USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 743 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 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 10 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.49) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 119:sc= 0.108 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0131) USER MOD Single : A 36 GLN :FLIP amide:sc= 0.559 F(o=0,f=0.56) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0912) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 32:sc= -1.16 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 47 THR OG1 : rot -93:sc= 0.573 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.388 K(o=-0.39,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.7!) USER MOD Single : A 67 ASN : amide:sc= -0.0604 K(o=-0.06,f=-5!) USER MOD Single : A 69 SER OG : rot 45:sc= 1.15 USER MOD Single : A 74 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.8) USER MOD Single : A 75 TYR OH : rot 43:sc= 1.58 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -117:sc= -1.22 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -140:sc=-0.00533 (180deg=-0.682) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0.044 (180deg=0.0276) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.530 -8.926 12.600 1.00 0.00 N ATOM 2 CA GLY A 1 -5.307 -8.878 11.331 1.00 0.00 C ATOM 3 C GLY A 1 -6.801 -8.996 11.561 1.00 0.00 C ATOM 4 O GLY A 1 -7.451 -8.033 11.968 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.515 -8.842 12.389 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.822 -8.141 13.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.709 -9.830 13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.095 -7.942 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.978 -9.685 10.677 1.00 0.00 H new ATOM 10 N SER A 2 -7.347 -10.180 11.299 1.00 0.00 N ATOM 11 CA SER A 2 -8.773 -10.420 11.481 1.00 0.00 C ATOM 12 C SER A 2 -9.052 -11.035 12.848 1.00 0.00 C ATOM 13 O SER A 2 -9.724 -10.432 13.686 1.00 0.00 O ATOM 14 CB SER A 2 -9.302 -11.339 10.378 1.00 0.00 C ATOM 15 OG SER A 2 -9.681 -10.597 9.232 1.00 0.00 O ATOM 0 H SER A 2 -6.823 -10.987 10.960 1.00 0.00 H new ATOM 0 HA SER A 2 -9.287 -9.461 11.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.536 -12.065 10.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.158 -11.902 10.750 1.00 0.00 H new ATOM 0 HG SER A 2 -10.014 -11.208 8.542 1.00 0.00 H new ATOM 21 N SER A 3 -8.532 -12.238 13.067 1.00 0.00 N ATOM 22 CA SER A 3 -8.725 -12.935 14.334 1.00 0.00 C ATOM 23 C SER A 3 -7.409 -13.054 15.095 1.00 0.00 C ATOM 24 O SER A 3 -6.332 -13.037 14.499 1.00 0.00 O ATOM 25 CB SER A 3 -9.313 -14.326 14.090 1.00 0.00 C ATOM 26 OG SER A 3 -10.699 -14.252 13.800 1.00 0.00 O ATOM 0 H SER A 3 -7.974 -12.751 12.384 1.00 0.00 H new ATOM 0 HA SER A 3 -9.422 -12.354 14.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.790 -14.805 13.262 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.155 -14.950 14.970 1.00 0.00 H new ATOM 0 HG SER A 3 -11.050 -15.154 13.647 1.00 0.00 H new ATOM 32 N GLY A 4 -7.506 -13.174 16.414 1.00 0.00 N ATOM 33 CA GLY A 4 -6.315 -13.294 17.236 1.00 0.00 C ATOM 34 C GLY A 4 -6.037 -12.040 18.041 1.00 0.00 C ATOM 35 O GLY A 4 -6.325 -10.930 17.592 1.00 0.00 O ATOM 0 H GLY A 4 -8.386 -13.190 16.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.429 -14.140 17.914 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.458 -13.510 16.599 1.00 0.00 H new ATOM 39 N SER A 5 -5.477 -12.217 19.233 1.00 0.00 N ATOM 40 CA SER A 5 -5.161 -11.090 20.103 1.00 0.00 C ATOM 41 C SER A 5 -3.651 -10.930 20.259 1.00 0.00 C ATOM 42 O SER A 5 -3.167 -10.502 21.306 1.00 0.00 O ATOM 43 CB SER A 5 -5.812 -11.282 21.475 1.00 0.00 C ATOM 44 OG SER A 5 -6.664 -10.196 21.791 1.00 0.00 O ATOM 0 H SER A 5 -5.233 -13.129 19.618 1.00 0.00 H new ATOM 0 HA SER A 5 -5.557 -10.184 19.644 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.383 -12.211 21.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.039 -11.376 22.238 1.00 0.00 H new ATOM 0 HG SER A 5 -7.069 -10.343 22.671 1.00 0.00 H new ATOM 50 N SER A 6 -2.913 -11.277 19.208 1.00 0.00 N ATOM 51 CA SER A 6 -1.459 -11.171 19.228 1.00 0.00 C ATOM 52 C SER A 6 -0.865 -12.043 20.330 1.00 0.00 C ATOM 53 O SER A 6 -1.588 -12.743 21.040 1.00 0.00 O ATOM 54 CB SER A 6 -1.036 -9.715 19.432 1.00 0.00 C ATOM 55 OG SER A 6 -1.823 -8.840 18.643 1.00 0.00 O ATOM 0 H SER A 6 -3.298 -11.633 18.333 1.00 0.00 H new ATOM 0 HA SER A 6 -1.081 -11.522 18.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.134 -9.448 20.484 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.016 -9.599 19.171 1.00 0.00 H new ATOM 0 HG SER A 6 -1.534 -7.916 18.793 1.00 0.00 H new ATOM 61 N GLY A 7 0.456 -11.997 20.467 1.00 0.00 N ATOM 62 CA GLY A 7 1.125 -12.788 21.484 1.00 0.00 C ATOM 63 C GLY A 7 2.611 -12.499 21.559 1.00 0.00 C ATOM 64 O GLY A 7 3.304 -12.502 20.542 1.00 0.00 O ATOM 0 H GLY A 7 1.076 -11.426 19.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.670 -12.587 22.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.974 -13.847 21.274 1.00 0.00 H new ATOM 68 N LEU A 8 3.102 -12.247 22.769 1.00 0.00 N ATOM 69 CA LEU A 8 4.516 -11.954 22.974 1.00 0.00 C ATOM 70 C LEU A 8 4.931 -10.703 22.202 1.00 0.00 C ATOM 71 O LEU A 8 5.299 -10.781 21.030 1.00 0.00 O ATOM 72 CB LEU A 8 5.373 -13.143 22.536 1.00 0.00 C ATOM 73 CG LEU A 8 6.644 -13.364 23.358 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.005 -14.841 23.395 1.00 0.00 C ATOM 75 CD2 LEU A 8 7.794 -12.545 22.792 1.00 0.00 C ATOM 0 H LEU A 8 2.542 -12.240 23.621 1.00 0.00 H new ATOM 0 HA LEU A 8 4.673 -11.772 24.037 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.765 -14.047 22.585 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.654 -13.004 21.492 1.00 0.00 H new ATOM 0 HG LEU A 8 6.457 -13.032 24.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.912 -14.979 23.984 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.189 -15.404 23.848 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.174 -15.200 22.380 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.690 -12.715 23.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.982 -12.846 21.761 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.535 -11.487 22.819 1.00 0.00 H new ATOM 87 N PRO A 9 4.878 -9.527 22.852 1.00 0.00 N ATOM 88 CA PRO A 9 5.251 -8.257 22.220 1.00 0.00 C ATOM 89 C PRO A 9 6.608 -8.329 21.528 1.00 0.00 C ATOM 90 O PRO A 9 6.867 -7.601 20.568 1.00 0.00 O ATOM 91 CB PRO A 9 5.302 -7.278 23.395 1.00 0.00 C ATOM 92 CG PRO A 9 4.361 -7.847 24.399 1.00 0.00 C ATOM 93 CD PRO A 9 4.451 -9.341 24.254 1.00 0.00 C ATOM 0 HA PRO A 9 4.548 -7.970 21.438 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.311 -7.196 23.799 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.998 -6.277 23.090 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.633 -7.536 25.408 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.344 -7.499 24.221 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.170 -9.769 24.953 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.492 -9.822 24.449 1.00 0.00 H new ATOM 101 N ASN A 10 7.473 -9.211 22.019 1.00 0.00 N ATOM 102 CA ASN A 10 8.803 -9.377 21.446 1.00 0.00 C ATOM 103 C ASN A 10 8.790 -10.423 20.336 1.00 0.00 C ATOM 104 O ASN A 10 7.727 -10.862 19.895 1.00 0.00 O ATOM 105 CB ASN A 10 9.802 -9.781 22.532 1.00 0.00 C ATOM 106 CG ASN A 10 9.703 -8.904 23.765 1.00 0.00 C ATOM 107 OD1 ASN A 10 9.321 -7.737 23.680 1.00 0.00 O ATOM 108 ND2 ASN A 10 10.046 -9.464 24.919 1.00 0.00 N ATOM 0 H ASN A 10 7.276 -9.821 22.812 1.00 0.00 H new ATOM 0 HA ASN A 10 9.109 -8.423 21.018 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.628 -10.820 22.813 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.814 -9.725 22.130 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.998 -8.923 25.782 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.357 -10.435 24.942 1.00 0.00 H new ATOM 115 N SER A 11 9.977 -10.819 19.888 1.00 0.00 N ATOM 116 CA SER A 11 10.102 -11.814 18.829 1.00 0.00 C ATOM 117 C SER A 11 9.468 -11.314 17.535 1.00 0.00 C ATOM 118 O SER A 11 8.518 -10.531 17.559 1.00 0.00 O ATOM 119 CB SER A 11 9.450 -13.130 19.256 1.00 0.00 C ATOM 120 OG SER A 11 10.196 -14.244 18.797 1.00 0.00 O ATOM 0 H SER A 11 10.866 -10.466 20.242 1.00 0.00 H new ATOM 0 HA SER A 11 11.163 -11.985 18.649 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.372 -13.164 20.343 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.435 -13.181 18.861 1.00 0.00 H new ATOM 0 HG SER A 11 9.758 -15.072 19.085 1.00 0.00 H new ATOM 126 N ASP A 12 9.999 -11.773 16.406 1.00 0.00 N ATOM 127 CA ASP A 12 9.485 -11.371 15.101 1.00 0.00 C ATOM 128 C ASP A 12 9.929 -12.348 14.018 1.00 0.00 C ATOM 129 O ASP A 12 10.996 -12.190 13.425 1.00 0.00 O ATOM 130 CB ASP A 12 9.956 -9.956 14.758 1.00 0.00 C ATOM 131 CG ASP A 12 8.815 -9.057 14.324 1.00 0.00 C ATOM 132 OD1 ASP A 12 8.187 -8.428 15.202 1.00 0.00 O ATOM 133 OD2 ASP A 12 8.549 -8.981 13.105 1.00 0.00 O ATOM 0 H ASP A 12 10.784 -12.423 16.368 1.00 0.00 H new ATOM 0 HA ASP A 12 8.396 -11.381 15.147 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.449 -9.519 15.627 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.699 -10.006 13.962 1.00 0.00 H new ATOM 138 N HIS A 13 9.103 -13.359 13.763 1.00 0.00 N ATOM 139 CA HIS A 13 9.411 -14.361 12.750 1.00 0.00 C ATOM 140 C HIS A 13 8.673 -14.063 11.449 1.00 0.00 C ATOM 141 O HIS A 13 8.299 -14.976 10.713 1.00 0.00 O ATOM 142 CB HIS A 13 9.036 -15.756 13.254 1.00 0.00 C ATOM 143 CG HIS A 13 9.921 -16.252 14.356 1.00 0.00 C ATOM 144 ND1 HIS A 13 10.032 -17.577 14.712 1.00 0.00 N ATOM 145 CD2 HIS A 13 10.749 -15.570 15.187 1.00 0.00 C ATOM 146 CE1 HIS A 13 10.903 -17.658 15.728 1.00 0.00 C ATOM 147 NE2 HIS A 13 11.367 -16.467 16.054 1.00 0.00 N ATOM 0 H HIS A 13 8.216 -13.505 14.244 1.00 0.00 H new ATOM 0 HA HIS A 13 10.483 -14.328 12.555 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.005 -15.741 13.606 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.078 -16.458 12.421 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.904 -14.501 15.177 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.188 -18.578 16.216 1.00 0.00 H new ATOM 0 HE2 HIS A 13 12.039 -16.248 16.789 1.00 0.00 H new ATOM 155 N THR A 14 8.468 -12.779 11.172 1.00 0.00 N ATOM 156 CA THR A 14 7.775 -12.361 9.959 1.00 0.00 C ATOM 157 C THR A 14 8.751 -11.755 8.956 1.00 0.00 C ATOM 158 O THR A 14 9.613 -10.954 9.318 1.00 0.00 O ATOM 159 CB THR A 14 6.678 -11.350 10.296 1.00 0.00 C ATOM 160 OG1 THR A 14 6.252 -11.502 11.638 1.00 0.00 O ATOM 161 CG2 THR A 14 5.458 -11.473 9.410 1.00 0.00 C ATOM 0 H THR A 14 8.772 -12.011 11.771 1.00 0.00 H new ATOM 0 HA THR A 14 7.320 -13.243 9.508 1.00 0.00 H new ATOM 0 HB THR A 14 7.128 -10.371 10.133 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.551 -10.846 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.719 -10.727 9.703 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.745 -11.311 8.371 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.030 -12.470 9.517 1.00 0.00 H new ATOM 169 N THR A 15 8.610 -12.143 7.692 1.00 0.00 N ATOM 170 CA THR A 15 9.480 -11.639 6.636 1.00 0.00 C ATOM 171 C THR A 15 9.261 -10.144 6.413 1.00 0.00 C ATOM 172 O THR A 15 10.149 -9.444 5.924 1.00 0.00 O ATOM 173 CB THR A 15 9.230 -12.401 5.333 1.00 0.00 C ATOM 174 OG1 THR A 15 8.784 -13.718 5.603 1.00 0.00 O ATOM 175 CG2 THR A 15 10.458 -12.503 4.455 1.00 0.00 C ATOM 0 H THR A 15 7.902 -12.805 7.375 1.00 0.00 H new ATOM 0 HA THR A 15 10.513 -11.793 6.949 1.00 0.00 H new ATOM 0 HB THR A 15 8.471 -11.827 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.628 -14.190 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.212 -13.055 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.800 -11.503 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.248 -13.025 4.994 1.00 0.00 H new ATOM 183 N SER A 16 8.075 -9.660 6.771 1.00 0.00 N ATOM 184 CA SER A 16 7.742 -8.248 6.606 1.00 0.00 C ATOM 185 C SER A 16 8.759 -7.360 7.318 1.00 0.00 C ATOM 186 O SER A 16 9.008 -6.228 6.900 1.00 0.00 O ATOM 187 CB SER A 16 6.339 -7.968 7.144 1.00 0.00 C ATOM 188 OG SER A 16 6.023 -6.589 7.055 1.00 0.00 O ATOM 0 H SER A 16 7.329 -10.224 7.177 1.00 0.00 H new ATOM 0 HA SER A 16 7.769 -8.017 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.608 -8.549 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.273 -8.293 8.182 1.00 0.00 H new ATOM 0 HG SER A 16 5.120 -6.437 7.404 1.00 0.00 H new ATOM 194 N ARG A 17 9.345 -7.878 8.393 1.00 0.00 N ATOM 195 CA ARG A 17 10.334 -7.129 9.158 1.00 0.00 C ATOM 196 C ARG A 17 11.752 -7.532 8.759 1.00 0.00 C ATOM 197 O ARG A 17 12.681 -7.443 9.560 1.00 0.00 O ATOM 198 CB ARG A 17 10.131 -7.357 10.658 1.00 0.00 C ATOM 199 CG ARG A 17 10.499 -6.154 11.511 1.00 0.00 C ATOM 200 CD ARG A 17 11.587 -6.492 12.519 1.00 0.00 C ATOM 201 NE ARG A 17 11.390 -5.798 13.789 1.00 0.00 N ATOM 202 CZ ARG A 17 11.991 -6.148 14.925 1.00 0.00 C ATOM 203 NH1 ARG A 17 12.827 -7.177 14.952 1.00 0.00 N ATOM 204 NH2 ARG A 17 11.755 -5.464 16.037 1.00 0.00 N ATOM 0 H ARG A 17 9.152 -8.813 8.753 1.00 0.00 H new ATOM 0 HA ARG A 17 10.200 -6.070 8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.088 -7.616 10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.731 -8.212 10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.838 -5.342 10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.614 -5.796 12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.600 -7.568 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.560 -6.224 12.106 1.00 0.00 H new ATOM 0 HE ARG A 17 10.756 -4.999 13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.013 -7.705 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.284 -7.440 15.825 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.114 -4.671 16.022 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.215 -5.731 16.907 1.00 0.00 H new ATOM 218 N ALA A 18 11.909 -7.970 7.514 1.00 0.00 N ATOM 219 CA ALA A 18 13.213 -8.384 7.008 1.00 0.00 C ATOM 220 C ALA A 18 13.596 -7.583 5.769 1.00 0.00 C ATOM 221 O ALA A 18 14.739 -7.148 5.627 1.00 0.00 O ATOM 222 CB ALA A 18 13.211 -9.873 6.697 1.00 0.00 C ATOM 0 H ALA A 18 11.150 -8.047 6.837 1.00 0.00 H new ATOM 0 HA ALA A 18 13.956 -8.188 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.191 -10.167 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.988 -10.434 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.453 -10.086 5.943 1.00 0.00 H new ATOM 228 N MET A 19 12.632 -7.390 4.875 1.00 0.00 N ATOM 229 CA MET A 19 12.866 -6.640 3.647 1.00 0.00 C ATOM 230 C MET A 19 12.906 -5.141 3.926 1.00 0.00 C ATOM 231 O MET A 19 13.633 -4.396 3.268 1.00 0.00 O ATOM 232 CB MET A 19 11.777 -6.951 2.619 1.00 0.00 C ATOM 233 CG MET A 19 11.776 -8.397 2.151 1.00 0.00 C ATOM 234 SD MET A 19 12.473 -8.593 0.499 1.00 0.00 S ATOM 235 CE MET A 19 11.139 -9.455 -0.330 1.00 0.00 C ATOM 0 H MET A 19 11.681 -7.743 4.978 1.00 0.00 H new ATOM 0 HA MET A 19 13.832 -6.943 3.244 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.804 -6.717 3.051 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.907 -6.299 1.756 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.345 -9.003 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.754 -8.776 2.157 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.419 -9.649 -1.365 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.946 -10.400 0.177 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.239 -8.841 -0.307 1.00 0.00 H new ATOM 245 N LEU A 20 12.121 -4.706 4.906 1.00 0.00 N ATOM 246 CA LEU A 20 12.066 -3.296 5.274 1.00 0.00 C ATOM 247 C LEU A 20 13.345 -2.872 5.988 1.00 0.00 C ATOM 248 O LEU A 20 13.862 -1.777 5.759 1.00 0.00 O ATOM 249 CB LEU A 20 10.854 -3.027 6.168 1.00 0.00 C ATOM 250 CG LEU A 20 9.495 -3.217 5.493 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.388 -3.293 6.533 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.227 -2.089 4.509 1.00 0.00 C ATOM 0 H LEU A 20 11.514 -5.310 5.460 1.00 0.00 H new ATOM 0 HA LEU A 20 11.970 -2.710 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.907 -3.687 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.917 -2.005 6.541 1.00 0.00 H new ATOM 0 HG LEU A 20 9.513 -4.157 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.428 -3.428 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.572 -4.136 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.369 -2.370 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.256 -2.240 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.229 -1.136 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.004 -2.081 3.744 1.00 0.00 H new ATOM 264 N THR A 21 13.849 -3.744 6.855 1.00 0.00 N ATOM 265 CA THR A 21 15.067 -3.458 7.604 1.00 0.00 C ATOM 266 C THR A 21 16.277 -3.410 6.678 1.00 0.00 C ATOM 267 O THR A 21 17.159 -2.565 6.836 1.00 0.00 O ATOM 268 CB THR A 21 15.282 -4.515 8.690 1.00 0.00 C ATOM 269 OG1 THR A 21 14.150 -4.604 9.536 1.00 0.00 O ATOM 270 CG2 THR A 21 16.488 -4.240 9.562 1.00 0.00 C ATOM 0 H THR A 21 13.433 -4.654 7.056 1.00 0.00 H new ATOM 0 HA THR A 21 14.954 -2.481 8.074 1.00 0.00 H new ATOM 0 HB THR A 21 15.447 -5.450 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.777 -5.509 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.583 -5.027 10.311 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.386 -4.217 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.365 -3.278 10.060 1.00 0.00 H new ATOM 278 N SER A 22 16.313 -4.322 5.712 1.00 0.00 N ATOM 279 CA SER A 22 17.416 -4.382 4.760 1.00 0.00 C ATOM 280 C SER A 22 17.422 -3.155 3.854 1.00 0.00 C ATOM 281 O SER A 22 18.407 -2.418 3.797 1.00 0.00 O ATOM 282 CB SER A 22 17.319 -5.654 3.914 1.00 0.00 C ATOM 283 OG SER A 22 18.507 -5.865 3.172 1.00 0.00 O ATOM 0 H SER A 22 15.592 -5.029 5.568 1.00 0.00 H new ATOM 0 HA SER A 22 18.348 -4.399 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.134 -6.511 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.470 -5.578 3.234 1.00 0.00 H new ATOM 0 HG SER A 22 18.420 -6.684 2.641 1.00 0.00 H new ATOM 289 N LEU A 23 16.317 -2.942 3.148 1.00 0.00 N ATOM 290 CA LEU A 23 16.194 -1.803 2.245 1.00 0.00 C ATOM 291 C LEU A 23 16.288 -0.488 3.012 1.00 0.00 C ATOM 292 O LEU A 23 16.853 0.489 2.521 1.00 0.00 O ATOM 293 CB LEU A 23 14.869 -1.870 1.483 1.00 0.00 C ATOM 294 CG LEU A 23 14.895 -2.719 0.211 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.479 -3.027 -0.253 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.675 -2.011 -0.886 1.00 0.00 C ATOM 0 H LEU A 23 15.494 -3.543 3.183 1.00 0.00 H new ATOM 0 HA LEU A 23 17.017 -1.846 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.104 -2.266 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.568 -0.856 1.219 1.00 0.00 H new ATOM 0 HG LEU A 23 15.396 -3.661 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.516 -3.632 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.951 -3.575 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.953 -2.095 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.683 -2.629 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.203 -1.054 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.699 -1.841 -0.553 1.00 0.00 H new ATOM 308 N GLY A 24 15.730 -0.471 4.218 1.00 0.00 N ATOM 309 CA GLY A 24 15.762 0.728 5.033 1.00 0.00 C ATOM 310 C GLY A 24 14.433 1.457 5.045 1.00 0.00 C ATOM 311 O GLY A 24 14.389 2.679 5.188 1.00 0.00 O ATOM 0 H GLY A 24 15.256 -1.267 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.036 0.462 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.537 1.397 4.659 1.00 0.00 H new ATOM 315 N LEU A 25 13.347 0.707 4.896 1.00 0.00 N ATOM 316 CA LEU A 25 12.010 1.290 4.892 1.00 0.00 C ATOM 317 C LEU A 25 11.300 1.034 6.217 1.00 0.00 C ATOM 318 O LEU A 25 11.619 0.081 6.929 1.00 0.00 O ATOM 319 CB LEU A 25 11.183 0.716 3.739 1.00 0.00 C ATOM 320 CG LEU A 25 11.723 1.021 2.341 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.361 -0.095 1.374 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.186 2.356 1.844 1.00 0.00 C ATOM 0 H LEU A 25 13.366 -0.306 4.776 1.00 0.00 H new ATOM 0 HA LEU A 25 12.112 2.367 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.121 -0.365 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.167 1.104 3.812 1.00 0.00 H new ATOM 0 HG LEU A 25 12.810 1.086 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.753 0.139 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.793 -1.033 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.277 -0.193 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.580 2.558 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.097 2.318 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.496 3.149 2.525 1.00 0.00 H new ATOM 334 N LYS A 26 10.336 1.889 6.539 1.00 0.00 N ATOM 335 CA LYS A 26 9.578 1.755 7.778 1.00 0.00 C ATOM 336 C LYS A 26 8.215 2.428 7.656 1.00 0.00 C ATOM 337 O LYS A 26 7.990 3.238 6.756 1.00 0.00 O ATOM 338 CB LYS A 26 10.359 2.363 8.946 1.00 0.00 C ATOM 339 CG LYS A 26 11.149 1.340 9.747 1.00 0.00 C ATOM 340 CD LYS A 26 12.464 1.917 10.245 1.00 0.00 C ATOM 341 CE LYS A 26 13.560 0.864 10.270 1.00 0.00 C ATOM 342 NZ LYS A 26 13.251 -0.236 11.225 1.00 0.00 N ATOM 0 H LYS A 26 10.061 2.682 5.960 1.00 0.00 H new ATOM 0 HA LYS A 26 9.423 0.693 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.044 3.118 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.663 2.874 9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.554 1.003 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.346 0.465 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.767 2.744 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.327 2.325 11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.689 0.451 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.505 1.330 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.030 -0.925 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.136 0.157 12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.371 -0.709 10.937 1.00 0.00 H new ATOM 356 N LEU A 27 7.308 2.088 8.565 1.00 0.00 N ATOM 357 CA LEU A 27 5.966 2.659 8.558 1.00 0.00 C ATOM 358 C LEU A 27 6.007 4.146 8.892 1.00 0.00 C ATOM 359 O LEU A 27 6.711 4.568 9.810 1.00 0.00 O ATOM 360 CB LEU A 27 5.070 1.924 9.555 1.00 0.00 C ATOM 361 CG LEU A 27 4.977 0.412 9.349 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.549 -0.277 10.635 1.00 0.00 C ATOM 363 CD2 LEU A 27 4.009 0.087 8.222 1.00 0.00 C ATOM 0 H LEU A 27 7.478 1.420 9.316 1.00 0.00 H new ATOM 0 HA LEU A 27 5.553 2.541 7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.439 2.116 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.066 2.346 9.498 1.00 0.00 H new ATOM 0 HG LEU A 27 5.964 0.041 9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.488 -1.353 10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.279 -0.071 11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.573 0.098 10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.955 -0.994 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.020 0.472 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.357 0.549 7.298 1.00 0.00 H new ATOM 375 N GLY A 28 5.247 4.937 8.142 1.00 0.00 N ATOM 376 CA GLY A 28 5.211 6.369 8.375 1.00 0.00 C ATOM 377 C GLY A 28 6.136 7.131 7.446 1.00 0.00 C ATOM 378 O GLY A 28 5.871 8.283 7.103 1.00 0.00 O ATOM 0 H GLY A 28 4.655 4.612 7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.191 6.730 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.490 6.573 9.409 1.00 0.00 H new ATOM 382 N ASP A 29 7.224 6.485 7.039 1.00 0.00 N ATOM 383 CA ASP A 29 8.191 7.109 6.144 1.00 0.00 C ATOM 384 C ASP A 29 7.583 7.344 4.765 1.00 0.00 C ATOM 385 O ASP A 29 6.439 6.970 4.508 1.00 0.00 O ATOM 386 CB ASP A 29 9.441 6.234 6.021 1.00 0.00 C ATOM 387 CG ASP A 29 10.373 6.390 7.206 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.873 6.572 8.336 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.604 6.328 7.004 1.00 0.00 O ATOM 0 H ASP A 29 7.458 5.531 7.314 1.00 0.00 H new ATOM 0 HA ASP A 29 8.471 8.074 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.143 5.189 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.974 6.493 5.106 1.00 0.00 H new ATOM 394 N ARG A 30 8.358 7.964 3.881 1.00 0.00 N ATOM 395 CA ARG A 30 7.896 8.248 2.527 1.00 0.00 C ATOM 396 C ARG A 30 8.437 7.218 1.541 1.00 0.00 C ATOM 397 O ARG A 30 9.648 7.024 1.434 1.00 0.00 O ATOM 398 CB ARG A 30 8.325 9.654 2.103 1.00 0.00 C ATOM 399 CG ARG A 30 7.581 10.761 2.831 1.00 0.00 C ATOM 400 CD ARG A 30 7.125 11.853 1.874 1.00 0.00 C ATOM 401 NE ARG A 30 6.530 12.986 2.577 1.00 0.00 N ATOM 402 CZ ARG A 30 6.324 14.178 2.022 1.00 0.00 C ATOM 403 NH1 ARG A 30 6.666 14.397 0.759 1.00 0.00 N ATOM 404 NH2 ARG A 30 5.775 15.154 2.733 1.00 0.00 N ATOM 0 H ARG A 30 9.308 8.279 4.078 1.00 0.00 H new ATOM 0 HA ARG A 30 6.807 8.192 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.394 9.768 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.167 9.765 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.716 10.342 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.227 11.193 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.976 12.198 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.400 11.440 1.173 1.00 0.00 H new ATOM 0 HE ARG A 30 6.256 12.856 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.089 13.650 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.506 15.312 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.511 14.991 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.617 16.068 2.308 1.00 0.00 H new ATOM 418 N VAL A 31 7.532 6.560 0.824 1.00 0.00 N ATOM 419 CA VAL A 31 7.919 5.549 -0.153 1.00 0.00 C ATOM 420 C VAL A 31 7.462 5.936 -1.556 1.00 0.00 C ATOM 421 O VAL A 31 6.552 6.748 -1.721 1.00 0.00 O ATOM 422 CB VAL A 31 7.332 4.170 0.202 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.981 3.622 1.463 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.822 4.259 0.367 1.00 0.00 C ATOM 0 H VAL A 31 6.526 6.709 0.901 1.00 0.00 H new ATOM 0 HA VAL A 31 9.007 5.490 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 31 7.545 3.483 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.554 2.647 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.054 3.519 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.801 4.307 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.425 3.275 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.584 4.961 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.374 4.605 -0.565 1.00 0.00 H new ATOM 434 N VAL A 32 8.101 5.350 -2.563 1.00 0.00 N ATOM 435 CA VAL A 32 7.761 5.634 -3.953 1.00 0.00 C ATOM 436 C VAL A 32 7.528 4.344 -4.734 1.00 0.00 C ATOM 437 O VAL A 32 8.394 3.471 -4.782 1.00 0.00 O ATOM 438 CB VAL A 32 8.867 6.455 -4.645 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.178 5.682 -4.665 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.445 6.841 -6.056 1.00 0.00 C ATOM 0 H VAL A 32 8.857 4.676 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 32 6.841 6.219 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 32 9.022 7.370 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.945 6.279 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.488 5.465 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.041 4.747 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.239 7.420 -6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.258 5.939 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.536 7.440 -6.013 1.00 0.00 H new ATOM 450 N ILE A 33 6.354 4.233 -5.346 1.00 0.00 N ATOM 451 CA ILE A 33 6.007 3.051 -6.125 1.00 0.00 C ATOM 452 C ILE A 33 6.645 3.101 -7.510 1.00 0.00 C ATOM 453 O ILE A 33 6.335 3.978 -8.317 1.00 0.00 O ATOM 454 CB ILE A 33 4.481 2.907 -6.281 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.792 3.056 -4.924 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.137 1.567 -6.913 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.303 3.303 -5.026 1.00 0.00 C ATOM 0 H ILE A 33 5.627 4.948 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 33 6.391 2.189 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 33 4.121 3.699 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.963 2.153 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.253 3.881 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.055 1.480 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.602 1.498 -7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.507 0.760 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.881 3.398 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.124 4.222 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.830 2.467 -5.541 1.00 0.00 H new ATOM 469 N ALA A 34 7.539 2.154 -7.778 1.00 0.00 N ATOM 470 CA ALA A 34 8.222 2.090 -9.065 1.00 0.00 C ATOM 471 C ALA A 34 9.021 3.362 -9.325 1.00 0.00 C ATOM 472 O ALA A 34 9.231 3.750 -10.475 1.00 0.00 O ATOM 473 CB ALA A 34 7.217 1.857 -10.183 1.00 0.00 C ATOM 0 H ALA A 34 7.807 1.421 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 34 8.920 1.253 -9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.740 1.811 -11.138 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.693 0.917 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.498 2.676 -10.202 1.00 0.00 H new ATOM 479 N GLY A 35 9.465 4.009 -8.251 1.00 0.00 N ATOM 480 CA GLY A 35 10.238 5.231 -8.385 1.00 0.00 C ATOM 481 C GLY A 35 9.503 6.300 -9.172 1.00 0.00 C ATOM 482 O GLY A 35 10.124 7.134 -9.829 1.00 0.00 O ATOM 0 H GLY A 35 9.303 3.708 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.479 5.615 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.184 5.007 -8.878 1.00 0.00 H new ATOM 486 N GLN A 36 8.176 6.273 -9.104 1.00 0.00 N ATOM 487 CA GLN A 36 7.355 7.247 -9.816 1.00 0.00 C ATOM 488 C GLN A 36 6.314 7.864 -8.888 1.00 0.00 C ATOM 489 O GLN A 36 6.374 9.054 -8.575 1.00 0.00 O ATOM 490 CB GLN A 36 6.664 6.584 -11.010 1.00 0.00 C ATOM 491 CG GLN A 36 7.439 6.717 -12.311 1.00 0.00 C ATOM 492 CD GLN A 36 7.381 5.458 -13.154 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.449 5.421 -14.099 1.00 0.00 O flip ATOM 494 NE2 GLN A 36 8.164 4.528 -12.957 1.00 0.00 N flip ATOM 0 H GLN A 36 7.646 5.589 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 36 8.008 8.042 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.515 5.527 -10.792 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.676 7.025 -11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.039 7.553 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.479 6.953 -12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.865 4.599 -12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.112 3.687 -13.531 1.00 0.00 H new ATOM 503 N LYS A 37 5.358 7.050 -8.452 1.00 0.00 N ATOM 504 CA LYS A 37 4.303 7.517 -7.560 1.00 0.00 C ATOM 505 C LYS A 37 4.839 7.734 -6.150 1.00 0.00 C ATOM 506 O LYS A 37 5.339 6.805 -5.515 1.00 0.00 O ATOM 507 CB LYS A 37 3.148 6.514 -7.532 1.00 0.00 C ATOM 508 CG LYS A 37 2.532 6.256 -8.898 1.00 0.00 C ATOM 509 CD LYS A 37 1.026 6.067 -8.804 1.00 0.00 C ATOM 510 CE LYS A 37 0.354 6.282 -10.150 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.125 7.682 -10.314 1.00 0.00 N ATOM 0 H LYS A 37 5.292 6.063 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 37 3.937 8.471 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.507 5.571 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.375 6.882 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.754 7.091 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.984 5.368 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.806 5.063 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.615 6.765 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.056 6.043 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.488 5.596 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.802 7.727 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.592 7.994 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.684 8.304 -10.516 1.00 0.00 H new ATOM 525 N VAL A 38 4.731 8.966 -5.664 1.00 0.00 N ATOM 526 CA VAL A 38 5.205 9.306 -4.328 1.00 0.00 C ATOM 527 C VAL A 38 4.061 9.293 -3.319 1.00 0.00 C ATOM 528 O VAL A 38 3.106 10.060 -3.439 1.00 0.00 O ATOM 529 CB VAL A 38 5.878 10.690 -4.304 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.542 10.939 -2.958 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.887 10.813 -5.436 1.00 0.00 C ATOM 0 H VAL A 38 4.319 9.746 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 38 5.939 8.549 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 38 5.110 11.449 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.012 11.922 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.791 10.898 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.299 10.175 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.353 11.798 -5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.653 10.046 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.379 10.684 -6.392 1.00 0.00 H new ATOM 541 N GLY A 39 4.167 8.416 -2.325 1.00 0.00 N ATOM 542 CA GLY A 39 3.135 8.320 -1.309 1.00 0.00 C ATOM 543 C GLY A 39 3.692 7.940 0.049 1.00 0.00 C ATOM 544 O GLY A 39 4.860 7.568 0.167 1.00 0.00 O ATOM 0 H GLY A 39 4.948 7.771 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.616 9.275 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.396 7.580 -1.615 1.00 0.00 H new ATOM 548 N THR A 40 2.855 8.032 1.077 1.00 0.00 N ATOM 549 CA THR A 40 3.271 7.696 2.433 1.00 0.00 C ATOM 550 C THR A 40 2.908 6.254 2.772 1.00 0.00 C ATOM 551 O THR A 40 1.734 5.884 2.775 1.00 0.00 O ATOM 552 CB THR A 40 2.621 8.648 3.439 1.00 0.00 C ATOM 553 OG1 THR A 40 2.470 9.941 2.881 1.00 0.00 O ATOM 554 CG2 THR A 40 3.411 8.792 4.722 1.00 0.00 C ATOM 0 H THR A 40 1.885 8.336 0.997 1.00 0.00 H new ATOM 0 HA THR A 40 4.354 7.802 2.491 1.00 0.00 H new ATOM 0 HB THR A 40 1.654 8.204 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.051 10.534 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.895 9.480 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.503 7.819 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.404 9.181 4.496 1.00 0.00 H new ATOM 562 N LEU A 41 3.923 5.445 3.057 1.00 0.00 N ATOM 563 CA LEU A 41 3.713 4.044 3.398 1.00 0.00 C ATOM 564 C LEU A 41 2.840 3.912 4.642 1.00 0.00 C ATOM 565 O LEU A 41 3.161 4.457 5.698 1.00 0.00 O ATOM 566 CB LEU A 41 5.054 3.346 3.624 1.00 0.00 C ATOM 567 CG LEU A 41 4.959 1.878 4.044 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.419 1.030 2.903 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.318 1.364 4.495 1.00 0.00 C ATOM 0 H LEU A 41 4.900 5.737 3.058 1.00 0.00 H new ATOM 0 HA LEU A 41 3.199 3.566 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.638 3.408 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.606 3.892 4.389 1.00 0.00 H new ATOM 0 HG LEU A 41 4.267 1.804 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.359 -0.011 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.426 1.383 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.085 1.109 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.232 0.318 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.031 1.452 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.666 1.953 5.343 1.00 0.00 H new ATOM 581 N ARG A 42 1.736 3.184 4.510 1.00 0.00 N ATOM 582 CA ARG A 42 0.817 2.979 5.624 1.00 0.00 C ATOM 583 C ARG A 42 0.805 1.517 6.058 1.00 0.00 C ATOM 584 O ARG A 42 0.906 1.212 7.247 1.00 0.00 O ATOM 585 CB ARG A 42 -0.595 3.419 5.234 1.00 0.00 C ATOM 586 CG ARG A 42 -0.747 4.926 5.101 1.00 0.00 C ATOM 587 CD ARG A 42 -0.564 5.624 6.440 1.00 0.00 C ATOM 588 NE ARG A 42 -1.497 6.736 6.608 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.793 7.283 7.785 1.00 0.00 C ATOM 590 NH1 ARG A 42 -1.233 6.824 8.898 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.651 8.292 7.850 1.00 0.00 N ATOM 0 H ARG A 42 1.456 2.726 3.643 1.00 0.00 H new ATOM 0 HA ARG A 42 1.161 3.585 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.865 2.950 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.300 3.056 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.015 5.305 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.733 5.159 4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.707 4.905 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.459 5.993 6.520 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.948 7.115 5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.572 6.048 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.464 7.247 9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.084 8.649 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.878 8.711 8.752 1.00 0.00 H new ATOM 605 N PHE A 43 0.681 0.618 5.088 1.00 0.00 N ATOM 606 CA PHE A 43 0.656 -0.813 5.370 1.00 0.00 C ATOM 607 C PHE A 43 1.638 -1.561 4.473 1.00 0.00 C ATOM 608 O PHE A 43 1.997 -1.083 3.396 1.00 0.00 O ATOM 609 CB PHE A 43 -0.756 -1.368 5.172 1.00 0.00 C ATOM 610 CG PHE A 43 -0.877 -2.830 5.495 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.907 -3.262 6.811 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.960 -3.772 4.481 1.00 0.00 C ATOM 613 CE1 PHE A 43 -1.019 -4.608 7.111 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.071 -5.118 4.775 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.100 -5.536 6.091 1.00 0.00 C ATOM 0 H PHE A 43 0.596 0.855 4.099 1.00 0.00 H new ATOM 0 HA PHE A 43 0.955 -0.959 6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.449 -0.807 5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.059 -1.206 4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.842 -2.540 7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.938 -3.451 3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.043 -4.933 8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.135 -5.842 3.976 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.186 -6.587 6.322 1.00 0.00 H new ATOM 625 N CYS A 44 2.069 -2.735 4.924 1.00 0.00 N ATOM 626 CA CYS A 44 3.010 -3.547 4.161 1.00 0.00 C ATOM 627 C CYS A 44 2.853 -5.026 4.503 1.00 0.00 C ATOM 628 O CYS A 44 2.521 -5.380 5.634 1.00 0.00 O ATOM 629 CB CYS A 44 4.445 -3.098 4.437 1.00 0.00 C ATOM 630 SG CYS A 44 4.824 -2.870 6.190 1.00 0.00 S ATOM 0 H CYS A 44 1.782 -3.145 5.813 1.00 0.00 H new ATOM 0 HA CYS A 44 2.792 -3.412 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.131 -3.836 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.628 -2.161 3.912 1.00 0.00 H new ATOM 0 HG CYS A 44 4.134 -3.715 6.897 1.00 0.00 H new ATOM 636 N GLY A 45 3.095 -5.885 3.517 1.00 0.00 N ATOM 637 CA GLY A 45 2.975 -7.315 3.733 1.00 0.00 C ATOM 638 C GLY A 45 2.138 -7.994 2.667 1.00 0.00 C ATOM 639 O GLY A 45 2.138 -7.577 1.509 1.00 0.00 O ATOM 0 H GLY A 45 3.372 -5.616 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.969 -7.762 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.529 -7.495 4.711 1.00 0.00 H new ATOM 643 N THR A 46 1.422 -9.043 3.060 1.00 0.00 N ATOM 644 CA THR A 46 0.575 -9.782 2.129 1.00 0.00 C ATOM 645 C THR A 46 -0.865 -9.284 2.192 1.00 0.00 C ATOM 646 O THR A 46 -1.341 -8.861 3.247 1.00 0.00 O ATOM 647 CB THR A 46 0.626 -11.279 2.440 1.00 0.00 C ATOM 648 OG1 THR A 46 1.008 -11.500 3.786 1.00 0.00 O ATOM 649 CG2 THR A 46 1.594 -12.040 1.558 1.00 0.00 C ATOM 0 H THR A 46 1.411 -9.400 4.015 1.00 0.00 H new ATOM 0 HA THR A 46 0.953 -9.615 1.120 1.00 0.00 H new ATOM 0 HB THR A 46 -0.382 -11.648 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.033 -12.463 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.582 -13.095 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.298 -11.931 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.600 -11.642 1.693 1.00 0.00 H new ATOM 657 N THR A 47 -1.554 -9.335 1.058 1.00 0.00 N ATOM 658 CA THR A 47 -2.940 -8.889 0.983 1.00 0.00 C ATOM 659 C THR A 47 -3.883 -10.070 0.781 1.00 0.00 C ATOM 660 O THR A 47 -3.444 -11.215 0.655 1.00 0.00 O ATOM 661 CB THR A 47 -3.113 -7.883 -0.155 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.524 -8.370 -1.348 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.499 -6.532 0.141 1.00 0.00 C ATOM 0 H THR A 47 -1.175 -9.681 0.177 1.00 0.00 H new ATOM 0 HA THR A 47 -3.191 -8.406 1.927 1.00 0.00 H new ATOM 0 HB THR A 47 -4.190 -7.757 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.606 -8.035 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.658 -5.866 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.967 -6.106 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.429 -6.649 0.315 1.00 0.00 H new ATOM 671 N GLU A 48 -5.181 -9.786 0.748 1.00 0.00 N ATOM 672 CA GLU A 48 -6.188 -10.825 0.560 1.00 0.00 C ATOM 673 C GLU A 48 -6.864 -10.687 -0.801 1.00 0.00 C ATOM 674 O GLU A 48 -8.040 -11.014 -0.957 1.00 0.00 O ATOM 675 CB GLU A 48 -7.236 -10.756 1.672 1.00 0.00 C ATOM 676 CG GLU A 48 -6.887 -11.595 2.890 1.00 0.00 C ATOM 677 CD GLU A 48 -7.265 -13.053 2.722 1.00 0.00 C ATOM 678 OE1 GLU A 48 -8.336 -13.325 2.139 1.00 0.00 O ATOM 679 OE2 GLU A 48 -6.490 -13.923 3.173 1.00 0.00 O ATOM 0 H GLU A 48 -5.561 -8.845 0.849 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.688 -11.793 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.359 -9.718 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.196 -11.087 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.817 -11.521 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.397 -11.190 3.764 1.00 0.00 H new ATOM 686 N PHE A 49 -6.112 -10.199 -1.782 1.00 0.00 N ATOM 687 CA PHE A 49 -6.637 -10.019 -3.130 1.00 0.00 C ATOM 688 C PHE A 49 -5.522 -10.108 -4.167 1.00 0.00 C ATOM 689 O PHE A 49 -5.588 -9.476 -5.221 1.00 0.00 O ATOM 690 CB PHE A 49 -7.349 -8.669 -3.246 1.00 0.00 C ATOM 691 CG PHE A 49 -6.450 -7.493 -2.984 1.00 0.00 C ATOM 692 CD1 PHE A 49 -6.290 -6.999 -1.700 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.768 -6.882 -4.024 1.00 0.00 C ATOM 694 CE1 PHE A 49 -5.464 -5.917 -1.458 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.941 -5.801 -3.788 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.789 -5.317 -2.503 1.00 0.00 C ATOM 0 H PHE A 49 -5.137 -9.921 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.352 -10.819 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.774 -8.576 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.181 -8.644 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.816 -7.464 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.884 -7.255 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.347 -5.541 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.414 -5.335 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.144 -4.471 -2.316 1.00 0.00 H new ATOM 706 N ALA A 50 -4.498 -10.899 -3.860 1.00 0.00 N ATOM 707 CA ALA A 50 -3.369 -11.072 -4.766 1.00 0.00 C ATOM 708 C ALA A 50 -2.380 -12.097 -4.220 1.00 0.00 C ATOM 709 O ALA A 50 -2.541 -12.598 -3.107 1.00 0.00 O ATOM 710 CB ALA A 50 -2.672 -9.740 -5.003 1.00 0.00 C ATOM 0 H ALA A 50 -4.428 -11.429 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.752 -11.443 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.831 -9.885 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.376 -9.034 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.309 -9.346 -4.054 1.00 0.00 H new ATOM 716 N SER A 51 -1.357 -12.405 -5.012 1.00 0.00 N ATOM 717 CA SER A 51 -0.341 -13.371 -4.607 1.00 0.00 C ATOM 718 C SER A 51 1.052 -12.755 -4.674 1.00 0.00 C ATOM 719 O SER A 51 1.573 -12.490 -5.758 1.00 0.00 O ATOM 720 CB SER A 51 -0.406 -14.613 -5.496 1.00 0.00 C ATOM 721 OG SER A 51 -1.674 -15.239 -5.408 1.00 0.00 O ATOM 0 H SER A 51 -1.210 -12.000 -5.937 1.00 0.00 H new ATOM 0 HA SER A 51 -0.541 -13.661 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.206 -14.334 -6.531 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.372 -15.317 -5.200 1.00 0.00 H new ATOM 0 HG SER A 51 -1.690 -16.029 -5.987 1.00 0.00 H new ATOM 727 N GLY A 52 1.651 -12.530 -3.510 1.00 0.00 N ATOM 728 CA GLY A 52 2.979 -11.947 -3.459 1.00 0.00 C ATOM 729 C GLY A 52 3.098 -10.869 -2.400 1.00 0.00 C ATOM 730 O GLY A 52 2.376 -10.885 -1.404 1.00 0.00 O ATOM 0 H GLY A 52 1.241 -12.741 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.709 -12.731 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.224 -11.524 -4.433 1.00 0.00 H new ATOM 734 N GLN A 53 4.013 -9.929 -2.616 1.00 0.00 N ATOM 735 CA GLN A 53 4.224 -8.839 -1.672 1.00 0.00 C ATOM 736 C GLN A 53 3.408 -7.611 -2.064 1.00 0.00 C ATOM 737 O GLN A 53 3.265 -7.300 -3.247 1.00 0.00 O ATOM 738 CB GLN A 53 5.710 -8.476 -1.604 1.00 0.00 C ATOM 739 CG GLN A 53 6.475 -9.245 -0.539 1.00 0.00 C ATOM 740 CD GLN A 53 6.052 -8.869 0.868 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.485 -7.851 1.406 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.203 -9.693 1.470 1.00 0.00 N ATOM 0 H GLN A 53 4.619 -9.901 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 53 3.892 -9.175 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.167 -8.665 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.806 -7.408 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.322 -10.314 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.542 -9.057 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.870 -10.526 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.883 -9.493 2.418 1.00 0.00 H new ATOM 751 N TRP A 54 2.874 -6.918 -1.064 1.00 0.00 N ATOM 752 CA TRP A 54 2.071 -5.724 -1.304 1.00 0.00 C ATOM 753 C TRP A 54 2.180 -4.752 -0.134 1.00 0.00 C ATOM 754 O TRP A 54 2.642 -5.116 0.947 1.00 0.00 O ATOM 755 CB TRP A 54 0.609 -6.105 -1.534 1.00 0.00 C ATOM 756 CG TRP A 54 0.401 -6.959 -2.748 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.296 -8.319 -2.786 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.274 -6.507 -4.101 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.112 -8.742 -4.080 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.094 -7.649 -4.905 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.294 -5.249 -4.710 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.064 -7.568 -6.287 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.136 -5.172 -6.082 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.041 -6.324 -6.857 1.00 0.00 C ATOM 0 H TRP A 54 2.983 -7.162 -0.080 1.00 0.00 H new ATOM 0 HA TRP A 54 2.454 -5.232 -2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.237 -6.636 -0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.015 -5.196 -1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.350 -8.968 -1.925 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.006 -9.712 -4.378 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.430 -4.354 -4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.200 -8.456 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.149 -4.206 -6.564 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.162 -6.229 -7.926 1.00 0.00 H new ATOM 775 N ALA A 55 1.750 -3.514 -0.357 1.00 0.00 N ATOM 776 CA ALA A 55 1.799 -2.490 0.678 1.00 0.00 C ATOM 777 C ALA A 55 0.803 -1.372 0.392 1.00 0.00 C ATOM 778 O ALA A 55 0.628 -0.961 -0.755 1.00 0.00 O ATOM 779 CB ALA A 55 3.207 -1.928 0.797 1.00 0.00 C ATOM 0 H ALA A 55 1.364 -3.197 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 55 1.523 -2.952 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.229 -1.164 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.898 -2.730 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.504 -1.487 -0.154 1.00 0.00 H new ATOM 785 N GLY A 56 0.152 -0.883 1.442 1.00 0.00 N ATOM 786 CA GLY A 56 -0.819 0.185 1.282 1.00 0.00 C ATOM 787 C GLY A 56 -0.204 1.560 1.454 1.00 0.00 C ATOM 788 O GLY A 56 0.232 1.919 2.547 1.00 0.00 O ATOM 0 H GLY A 56 0.279 -1.207 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.272 0.114 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.620 0.055 2.010 1.00 0.00 H new ATOM 792 N ILE A 57 -0.168 2.329 0.371 1.00 0.00 N ATOM 793 CA ILE A 57 0.398 3.673 0.405 1.00 0.00 C ATOM 794 C ILE A 57 -0.660 4.723 0.083 1.00 0.00 C ATOM 795 O ILE A 57 -1.540 4.497 -0.748 1.00 0.00 O ATOM 796 CB ILE A 57 1.567 3.816 -0.588 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.556 2.660 -0.419 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.265 5.154 -0.393 1.00 0.00 C ATOM 799 CD1 ILE A 57 2.525 1.666 -1.560 1.00 0.00 C ATOM 0 H ILE A 57 -0.524 2.045 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 57 0.770 3.834 1.417 1.00 0.00 H new ATOM 0 HB ILE A 57 1.170 3.780 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.564 3.065 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.337 2.138 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.089 5.241 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.554 5.963 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.653 5.217 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.251 0.875 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.528 1.233 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.774 2.174 -2.492 1.00 0.00 H new ATOM 811 N GLU A 58 -0.568 5.871 0.745 1.00 0.00 N ATOM 812 CA GLU A 58 -1.518 6.956 0.530 1.00 0.00 C ATOM 813 C GLU A 58 -0.878 8.088 -0.267 1.00 0.00 C ATOM 814 O GLU A 58 -0.137 8.905 0.280 1.00 0.00 O ATOM 815 CB GLU A 58 -2.031 7.489 1.869 1.00 0.00 C ATOM 816 CG GLU A 58 -3.243 8.399 1.740 1.00 0.00 C ATOM 817 CD GLU A 58 -2.983 9.796 2.267 1.00 0.00 C ATOM 818 OE1 GLU A 58 -1.875 10.322 2.034 1.00 0.00 O ATOM 819 OE2 GLU A 58 -3.888 10.364 2.914 1.00 0.00 O ATOM 0 H GLU A 58 0.155 6.074 1.435 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.358 6.560 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.287 6.647 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.228 8.035 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.537 8.459 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.081 7.961 2.282 1.00 0.00 H new ATOM 826 N LEU A 59 -1.169 8.131 -1.564 1.00 0.00 N ATOM 827 CA LEU A 59 -0.622 9.164 -2.436 1.00 0.00 C ATOM 828 C LEU A 59 -1.097 10.548 -2.005 1.00 0.00 C ATOM 829 O LEU A 59 -2.228 10.710 -1.545 1.00 0.00 O ATOM 830 CB LEU A 59 -1.028 8.902 -3.888 1.00 0.00 C ATOM 831 CG LEU A 59 -0.508 7.591 -4.481 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.228 7.271 -5.782 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.994 7.667 -4.706 1.00 0.00 C ATOM 0 H LEU A 59 -1.780 7.463 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 59 0.465 9.132 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.116 8.905 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.671 9.728 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.709 6.788 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.845 6.335 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.297 7.173 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.059 8.075 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.347 6.726 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.218 8.481 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.496 7.849 -3.755 1.00 0.00 H new ATOM 845 N ASP A 60 -0.228 11.540 -2.157 1.00 0.00 N ATOM 846 CA ASP A 60 -0.560 12.911 -1.782 1.00 0.00 C ATOM 847 C ASP A 60 -1.579 13.506 -2.748 1.00 0.00 C ATOM 848 O ASP A 60 -2.402 14.337 -2.363 1.00 0.00 O ATOM 849 CB ASP A 60 0.703 13.775 -1.757 1.00 0.00 C ATOM 850 CG ASP A 60 1.291 13.898 -0.364 1.00 0.00 C ATOM 851 OD1 ASP A 60 1.053 12.992 0.462 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.988 14.900 -0.102 1.00 0.00 O ATOM 0 H ASP A 60 0.711 11.422 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.999 12.893 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.448 13.345 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.468 14.769 -2.138 1.00 0.00 H new ATOM 857 N GLU A 61 -1.519 13.076 -4.004 1.00 0.00 N ATOM 858 CA GLU A 61 -2.436 13.567 -5.026 1.00 0.00 C ATOM 859 C GLU A 61 -3.529 12.541 -5.315 1.00 0.00 C ATOM 860 O GLU A 61 -3.353 11.348 -5.068 1.00 0.00 O ATOM 861 CB GLU A 61 -1.674 13.893 -6.312 1.00 0.00 C ATOM 862 CG GLU A 61 -0.958 15.233 -6.273 1.00 0.00 C ATOM 863 CD GLU A 61 -1.541 16.235 -7.252 1.00 0.00 C ATOM 864 OE1 GLU A 61 -1.388 16.028 -8.473 1.00 0.00 O ATOM 865 OE2 GLU A 61 -2.150 17.226 -6.795 1.00 0.00 O ATOM 0 H GLU A 61 -0.844 12.388 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.906 14.476 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.944 13.106 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.372 13.888 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.014 15.642 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.098 15.083 -6.498 1.00 0.00 H new ATOM 872 N PRO A 62 -4.679 12.994 -5.845 1.00 0.00 N ATOM 873 CA PRO A 62 -5.802 12.109 -6.167 1.00 0.00 C ATOM 874 C PRO A 62 -5.498 11.201 -7.355 1.00 0.00 C ATOM 875 O PRO A 62 -5.861 11.506 -8.491 1.00 0.00 O ATOM 876 CB PRO A 62 -6.934 13.078 -6.511 1.00 0.00 C ATOM 877 CG PRO A 62 -6.244 14.317 -6.968 1.00 0.00 C ATOM 878 CD PRO A 62 -4.972 14.402 -6.171 1.00 0.00 C ATOM 0 HA PRO A 62 -6.038 11.435 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.579 12.673 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.566 13.273 -5.644 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.033 14.274 -8.036 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.868 15.195 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.166 14.857 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.101 15.004 -5.272 1.00 0.00 H new ATOM 886 N GLU A 63 -4.827 10.086 -7.084 1.00 0.00 N ATOM 887 CA GLU A 63 -4.471 9.135 -8.131 1.00 0.00 C ATOM 888 C GLU A 63 -4.561 7.700 -7.616 1.00 0.00 C ATOM 889 O GLU A 63 -3.824 6.823 -8.065 1.00 0.00 O ATOM 890 CB GLU A 63 -3.059 9.420 -8.647 1.00 0.00 C ATOM 891 CG GLU A 63 -3.008 9.755 -10.128 1.00 0.00 C ATOM 892 CD GLU A 63 -2.055 10.894 -10.436 1.00 0.00 C ATOM 893 OE1 GLU A 63 -2.300 12.020 -9.954 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.063 10.659 -11.159 1.00 0.00 O ATOM 0 H GLU A 63 -4.519 9.819 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.179 9.251 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.635 10.249 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.430 8.550 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.703 8.870 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.008 10.020 -10.471 1.00 0.00 H new ATOM 901 N GLY A 64 -5.466 7.471 -6.671 1.00 0.00 N ATOM 902 CA GLY A 64 -5.633 6.142 -6.110 1.00 0.00 C ATOM 903 C GLY A 64 -6.962 5.517 -6.481 1.00 0.00 C ATOM 904 O GLY A 64 -7.907 6.219 -6.845 1.00 0.00 O ATOM 0 H GLY A 64 -6.087 8.181 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.824 5.500 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.552 6.197 -5.024 1.00 0.00 H new ATOM 908 N LYS A 65 -7.037 4.193 -6.389 1.00 0.00 N ATOM 909 CA LYS A 65 -8.262 3.470 -6.717 1.00 0.00 C ATOM 910 C LYS A 65 -8.780 2.702 -5.505 1.00 0.00 C ATOM 911 O LYS A 65 -9.359 1.625 -5.643 1.00 0.00 O ATOM 912 CB LYS A 65 -8.013 2.506 -7.878 1.00 0.00 C ATOM 913 CG LYS A 65 -8.152 3.153 -9.246 1.00 0.00 C ATOM 914 CD LYS A 65 -7.404 2.368 -10.312 1.00 0.00 C ATOM 915 CE LYS A 65 -5.898 2.493 -10.141 1.00 0.00 C ATOM 916 NZ LYS A 65 -5.182 2.415 -11.443 1.00 0.00 N ATOM 0 H LYS A 65 -6.264 3.598 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.017 4.198 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.011 2.087 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.714 1.674 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.207 3.218 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.769 4.173 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.691 1.318 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.690 2.729 -11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.665 3.441 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.541 1.701 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.158 2.504 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.383 1.500 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.504 3.186 -12.063 1.00 0.00 H new ATOM 930 N ASN A 66 -8.566 3.262 -4.319 1.00 0.00 N ATOM 931 CA ASN A 66 -9.013 2.629 -3.084 1.00 0.00 C ATOM 932 C ASN A 66 -9.110 3.647 -1.953 1.00 0.00 C ATOM 933 O ASN A 66 -8.781 4.821 -2.130 1.00 0.00 O ATOM 934 CB ASN A 66 -8.055 1.502 -2.690 1.00 0.00 C ATOM 935 CG ASN A 66 -8.453 0.169 -3.293 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.613 -0.047 -3.641 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.487 -0.734 -3.419 1.00 0.00 N ATOM 0 H ASN A 66 -8.086 4.152 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.005 2.212 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.046 1.757 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.029 1.413 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.694 -1.650 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.538 -0.512 -3.117 1.00 0.00 H new ATOM 944 N ASN A 67 -9.562 3.191 -0.790 1.00 0.00 N ATOM 945 CA ASN A 67 -9.702 4.061 0.371 1.00 0.00 C ATOM 946 C ASN A 67 -9.166 3.382 1.627 1.00 0.00 C ATOM 947 O ASN A 67 -9.700 3.565 2.721 1.00 0.00 O ATOM 948 CB ASN A 67 -11.169 4.445 0.572 1.00 0.00 C ATOM 949 CG ASN A 67 -12.064 3.234 0.752 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.636 2.097 0.554 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.314 3.474 1.130 1.00 0.00 N ATOM 0 H ASN A 67 -9.838 2.223 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.118 4.964 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.256 5.091 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.512 5.022 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.963 2.699 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.625 4.433 1.283 1.00 0.00 H new ATOM 958 N GLY A 68 -8.106 2.597 1.462 1.00 0.00 N ATOM 959 CA GLY A 68 -7.515 1.902 2.589 1.00 0.00 C ATOM 960 C GLY A 68 -8.153 0.547 2.841 1.00 0.00 C ATOM 961 O GLY A 68 -7.982 -0.035 3.912 1.00 0.00 O ATOM 0 H GLY A 68 -7.646 2.430 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.448 1.769 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.614 2.518 3.483 1.00 0.00 H new ATOM 965 N SER A 69 -8.888 0.044 1.853 1.00 0.00 N ATOM 966 CA SER A 69 -9.551 -1.249 1.977 1.00 0.00 C ATOM 967 C SER A 69 -9.900 -1.814 0.605 1.00 0.00 C ATOM 968 O SER A 69 -10.243 -1.072 -0.315 1.00 0.00 O ATOM 969 CB SER A 69 -10.818 -1.117 2.824 1.00 0.00 C ATOM 970 OG SER A 69 -11.658 -2.249 2.667 1.00 0.00 O ATOM 0 H SER A 69 -9.039 0.512 0.959 1.00 0.00 H new ATOM 0 HA SER A 69 -8.863 -1.936 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.547 -1.004 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.359 -0.216 2.536 1.00 0.00 H new ATOM 0 HG SER A 69 -11.117 -3.065 2.704 1.00 0.00 H new ATOM 976 N VAL A 70 -9.810 -3.135 0.474 1.00 0.00 N ATOM 977 CA VAL A 70 -10.116 -3.800 -0.788 1.00 0.00 C ATOM 978 C VAL A 70 -11.201 -4.855 -0.602 1.00 0.00 C ATOM 979 O VAL A 70 -10.944 -5.937 -0.075 1.00 0.00 O ATOM 980 CB VAL A 70 -8.865 -4.467 -1.390 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.155 -4.979 -2.792 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.695 -3.496 -1.400 1.00 0.00 C ATOM 0 H VAL A 70 -9.528 -3.765 1.225 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.473 -3.031 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.594 -5.319 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.260 -5.447 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.961 -5.711 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.452 -4.146 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.820 -3.985 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.952 -2.622 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.473 -3.184 -0.380 1.00 0.00 H new ATOM 992 N GLY A 71 -12.413 -4.532 -1.039 1.00 0.00 N ATOM 993 CA GLY A 71 -13.519 -5.463 -0.912 1.00 0.00 C ATOM 994 C GLY A 71 -13.927 -5.686 0.531 1.00 0.00 C ATOM 995 O GLY A 71 -14.476 -4.792 1.174 1.00 0.00 O ATOM 0 H GLY A 71 -12.650 -3.643 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.374 -5.086 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.240 -6.417 -1.359 1.00 0.00 H new ATOM 999 N ARG A 72 -13.659 -6.884 1.041 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.000 -7.223 2.417 1.00 0.00 C ATOM 1001 C ARG A 72 -12.750 -7.295 3.288 1.00 0.00 C ATOM 1002 O ARG A 72 -12.700 -8.051 4.259 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.746 -8.558 2.465 1.00 0.00 C ATOM 1004 CG ARG A 72 -13.966 -9.714 1.861 1.00 0.00 C ATOM 1005 CD ARG A 72 -14.721 -10.361 0.711 1.00 0.00 C ATOM 1006 NE ARG A 72 -15.476 -11.535 1.144 1.00 0.00 N ATOM 1007 CZ ARG A 72 -16.012 -12.422 0.308 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -15.880 -12.272 -1.004 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -16.682 -13.461 0.787 1.00 0.00 N ATOM 0 H ARG A 72 -13.207 -7.636 0.521 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.647 -6.437 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.984 -8.794 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.693 -8.454 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.000 -9.355 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -13.766 -10.460 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.403 -9.634 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.016 -10.650 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.600 -11.684 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.366 -11.474 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.293 -12.955 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.786 -13.580 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.093 -14.141 0.148 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.741 -6.505 2.934 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.491 -6.480 3.684 1.00 0.00 C ATOM 1025 C VAL A 73 -10.066 -5.049 3.994 1.00 0.00 C ATOM 1026 O VAL A 73 -10.048 -4.191 3.111 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.357 -7.184 2.915 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.131 -7.345 3.798 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.827 -8.532 2.388 1.00 0.00 C ATOM 0 H VAL A 73 -11.765 -5.874 2.133 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.672 -7.014 4.617 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.081 -6.563 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.341 -7.844 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.783 -6.363 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.388 -7.943 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.013 -9.015 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.133 -9.163 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.672 -8.385 1.716 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.725 -4.799 5.254 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.300 -3.470 5.681 1.00 0.00 C ATOM 1041 C GLN A 74 -7.816 -3.459 6.031 1.00 0.00 C ATOM 1042 O GLN A 74 -7.320 -4.364 6.702 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.124 -3.011 6.886 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.897 -1.556 7.261 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.675 -0.599 6.380 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.844 -0.832 6.071 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -10.029 0.487 5.971 1.00 0.00 N ATOM 0 H GLN A 74 -9.734 -5.498 5.997 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.464 -2.780 4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.182 -3.161 6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.881 -3.640 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.186 -1.403 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.834 -1.328 7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.060 0.640 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.502 1.168 5.377 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.113 -2.429 5.573 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.685 -2.298 5.837 1.00 0.00 C ATOM 1058 C TYR A 75 -5.390 -1.001 6.584 1.00 0.00 C ATOM 1059 O TYR A 75 -4.791 -1.014 7.659 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.896 -2.337 4.527 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.198 -3.546 3.672 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.307 -3.570 2.835 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.372 -4.664 3.698 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.586 -4.674 2.052 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.644 -5.771 2.918 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.752 -5.771 2.096 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.025 -6.872 1.317 1.00 0.00 O ATOM 0 H TYR A 75 -7.510 -1.672 5.016 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.377 -3.136 6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.114 -1.435 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.830 -2.321 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.962 -2.712 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.503 -4.667 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.453 -4.677 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.993 -6.632 2.951 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.286 -6.580 0.419 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.817 0.116 6.005 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.602 1.422 6.614 1.00 0.00 C ATOM 1079 C PHE A 76 -6.767 2.358 6.310 1.00 0.00 C ATOM 1080 O PHE A 76 -7.731 1.972 5.648 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.294 2.035 6.110 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.240 2.193 4.617 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.990 1.101 3.801 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.436 3.433 4.030 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.938 1.243 2.428 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.386 3.580 2.657 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.136 2.484 1.854 1.00 0.00 C ATOM 0 H PHE A 76 -6.314 0.142 5.115 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.538 1.287 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.157 3.011 6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.462 1.409 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.834 0.128 4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.630 4.294 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.743 0.384 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.542 4.551 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.095 2.597 0.781 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.675 3.592 6.797 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.723 4.581 6.577 1.00 0.00 C ATOM 1099 C LYS A 77 -7.182 5.789 5.819 1.00 0.00 C ATOM 1100 O LYS A 77 -6.165 6.368 6.200 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.320 5.028 7.913 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.339 4.053 8.479 1.00 0.00 C ATOM 1103 CD LYS A 77 -10.481 3.814 7.507 1.00 0.00 C ATOM 1104 CE LYS A 77 -11.653 3.120 8.182 1.00 0.00 C ATOM 1105 NZ LYS A 77 -12.743 2.803 7.219 1.00 0.00 N ATOM 0 H LYS A 77 -5.885 3.930 7.347 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.504 4.117 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.515 5.160 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.794 6.001 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.850 3.106 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.734 4.442 9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.811 4.766 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.129 3.207 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.307 2.200 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.044 3.757 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.522 2.331 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.092 3.683 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.378 2.174 6.476 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.869 6.162 4.745 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.458 7.301 3.932 1.00 0.00 C ATOM 1121 C CYS A 78 -8.650 7.898 3.191 1.00 0.00 C ATOM 1122 O CYS A 78 -9.791 7.483 3.393 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.380 6.879 2.931 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.935 5.651 1.725 1.00 0.00 S ATOM 0 H CYS A 78 -8.713 5.692 4.417 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.048 8.061 4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.028 7.762 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.528 6.476 3.479 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.247 4.558 1.871 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.377 8.875 2.332 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.427 9.529 1.560 1.00 0.00 C ATOM 1132 C ALA A 79 -9.783 8.715 0.319 1.00 0.00 C ATOM 1133 O ALA A 79 -9.017 7.848 -0.105 1.00 0.00 O ATOM 1134 CB ALA A 79 -8.995 10.934 1.169 1.00 0.00 C ATOM 0 H ALA A 79 -7.438 9.231 2.153 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.318 9.596 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.788 11.411 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.798 11.518 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.089 10.881 0.565 1.00 0.00 H new ATOM 1140 N PRO A 80 -10.953 8.984 -0.283 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.407 8.271 -1.482 1.00 0.00 C ATOM 1142 C PRO A 80 -10.576 8.621 -2.712 1.00 0.00 C ATOM 1143 O PRO A 80 -10.215 9.780 -2.920 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.850 8.750 -1.657 1.00 0.00 C ATOM 1145 CG PRO A 80 -12.890 10.083 -0.993 1.00 0.00 C ATOM 1146 CD PRO A 80 -11.926 10.003 0.157 1.00 0.00 C ATOM 0 HA PRO A 80 -11.314 7.190 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.117 8.825 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.555 8.058 -1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.604 10.873 -1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.896 10.314 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.445 10.963 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.425 9.710 1.080 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.274 7.612 -3.523 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.485 7.814 -4.732 1.00 0.00 C ATOM 1156 C LYS A 81 -8.103 8.362 -4.395 1.00 0.00 C ATOM 1157 O LYS A 81 -7.578 9.227 -5.097 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.209 8.767 -5.685 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.480 8.185 -6.280 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.199 7.442 -7.576 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.347 7.586 -8.561 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.038 6.951 -9.872 1.00 0.00 N ATOM 0 H LYS A 81 -10.564 6.647 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.361 6.848 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.455 9.684 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.532 9.042 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.941 7.506 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.196 8.986 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.283 7.825 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.032 6.386 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.245 7.132 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.565 8.643 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.846 7.071 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.196 7.401 -10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.855 5.937 -9.732 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.518 7.855 -3.314 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.197 8.294 -2.884 1.00 0.00 C ATOM 1178 C TYR A 82 -5.318 7.102 -2.521 1.00 0.00 C ATOM 1179 O TYR A 82 -4.160 7.023 -2.934 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.315 9.238 -1.685 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.408 10.697 -2.069 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.270 11.422 -2.400 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -7.634 11.351 -2.099 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.351 12.757 -2.750 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -7.722 12.685 -2.450 1.00 0.00 C ATOM 1186 CZ TYR A 82 -6.578 13.382 -2.774 1.00 0.00 C ATOM 1187 OH TYR A 82 -6.662 14.711 -3.122 1.00 0.00 O ATOM 0 H TYR A 82 -7.939 7.140 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.732 8.827 -3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.197 8.967 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.451 9.096 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.306 10.935 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.532 10.808 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.457 13.307 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.682 13.179 -2.470 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.598 14.999 -3.091 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.874 6.176 -1.748 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.127 5.000 -1.343 1.00 0.00 C ATOM 1199 C GLY A 83 -4.931 4.016 -2.480 1.00 0.00 C ATOM 1200 O GLY A 83 -5.780 3.901 -3.365 1.00 0.00 O ATOM 0 H GLY A 83 -6.830 6.219 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.154 5.306 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.650 4.505 -0.525 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.809 3.305 -2.457 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.503 2.326 -3.494 1.00 0.00 C ATOM 1206 C ILE A 84 -2.479 1.307 -3.000 1.00 0.00 C ATOM 1207 O ILE A 84 -1.712 1.580 -2.078 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.967 3.008 -4.769 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.755 1.977 -5.880 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.671 3.750 -4.473 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.761 2.576 -7.270 1.00 0.00 C ATOM 0 H ILE A 84 -3.096 3.388 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.434 1.812 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.707 3.732 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.805 1.469 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.537 1.220 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.307 4.225 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.853 4.511 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.924 3.046 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.605 1.788 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.720 3.060 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.962 3.312 -7.352 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.475 0.132 -3.621 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.546 -0.928 -3.246 1.00 0.00 C ATOM 1225 C PHE A 85 -0.582 -1.237 -4.386 1.00 0.00 C ATOM 1226 O PHE A 85 -0.938 -1.131 -5.560 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.313 -2.193 -2.855 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.023 -2.081 -1.536 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.222 -1.394 -1.435 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.490 -2.663 -0.396 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -4.877 -1.289 -0.222 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.140 -2.562 0.819 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.336 -1.874 0.907 1.00 0.00 C ATOM 0 H PHE A 85 -3.105 -0.110 -4.386 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.968 -0.582 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.042 -2.421 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.618 -3.032 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.650 -0.935 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.556 -3.202 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.811 -0.750 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.714 -3.020 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.846 -1.794 1.856 1.00 0.00 H new ATOM 1243 N ALA A 86 0.640 -1.620 -4.031 1.00 0.00 N ATOM 1244 CA ALA A 86 1.657 -1.946 -5.024 1.00 0.00 C ATOM 1245 C ALA A 86 2.689 -2.916 -4.454 1.00 0.00 C ATOM 1246 O ALA A 86 2.864 -3.005 -3.239 1.00 0.00 O ATOM 1247 CB ALA A 86 2.337 -0.678 -5.518 1.00 0.00 C ATOM 0 H ALA A 86 0.950 -1.712 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 86 1.166 -2.433 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.094 -0.936 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.595 -0.020 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.810 -0.168 -4.679 1.00 0.00 H new ATOM 1253 N PRO A 87 3.389 -3.660 -5.328 1.00 0.00 N ATOM 1254 CA PRO A 87 4.406 -4.629 -4.905 1.00 0.00 C ATOM 1255 C PRO A 87 5.531 -3.975 -4.107 1.00 0.00 C ATOM 1256 O PRO A 87 6.254 -3.124 -4.620 1.00 0.00 O ATOM 1257 CB PRO A 87 4.946 -5.194 -6.223 1.00 0.00 C ATOM 1258 CG PRO A 87 3.888 -4.902 -7.233 1.00 0.00 C ATOM 1259 CD PRO A 87 3.243 -3.620 -6.792 1.00 0.00 C ATOM 0 HA PRO A 87 3.988 -5.389 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.891 -4.725 -6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.133 -6.265 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.317 -4.801 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.159 -5.711 -7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.739 -2.750 -7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.196 -3.571 -7.092 1.00 0.00 H new ATOM 1267 N LEU A 88 5.667 -4.380 -2.845 1.00 0.00 N ATOM 1268 CA LEU A 88 6.705 -3.835 -1.977 1.00 0.00 C ATOM 1269 C LEU A 88 8.049 -3.870 -2.687 1.00 0.00 C ATOM 1270 O LEU A 88 8.797 -2.892 -2.682 1.00 0.00 O ATOM 1271 CB LEU A 88 6.780 -4.626 -0.669 1.00 0.00 C ATOM 1272 CG LEU A 88 7.503 -3.916 0.476 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.536 -3.033 1.251 1.00 0.00 C ATOM 1274 CD2 LEU A 88 8.159 -4.930 1.401 1.00 0.00 C ATOM 0 H LEU A 88 5.072 -5.082 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 88 6.454 -2.801 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.766 -4.863 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.282 -5.574 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 88 8.282 -3.282 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.068 -2.536 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.111 -2.284 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.735 -3.646 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.669 -4.408 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.397 -5.589 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.882 -5.521 0.839 1.00 0.00 H new ATOM 1286 N SER A 89 8.331 -5.002 -3.319 1.00 0.00 N ATOM 1287 CA SER A 89 9.569 -5.171 -4.064 1.00 0.00 C ATOM 1288 C SER A 89 9.687 -4.080 -5.119 1.00 0.00 C ATOM 1289 O SER A 89 10.788 -3.725 -5.543 1.00 0.00 O ATOM 1290 CB SER A 89 9.612 -6.550 -4.726 1.00 0.00 C ATOM 1291 OG SER A 89 10.923 -7.088 -4.698 1.00 0.00 O ATOM 0 H SER A 89 7.718 -5.817 -3.330 1.00 0.00 H new ATOM 0 HA SER A 89 10.408 -5.094 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.927 -7.225 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.269 -6.473 -5.758 1.00 0.00 H new ATOM 0 HG SER A 89 10.924 -7.970 -5.125 1.00 0.00 H new ATOM 1297 N LYS A 90 8.540 -3.536 -5.528 1.00 0.00 N ATOM 1298 CA LYS A 90 8.516 -2.470 -6.518 1.00 0.00 C ATOM 1299 C LYS A 90 8.512 -1.102 -5.839 1.00 0.00 C ATOM 1300 O LYS A 90 8.683 -0.074 -6.493 1.00 0.00 O ATOM 1301 CB LYS A 90 7.290 -2.607 -7.424 1.00 0.00 C ATOM 1302 CG LYS A 90 7.439 -3.683 -8.488 1.00 0.00 C ATOM 1303 CD LYS A 90 6.916 -3.211 -9.836 1.00 0.00 C ATOM 1304 CE LYS A 90 6.479 -4.380 -10.706 1.00 0.00 C ATOM 1305 NZ LYS A 90 5.011 -4.365 -10.960 1.00 0.00 N ATOM 0 H LYS A 90 7.621 -3.818 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 90 9.416 -2.554 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.418 -2.833 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.099 -1.650 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.489 -3.961 -8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.898 -4.578 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.075 -2.535 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.692 -2.644 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.012 -4.345 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.754 -5.316 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.641 -5.336 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.540 -3.781 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.826 -3.968 -11.903 1.00 0.00 H new ATOM 1319 N ILE A 91 8.318 -1.095 -4.519 1.00 0.00 N ATOM 1320 CA ILE A 91 8.295 0.148 -3.759 1.00 0.00 C ATOM 1321 C ILE A 91 9.585 0.326 -2.962 1.00 0.00 C ATOM 1322 O ILE A 91 10.033 -0.591 -2.276 1.00 0.00 O ATOM 1323 CB ILE A 91 7.096 0.197 -2.792 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.797 -0.118 -3.536 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.009 1.560 -2.121 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.778 -0.847 -2.688 1.00 0.00 C ATOM 0 H ILE A 91 8.175 -1.935 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 91 8.200 0.959 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 91 7.243 -0.558 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.359 0.813 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.027 -0.723 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.157 1.577 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.924 1.748 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.883 2.332 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.882 -1.038 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.198 -1.794 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.519 -0.235 -1.824 1.00 0.00 H new ATOM 1338 N SER A 92 10.175 1.513 -3.058 1.00 0.00 N ATOM 1339 CA SER A 92 11.412 1.811 -2.346 1.00 0.00 C ATOM 1340 C SER A 92 11.293 3.121 -1.573 1.00 0.00 C ATOM 1341 O SER A 92 10.256 3.783 -1.610 1.00 0.00 O ATOM 1342 CB SER A 92 12.584 1.889 -3.326 1.00 0.00 C ATOM 1343 OG SER A 92 12.146 2.289 -4.614 1.00 0.00 O ATOM 0 H SER A 92 9.816 2.284 -3.622 1.00 0.00 H new ATOM 0 HA SER A 92 11.595 1.005 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.326 2.596 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.074 0.917 -3.390 1.00 0.00 H new ATOM 0 HG SER A 92 12.914 2.333 -5.222 1.00 0.00 H new ATOM 1349 N LYS A 93 12.361 3.488 -0.873 1.00 0.00 N ATOM 1350 CA LYS A 93 12.377 4.718 -0.090 1.00 0.00 C ATOM 1351 C LYS A 93 12.541 5.936 -0.994 1.00 0.00 C ATOM 1352 O LYS A 93 13.081 5.836 -2.096 1.00 0.00 O ATOM 1353 CB LYS A 93 13.507 4.679 0.940 1.00 0.00 C ATOM 1354 CG LYS A 93 13.154 5.356 2.256 1.00 0.00 C ATOM 1355 CD LYS A 93 14.311 6.189 2.784 1.00 0.00 C ATOM 1356 CE LYS A 93 14.010 6.752 4.163 1.00 0.00 C ATOM 1357 NZ LYS A 93 14.683 5.973 5.241 1.00 0.00 N ATOM 0 H LYS A 93 13.227 2.951 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 93 11.423 4.799 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.774 3.640 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.389 5.161 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.281 5.993 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.882 4.601 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.211 5.576 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.517 7.007 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.335 7.791 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.933 6.747 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.310 6.267 6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.502 4.958 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.707 6.150 5.209 1.00 0.00 H new ATOM 1371 N LEU A 94 12.072 7.086 -0.520 1.00 0.00 N ATOM 1372 CA LEU A 94 12.169 8.323 -1.285 1.00 0.00 C ATOM 1373 C LEU A 94 13.572 8.913 -1.193 1.00 0.00 C ATOM 1374 O LEU A 94 14.277 8.710 -0.204 1.00 0.00 O ATOM 1375 CB LEU A 94 11.142 9.339 -0.783 1.00 0.00 C ATOM 1376 CG LEU A 94 10.776 10.438 -1.783 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.717 9.942 -2.756 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.291 11.682 -1.053 1.00 0.00 C ATOM 0 H LEU A 94 11.621 7.186 0.390 1.00 0.00 H new ATOM 0 HA LEU A 94 11.961 8.091 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.233 8.806 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.529 9.807 0.122 1.00 0.00 H new ATOM 0 HG LEU A 94 11.669 10.699 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.469 10.736 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.100 9.080 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.822 9.654 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.035 12.453 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.410 11.436 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.080 12.049 -0.396 1.00 0.00 H new ATOM 1390 N LYS A 95 13.973 9.641 -2.230 1.00 0.00 N ATOM 1391 CA LYS A 95 15.292 10.260 -2.266 1.00 0.00 C ATOM 1392 C LYS A 95 15.247 11.594 -3.002 1.00 0.00 C ATOM 1393 O LYS A 95 14.776 11.673 -4.137 1.00 0.00 O ATOM 1394 CB LYS A 95 16.300 9.322 -2.938 1.00 0.00 C ATOM 1395 CG LYS A 95 17.367 8.799 -1.990 1.00 0.00 C ATOM 1396 CD LYS A 95 18.644 9.618 -2.084 1.00 0.00 C ATOM 1397 CE LYS A 95 19.647 9.208 -1.018 1.00 0.00 C ATOM 1398 NZ LYS A 95 20.258 7.882 -1.309 1.00 0.00 N ATOM 0 H LYS A 95 13.402 9.817 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 95 15.609 10.445 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.765 8.477 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.783 9.850 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.991 8.825 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.584 7.757 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.088 9.490 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.408 10.677 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.432 9.962 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.152 9.174 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 20.936 7.640 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.513 7.158 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.753 7.921 -2.223 1.00 0.00 H new ATOM 1412 N ASP A 96 15.739 12.643 -2.348 1.00 0.00 N ATOM 1413 CA ASP A 96 15.756 13.976 -2.941 1.00 0.00 C ATOM 1414 C ASP A 96 14.337 14.481 -3.186 1.00 0.00 C ATOM 1415 O ASP A 96 13.491 13.755 -3.707 1.00 0.00 O ATOM 1416 CB ASP A 96 16.542 13.967 -4.253 1.00 0.00 C ATOM 1417 CG ASP A 96 17.943 13.415 -4.084 1.00 0.00 C ATOM 1418 OD1 ASP A 96 18.809 14.144 -3.556 1.00 0.00 O ATOM 1419 OD2 ASP A 96 18.176 12.254 -4.482 1.00 0.00 O ATOM 0 H ASP A 96 16.131 12.595 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 96 16.246 14.651 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.006 13.370 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.599 14.982 -4.646 1.00 0.00 H new ATOM 1424 N SER A 97 14.085 15.729 -2.807 1.00 0.00 N ATOM 1425 CA SER A 97 12.770 16.331 -2.985 1.00 0.00 C ATOM 1426 C SER A 97 12.468 16.553 -4.463 1.00 0.00 C ATOM 1427 O SER A 97 11.577 15.919 -5.027 1.00 0.00 O ATOM 1428 CB SER A 97 12.687 17.659 -2.231 1.00 0.00 C ATOM 1429 OG SER A 97 13.157 17.521 -0.901 1.00 0.00 O ATOM 0 H SER A 97 14.775 16.343 -2.374 1.00 0.00 H new ATOM 0 HA SER A 97 12.027 15.644 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.276 18.414 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.655 18.011 -2.221 1.00 0.00 H new ATOM 0 HG SER A 97 13.095 18.384 -0.441 1.00 0.00 H new ATOM 1435 N GLY A 98 13.216 17.459 -5.086 1.00 0.00 N ATOM 1436 CA GLY A 98 13.013 17.748 -6.493 1.00 0.00 C ATOM 1437 C GLY A 98 12.403 19.120 -6.721 1.00 0.00 C ATOM 1438 O GLY A 98 11.184 19.278 -6.651 1.00 0.00 O ATOM 0 H GLY A 98 13.959 17.998 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.968 17.687 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.363 16.988 -6.927 1.00 0.00 H new ATOM 1442 N PRO A 99 13.232 20.142 -6.999 1.00 0.00 N ATOM 1443 CA PRO A 99 12.750 21.508 -7.236 1.00 0.00 C ATOM 1444 C PRO A 99 11.631 21.557 -8.272 1.00 0.00 C ATOM 1445 O PRO A 99 11.217 20.526 -8.801 1.00 0.00 O ATOM 1446 CB PRO A 99 13.991 22.236 -7.754 1.00 0.00 C ATOM 1447 CG PRO A 99 15.140 21.486 -7.174 1.00 0.00 C ATOM 1448 CD PRO A 99 14.701 20.048 -7.102 1.00 0.00 C ATOM 0 HA PRO A 99 12.323 21.952 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.026 22.233 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.999 23.279 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.029 21.592 -7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.395 21.866 -6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.007 19.490 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.132 19.539 -6.240 1.00 0.00 H new ATOM 1456 N SER A 100 11.146 22.762 -8.554 1.00 0.00 N ATOM 1457 CA SER A 100 10.074 22.947 -9.525 1.00 0.00 C ATOM 1458 C SER A 100 10.501 23.905 -10.633 1.00 0.00 C ATOM 1459 O SER A 100 9.704 24.713 -11.109 1.00 0.00 O ATOM 1460 CB SER A 100 8.817 23.476 -8.833 1.00 0.00 C ATOM 1461 OG SER A 100 8.735 23.010 -7.497 1.00 0.00 O ATOM 0 H SER A 100 11.479 23.625 -8.124 1.00 0.00 H new ATOM 0 HA SER A 100 9.853 21.978 -9.974 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.825 24.566 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.933 23.160 -9.387 1.00 0.00 H new ATOM 0 HG SER A 100 7.924 23.364 -7.076 1.00 0.00 H new ATOM 1467 N SER A 101 11.763 23.809 -11.040 1.00 0.00 N ATOM 1468 CA SER A 101 12.294 24.668 -12.092 1.00 0.00 C ATOM 1469 C SER A 101 12.477 23.887 -13.389 1.00 0.00 C ATOM 1470 O SER A 101 13.514 23.260 -13.607 1.00 0.00 O ATOM 1471 CB SER A 101 13.628 25.278 -11.657 1.00 0.00 C ATOM 1472 OG SER A 101 13.803 26.570 -12.212 1.00 0.00 O ATOM 0 H SER A 101 12.436 23.145 -10.657 1.00 0.00 H new ATOM 0 HA SER A 101 11.577 25.470 -12.269 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.667 25.338 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.447 24.630 -11.970 1.00 0.00 H new ATOM 0 HG SER A 101 14.662 26.939 -11.918 1.00 0.00 H new ATOM 1478 N GLY A 102 11.463 23.930 -14.248 1.00 0.00 N ATOM 1479 CA GLY A 102 11.532 23.222 -15.512 1.00 0.00 C ATOM 1480 C GLY A 102 11.027 21.797 -15.408 1.00 0.00 C ATOM 1481 O GLY A 102 11.854 20.888 -15.178 1.00 0.00 O ATOM 1482 OXT GLY A 102 9.805 21.588 -15.555 1.00 0.00 O ATOM 0 H GLY A 102 10.595 24.443 -14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.945 23.758 -16.258 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.564 23.214 -15.864 1.00 0.00 H new TER 1486 GLY A 102