C ATOM 0 H MET A 74 -3.551 12.703 9.408 1.00 0.00 H new ATOM 0 HA MET A 74 -6.095 11.725 10.501 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.574 12.658 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.679 11.328 7.958 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.916 14.139 9.083 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.899 13.438 7.812 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.443 11.792 8.810 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.937 11.234 8.043 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.514 10.460 9.538 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.414 9.394 9.942 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.906 8.036 9.787 1.00 0.00 C ATOM 1129 C VAL A 75 -5.465 7.380 8.530 1.00 0.00 C ATOM 1130 O VAL A 75 -6.663 7.459 8.256 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.256 7.164 11.007 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.677 5.766 10.849 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.756 7.814 12.288 1.00 0.00 C ATOM 0 H VAL A 75 -6.271 9.463 10.490 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.822 8.111 9.702 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.341 7.077 11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.935 5.165 11.721 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.088 5.301 9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.593 5.829 10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.012 7.184 13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.674 7.933 12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.223 8.792 12.406 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.591 6.732 7.769 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.996 6.063 6.538 1.00 0.00 C ATOM 1145 C TYR A 76 -4.431 4.647 6.476 1.00 0.00 C ATOM 1146 O TYR A 76 -3.216 4.453 6.432 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.532 6.864 5.321 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.176 8.227 5.211 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.614 9.335 5.833 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.347 8.408 4.485 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.200 10.583 5.736 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.939 9.652 4.381 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.362 10.736 5.009 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.947 11.977 4.908 1.00 0.00 O ATOM 0 H TYR A 76 -3.597 6.655 7.983 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.084 6.001 6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.450 6.986 5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.750 6.295 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.703 9.219 6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.802 7.561 3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.750 11.434 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.848 9.775 3.811 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.757 11.913 4.361 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.322 3.661 6.472 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.914 2.262 6.413 1.00 0.00 C ATOM 1166 C VAL A 77 -4.357 1.910 5.038 1.00 0.00 C ATOM 1167 O VAL A 77 -5.109 1.733 4.079 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.089 1.321 6.736 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.695 -0.128 6.492 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.553 1.521 8.171 1.00 0.00 C ATOM 0 H VAL A 77 -6.331 3.805 6.509 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.134 2.127 7.163 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.919 1.564 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.538 -0.779 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.415 -0.258 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.849 -0.387 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.384 0.848 8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.730 1.306 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.878 2.552 8.308 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.035 1.808 4.949 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.377 1.475 3.691 1.00 0.00 C ATOM 1182 C VAL A 78 -1.929 0.018 3.675 1.00 0.00 C ATOM 1183 O VAL A 78 -1.367 -0.480 4.650 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.155 2.379 3.441 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.442 1.970 2.160 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.575 3.839 3.384 1.00 0.00 C ATOM 0 H VAL A 78 -2.398 1.951 5.733 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.108 1.637 2.898 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.459 2.258 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.419 2.619 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.106 0.937 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.127 2.061 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.699 4.463 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.291 3.980 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.037 4.122 4.330 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.182 -0.661 2.560 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.805 -2.062 2.417 1.00 0.00 C ATOM 1198 C GLN A 79 -1.000 -2.281 1.141 1.00 0.00 C ATOM 1199 O GLN A 79 -0.936 -1.407 0.277 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.052 -2.949 2.406 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.509 -3.372 3.793 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.413 -4.589 3.762 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -4.083 -5.636 4.320 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.561 -4.458 3.109 1.00 0.00 N ATOM 0 H GLN A 79 -2.646 -0.263 1.743 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.182 -2.334 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.864 -2.415 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.849 -3.840 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.636 -3.588 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.037 -2.544 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.795 -3.572 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.210 -5.243 3.055 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.385 -3.455 1.029 1.00 0.00 N ATOM 1214 CA VAL A 80 0.417 -3.789 -0.141 1.00 0.00 C ATOM 1215 C VAL A 80 0.373 -5.286 -0.428 1.00 0.00 C ATOM 1216 O VAL A 80 0.356 -6.104 0.493 1.00 0.00 O ATOM 1217 CB VAL A 80 1.883 -3.355 0.039 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.495 -4.032 1.256 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.689 -3.664 -1.214 1.00 0.00 C ATOM 0 H VAL A 80 -0.427 -4.190 1.735 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.013 -3.247 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 80 1.906 -2.277 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.531 -3.713 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.933 -3.755 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.460 -5.114 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.723 -3.350 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.659 -4.736 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.263 -3.128 -2.062 1.00 0.00 H new ATOM 1229 N ARG A 81 0.356 -5.638 -1.709 1.00 0.00 N ATOM 1230 CA ARG A 81 0.314 -7.037 -2.117 1.00 0.00 C ATOM 1231 C ARG A 81 1.284 -7.298 -3.265 1.00 0.00 C ATOM 1232 O ARG A 81 1.776 -6.365 -3.900 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.105 -7.426 -2.535 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.599 -6.689 -3.770 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.852 -7.335 -4.340 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.520 -6.473 -5.311 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.787 -6.624 -5.680 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.520 -7.599 -5.161 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.323 -5.799 -6.570 1.00 0.00 N ATOM 0 H ARG A 81 0.371 -4.973 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 81 0.614 -7.647 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.138 -8.499 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.786 -7.228 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.808 -5.650 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.816 -6.681 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.588 -8.280 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.541 -7.568 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.984 -5.713 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.111 -8.235 -4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.493 -7.713 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.762 -5.048 -6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.296 -5.916 -6.853 1.00 0.00 H new ATOM 1253 N ALA A 82 1.555 -8.573 -3.526 1.00 0.00 N ATOM 1254 CA ALA A 82 2.465 -8.956 -4.598 1.00 0.00 C ATOM 1255 C ALA A 82 1.697 -9.463 -5.815 1.00 0.00 C ATOM 1256 O ALA A 82 0.799 -10.295 -5.691 1.00 0.00 O ATOM 1257 CB ALA A 82 3.441 -10.017 -4.109 1.00 0.00 C ATOM 0 H ALA A 82 1.157 -9.358 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 82 3.027 -8.071 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.114 -10.293 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.021 -9.621 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.888 -10.897 -3.781 1.00 0.00 H new ATOM 1263 N ARG A 83 2.057 -8.954 -6.989 1.00 0.00 N ATOM 1264 CA ARG A 83 1.400 -9.354 -8.227 1.00 0.00 C ATOM 1265 C ARG A 83 2.406 -9.945 -9.210 1.00 0.00 C ATOM 1266 O ARG A 83 3.473 -9.375 -9.443 1.00 0.00 O ATOM 1267 CB ARG A 83 0.692 -8.156 -8.864 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.141 -8.518 -10.082 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.439 -7.295 -10.936 1.00 0.00 C ATOM 1270 NE ARG A 83 0.678 -6.954 -11.813 1.00 0.00 N ATOM 1271 CZ ARG A 83 0.791 -5.788 -12.439 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.140 -4.857 -12.286 1.00 0.00 N ATOM 1273 NH2 ARG A 83 1.837 -5.553 -13.221 1.00 0.00 N ATOM 0 H ARG A 83 2.799 -8.265 -7.108 1.00 0.00 H new ATOM 0 HA ARG A 83 0.661 -10.118 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.048 -7.688 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.438 -7.415 -9.152 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.389 -9.260 -10.679 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.077 -8.976 -9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.329 -7.481 -11.538 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.664 -6.447 -10.289 1.00 0.00 H new ATOM 0 HE ARG A 83 1.411 -7.649 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.946 -5.035 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.051 -3.962 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.555 -6.268 -13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.923 -4.657 -13.702 1.00 0.00 H new ATOM 1287 N THR A 84 2.060 -11.092 -9.786 1.00 0.00 N ATOM 1288 CA THR A 84 2.933 -11.762 -10.742 1.00 0.00 C ATOM 1289 C THR A 84 2.144 -12.274 -11.941 1.00 0.00 C ATOM 1290 O THR A 84 0.930 -12.088 -12.024 1.00 0.00 O ATOM 1291 CB THR A 84 3.680 -12.941 -10.091 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.768 -14.013 -9.827 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.350 -12.508 -8.796 1.00 0.00 C ATOM 0 H THR A 84 1.181 -11.577 -9.607 1.00 0.00 H new ATOM 0 HA THR A 84 3.660 -11.023 -11.078 1.00 0.00 H new ATOM 0 HB THR A 84 4.450 -13.282 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.251 -14.759 -9.415 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.871 -13.357 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.065 -11.712 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.595 -12.144 -8.100 1.00 0.00 H new ATOM 1301 N VAL A 85 2.841 -12.922 -12.869 1.00 0.00 N ATOM 1302 CA VAL A 85 2.205 -13.464 -14.064 1.00 0.00 C ATOM 1303 C VAL A 85 1.162 -14.515 -13.702 1.00 0.00 C ATOM 1304 O VAL A 85 0.325 -14.884 -14.526 1.00 0.00 O ATOM 1305 CB VAL A 85 3.240 -14.090 -15.017 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.615 -15.490 -14.553 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.706 -14.117 -16.441 1.00 0.00 C ATOM 0 H VAL A 85 3.847 -13.084 -12.816 1.00 0.00 H new ATOM 0 HA VAL A 85 1.717 -12.630 -14.568 1.00 0.00 H new ATOM 0 HB VAL A 85 4.140 -13.475 -15.003 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.347 -15.917 -15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.042 -15.439 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.725 -16.118 -14.536 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.451 -14.563 -17.100 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.791 -14.708 -16.475 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.493 -13.100 -16.769 1.00 0.00 H new ATOM 1317 N ALA A 86 1.218 -14.995 -12.464 1.00 0.00 N ATOM 1318 CA ALA A 86 0.276 -16.002 -11.992 1.00 0.00 C ATOM 1319 C ALA A 86 -1.035 -15.363 -11.546 1.00 0.00 C ATOM 1320 O ALA A 86 -2.116 -15.812 -11.924 1.00 0.00 O ATOM 1321 CB ALA A 86 0.889 -16.804 -10.853 1.00 0.00 C ATOM 0 H ALA A 86 1.906 -14.703 -11.770 1.00 0.00 H new ATOM 0 HA ALA A 86 0.057 -16.676 -12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.175 -17.553 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.794 -17.300 -11.203 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.137 -16.135 -10.029 1.00 0.00 H new ATOM 1327 N GLY A 87 -0.931 -14.312 -10.739 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.116 -13.628 -10.254 1.00 0.00 C ATOM 1329 C GLY A 87 -1.804 -12.643 -9.146 1.00 0.00 C ATOM 1330 O GLY A 87 -0.648 -12.486 -8.751 1.00 0.00 O ATOM 0 H GLY A 87 -0.047 -13.922 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.592 -13.101 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.833 -14.364 -9.890 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.836 -11.976 -8.642 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.667 -10.997 -7.575 1.00 0.00 C ATOM 1336 C TYR A 88 -2.532 -11.685 -6.220 1.00 0.00 C ATOM 1337 O TYR A 88 -3.224 -12.663 -5.937 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.849 -10.026 -7.552 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.681 -8.845 -8.479 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -2.883 -7.764 -8.123 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.319 -8.809 -9.713 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -2.728 -6.682 -8.967 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -4.168 -7.731 -10.565 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.372 -6.670 -10.187 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.218 -5.595 -11.032 1.00 0.00 O ATOM 0 H TYR A 88 -3.799 -12.096 -8.955 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.752 -10.439 -7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.756 -10.565 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.989 -9.661 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.375 -7.770 -7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.944 -9.638 -10.012 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.106 -5.849 -8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.670 -7.720 -11.521 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.737 -5.745 -11.850 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.636 -11.167 -5.386 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.427 -11.743 -4.071 1.00 0.00 C ATOM 1357 C GLY A 89 -2.218 -11.029 -2.993 1.00 0.00 C ATOM 1358 O GLY A 89 -2.753 -9.943 -3.219 1.00 0.00 O ATOM 0 H GLY A 89 -1.051 -10.359 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.711 -12.795 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.366 -11.704 -3.825 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.297 -11.641 -1.816 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.029 -11.059 -0.697 1.00 0.00 C ATOM 1364 C LYS A 90 -2.322 -9.813 -0.173 1.00 0.00 C ATOM 1365 O LYS A 90 -1.163 -9.560 -0.504 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.181 -12.084 0.429 1.00 0.00 C ATOM 1367 CG LYS A 90 -1.858 -12.635 0.932 1.00 0.00 C ATOM 1368 CD LYS A 90 -2.058 -13.891 1.763 1.00 0.00 C ATOM 1369 CE LYS A 90 -0.816 -14.225 2.576 1.00 0.00 C ATOM 1370 NZ LYS A 90 -0.800 -15.651 3.004 1.00 0.00 N ATOM 0 H LYS A 90 -1.862 -12.541 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.018 -10.771 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.712 -11.621 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.799 -12.910 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.210 -12.858 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.351 -11.878 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.907 -13.754 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.301 -14.727 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.074 -14.014 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.773 -13.582 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.062 -15.838 3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.636 -15.847 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.815 -16.265 2.165 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.025 -9.040 0.648 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.464 -7.821 1.219 1.00 0.00 C ATOM 1386 C PHE A 91 -1.669 -8.129 2.484 1.00 0.00 C ATOM 1387 O PHE A 91 -1.886 -9.153 3.133 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.577 -6.820 1.533 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.077 -6.080 0.325 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.242 -5.224 -0.374 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.382 -6.242 -0.112 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.699 -4.541 -1.485 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.845 -5.562 -1.223 1.00 0.00 C ATOM 1394 CZ PHE A 91 -5.002 -4.712 -1.911 1.00 0.00 C ATOM 0 H PHE A 91 -3.985 -9.236 0.933 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.788 -7.383 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.410 -7.349 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.211 -6.100 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.222 -5.089 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.045 -6.907 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.038 -3.874 -2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.865 -5.695 -1.552 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.361 -4.182 -2.781 1.00 0.00 H new ATOM 1404 N SER A 92 -0.747 -7.236 2.829 1.00 0.00 N ATOM 1405 CA SER A 92 0.084 -7.414 4.014 1.00 0.00 C ATOM 1406 C SER A 92 -0.685 -7.041 5.278 1.00 0.00 C ATOM 1407 O SER A 92 -1.846 -6.637 5.215 1.00 0.00 O ATOM 1408 CB SER A 92 1.352 -6.564 3.906 1.00 0.00 C ATOM 1409 OG SER A 92 1.049 -5.183 3.993 1.00 0.00 O ATOM 0 H SER A 92 -0.557 -6.382 2.305 1.00 0.00 H new ATOM 0 HA SER A 92 0.364 -8.466 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.046 -6.838 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.853 -6.771 2.960 1.00 0.00 H new ATOM 0 HG SER A 92 1.856 -4.686 4.242 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.028 -7.179 6.425 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.665 -6.853 7.688 1.00 0.00 C ATOM 1417 C GLY A 93 -1.207 -5.438 7.716 1.00 0.00 C ATOM 1418 O GLY A 93 -0.448 -4.476 7.834 1.00 0.00 O ATOM 0 H GLY A 93 0.933 -7.511 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.479 -7.554 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.054 -6.979 8.497 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.525 -5.309 7.605 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.170 -4.001 7.617 1.00 0.00 C ATOM 1424 C LYS A 94 -2.539 -3.093 8.668 1.00 0.00 C ATOM 1425 O LYS A 94 -2.601 -3.377 9.864 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.668 -4.151 7.890 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.491 -4.415 6.641 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.981 -4.389 6.938 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.797 -4.152 5.677 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.756 -2.726 5.249 1.00 0.00 N ATOM 0 H LYS A 94 -3.168 -6.095 7.506 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.029 -3.545 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.820 -4.969 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.034 -3.244 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.257 -3.666 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.219 -5.385 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.279 -5.334 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.195 -3.604 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.416 -4.783 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.831 -4.449 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.834 -2.672 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.548 -2.210 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.857 -2.299 5.551 1.00 0.00 H new ATOM 1444 N MET A 95 -1.934 -2.001 8.213 1.00 0.00 N ATOM 1445 CA MET A 95 -1.294 -1.050 9.116 1.00 0.00 C ATOM 1446 C MET A 95 -1.999 0.302 9.069 1.00 0.00 C ATOM 1447 O MET A 95 -2.845 0.542 8.207 1.00 0.00 O ATOM 1448 CB MET A 95 0.182 -0.882 8.751 1.00 0.00 C ATOM 1449 CG MET A 95 0.975 -0.090 9.778 1.00 0.00 C ATOM 1450 SD MET A 95 2.750 -0.380 9.658 1.00 0.00 S ATOM 1451 CE MET A 95 2.822 -2.152 9.909 1.00 0.00 C ATOM 0 H MET A 95 -1.873 -1.752 7.226 1.00 0.00 H new ATOM 0 HA MET A 95 -1.367 -1.443 10.130 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.634 -1.867 8.636 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.254 -0.383 7.785 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.775 0.973 9.645 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.634 -0.356 10.779 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.845 -2.445 10.146 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.165 -2.430 10.733 1.00 0.00 H new ATOM 0 HE3 MET A 95 2.500 -2.661 9.001 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.646 1.180 10.001 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.246 2.508 10.066 1.00 0.00 C ATOM 1463 C CYS A 96 -1.171 3.587 10.138 1.00 0.00 C ATOM 1464 O CYS A 96 -0.389 3.638 11.088 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.172 2.613 11.279 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.312 2.589 12.869 1.00 0.00 S ATOM 0 H CYS A 96 -0.948 0.997 10.722 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.829 2.661 9.158 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.748 3.535 11.204 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.885 1.789 11.251 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.098 3.026 12.712 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.136 4.449 9.126 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.155 5.526 9.073 1.00 0.00 C ATOM 1474 C PHE A 97 -0.842 6.888 9.067 1.00 0.00 C ATOM 1475 O PHE A 97 -1.797 7.109 8.324 1.00 0.00 O ATOM 1476 CB PHE A 97 0.726 5.381 7.830 1.00 0.00 C ATOM 1477 CG PHE A 97 1.186 3.973 7.582 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.328 3.485 8.198 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.478 3.138 6.733 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.754 2.190 7.972 1.00 0.00 C ATOM 1481 CE2 PHE A 97 0.900 1.842 6.504 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.040 1.368 7.123 1.00 0.00 C ATOM 0 H PHE A 97 -1.776 4.422 8.332 1.00 0.00 H new ATOM 0 HA PHE A 97 0.470 5.458 9.963 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.173 5.733 6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.598 6.026 7.935 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.891 4.124 8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.413 3.504 6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.645 1.821 8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.339 1.200 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.372 0.356 6.943 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.349 7.797 9.903 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.917 9.136 9.995 1.00 0.00 C ATOM 1494 C GLN A 98 0.048 10.176 9.435 1.00 0.00 C ATOM 1495 O GLN A 98 1.265 9.986 9.457 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.257 9.470 11.449 1.00 0.00 C ATOM 1497 CG GLN A 98 -2.132 10.704 11.601 1.00 0.00 C ATOM 1498 CD GLN A 98 -2.247 11.164 13.041 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -1.243 11.436 13.700 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -3.475 11.254 13.538 1.00 0.00 N ATOM 0 H GLN A 98 0.442 7.630 10.525 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.831 9.157 9.401 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.764 8.617 11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.331 9.620 12.005 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.721 11.513 10.997 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -3.127 10.489 11.212 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.279 11.019 12.956 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.614 11.558 14.501 1.00 0.00 H new ATOM 1509 N THR A 99 -0.502 11.277 8.933 1.00 0.00 N ATOM 1510 CA THR A 99 0.310 12.347 8.366 1.00 0.00 C ATOM 1511 C THR A 99 0.853 13.262 9.457 1.00 0.00 C ATOM 1512 O THR A 99 0.584 13.061 10.642 1.00 0.00 O ATOM 1513 CB THR A 99 -0.495 13.189 7.358 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.431 14.022 8.053 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.237 12.295 6.376 1.00 0.00 C ATOM 0 H THR A 99 -1.507 11.451 8.907 1.00 0.00 H new ATOM 0 HA THR A 99 1.142 11.871 7.847 1.00 0.00 H new ATOM 0 HB THR A 99 0.203 13.813 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.267 14.070 7.544 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.798 12.912 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.520 11.683 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.925 11.648 6.921 1.00 0.00 H new ATOM 1523 N LEU A 100 1.619 14.269 9.050 1.00 0.00 N ATOM 1524 CA LEU A 100 2.200 15.218 9.994 1.00 0.00 C ATOM 1525 C LEU A 100 1.136 16.165 10.539 1.00 0.00 C ATOM 1526 O LEU A 100 0.384 16.776 9.778 1.00 0.00 O ATOM 1527 CB LEU A 100 3.316 16.018 9.321 1.00 0.00 C ATOM 1528 CG LEU A 100 4.410 15.199 8.635 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.443 16.116 7.998 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.072 14.256 9.629 1.00 0.00 C ATOM 0 H LEU A 100 1.852 14.449 8.073 1.00 0.00 H new ATOM 0 HA LEU A 100 2.618 14.654 10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.866 16.678 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.784 16.654 10.073 1.00 0.00 H new ATOM 0 HG LEU A 100 3.951 14.601 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.214 15.516 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.958 16.750 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.898 16.740 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.848 13.681 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.518 14.835 10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.325 13.576 10.038 1.00 0.00 H new ATOM 1542 N THR A 101 1.078 16.285 11.862 1.00 0.00 N ATOM 1543 CA THR A 101 0.108 17.159 12.508 1.00 0.00 C ATOM 1544 C THR A 101 0.694 18.544 12.756 1.00 0.00 C ATOM 1545 O THR A 101 1.532 18.725 13.640 1.00 0.00 O ATOM 1546 CB THR A 101 -0.373 16.570 13.848 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.597 16.825 14.871 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.609 15.072 13.728 1.00 0.00 C ATOM 0 H THR A 101 1.692 15.787 12.507 1.00 0.00 H new ATOM 0 HA THR A 101 -0.741 17.244 11.830 1.00 0.00 H new ATOM 0 HB THR A 101 -1.315 17.050 14.113 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.408 17.199 14.467 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.948 14.679 14.687 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.368 14.883 12.969 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.320 14.579 13.442 1.00 0.00 H new ATOM 1556 N ASP A 102 0.249 19.519 11.972 1.00 0.00 N ATOM 1557 CA ASP A 102 0.729 20.889 12.107 1.00 0.00 C ATOM 1558 C ASP A 102 0.477 21.416 13.517 1.00 0.00 C ATOM 1559 O ASP A 102 1.362 22.004 14.138 1.00 0.00 O ATOM 1560 CB ASP A 102 0.046 21.795 11.081 1.00 0.00 C ATOM 1561 CG ASP A 102 0.033 23.249 11.511 1.00 0.00 C ATOM 1562 OD1 ASP A 102 -0.795 23.606 12.375 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.852 24.031 10.983 1.00 0.00 O ATOM 0 H ASP A 102 -0.444 19.386 11.236 1.00 0.00 H new ATOM 0 HA ASP A 102 1.803 20.891 11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.560 21.707 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.978 21.456 10.926 1.00 0.00 H new ATOM 1568 N SER A 103 -0.737 21.202 14.015 1.00 0.00 N ATOM 1569 CA SER A 103 -1.107 21.660 15.349 1.00 0.00 C ATOM 1570 C SER A 103 -1.736 20.529 16.156 1.00 0.00 C ATOM 1571 O SER A 103 -2.106 19.491 15.608 1.00 0.00 O ATOM 1572 CB SER A 103 -2.079 22.837 15.256 1.00 0.00 C ATOM 1573 OG SER A 103 -2.165 23.527 16.491 1.00 0.00 O ATOM 0 H SER A 103 -1.480 20.715 13.515 1.00 0.00 H new ATOM 0 HA SER A 103 -0.200 21.986 15.859 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.751 23.523 14.475 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.066 22.475 14.968 1.00 0.00 H new ATOM 0 HG SER A 103 -2.791 24.276 16.404 1.00 0.00 H new ATOM 1579 N GLY A 104 -1.854 20.738 17.464 1.00 0.00 N ATOM 1580 CA GLY A 104 -2.439 19.728 18.327 1.00 0.00 C ATOM 1581 C GLY A 104 -1.888 19.782 19.738 1.00 0.00 C ATOM 1582 O GLY A 104 -0.854 19.190 20.047 1.00 0.00 O ATOM 0 H GLY A 104 -1.555 21.588 17.941 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.520 19.862 18.357 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.252 18.741 17.905 1.00 0.00 H new ATOM 1586 N PRO A 105 -2.588 20.508 20.623 1.00 0.00 N ATOM 1587 CA PRO A 105 -2.182 20.655 22.024 1.00 0.00 C ATOM 1588 C PRO A 105 -2.340 19.360 22.813 1.00 0.00 C ATOM 1589 O PRO A 105 -3.088 18.467 22.415 1.00 0.00 O ATOM 1590 CB PRO A 105 -3.135 21.727 22.559 1.00 0.00 C ATOM 1591 CG PRO A 105 -4.337 21.636 21.684 1.00 0.00 C ATOM 1592 CD PRO A 105 -3.831 21.239 20.324 1.00 0.00 C ATOM 0 HA PRO A 105 -1.128 20.917 22.117 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.390 21.544 23.603 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.684 22.718 22.510 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.044 20.900 22.067 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.862 22.590 21.642 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.549 20.612 19.795 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.644 22.109 19.695 1.00 0.00 H new ATOM 1600 N SER A 106 -1.631 19.265 23.933 1.00 0.00 N ATOM 1601 CA SER A 106 -1.691 18.077 24.777 1.00 0.00 C ATOM 1602 C SER A 106 -1.963 18.455 26.230 1.00 0.00 C ATOM 1603 O SER A 106 -2.030 19.635 26.573 1.00 0.00 O ATOM 1604 CB SER A 106 -0.382 17.290 24.680 1.00 0.00 C ATOM 1605 OG SER A 106 -0.407 16.394 23.583 1.00 0.00 O ATOM 0 H SER A 106 -1.008 19.996 24.277 1.00 0.00 H new ATOM 0 HA SER A 106 -2.511 17.452 24.423 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.454 17.981 24.571 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.218 16.735 25.604 1.00 0.00 H new ATOM 0 HG SER A 106 0.441 15.904 23.541 1.00 0.00 H new ATOM 1611 N SER A 107 -2.119 17.444 27.079 1.00 0.00 N ATOM 1612 CA SER A 107 -2.388 17.669 28.494 1.00 0.00 C ATOM 1613 C SER A 107 -1.427 16.865 29.364 1.00 0.00 C ATOM 1614 O SER A 107 -1.488 15.637 29.404 1.00 0.00 O ATOM 1615 CB SER A 107 -3.833 17.292 28.827 1.00 0.00 C ATOM 1616 OG SER A 107 -4.053 15.905 28.640 1.00 0.00 O ATOM 0 H SER A 107 -2.064 16.461 26.811 1.00 0.00 H new ATOM 0 HA SER A 107 -2.240 18.729 28.703 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.054 17.563 29.859 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.516 17.860 28.195 1.00 0.00 H new ATOM 0 HG SER A 107 -3.219 15.417 28.801 1.00 0.00 H new ATOM 1622 N GLY A 108 -0.539 17.568 30.061 1.00 0.00 N ATOM 1623 CA GLY A 108 0.423 16.904 30.921 1.00 0.00 C ATOM 1624 C GLY A 108 0.969 15.631 30.306 1.00 0.00 C ATOM 1625 O GLY A 108 1.492 15.647 29.191 1.00 0.00 O ATOM 0 H GLY A 108 -0.469 18.585 30.045 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.248 17.585 31.132 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.049 16.670 31.875 1.00 0.00 H new TER 1629 GLY A 108