USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1072 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.7) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.829 K(o=2,f=-4!) USER MOD Set 2.2: A 57 THR OG1 : rot 60:sc= 1.14 USER MOD Set 3.1: A 7 ASN : amide:sc= -1.27 X(o=-0.067,f=0.11) USER MOD Set 3.2: A 9 SER OG : rot 150:sc= 1.21 USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.0204 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 5 MET CE :methyl 148:sc= -0.161 (180deg=-0.76) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 11 ASN : amide:sc= -2.89 K(o=-2.9,f=-5.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0.45 (180deg=0.301) USER MOD Single : A 24 SER OG : rot -54:sc= 0.225 USER MOD Single : A 28 SER OG : rot -9:sc= 0.401 USER MOD Single : A 34 TYR OH : rot 35:sc= -2.17! USER MOD Single : A 35 ASN : amide:sc= 0.177 K(o=0.18,f=-6.5!) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0284 (180deg=-0.204) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -135:sc= -2.52! (180deg=-4.64!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.14) USER MOD Single : A 67 ASN : amide:sc= -0.909 X(o=-0.91,f=-0.78) USER MOD Single : A 69 HIS : no HE2:sc= -1.92 X(o=-1.9,f=-1.6) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.144 F(o=-2.7,f=-0.14) USER MOD Single : A 72 ASN : amide:sc= 0.589 X(o=0.59,f=0.46) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -0.018 (180deg=-0.264) USER MOD Single : A 78 MET CE :methyl -171:sc= -1.4 (180deg=-1.83) USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.463) USER MOD Single : A 80 HIS :FLIP no HE2:sc= -2.86! C(o=-3.6!,f=-2.9!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.937 K(o=-0.94,f=-1.6) USER MOD Single : A 95 HIS : no HD1:sc= -0.0725 X(o=-0.072,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.0377 (180deg=-0.245) USER MOD Single : A 100 SER OG : rot 79:sc= 0.907 USER MOD Single : A 104 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.9!) USER MOD Single : A 107 LYS NZ :NH3+ 146:sc= -2.77! (180deg=-4.56!) USER MOD Single : A 109 MET CE :methyl -163:sc= -0.075 (180deg=-0.453) USER MOD Single : A 110 LYS NZ :NH3+ 173:sc= 1.02 (180deg=1.01) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -128:sc= -0.175 (180deg=-3.25!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 174:sc= 0.527 (180deg=0.472) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0377) USER MOD Single : A 126 ASN : amide:sc= -0.186 K(o=-0.19,f=-6.8!) USER MOD Single : A 130 ASN : amide:sc= -0.526 K(o=-0.53,f=-3.8!) USER MOD Single : A 131 MET CE :methyl 162:sc= -0.0828 (180deg=-0.511) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.742 -16.767 -1.920 1.00 0.00 N ATOM 2 CA SER A 1 -6.192 -16.154 -0.653 1.00 0.00 C ATOM 3 C SER A 1 -6.698 -14.730 -0.885 1.00 0.00 C ATOM 4 O SER A 1 -5.908 -13.784 -0.929 1.00 0.00 O ATOM 5 CB SER A 1 -5.038 -16.144 0.350 1.00 0.00 C ATOM 6 OG SER A 1 -4.527 -17.453 0.545 1.00 0.00 O ATOM 0 H1 SER A 1 -4.948 -17.412 -1.731 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.527 -17.300 -2.346 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.434 -16.021 -2.576 1.00 0.00 H new ATOM 0 HA SER A 1 -7.016 -16.746 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.244 -15.489 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.381 -15.737 1.301 1.00 0.00 H new ATOM 0 HG SER A 1 -3.789 -17.423 1.189 1.00 0.00 H new ATOM 14 N PRO A 2 -8.023 -14.557 -1.040 1.00 0.00 N ATOM 15 CA PRO A 2 -8.624 -13.239 -1.289 1.00 0.00 C ATOM 16 C PRO A 2 -8.463 -12.293 -0.100 1.00 0.00 C ATOM 17 O PRO A 2 -8.524 -11.076 -0.258 1.00 0.00 O ATOM 18 CB PRO A 2 -10.105 -13.553 -1.536 1.00 0.00 C ATOM 19 CG PRO A 2 -10.335 -14.879 -0.897 1.00 0.00 C ATOM 20 CD PRO A 2 -9.036 -15.627 -0.995 1.00 0.00 C ATOM 0 HA PRO A 2 -8.145 -12.727 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.748 -12.789 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.328 -13.586 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.638 -14.762 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.134 -15.421 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.887 -16.285 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.999 -16.252 -1.887 1.00 0.00 H new ATOM 28 N GLU A 3 -8.250 -12.869 1.081 1.00 0.00 N ATOM 29 CA GLU A 3 -8.016 -12.098 2.305 1.00 0.00 C ATOM 30 C GLU A 3 -6.948 -11.019 2.109 1.00 0.00 C ATOM 31 O GLU A 3 -7.249 -9.827 2.164 1.00 0.00 O ATOM 32 CB GLU A 3 -7.593 -13.015 3.462 1.00 0.00 C ATOM 33 CG GLU A 3 -8.661 -13.998 3.916 1.00 0.00 C ATOM 34 CD GLU A 3 -8.948 -15.073 2.891 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.100 -15.968 2.708 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.019 -15.019 2.259 1.00 0.00 O ATOM 0 H GLU A 3 -8.234 -13.880 1.219 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.961 -11.612 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.708 -13.575 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.303 -12.396 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.343 -14.467 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.581 -13.454 4.131 1.00 0.00 H new ATOM 43 N ILE A 4 -5.704 -11.438 1.879 1.00 0.00 N ATOM 44 CA ILE A 4 -4.600 -10.503 1.759 1.00 0.00 C ATOM 45 C ILE A 4 -4.621 -9.778 0.407 1.00 0.00 C ATOM 46 O ILE A 4 -3.971 -8.748 0.226 1.00 0.00 O ATOM 47 CB ILE A 4 -3.244 -11.228 1.959 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.087 -10.228 2.038 1.00 0.00 C ATOM 49 CG2 ILE A 4 -3.003 -12.236 0.843 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.178 -9.286 3.220 1.00 0.00 C ATOM 0 H ILE A 4 -5.442 -12.418 1.773 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.717 -9.755 2.543 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.290 -11.765 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.147 -10.777 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.061 -9.643 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.046 -12.733 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.802 -12.977 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.988 -11.720 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.325 -8.607 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.101 -8.710 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.173 -9.862 4.145 1.00 0.00 H new ATOM 62 N MET A 5 -5.389 -10.311 -0.531 1.00 0.00 N ATOM 63 CA MET A 5 -5.506 -9.725 -1.855 1.00 0.00 C ATOM 64 C MET A 5 -6.411 -8.500 -1.828 1.00 0.00 C ATOM 65 O MET A 5 -6.122 -7.487 -2.465 1.00 0.00 O ATOM 66 CB MET A 5 -6.050 -10.767 -2.830 1.00 0.00 C ATOM 67 CG MET A 5 -5.012 -11.771 -3.300 1.00 0.00 C ATOM 68 SD MET A 5 -5.718 -13.064 -4.344 1.00 0.00 S ATOM 69 CE MET A 5 -6.457 -12.082 -5.648 1.00 0.00 C ATOM 0 H MET A 5 -5.945 -11.156 -0.396 1.00 0.00 H new ATOM 0 HA MET A 5 -4.518 -9.405 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.870 -11.303 -2.353 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.466 -10.256 -3.698 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.231 -11.249 -3.853 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.536 -12.229 -2.433 1.00 0.00 H new ATOM 0 HE1 MET A 5 -6.420 -12.636 -6.586 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.495 -11.864 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.906 -11.148 -5.756 1.00 0.00 H new ATOM 79 N LYS A 6 -7.497 -8.594 -1.076 1.00 0.00 N ATOM 80 CA LYS A 6 -8.456 -7.507 -0.976 1.00 0.00 C ATOM 81 C LYS A 6 -7.947 -6.453 0.005 1.00 0.00 C ATOM 82 O LYS A 6 -8.094 -6.593 1.220 1.00 0.00 O ATOM 83 CB LYS A 6 -9.819 -8.055 -0.540 1.00 0.00 C ATOM 84 CG LYS A 6 -10.952 -7.047 -0.608 1.00 0.00 C ATOM 85 CD LYS A 6 -12.283 -7.698 -0.264 1.00 0.00 C ATOM 86 CE LYS A 6 -13.428 -6.700 -0.316 1.00 0.00 C ATOM 87 NZ LYS A 6 -14.727 -7.323 0.054 1.00 0.00 N ATOM 0 H LYS A 6 -7.736 -9.417 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.574 -7.035 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.071 -8.909 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.738 -8.424 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.755 -6.227 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.001 -6.617 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.480 -8.514 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.227 -8.136 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.218 -5.871 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.499 -6.282 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.481 -6.608 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.941 -8.097 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.668 -7.699 1.022 1.00 0.00 H new ATOM 101 N ASN A 7 -7.330 -5.413 -0.541 1.00 0.00 N ATOM 102 CA ASN A 7 -6.713 -4.357 0.257 1.00 0.00 C ATOM 103 C ASN A 7 -7.748 -3.625 1.104 1.00 0.00 C ATOM 104 O ASN A 7 -8.719 -3.077 0.575 1.00 0.00 O ATOM 105 CB ASN A 7 -5.994 -3.367 -0.670 1.00 0.00 C ATOM 106 CG ASN A 7 -5.317 -2.231 0.077 1.00 0.00 C ATOM 107 OD1 ASN A 7 -4.919 -2.379 1.233 1.00 0.00 O ATOM 108 ND2 ASN A 7 -5.168 -1.094 -0.585 1.00 0.00 N ATOM 0 H ASN A 7 -7.242 -5.276 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.992 -4.815 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.248 -3.904 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.714 -2.951 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.709 -0.300 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.512 -1.012 -1.542 1.00 0.00 H new ATOM 115 N LEU A 8 -7.527 -3.606 2.418 1.00 0.00 N ATOM 116 CA LEU A 8 -8.457 -2.968 3.347 1.00 0.00 C ATOM 117 C LEU A 8 -8.617 -1.484 3.038 1.00 0.00 C ATOM 118 O LEU A 8 -9.712 -0.939 3.153 1.00 0.00 O ATOM 119 CB LEU A 8 -8.007 -3.152 4.806 1.00 0.00 C ATOM 120 CG LEU A 8 -8.104 -4.582 5.353 1.00 0.00 C ATOM 121 CD1 LEU A 8 -6.798 -5.338 5.153 1.00 0.00 C ATOM 122 CD2 LEU A 8 -8.487 -4.555 6.826 1.00 0.00 C ATOM 0 H LEU A 8 -6.711 -4.026 2.863 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.423 -3.457 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.973 -2.818 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.608 -2.498 5.438 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.880 -5.107 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.898 -6.348 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.566 -5.388 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.994 -4.820 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.553 -5.575 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.730 -4.008 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.452 -4.062 6.942 1.00 0.00 H new ATOM 134 N SER A 9 -7.532 -0.837 2.623 1.00 0.00 N ATOM 135 CA SER A 9 -7.572 0.582 2.280 1.00 0.00 C ATOM 136 C SER A 9 -8.551 0.835 1.137 1.00 0.00 C ATOM 137 O SER A 9 -9.226 1.866 1.099 1.00 0.00 O ATOM 138 CB SER A 9 -6.180 1.070 1.891 1.00 0.00 C ATOM 139 OG SER A 9 -5.230 0.749 2.891 1.00 0.00 O ATOM 0 H SER A 9 -6.615 -1.271 2.516 1.00 0.00 H new ATOM 0 HA SER A 9 -7.912 1.135 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.884 0.617 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.199 2.149 1.736 1.00 0.00 H new ATOM 0 HG SER A 9 -4.353 0.610 2.476 1.00 0.00 H new ATOM 145 N ASN A 10 -8.635 -0.122 0.219 1.00 0.00 N ATOM 146 CA ASN A 10 -9.544 -0.022 -0.915 1.00 0.00 C ATOM 147 C ASN A 10 -10.976 -0.278 -0.460 1.00 0.00 C ATOM 148 O ASN A 10 -11.922 0.303 -0.991 1.00 0.00 O ATOM 149 CB ASN A 10 -9.148 -1.022 -2.005 1.00 0.00 C ATOM 150 CG ASN A 10 -10.092 -1.003 -3.195 1.00 0.00 C ATOM 151 OD1 ASN A 10 -11.066 -1.753 -3.240 1.00 0.00 O ATOM 152 ND2 ASN A 10 -9.809 -0.151 -4.169 1.00 0.00 N ATOM 0 H ASN A 10 -8.082 -0.979 0.239 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.480 0.985 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.137 -0.799 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.127 -2.026 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.408 -0.101 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.992 0.455 -4.095 1.00 0.00 H new ATOM 159 N ASN A 11 -11.125 -1.141 0.538 1.00 0.00 N ATOM 160 CA ASN A 11 -12.438 -1.439 1.098 1.00 0.00 C ATOM 161 C ASN A 11 -12.976 -0.217 1.821 1.00 0.00 C ATOM 162 O ASN A 11 -14.145 0.135 1.668 1.00 0.00 O ATOM 163 CB ASN A 11 -12.375 -2.637 2.052 1.00 0.00 C ATOM 164 CG ASN A 11 -11.840 -3.883 1.377 1.00 0.00 C ATOM 165 OD1 ASN A 11 -11.945 -4.037 0.160 1.00 0.00 O ATOM 166 ND2 ASN A 11 -11.279 -4.793 2.160 1.00 0.00 N ATOM 0 H ASN A 11 -10.354 -1.646 0.976 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.110 -1.699 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.742 -2.388 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.372 -2.839 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.916 -5.657 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.210 -4.629 3.164 1.00 0.00 H new ATOM 173 N PHE A 12 -12.118 0.417 2.615 1.00 0.00 N ATOM 174 CA PHE A 12 -12.433 1.721 3.195 1.00 0.00 C ATOM 175 C PHE A 12 -12.759 2.747 2.103 1.00 0.00 C ATOM 176 O PHE A 12 -13.926 2.918 1.746 1.00 0.00 O ATOM 177 CB PHE A 12 -11.289 2.236 4.072 1.00 0.00 C ATOM 178 CG PHE A 12 -11.153 1.513 5.380 1.00 0.00 C ATOM 179 CD1 PHE A 12 -12.130 1.632 6.355 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.046 0.722 5.639 1.00 0.00 C ATOM 181 CE1 PHE A 12 -12.006 0.973 7.563 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.916 0.059 6.844 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.898 0.185 7.808 1.00 0.00 C ATOM 0 H PHE A 12 -11.201 0.051 2.872 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.313 1.588 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.353 2.148 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.444 3.297 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.998 2.247 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.275 0.622 4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.775 1.074 8.315 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.049 -0.556 7.032 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.800 -0.332 8.751 1.00 0.00 H new ATOM 193 N GLY A 13 -11.732 3.411 1.556 1.00 0.00 N ATOM 194 CA GLY A 13 -11.955 4.420 0.531 1.00 0.00 C ATOM 195 C GLY A 13 -12.982 5.470 0.927 1.00 0.00 C ATOM 196 O GLY A 13 -13.777 5.900 0.093 1.00 0.00 O ATOM 0 H GLY A 13 -10.754 3.265 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.010 4.914 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.283 3.929 -0.385 1.00 0.00 H new ATOM 200 N LYS A 14 -12.976 5.869 2.201 1.00 0.00 N ATOM 201 CA LYS A 14 -13.884 6.901 2.688 1.00 0.00 C ATOM 202 C LYS A 14 -13.633 8.217 1.961 1.00 0.00 C ATOM 203 O LYS A 14 -14.519 8.763 1.308 1.00 0.00 O ATOM 204 CB LYS A 14 -13.694 7.104 4.193 1.00 0.00 C ATOM 205 CG LYS A 14 -14.558 8.215 4.769 1.00 0.00 C ATOM 206 CD LYS A 14 -14.159 8.551 6.193 1.00 0.00 C ATOM 207 CE LYS A 14 -15.023 9.665 6.757 1.00 0.00 C ATOM 208 NZ LYS A 14 -14.577 10.084 8.109 1.00 0.00 N ATOM 0 H LYS A 14 -12.350 5.490 2.912 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.907 6.577 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.923 6.172 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.646 7.329 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.470 9.105 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.605 7.912 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.252 7.663 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.111 8.851 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.994 10.522 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.060 9.331 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.193 10.846 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.628 9.273 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.596 10.427 8.060 1.00 0.00 H new ATOM 222 N ALA A 15 -12.411 8.714 2.078 1.00 0.00 N ATOM 223 CA ALA A 15 -12.030 9.962 1.446 1.00 0.00 C ATOM 224 C ALA A 15 -10.590 9.886 0.976 1.00 0.00 C ATOM 225 O ALA A 15 -9.658 10.020 1.772 1.00 0.00 O ATOM 226 CB ALA A 15 -12.210 11.126 2.408 1.00 0.00 C ATOM 0 H ALA A 15 -11.664 8.267 2.609 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.676 10.127 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.919 12.054 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.255 11.189 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.585 10.971 3.288 1.00 0.00 H new ATOM 232 N MET A 16 -10.407 9.647 -0.312 1.00 0.00 N ATOM 233 CA MET A 16 -9.072 9.513 -0.870 1.00 0.00 C ATOM 234 C MET A 16 -8.393 10.875 -0.981 1.00 0.00 C ATOM 235 O MET A 16 -7.165 10.971 -0.999 1.00 0.00 O ATOM 236 CB MET A 16 -9.119 8.842 -2.243 1.00 0.00 C ATOM 237 CG MET A 16 -7.740 8.577 -2.830 1.00 0.00 C ATOM 238 SD MET A 16 -6.778 7.425 -1.833 1.00 0.00 S ATOM 239 CE MET A 16 -5.225 7.421 -2.726 1.00 0.00 C ATOM 0 H MET A 16 -11.163 9.542 -0.989 1.00 0.00 H new ATOM 0 HA MET A 16 -8.491 8.885 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.659 7.899 -2.161 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.683 9.473 -2.929 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.848 8.178 -3.838 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.198 9.519 -2.916 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.522 6.752 -2.230 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.393 7.079 -3.747 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.814 8.430 -2.745 1.00 0.00 H new ATOM 249 N ASP A 17 -9.209 11.927 -1.017 1.00 0.00 N ATOM 250 CA ASP A 17 -8.725 13.297 -1.212 1.00 0.00 C ATOM 251 C ASP A 17 -7.648 13.681 -0.210 1.00 0.00 C ATOM 252 O ASP A 17 -6.722 14.431 -0.536 1.00 0.00 O ATOM 253 CB ASP A 17 -9.886 14.290 -1.126 1.00 0.00 C ATOM 254 CG ASP A 17 -9.436 15.720 -1.339 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.134 16.091 -2.495 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.372 16.481 -0.353 1.00 0.00 O ATOM 0 H ASP A 17 -10.221 11.857 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.279 13.336 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.637 14.033 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.364 14.203 -0.150 1.00 0.00 H new ATOM 261 N GLN A 18 -7.723 13.129 0.987 1.00 0.00 N ATOM 262 CA GLN A 18 -6.795 13.528 2.028 1.00 0.00 C ATOM 263 C GLN A 18 -5.523 12.702 1.963 1.00 0.00 C ATOM 264 O GLN A 18 -4.474 13.130 2.441 1.00 0.00 O ATOM 265 CB GLN A 18 -7.437 13.463 3.414 1.00 0.00 C ATOM 266 CG GLN A 18 -8.420 14.599 3.657 1.00 0.00 C ATOM 267 CD GLN A 18 -8.534 14.972 5.123 1.00 0.00 C ATOM 268 OE1 GLN A 18 -8.379 14.129 6.009 1.00 0.00 O ATOM 269 NE2 GLN A 18 -8.787 16.242 5.387 1.00 0.00 N ATOM 0 H GLN A 18 -8.402 12.418 1.259 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.527 14.570 1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.954 12.510 3.527 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.656 13.494 4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.106 15.474 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.402 14.310 3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.909 16.907 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.861 16.557 6.354 1.00 0.00 H new ATOM 278 N CYS A 19 -5.600 11.534 1.339 1.00 0.00 N ATOM 279 CA CYS A 19 -4.395 10.778 1.040 1.00 0.00 C ATOM 280 C CYS A 19 -3.680 11.436 -0.137 1.00 0.00 C ATOM 281 O CYS A 19 -2.457 11.527 -0.160 1.00 0.00 O ATOM 282 CB CYS A 19 -4.702 9.305 0.725 1.00 0.00 C ATOM 283 SG CYS A 19 -3.258 8.351 0.149 1.00 0.00 S ATOM 0 H CYS A 19 -6.470 11.096 1.035 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.754 10.786 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.105 8.830 1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.480 9.262 -0.037 1.00 0.00 H new ATOM 288 N LYS A 20 -4.467 11.956 -1.081 1.00 0.00 N ATOM 289 CA LYS A 20 -3.943 12.602 -2.280 1.00 0.00 C ATOM 290 C LYS A 20 -3.041 13.771 -1.909 1.00 0.00 C ATOM 291 O LYS A 20 -1.907 13.866 -2.380 1.00 0.00 O ATOM 292 CB LYS A 20 -5.114 13.092 -3.140 1.00 0.00 C ATOM 293 CG LYS A 20 -4.707 13.847 -4.394 1.00 0.00 C ATOM 294 CD LYS A 20 -3.906 12.974 -5.341 1.00 0.00 C ATOM 295 CE LYS A 20 -3.605 13.694 -6.649 1.00 0.00 C ATOM 296 NZ LYS A 20 -2.750 14.896 -6.448 1.00 0.00 N ATOM 0 H LYS A 20 -5.486 11.940 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.350 11.882 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.719 12.233 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.748 13.738 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.598 14.213 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.116 14.720 -4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.971 12.680 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.459 12.058 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.107 13.007 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.541 13.992 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.738 15.463 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.132 15.468 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.781 14.598 -6.216 1.00 0.00 H new ATOM 310 N ASP A 21 -3.557 14.645 -1.053 1.00 0.00 N ATOM 311 CA ASP A 21 -2.820 15.834 -0.622 1.00 0.00 C ATOM 312 C ASP A 21 -1.673 15.482 0.324 1.00 0.00 C ATOM 313 O ASP A 21 -0.544 15.931 0.128 1.00 0.00 O ATOM 314 CB ASP A 21 -3.766 16.831 0.062 1.00 0.00 C ATOM 315 CG ASP A 21 -3.032 18.000 0.696 1.00 0.00 C ATOM 316 OD1 ASP A 21 -2.595 17.878 1.858 1.00 0.00 O ATOM 317 OD2 ASP A 21 -2.900 19.055 0.036 1.00 0.00 O ATOM 0 H ASP A 21 -4.486 14.555 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.392 16.290 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.479 17.210 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.342 16.311 0.828 1.00 0.00 H new ATOM 322 N GLU A 22 -1.953 14.659 1.328 1.00 0.00 N ATOM 323 CA GLU A 22 -0.973 14.365 2.369 1.00 0.00 C ATOM 324 C GLU A 22 0.191 13.521 1.851 1.00 0.00 C ATOM 325 O GLU A 22 1.317 13.648 2.334 1.00 0.00 O ATOM 326 CB GLU A 22 -1.649 13.680 3.558 1.00 0.00 C ATOM 327 CG GLU A 22 -1.894 14.611 4.724 1.00 0.00 C ATOM 328 CD GLU A 22 -0.604 15.164 5.284 1.00 0.00 C ATOM 329 OE1 GLU A 22 0.089 14.424 6.015 1.00 0.00 O ATOM 330 OE2 GLU A 22 -0.267 16.328 4.981 1.00 0.00 O ATOM 0 H GLU A 22 -2.848 14.184 1.444 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.554 15.316 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.600 13.258 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.028 12.848 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.533 15.434 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.431 14.077 5.508 1.00 0.00 H new ATOM 337 N LEU A 23 -0.083 12.655 0.886 1.00 0.00 N ATOM 338 CA LEU A 23 0.952 11.809 0.296 1.00 0.00 C ATOM 339 C LEU A 23 1.563 12.520 -0.896 1.00 0.00 C ATOM 340 O LEU A 23 2.689 12.230 -1.300 1.00 0.00 O ATOM 341 CB LEU A 23 0.371 10.461 -0.166 1.00 0.00 C ATOM 342 CG LEU A 23 0.081 9.414 0.915 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.346 8.683 1.320 1.00 0.00 C ATOM 344 CD2 LEU A 23 -0.582 10.043 2.119 1.00 0.00 C ATOM 0 H LEU A 23 -1.014 12.517 0.492 1.00 0.00 H new ATOM 0 HA LEU A 23 1.711 11.618 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.558 10.659 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.065 10.022 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.610 8.685 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.110 7.946 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.769 8.179 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.069 9.398 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.776 9.277 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.075 10.805 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.524 10.502 1.818 1.00 0.00 H new ATOM 356 N SER A 24 0.803 13.474 -1.432 1.00 0.00 N ATOM 357 CA SER A 24 1.186 14.208 -2.629 1.00 0.00 C ATOM 358 C SER A 24 1.316 13.252 -3.812 1.00 0.00 C ATOM 359 O SER A 24 2.328 13.244 -4.515 1.00 0.00 O ATOM 360 CB SER A 24 2.490 14.986 -2.401 1.00 0.00 C ATOM 361 OG SER A 24 2.787 15.833 -3.500 1.00 0.00 O ATOM 0 H SER A 24 -0.097 13.758 -1.045 1.00 0.00 H new ATOM 0 HA SER A 24 0.405 14.934 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.405 15.582 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.311 14.286 -2.247 1.00 0.00 H new ATOM 0 HG SER A 24 2.792 15.307 -4.327 1.00 0.00 H new ATOM 367 N LEU A 25 0.291 12.428 -4.022 1.00 0.00 N ATOM 368 CA LEU A 25 0.295 11.520 -5.165 1.00 0.00 C ATOM 369 C LEU A 25 0.303 12.316 -6.460 1.00 0.00 C ATOM 370 O LEU A 25 -0.546 13.185 -6.658 1.00 0.00 O ATOM 371 CB LEU A 25 -0.923 10.580 -5.192 1.00 0.00 C ATOM 372 CG LEU A 25 -1.037 9.566 -4.047 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.322 9.048 -3.639 1.00 0.00 C ATOM 374 CD2 LEU A 25 -1.743 10.171 -2.857 1.00 0.00 C ATOM 0 H LEU A 25 -0.537 12.370 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 25 1.194 10.911 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.825 11.192 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.907 10.030 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.629 8.726 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.209 8.331 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.796 8.559 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.943 9.879 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.811 9.431 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.183 11.036 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.746 10.483 -3.149 1.00 0.00 H new ATOM 386 N PRO A 26 1.265 12.056 -7.350 1.00 0.00 N ATOM 387 CA PRO A 26 1.217 12.587 -8.707 1.00 0.00 C ATOM 388 C PRO A 26 0.022 11.994 -9.440 1.00 0.00 C ATOM 389 O PRO A 26 -0.393 10.868 -9.133 1.00 0.00 O ATOM 390 CB PRO A 26 2.537 12.126 -9.338 1.00 0.00 C ATOM 391 CG PRO A 26 3.402 11.736 -8.186 1.00 0.00 C ATOM 392 CD PRO A 26 2.465 11.237 -7.127 1.00 0.00 C ATOM 0 HA PRO A 26 1.106 13.671 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.379 11.286 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.995 12.924 -9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.114 10.963 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.982 12.586 -7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.256 10.173 -7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.872 11.378 -6.126 1.00 0.00 H new ATOM 400 N ASP A 27 -0.534 12.737 -10.388 1.00 0.00 N ATOM 401 CA ASP A 27 -1.768 12.329 -11.064 1.00 0.00 C ATOM 402 C ASP A 27 -1.641 10.935 -11.678 1.00 0.00 C ATOM 403 O ASP A 27 -2.589 10.148 -11.663 1.00 0.00 O ATOM 404 CB ASP A 27 -2.144 13.334 -12.160 1.00 0.00 C ATOM 405 CG ASP A 27 -1.149 13.361 -13.309 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.292 12.551 -14.253 1.00 0.00 O ATOM 407 OD2 ASP A 27 -0.207 14.183 -13.264 1.00 0.00 O ATOM 0 H ASP A 27 -0.153 13.627 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.553 12.304 -10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.132 13.087 -12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.213 14.330 -11.723 1.00 0.00 H new ATOM 412 N SER A 28 -0.448 10.612 -12.141 1.00 0.00 N ATOM 413 CA SER A 28 -0.224 9.374 -12.858 1.00 0.00 C ATOM 414 C SER A 28 -0.119 8.197 -11.896 1.00 0.00 C ATOM 415 O SER A 28 -0.496 7.075 -12.231 1.00 0.00 O ATOM 416 CB SER A 28 1.035 9.514 -13.705 1.00 0.00 C ATOM 417 OG SER A 28 0.988 10.726 -14.444 1.00 0.00 O ATOM 0 H SER A 28 0.383 11.193 -12.032 1.00 0.00 H new ATOM 0 HA SER A 28 -1.073 9.174 -13.512 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.917 9.502 -13.065 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.123 8.667 -14.385 1.00 0.00 H new ATOM 0 HG SER A 28 0.096 11.124 -14.363 1.00 0.00 H new ATOM 423 N VAL A 29 0.362 8.455 -10.685 1.00 0.00 N ATOM 424 CA VAL A 29 0.519 7.402 -9.702 1.00 0.00 C ATOM 425 C VAL A 29 -0.815 7.029 -9.074 1.00 0.00 C ATOM 426 O VAL A 29 -1.150 5.851 -8.998 1.00 0.00 O ATOM 427 CB VAL A 29 1.505 7.779 -8.598 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.739 6.577 -7.704 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.810 8.280 -9.198 1.00 0.00 C ATOM 0 H VAL A 29 0.647 9.381 -10.366 1.00 0.00 H new ATOM 0 HA VAL A 29 0.920 6.544 -10.241 1.00 0.00 H new ATOM 0 HB VAL A 29 1.088 8.587 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.442 6.842 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.794 6.265 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.149 5.758 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.501 8.544 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.251 7.497 -9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.614 9.159 -9.813 1.00 0.00 H new ATOM 439 N VAL A 30 -1.577 8.026 -8.616 1.00 0.00 N ATOM 440 CA VAL A 30 -2.897 7.755 -8.060 1.00 0.00 C ATOM 441 C VAL A 30 -3.785 7.098 -9.125 1.00 0.00 C ATOM 442 O VAL A 30 -4.688 6.320 -8.810 1.00 0.00 O ATOM 443 CB VAL A 30 -3.557 9.005 -7.463 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.972 9.986 -8.514 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.743 8.621 -6.590 1.00 0.00 C ATOM 0 H VAL A 30 -1.306 9.009 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.772 7.062 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.807 9.497 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.434 10.853 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.097 10.305 -9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.688 9.516 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.197 9.521 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.479 8.087 -7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.404 7.979 -5.777 1.00 0.00 H new ATOM 455 N ALA A 31 -3.487 7.395 -10.393 1.00 0.00 N ATOM 456 CA ALA A 31 -4.144 6.744 -11.524 1.00 0.00 C ATOM 457 C ALA A 31 -3.745 5.272 -11.639 1.00 0.00 C ATOM 458 O ALA A 31 -4.603 4.396 -11.726 1.00 0.00 O ATOM 459 CB ALA A 31 -3.776 7.459 -12.807 1.00 0.00 C ATOM 0 H ALA A 31 -2.789 8.088 -10.661 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.220 6.794 -11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.267 6.971 -13.649 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.100 8.498 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.696 7.423 -12.947 1.00 0.00 H new ATOM 465 N ASP A 32 -2.435 5.006 -11.650 1.00 0.00 N ATOM 466 CA ASP A 32 -1.927 3.634 -11.753 1.00 0.00 C ATOM 467 C ASP A 32 -2.346 2.825 -10.541 1.00 0.00 C ATOM 468 O ASP A 32 -2.558 1.619 -10.624 1.00 0.00 O ATOM 469 CB ASP A 32 -0.400 3.609 -11.886 1.00 0.00 C ATOM 470 CG ASP A 32 0.068 3.836 -13.308 1.00 0.00 C ATOM 471 OD1 ASP A 32 -0.516 3.228 -14.232 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.027 4.611 -13.511 1.00 0.00 O ATOM 0 H ASP A 32 -1.709 5.720 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.356 3.191 -12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.029 4.375 -11.240 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.025 2.648 -11.534 1.00 0.00 H new ATOM 477 N LEU A 33 -2.423 3.504 -9.413 1.00 0.00 N ATOM 478 CA LEU A 33 -3.000 2.949 -8.200 1.00 0.00 C ATOM 479 C LEU A 33 -4.380 2.356 -8.480 1.00 0.00 C ATOM 480 O LEU A 33 -4.643 1.189 -8.185 1.00 0.00 O ATOM 481 CB LEU A 33 -3.119 4.064 -7.165 1.00 0.00 C ATOM 482 CG LEU A 33 -3.448 3.626 -5.748 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.283 2.843 -5.173 1.00 0.00 C ATOM 484 CD2 LEU A 33 -3.759 4.837 -4.892 1.00 0.00 C ATOM 0 H LEU A 33 -2.086 4.461 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.357 2.152 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.179 4.615 -7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.889 4.760 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.327 2.982 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.521 2.530 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.096 1.964 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.393 3.472 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.994 4.515 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.894 5.500 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.613 5.369 -5.311 1.00 0.00 H new ATOM 496 N TYR A 34 -5.261 3.179 -9.037 1.00 0.00 N ATOM 497 CA TYR A 34 -6.604 2.738 -9.431 1.00 0.00 C ATOM 498 C TYR A 34 -6.654 1.749 -10.622 1.00 0.00 C ATOM 499 O TYR A 34 -7.741 1.522 -11.154 1.00 0.00 O ATOM 500 CB TYR A 34 -7.483 3.951 -9.732 1.00 0.00 C ATOM 501 CG TYR A 34 -7.849 4.738 -8.498 1.00 0.00 C ATOM 502 CD1 TYR A 34 -8.260 4.086 -7.343 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.778 6.123 -8.478 1.00 0.00 C ATOM 504 CE1 TYR A 34 -8.591 4.788 -6.206 1.00 0.00 C ATOM 505 CE2 TYR A 34 -8.107 6.837 -7.341 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.514 6.161 -6.208 1.00 0.00 C ATOM 507 OH TYR A 34 -8.838 6.860 -5.071 1.00 0.00 O ATOM 0 H TYR A 34 -5.072 4.163 -9.229 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.982 2.179 -8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.962 4.605 -10.431 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.395 3.617 -10.227 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.321 3.008 -7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.461 6.652 -9.365 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.909 4.263 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.046 7.915 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.562 6.348 -4.282 1.00 0.00 H new ATOM 517 N ASN A 35 -5.520 1.166 -11.058 1.00 0.00 N ATOM 518 CA ASN A 35 -5.510 0.334 -12.259 1.00 0.00 C ATOM 519 C ASN A 35 -6.462 -0.845 -12.097 1.00 0.00 C ATOM 520 O ASN A 35 -6.350 -1.628 -11.151 1.00 0.00 O ATOM 521 CB ASN A 35 -4.096 -0.175 -12.554 1.00 0.00 C ATOM 522 CG ASN A 35 -3.941 -0.716 -13.968 1.00 0.00 C ATOM 523 OD1 ASN A 35 -4.896 -1.204 -14.579 1.00 0.00 O ATOM 524 ND2 ASN A 35 -2.735 -0.629 -14.505 1.00 0.00 N ATOM 0 H ASN A 35 -4.614 1.259 -10.598 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.843 0.946 -13.098 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.385 0.637 -12.402 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.842 -0.959 -11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.573 -0.971 -15.452 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.968 -0.220 -13.972 1.00 0.00 H new ATOM 531 N PHE A 36 -7.403 -0.950 -13.023 1.00 0.00 N ATOM 532 CA PHE A 36 -8.404 -2.003 -12.988 1.00 0.00 C ATOM 533 C PHE A 36 -7.783 -3.351 -13.348 1.00 0.00 C ATOM 534 O PHE A 36 -8.154 -4.384 -12.795 1.00 0.00 O ATOM 535 CB PHE A 36 -9.537 -1.656 -13.962 1.00 0.00 C ATOM 536 CG PHE A 36 -10.670 -2.644 -13.979 1.00 0.00 C ATOM 537 CD1 PHE A 36 -11.702 -2.550 -13.059 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.710 -3.657 -14.923 1.00 0.00 C ATOM 539 CE1 PHE A 36 -12.748 -3.451 -13.078 1.00 0.00 C ATOM 540 CE2 PHE A 36 -11.755 -4.560 -14.948 1.00 0.00 C ATOM 541 CZ PHE A 36 -12.775 -4.456 -14.023 1.00 0.00 C ATOM 0 H PHE A 36 -7.494 -0.312 -13.814 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.807 -2.080 -11.978 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.932 -0.674 -13.704 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.124 -1.579 -14.968 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.688 -1.763 -12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.914 -3.742 -15.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.545 -3.369 -12.353 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.774 -5.345 -15.689 1.00 0.00 H new ATOM 0 HZ PHE A 36 -13.593 -5.161 -14.039 1.00 0.00 H new ATOM 551 N TRP A 37 -6.836 -3.326 -14.275 1.00 0.00 N ATOM 552 CA TRP A 37 -6.165 -4.538 -14.718 1.00 0.00 C ATOM 553 C TRP A 37 -4.889 -4.784 -13.924 1.00 0.00 C ATOM 554 O TRP A 37 -3.859 -4.149 -14.168 1.00 0.00 O ATOM 555 CB TRP A 37 -5.851 -4.462 -16.215 1.00 0.00 C ATOM 556 CG TRP A 37 -7.074 -4.395 -17.080 1.00 0.00 C ATOM 557 CD1 TRP A 37 -7.723 -5.444 -17.665 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.797 -3.217 -17.457 1.00 0.00 C ATOM 559 NE1 TRP A 37 -8.803 -4.991 -18.380 1.00 0.00 N ATOM 560 CE2 TRP A 37 -8.870 -3.629 -18.267 1.00 0.00 C ATOM 561 CE3 TRP A 37 -7.641 -1.856 -17.187 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -9.781 -2.729 -18.809 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -8.547 -0.962 -17.725 1.00 0.00 C ATOM 564 CH2 TRP A 37 -9.606 -1.403 -18.527 1.00 0.00 C ATOM 0 H TRP A 37 -6.514 -2.475 -14.736 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.840 -5.375 -14.542 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.233 -3.584 -16.404 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.262 -5.334 -16.499 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.429 -6.480 -17.578 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.451 -5.575 -18.910 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.827 -1.508 -16.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.598 -3.066 -19.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -8.436 0.093 -17.524 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.299 -0.680 -18.931 1.00 0.00 H new ATOM 575 N LYS A 38 -4.956 -5.699 -12.968 1.00 0.00 N ATOM 576 CA LYS A 38 -3.776 -6.087 -12.210 1.00 0.00 C ATOM 577 C LYS A 38 -2.897 -7.003 -13.052 1.00 0.00 C ATOM 578 O LYS A 38 -2.926 -8.226 -12.906 1.00 0.00 O ATOM 579 CB LYS A 38 -4.163 -6.774 -10.900 1.00 0.00 C ATOM 580 CG LYS A 38 -4.979 -5.891 -9.969 1.00 0.00 C ATOM 581 CD LYS A 38 -5.309 -6.604 -8.667 1.00 0.00 C ATOM 582 CE LYS A 38 -6.202 -7.815 -8.894 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.517 -7.437 -9.474 1.00 0.00 N ATOM 0 H LYS A 38 -5.812 -6.185 -12.700 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.216 -5.186 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.734 -7.675 -11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.257 -7.092 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.424 -4.978 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.903 -5.593 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.385 -6.920 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.804 -5.910 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.700 -8.516 -9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.359 -8.332 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.170 -8.244 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.910 -6.631 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.393 -7.171 -10.472 1.00 0.00 H new ATOM 597 N ASP A 39 -2.156 -6.393 -13.967 1.00 0.00 N ATOM 598 CA ASP A 39 -1.292 -7.115 -14.915 1.00 0.00 C ATOM 599 C ASP A 39 -0.144 -7.935 -14.262 1.00 0.00 C ATOM 600 O ASP A 39 0.740 -8.408 -14.974 1.00 0.00 O ATOM 601 CB ASP A 39 -0.717 -6.105 -15.916 1.00 0.00 C ATOM 602 CG ASP A 39 -0.022 -6.757 -17.095 1.00 0.00 C ATOM 603 OD1 ASP A 39 -0.678 -7.533 -17.820 1.00 0.00 O ATOM 604 OD2 ASP A 39 1.173 -6.480 -17.317 1.00 0.00 O ATOM 0 H ASP A 39 -2.131 -5.380 -14.080 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.921 -7.857 -15.407 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.523 -5.470 -16.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.010 -5.455 -15.400 1.00 0.00 H new ATOM 609 N ASP A 40 -0.156 -8.138 -12.933 1.00 0.00 N ATOM 610 CA ASP A 40 0.959 -8.801 -12.245 1.00 0.00 C ATOM 611 C ASP A 40 2.275 -8.095 -12.578 1.00 0.00 C ATOM 612 O ASP A 40 3.301 -8.723 -12.848 1.00 0.00 O ATOM 613 CB ASP A 40 1.014 -10.286 -12.636 1.00 0.00 C ATOM 614 CG ASP A 40 1.987 -11.095 -11.795 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.380 -10.629 -10.708 1.00 0.00 O ATOM 616 OD2 ASP A 40 2.338 -12.225 -12.208 1.00 0.00 O ATOM 0 H ASP A 40 -0.920 -7.854 -12.320 1.00 0.00 H new ATOM 0 HA ASP A 40 0.803 -8.740 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.017 -10.717 -12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.297 -10.368 -13.685 1.00 0.00 H new ATOM 621 N TYR A 41 2.225 -6.772 -12.564 1.00 0.00 N ATOM 622 CA TYR A 41 3.377 -5.945 -12.894 1.00 0.00 C ATOM 623 C TYR A 41 4.245 -5.702 -11.664 1.00 0.00 C ATOM 624 O TYR A 41 3.897 -6.110 -10.556 1.00 0.00 O ATOM 625 CB TYR A 41 2.913 -4.610 -13.485 1.00 0.00 C ATOM 626 CG TYR A 41 1.785 -3.955 -12.712 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.029 -3.255 -11.536 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.473 -4.047 -13.161 1.00 0.00 C ATOM 629 CE1 TYR A 41 0.997 -2.664 -10.832 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.562 -3.460 -12.461 1.00 0.00 C ATOM 631 CZ TYR A 41 -0.297 -2.771 -11.299 1.00 0.00 C ATOM 632 OH TYR A 41 -1.327 -2.184 -10.602 1.00 0.00 O ATOM 0 H TYR A 41 1.387 -6.242 -12.324 1.00 0.00 H new ATOM 0 HA TYR A 41 3.977 -6.474 -13.634 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.761 -3.926 -13.521 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.590 -4.772 -14.513 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.041 -3.172 -11.167 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.260 -4.586 -14.072 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.202 -2.121 -9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.576 -3.541 -12.824 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.174 -2.352 -11.066 1.00 0.00 H new ATOM 642 N VAL A 42 5.377 -5.046 -11.867 1.00 0.00 N ATOM 643 CA VAL A 42 6.255 -4.687 -10.767 1.00 0.00 C ATOM 644 C VAL A 42 5.962 -3.262 -10.321 1.00 0.00 C ATOM 645 O VAL A 42 5.953 -2.340 -11.137 1.00 0.00 O ATOM 646 CB VAL A 42 7.747 -4.806 -11.159 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.648 -4.440 -9.987 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.061 -6.211 -11.655 1.00 0.00 C ATOM 0 H VAL A 42 5.709 -4.751 -12.785 1.00 0.00 H new ATOM 0 HA VAL A 42 6.065 -5.384 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 42 7.940 -4.103 -11.969 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.692 -4.532 -10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.447 -3.413 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.451 -5.113 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.115 -6.274 -11.926 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.845 -6.932 -10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.448 -6.434 -12.528 1.00 0.00 H new ATOM 658 N MET A 43 5.688 -3.094 -9.036 1.00 0.00 N ATOM 659 CA MET A 43 5.413 -1.778 -8.477 1.00 0.00 C ATOM 660 C MET A 43 6.674 -0.924 -8.494 1.00 0.00 C ATOM 661 O MET A 43 7.580 -1.115 -7.686 1.00 0.00 O ATOM 662 CB MET A 43 4.871 -1.912 -7.053 1.00 0.00 C ATOM 663 CG MET A 43 4.387 -0.603 -6.453 1.00 0.00 C ATOM 664 SD MET A 43 3.590 -0.839 -4.855 1.00 0.00 S ATOM 665 CE MET A 43 2.281 -1.983 -5.298 1.00 0.00 C ATOM 0 H MET A 43 5.650 -3.855 -8.358 1.00 0.00 H new ATOM 0 HA MET A 43 4.657 -1.286 -9.089 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.048 -2.626 -7.054 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.652 -2.326 -6.415 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.232 0.076 -6.339 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.686 -0.128 -7.140 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.347 -1.664 -4.836 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.163 -1.999 -6.381 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.537 -2.983 -4.947 1.00 0.00 H new ATOM 675 N THR A 44 6.733 0.000 -9.435 1.00 0.00 N ATOM 676 CA THR A 44 7.921 0.806 -9.639 1.00 0.00 C ATOM 677 C THR A 44 7.854 2.120 -8.869 1.00 0.00 C ATOM 678 O THR A 44 8.852 2.573 -8.304 1.00 0.00 O ATOM 679 CB THR A 44 8.131 1.102 -11.134 1.00 0.00 C ATOM 680 OG1 THR A 44 6.866 1.369 -11.759 1.00 0.00 O ATOM 681 CG2 THR A 44 8.826 -0.059 -11.835 1.00 0.00 C ATOM 0 H THR A 44 5.966 0.211 -10.074 1.00 0.00 H new ATOM 0 HA THR A 44 8.764 0.228 -9.261 1.00 0.00 H new ATOM 0 HB THR A 44 8.772 1.979 -11.221 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.005 1.559 -12.710 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.960 0.181 -12.890 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.799 -0.231 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.216 -0.958 -11.742 1.00 0.00 H new ATOM 689 N ASP A 45 6.676 2.727 -8.841 1.00 0.00 N ATOM 690 CA ASP A 45 6.516 4.026 -8.206 1.00 0.00 C ATOM 691 C ASP A 45 6.314 3.880 -6.719 1.00 0.00 C ATOM 692 O ASP A 45 5.513 3.070 -6.246 1.00 0.00 O ATOM 693 CB ASP A 45 5.361 4.813 -8.812 1.00 0.00 C ATOM 694 CG ASP A 45 5.495 6.291 -8.517 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.278 6.694 -7.358 1.00 0.00 O ATOM 696 OD2 ASP A 45 5.857 7.049 -9.440 1.00 0.00 O ATOM 0 H ASP A 45 5.823 2.344 -9.248 1.00 0.00 H new ATOM 0 HA ASP A 45 7.436 4.583 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.335 4.655 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.416 4.444 -8.413 1.00 0.00 H new ATOM 701 N ARG A 46 7.031 4.710 -5.996 1.00 0.00 N ATOM 702 CA ARG A 46 7.087 4.626 -4.558 1.00 0.00 C ATOM 703 C ARG A 46 5.801 5.157 -3.953 1.00 0.00 C ATOM 704 O ARG A 46 5.358 4.687 -2.905 1.00 0.00 O ATOM 705 CB ARG A 46 8.291 5.406 -4.027 1.00 0.00 C ATOM 706 CG ARG A 46 9.647 4.777 -4.338 1.00 0.00 C ATOM 707 CD ARG A 46 9.985 4.841 -5.820 1.00 0.00 C ATOM 708 NE ARG A 46 11.225 4.135 -6.131 1.00 0.00 N ATOM 709 CZ ARG A 46 12.173 4.609 -6.936 1.00 0.00 C ATOM 710 NH1 ARG A 46 12.034 5.791 -7.518 1.00 0.00 N ATOM 711 NH2 ARG A 46 13.270 3.897 -7.163 1.00 0.00 N ATOM 0 H ARG A 46 7.593 5.464 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 46 7.200 3.580 -4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.268 6.412 -4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.193 5.508 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.422 5.289 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.646 3.737 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.168 4.409 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.075 5.883 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 46 11.374 3.221 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.195 6.346 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.766 6.146 -8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.387 2.986 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.996 4.261 -7.780 1.00 0.00 H new ATOM 725 N LEU A 47 5.178 6.109 -4.643 1.00 0.00 N ATOM 726 CA LEU A 47 3.927 6.695 -4.182 1.00 0.00 C ATOM 727 C LEU A 47 2.806 5.666 -4.209 1.00 0.00 C ATOM 728 O LEU A 47 1.763 5.858 -3.586 1.00 0.00 O ATOM 729 CB LEU A 47 3.525 7.916 -5.026 1.00 0.00 C ATOM 730 CG LEU A 47 4.062 9.262 -4.547 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.670 9.496 -3.100 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.566 9.333 -4.735 1.00 0.00 C ATOM 0 H LEU A 47 5.522 6.490 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 47 4.088 7.026 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.865 7.754 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.437 7.970 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 47 3.618 10.055 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.058 10.459 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.584 9.493 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.086 8.704 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.931 10.300 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.042 8.538 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.807 9.212 -5.791 1.00 0.00 H new ATOM 744 N ALA A 48 3.031 4.561 -4.907 1.00 0.00 N ATOM 745 CA ALA A 48 2.028 3.528 -5.006 1.00 0.00 C ATOM 746 C ALA A 48 2.081 2.686 -3.748 1.00 0.00 C ATOM 747 O ALA A 48 1.083 2.535 -3.045 1.00 0.00 O ATOM 748 CB ALA A 48 2.254 2.695 -6.253 1.00 0.00 C ATOM 0 H ALA A 48 3.897 4.364 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 48 1.035 3.968 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.491 1.919 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.195 3.335 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.239 2.231 -6.207 1.00 0.00 H new ATOM 754 N GLY A 49 3.264 2.140 -3.489 1.00 0.00 N ATOM 755 CA GLY A 49 3.570 1.567 -2.185 1.00 0.00 C ATOM 756 C GLY A 49 3.038 2.374 -0.992 1.00 0.00 C ATOM 757 O GLY A 49 2.435 1.794 -0.090 1.00 0.00 O ATOM 0 H GLY A 49 4.026 2.082 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.156 0.560 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.652 1.472 -2.089 1.00 0.00 H new ATOM 761 N CYS A 50 3.241 3.701 -0.967 1.00 0.00 N ATOM 762 CA CYS A 50 2.789 4.508 0.159 1.00 0.00 C ATOM 763 C CYS A 50 1.260 4.516 0.226 1.00 0.00 C ATOM 764 O CYS A 50 0.665 4.330 1.291 1.00 0.00 O ATOM 765 CB CYS A 50 3.274 5.955 0.015 1.00 0.00 C ATOM 766 SG CYS A 50 5.040 6.193 -0.394 1.00 0.00 S ATOM 0 H CYS A 50 3.709 4.225 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 50 3.201 4.071 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.678 6.438 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.068 6.477 0.949 1.00 0.00 H new ATOM 771 N ALA A 51 0.636 4.696 -0.936 1.00 0.00 N ATOM 772 CA ALA A 51 -0.815 4.822 -1.031 1.00 0.00 C ATOM 773 C ALA A 51 -1.537 3.516 -0.719 1.00 0.00 C ATOM 774 O ALA A 51 -2.738 3.523 -0.444 1.00 0.00 O ATOM 775 CB ALA A 51 -1.208 5.334 -2.408 1.00 0.00 C ATOM 0 H ALA A 51 1.119 4.758 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.127 5.543 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.293 5.424 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.753 6.310 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.860 4.635 -3.169 1.00 0.00 H new ATOM 781 N ILE A 52 -0.813 2.400 -0.760 1.00 0.00 N ATOM 782 CA ILE A 52 -1.384 1.111 -0.381 1.00 0.00 C ATOM 783 C ILE A 52 -1.986 1.192 1.018 1.00 0.00 C ATOM 784 O ILE A 52 -3.046 0.620 1.290 1.00 0.00 O ATOM 785 CB ILE A 52 -0.334 -0.023 -0.417 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.182 -0.228 -1.841 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.923 -1.319 0.122 1.00 0.00 C ATOM 788 CD1 ILE A 52 1.241 -1.303 -1.953 1.00 0.00 C ATOM 0 H ILE A 52 0.164 2.362 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.160 0.878 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 52 0.502 0.266 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.656 -0.486 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.591 0.713 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.167 -2.104 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.246 -1.171 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.778 -1.611 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.560 -1.393 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.097 -1.037 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.830 -2.255 -1.616 1.00 0.00 H new ATOM 800 N ASN A 53 -1.320 1.928 1.896 1.00 0.00 N ATOM 801 CA ASN A 53 -1.806 2.110 3.251 1.00 0.00 C ATOM 802 C ASN A 53 -1.494 3.522 3.723 1.00 0.00 C ATOM 803 O ASN A 53 -0.590 3.742 4.526 1.00 0.00 O ATOM 804 CB ASN A 53 -1.192 1.076 4.202 1.00 0.00 C ATOM 805 CG ASN A 53 -1.910 1.003 5.540 1.00 0.00 C ATOM 806 OD1 ASN A 53 -2.506 1.979 6.008 1.00 0.00 O ATOM 807 ND2 ASN A 53 -1.854 -0.158 6.172 1.00 0.00 N ATOM 0 H ASN A 53 -0.443 2.407 1.692 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.886 1.963 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.216 0.095 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.144 1.322 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.312 -0.269 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.353 -0.942 5.755 1.00 0.00 H new ATOM 814 N CYS A 54 -2.211 4.483 3.174 1.00 0.00 N ATOM 815 CA CYS A 54 -2.064 5.866 3.589 1.00 0.00 C ATOM 816 C CYS A 54 -3.240 6.286 4.462 1.00 0.00 C ATOM 817 O CYS A 54 -3.054 6.860 5.529 1.00 0.00 O ATOM 818 CB CYS A 54 -1.956 6.769 2.366 1.00 0.00 C ATOM 819 SG CYS A 54 -3.348 6.621 1.203 1.00 0.00 S ATOM 0 H CYS A 54 -2.902 4.332 2.439 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.151 5.962 4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.884 7.805 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.031 6.538 1.839 1.00 0.00 H new ATOM 824 N LEU A 55 -4.450 5.944 4.024 1.00 0.00 N ATOM 825 CA LEU A 55 -5.669 6.348 4.719 1.00 0.00 C ATOM 826 C LEU A 55 -5.726 5.765 6.130 1.00 0.00 C ATOM 827 O LEU A 55 -5.955 6.488 7.104 1.00 0.00 O ATOM 828 CB LEU A 55 -6.896 5.906 3.912 1.00 0.00 C ATOM 829 CG LEU A 55 -8.253 6.313 4.496 1.00 0.00 C ATOM 830 CD1 LEU A 55 -8.377 7.830 4.568 1.00 0.00 C ATOM 831 CD2 LEU A 55 -9.384 5.723 3.668 1.00 0.00 C ATOM 0 H LEU A 55 -4.612 5.385 3.186 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.666 7.434 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.815 6.318 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.873 4.821 3.815 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.323 5.918 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.348 8.096 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.587 8.230 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.285 8.251 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.341 6.021 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.314 6.089 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.308 4.636 3.671 1.00 0.00 H new ATOM 843 N ALA A 56 -5.448 4.476 6.250 1.00 0.00 N ATOM 844 CA ALA A 56 -5.612 3.790 7.523 1.00 0.00 C ATOM 845 C ALA A 56 -4.408 4.026 8.422 1.00 0.00 C ATOM 846 O ALA A 56 -4.472 3.815 9.631 1.00 0.00 O ATOM 847 CB ALA A 56 -5.828 2.302 7.294 1.00 0.00 C ATOM 0 H ALA A 56 -5.110 3.887 5.488 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.491 4.196 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.949 1.800 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.724 2.153 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.966 1.885 6.773 1.00 0.00 H new ATOM 853 N THR A 57 -3.318 4.489 7.830 1.00 0.00 N ATOM 854 CA THR A 57 -2.149 4.864 8.599 1.00 0.00 C ATOM 855 C THR A 57 -2.287 6.295 9.125 1.00 0.00 C ATOM 856 O THR A 57 -1.876 6.596 10.247 1.00 0.00 O ATOM 857 CB THR A 57 -0.853 4.699 7.778 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.636 3.314 7.481 1.00 0.00 O ATOM 859 CG2 THR A 57 0.346 5.248 8.522 1.00 0.00 C ATOM 0 H THR A 57 -3.222 4.613 6.822 1.00 0.00 H new ATOM 0 HA THR A 57 -2.081 4.189 9.452 1.00 0.00 H new ATOM 0 HB THR A 57 -0.970 5.263 6.852 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.393 2.968 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.242 5.116 7.916 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.196 6.309 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.464 4.715 9.465 1.00 0.00 H new ATOM 867 N LYS A 58 -2.882 7.180 8.324 1.00 0.00 N ATOM 868 CA LYS A 58 -3.128 8.549 8.764 1.00 0.00 C ATOM 869 C LYS A 58 -4.181 8.595 9.870 1.00 0.00 C ATOM 870 O LYS A 58 -4.196 9.535 10.668 1.00 0.00 O ATOM 871 CB LYS A 58 -3.569 9.441 7.592 1.00 0.00 C ATOM 872 CG LYS A 58 -2.523 9.639 6.490 1.00 0.00 C ATOM 873 CD LYS A 58 -1.509 10.738 6.812 1.00 0.00 C ATOM 874 CE LYS A 58 -2.186 11.973 7.395 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.204 12.980 7.877 1.00 0.00 N ATOM 0 H LYS A 58 -3.199 6.974 7.377 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.187 8.931 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.465 9.010 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.847 10.419 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.993 8.700 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.030 9.883 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.772 10.358 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.969 11.012 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.825 12.426 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.832 11.675 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.696 13.701 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.485 12.511 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.744 13.434 7.062 1.00 0.00 H new ATOM 889 N LEU A 59 -5.057 7.590 9.923 1.00 0.00 N ATOM 890 CA LEU A 59 -6.042 7.507 10.991 1.00 0.00 C ATOM 891 C LEU A 59 -5.363 7.311 12.346 1.00 0.00 C ATOM 892 O LEU A 59 -5.412 8.203 13.199 1.00 0.00 O ATOM 893 CB LEU A 59 -7.029 6.375 10.730 1.00 0.00 C ATOM 894 CG LEU A 59 -7.927 6.564 9.508 1.00 0.00 C ATOM 895 CD1 LEU A 59 -9.137 5.669 9.629 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.355 8.019 9.362 1.00 0.00 C ATOM 0 H LEU A 59 -5.101 6.831 9.243 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.590 8.449 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.470 5.447 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.661 6.255 11.610 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.364 6.292 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.778 5.804 8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.816 4.629 9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.692 5.927 10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.993 8.124 8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.906 8.327 10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.472 8.648 9.246 1.00 0.00 H new ATOM 908 N ASP A 60 -4.714 6.161 12.536 1.00 0.00 N ATOM 909 CA ASP A 60 -4.028 5.863 13.794 1.00 0.00 C ATOM 910 C ASP A 60 -3.306 4.523 13.711 1.00 0.00 C ATOM 911 O ASP A 60 -3.930 3.491 13.464 1.00 0.00 O ATOM 912 CB ASP A 60 -5.014 5.840 14.966 1.00 0.00 C ATOM 913 CG ASP A 60 -4.306 5.844 16.301 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.854 6.927 16.735 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.183 4.767 16.921 1.00 0.00 O ATOM 0 H ASP A 60 -4.649 5.422 11.836 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.297 6.653 13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.673 6.706 14.902 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.644 4.954 14.892 1.00 0.00 H new ATOM 920 N VAL A 61 -1.996 4.541 13.927 1.00 0.00 N ATOM 921 CA VAL A 61 -1.180 3.333 13.812 1.00 0.00 C ATOM 922 C VAL A 61 0.261 3.616 14.278 1.00 0.00 C ATOM 923 O VAL A 61 1.246 3.308 13.599 1.00 0.00 O ATOM 924 CB VAL A 61 -1.212 2.810 12.350 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.601 3.821 11.399 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.521 1.466 12.217 1.00 0.00 C ATOM 0 H VAL A 61 -1.473 5.379 14.183 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.591 2.557 14.458 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.259 2.670 12.080 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.636 3.431 10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.163 4.754 11.449 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.435 4.006 11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.565 1.135 11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.521 1.561 12.524 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.021 0.735 12.852 1.00 0.00 H new ATOM 936 N VAL A 62 0.388 4.197 15.461 1.00 0.00 N ATOM 937 CA VAL A 62 1.688 4.642 15.939 1.00 0.00 C ATOM 938 C VAL A 62 2.181 3.770 17.109 1.00 0.00 C ATOM 939 O VAL A 62 1.456 3.532 18.079 1.00 0.00 O ATOM 940 CB VAL A 62 1.671 6.156 16.312 1.00 0.00 C ATOM 941 CG1 VAL A 62 0.429 6.843 15.766 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.798 6.398 17.811 1.00 0.00 C ATOM 0 H VAL A 62 -0.386 4.370 16.103 1.00 0.00 H new ATOM 0 HA VAL A 62 2.400 4.522 15.122 1.00 0.00 H new ATOM 0 HB VAL A 62 2.551 6.595 15.842 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.445 7.897 16.042 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.411 6.753 14.680 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.461 6.372 16.184 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.780 7.470 18.009 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.967 5.919 18.329 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.738 5.978 18.169 1.00 0.00 H new ATOM 952 N ASP A 63 3.391 3.223 16.966 1.00 0.00 N ATOM 953 CA ASP A 63 3.998 2.403 18.015 1.00 0.00 C ATOM 954 C ASP A 63 4.552 3.250 19.167 1.00 0.00 C ATOM 955 O ASP A 63 4.178 3.041 20.322 1.00 0.00 O ATOM 956 CB ASP A 63 5.118 1.527 17.439 1.00 0.00 C ATOM 957 CG ASP A 63 5.271 0.222 18.188 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.358 -0.618 18.108 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.310 0.028 18.849 1.00 0.00 O ATOM 0 H ASP A 63 3.969 3.334 16.133 1.00 0.00 H new ATOM 0 HA ASP A 63 3.206 1.769 18.414 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.909 1.318 16.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.059 2.076 17.474 1.00 0.00 H new ATOM 964 N PRO A 64 5.459 4.215 18.882 1.00 0.00 N ATOM 965 CA PRO A 64 6.191 4.955 19.899 1.00 0.00 C ATOM 966 C PRO A 64 5.574 6.323 20.198 1.00 0.00 C ATOM 967 O PRO A 64 4.354 6.471 20.247 1.00 0.00 O ATOM 968 CB PRO A 64 7.569 5.118 19.233 1.00 0.00 C ATOM 969 CG PRO A 64 7.359 4.833 17.769 1.00 0.00 C ATOM 970 CD PRO A 64 5.876 4.695 17.567 1.00 0.00 C ATOM 0 HA PRO A 64 6.202 4.448 20.864 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.958 6.125 19.383 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.295 4.429 19.664 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.760 5.640 17.156 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.877 3.920 17.474 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.405 5.643 17.306 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.632 3.989 16.774 1.00 0.00 H new ATOM 978 N ASP A 65 6.437 7.323 20.375 1.00 0.00 N ATOM 979 CA ASP A 65 6.014 8.679 20.730 1.00 0.00 C ATOM 980 C ASP A 65 5.326 9.378 19.555 1.00 0.00 C ATOM 981 O ASP A 65 4.855 10.508 19.674 1.00 0.00 O ATOM 982 CB ASP A 65 7.238 9.498 21.167 1.00 0.00 C ATOM 983 CG ASP A 65 6.868 10.827 21.793 1.00 0.00 C ATOM 984 OD1 ASP A 65 6.277 10.830 22.894 1.00 0.00 O ATOM 985 OD2 ASP A 65 7.183 11.878 21.196 1.00 0.00 O ATOM 0 H ASP A 65 7.447 7.217 20.277 1.00 0.00 H new ATOM 0 HA ASP A 65 5.297 8.607 21.548 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.821 8.916 21.881 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.877 9.675 20.302 1.00 0.00 H new ATOM 990 N GLY A 66 5.248 8.691 18.429 1.00 0.00 N ATOM 991 CA GLY A 66 4.699 9.290 17.235 1.00 0.00 C ATOM 992 C GLY A 66 5.464 8.861 16.002 1.00 0.00 C ATOM 993 O GLY A 66 4.941 8.150 15.139 1.00 0.00 O ATOM 0 H GLY A 66 5.557 7.725 18.321 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.651 9.007 17.132 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.728 10.376 17.324 1.00 0.00 H new ATOM 997 N ASN A 67 6.716 9.280 15.950 1.00 0.00 N ATOM 998 CA ASN A 67 7.606 8.988 14.832 1.00 0.00 C ATOM 999 C ASN A 67 8.114 7.551 14.881 1.00 0.00 C ATOM 1000 O ASN A 67 8.245 6.975 15.956 1.00 0.00 O ATOM 1001 CB ASN A 67 8.795 9.953 14.865 1.00 0.00 C ATOM 1002 CG ASN A 67 9.485 9.974 16.221 1.00 0.00 C ATOM 1003 OD1 ASN A 67 9.112 10.744 17.106 1.00 0.00 O ATOM 1004 ND2 ASN A 67 10.491 9.133 16.400 1.00 0.00 N ATOM 0 H ASN A 67 7.150 9.837 16.686 1.00 0.00 H new ATOM 0 HA ASN A 67 7.043 9.114 13.907 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.514 9.666 14.098 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.451 10.958 14.619 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.983 9.109 17.293 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.774 8.508 15.645 1.00 0.00 H new ATOM 1011 N LEU A 68 8.377 6.978 13.702 1.00 0.00 N ATOM 1012 CA LEU A 68 8.977 5.642 13.586 1.00 0.00 C ATOM 1013 C LEU A 68 8.008 4.560 14.054 1.00 0.00 C ATOM 1014 O LEU A 68 8.397 3.592 14.711 1.00 0.00 O ATOM 1015 CB LEU A 68 10.300 5.555 14.363 1.00 0.00 C ATOM 1016 CG LEU A 68 11.561 5.991 13.598 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.853 5.032 12.453 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.420 7.413 13.071 1.00 0.00 C ATOM 0 H LEU A 68 8.182 7.423 12.805 1.00 0.00 H new ATOM 0 HA LEU A 68 9.193 5.472 12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.213 6.169 15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.437 4.525 14.693 1.00 0.00 H new ATOM 0 HG LEU A 68 12.398 5.968 14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.749 5.358 11.925 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.011 4.029 12.850 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.009 5.021 11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.326 7.694 12.535 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.567 7.468 12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.266 8.097 13.906 1.00 0.00 H new ATOM 1030 N HIS A 69 6.745 4.723 13.692 1.00 0.00 N ATOM 1031 CA HIS A 69 5.707 3.766 14.053 1.00 0.00 C ATOM 1032 C HIS A 69 5.804 2.486 13.211 1.00 0.00 C ATOM 1033 O HIS A 69 4.953 2.211 12.368 1.00 0.00 O ATOM 1034 CB HIS A 69 4.316 4.418 13.912 1.00 0.00 C ATOM 1035 CG HIS A 69 4.019 4.968 12.541 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.102 4.404 11.685 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.532 6.035 11.884 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.068 5.095 10.562 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.928 6.091 10.655 1.00 0.00 N ATOM 0 H HIS A 69 6.411 5.516 13.144 1.00 0.00 H new ATOM 0 HA HIS A 69 5.855 3.478 15.094 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.555 3.680 14.166 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.232 5.225 14.639 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.536 3.580 11.887 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.280 6.717 12.260 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.441 4.881 9.709 1.00 0.00 H new ATOM 1048 N HIS A 70 6.851 1.708 13.454 1.00 0.00 N ATOM 1049 CA HIS A 70 7.089 0.473 12.704 1.00 0.00 C ATOM 1050 C HIS A 70 6.265 -0.694 13.259 1.00 0.00 C ATOM 1051 O HIS A 70 5.554 -1.382 12.515 1.00 0.00 O ATOM 1052 CB HIS A 70 8.592 0.117 12.700 1.00 0.00 C ATOM 1053 CG HIS A 70 9.197 -0.112 14.061 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.389 0.731 15.104 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 9.681 -1.333 14.474 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 9.980 0.013 16.112 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 10.144 -1.229 15.705 1.00 0.00 N flip ATOM 0 H HIS A 70 7.553 1.908 14.166 1.00 0.00 H new ATOM 0 HA HIS A 70 6.768 0.648 11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.735 -0.781 12.100 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.139 0.921 12.207 1.00 0.00 H new ATOM 0 HD1 HIS A 70 9.139 1.720 15.134 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.682 -2.236 13.882 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.264 0.401 17.079 1.00 0.00 H new ATOM 1066 N GLY A 71 6.351 -0.894 14.571 1.00 0.00 N ATOM 1067 CA GLY A 71 5.731 -2.041 15.200 1.00 0.00 C ATOM 1068 C GLY A 71 4.233 -2.084 14.996 1.00 0.00 C ATOM 1069 O GLY A 71 3.696 -3.063 14.475 1.00 0.00 O ATOM 0 H GLY A 71 6.845 -0.274 15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.174 -2.953 14.799 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.947 -2.025 16.268 1.00 0.00 H new ATOM 1073 N ASN A 72 3.566 -1.010 15.399 1.00 0.00 N ATOM 1074 CA ASN A 72 2.114 -0.918 15.311 1.00 0.00 C ATOM 1075 C ASN A 72 1.618 -1.057 13.868 1.00 0.00 C ATOM 1076 O ASN A 72 0.514 -1.531 13.644 1.00 0.00 O ATOM 1077 CB ASN A 72 1.631 0.410 15.917 1.00 0.00 C ATOM 1078 CG ASN A 72 0.198 0.353 16.420 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -0.633 -0.392 15.907 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -0.101 1.151 17.432 1.00 0.00 N ATOM 0 H ASN A 72 4.013 -0.183 15.794 1.00 0.00 H new ATOM 0 HA ASN A 72 1.695 -1.748 15.881 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.288 0.686 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.715 1.196 15.167 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.048 1.161 17.811 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.615 1.756 17.833 1.00 0.00 H new ATOM 1087 N ALA A 73 2.439 -0.679 12.886 1.00 0.00 N ATOM 1088 CA ALA A 73 2.015 -0.746 11.490 1.00 0.00 C ATOM 1089 C ALA A 73 1.980 -2.190 11.006 1.00 0.00 C ATOM 1090 O ALA A 73 1.076 -2.602 10.269 1.00 0.00 O ATOM 1091 CB ALA A 73 2.940 0.086 10.613 1.00 0.00 C ATOM 0 H ALA A 73 3.386 -0.329 13.030 1.00 0.00 H new ATOM 0 HA ALA A 73 1.007 -0.337 11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.610 0.025 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.915 1.125 10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.958 -0.296 10.693 1.00 0.00 H new ATOM 1097 N LYS A 74 2.934 -2.977 11.476 1.00 0.00 N ATOM 1098 CA LYS A 74 3.014 -4.368 11.071 1.00 0.00 C ATOM 1099 C LYS A 74 1.988 -5.185 11.840 1.00 0.00 C ATOM 1100 O LYS A 74 1.362 -6.090 11.289 1.00 0.00 O ATOM 1101 CB LYS A 74 4.426 -4.910 11.306 1.00 0.00 C ATOM 1102 CG LYS A 74 5.486 -4.221 10.461 1.00 0.00 C ATOM 1103 CD LYS A 74 6.886 -4.580 10.928 1.00 0.00 C ATOM 1104 CE LYS A 74 7.957 -3.990 10.024 1.00 0.00 C ATOM 1105 NZ LYS A 74 7.764 -2.534 9.790 1.00 0.00 N ATOM 0 H LYS A 74 3.656 -2.679 12.132 1.00 0.00 H new ATOM 0 HA LYS A 74 2.795 -4.444 10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.681 -4.795 12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.438 -5.978 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.364 -4.508 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.349 -3.141 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.032 -4.219 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.992 -5.664 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.937 -4.156 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.949 -4.513 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.602 -2.145 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.926 -2.387 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.628 -2.051 10.701 1.00 0.00 H new ATOM 1119 N ASP A 75 1.801 -4.850 13.111 1.00 0.00 N ATOM 1120 CA ASP A 75 0.748 -5.471 13.904 1.00 0.00 C ATOM 1121 C ASP A 75 -0.625 -5.067 13.377 1.00 0.00 C ATOM 1122 O ASP A 75 -1.573 -5.842 13.445 1.00 0.00 O ATOM 1123 CB ASP A 75 0.873 -5.106 15.380 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.037 -5.949 16.251 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.325 -7.106 16.554 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.114 -5.464 16.642 1.00 0.00 O ATOM 0 H ASP A 75 2.359 -4.158 13.611 1.00 0.00 H new ATOM 0 HA ASP A 75 0.859 -6.552 13.814 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.906 -5.238 15.700 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.630 -4.052 15.515 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.721 -3.845 12.851 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.953 -3.348 12.240 1.00 0.00 C ATOM 1133 C PHE A 76 -2.382 -4.266 11.106 1.00 0.00 C ATOM 1134 O PHE A 76 -3.562 -4.593 10.966 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.744 -1.922 11.716 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.973 -1.287 11.134 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.949 -0.755 11.960 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.152 -1.220 9.762 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.080 -0.168 11.428 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.282 -0.635 9.225 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.247 -0.109 10.059 1.00 0.00 C ATOM 0 H PHE A 76 0.049 -3.176 12.837 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.739 -3.333 12.995 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.380 -1.298 12.532 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.964 -1.939 10.955 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.824 -0.800 13.032 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.399 -1.630 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.833 0.245 12.083 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.410 -0.589 8.154 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.132 0.348 9.641 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.411 -4.698 10.312 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.677 -5.648 9.239 1.00 0.00 C ATOM 1153 C ALA A 77 -2.012 -7.021 9.807 1.00 0.00 C ATOM 1154 O ALA A 77 -2.834 -7.749 9.253 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.473 -5.754 8.321 1.00 0.00 C ATOM 0 H ALA A 77 -0.436 -4.408 10.390 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.532 -5.286 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.685 -6.467 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.259 -4.777 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.391 -6.094 8.892 1.00 0.00 H new ATOM 1161 N MET A 78 -1.372 -7.365 10.914 1.00 0.00 N ATOM 1162 CA MET A 78 -1.568 -8.668 11.539 1.00 0.00 C ATOM 1163 C MET A 78 -2.907 -8.780 12.265 1.00 0.00 C ATOM 1164 O MET A 78 -3.423 -9.886 12.435 1.00 0.00 O ATOM 1165 CB MET A 78 -0.423 -8.996 12.502 1.00 0.00 C ATOM 1166 CG MET A 78 0.882 -9.328 11.798 1.00 0.00 C ATOM 1167 SD MET A 78 2.151 -9.961 12.915 1.00 0.00 S ATOM 1168 CE MET A 78 2.403 -8.553 13.992 1.00 0.00 C ATOM 0 H MET A 78 -0.711 -6.760 11.400 1.00 0.00 H new ATOM 0 HA MET A 78 -1.574 -9.396 10.728 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.263 -8.147 13.167 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.715 -9.840 13.127 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.690 -10.067 11.020 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.257 -8.433 11.302 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.268 -8.734 14.631 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.577 -7.661 13.390 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.518 -8.406 14.612 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.472 -7.667 12.726 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.774 -7.732 13.363 1.00 0.00 C ATOM 1180 C LYS A 79 -5.888 -7.478 12.353 1.00 0.00 C ATOM 1181 O LYS A 79 -7.037 -7.848 12.594 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.879 -6.743 14.538 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.465 -5.315 14.207 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.058 -4.310 15.190 1.00 0.00 C ATOM 1185 CE LYS A 79 -4.602 -4.534 16.625 1.00 0.00 C ATOM 1186 NZ LYS A 79 -3.225 -4.034 16.865 1.00 0.00 N ATOM 0 H LYS A 79 -3.059 -6.736 12.671 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.890 -8.740 13.762 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.908 -6.734 14.897 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.259 -7.106 15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.378 -5.239 14.222 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.788 -5.068 13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.781 -3.302 14.881 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.146 -4.369 15.148 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.291 -4.033 17.305 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.644 -5.599 16.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.057 -3.956 17.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.538 -4.696 16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.113 -3.099 16.424 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.550 -6.882 11.207 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.551 -6.562 10.194 1.00 0.00 C ATOM 1202 C HIS A 80 -6.049 -6.969 8.817 1.00 0.00 C ATOM 1203 O HIS A 80 -5.359 -6.200 8.152 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.885 -5.057 10.165 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.232 -4.457 11.493 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -7.744 -5.016 12.612 1.00 0.00 N flip ATOM 1207 CD2 HIS A 80 -7.001 -3.139 11.804 1.00 0.00 C flip ATOM 1208 CE1 HIS A 80 -7.800 -4.046 13.576 1.00 0.00 C flip ATOM 1209 NE2 HIS A 80 -7.346 -2.918 13.057 1.00 0.00 N flip ATOM 0 H HIS A 80 -4.597 -6.614 10.961 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.454 -7.115 10.454 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.031 -4.519 9.753 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.721 -4.899 9.483 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -8.036 -5.987 12.719 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.599 -2.399 11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.154 -4.179 14.587 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.362 -8.186 8.409 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.019 -8.617 7.072 1.00 0.00 C ATOM 1220 C GLY A 81 -5.192 -9.882 7.061 1.00 0.00 C ATOM 1221 O GLY A 81 -5.704 -10.961 6.756 1.00 0.00 O ATOM 0 H GLY A 81 -6.846 -8.882 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.933 -8.781 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.467 -7.823 6.569 1.00 0.00 H new ATOM 1225 N ALA A 82 -3.922 -9.759 7.417 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.003 -10.886 7.359 1.00 0.00 C ATOM 1227 C ALA A 82 -2.962 -11.632 8.678 1.00 0.00 C ATOM 1228 O ALA A 82 -2.841 -11.026 9.743 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.598 -10.433 6.988 1.00 0.00 C ATOM 0 H ALA A 82 -3.504 -8.890 7.749 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.373 -11.559 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.935 -11.297 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.617 -9.950 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.234 -9.727 7.734 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.060 -12.946 8.607 1.00 0.00 N ATOM 1236 CA ASP A 83 -2.876 -13.771 9.786 1.00 0.00 C ATOM 1237 C ASP A 83 -1.406 -14.028 9.957 1.00 0.00 C ATOM 1238 O ASP A 83 -0.605 -13.659 9.088 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.638 -15.088 9.713 1.00 0.00 C ATOM 1240 CG ASP A 83 -2.917 -16.162 8.936 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.003 -16.165 7.695 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.277 -17.028 9.574 1.00 0.00 O ATOM 0 H ASP A 83 -3.265 -13.462 7.752 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.280 -13.234 10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.824 -15.447 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.611 -14.910 9.254 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.037 -14.654 11.053 1.00 0.00 N ATOM 1248 CA GLU A 84 0.334 -14.765 11.397 1.00 0.00 C ATOM 1249 C GLU A 84 1.136 -15.491 10.328 1.00 0.00 C ATOM 1250 O GLU A 84 2.288 -15.154 10.093 1.00 0.00 O ATOM 1251 CB GLU A 84 0.515 -15.465 12.740 1.00 0.00 C ATOM 1252 CG GLU A 84 0.453 -14.547 13.947 1.00 0.00 C ATOM 1253 CD GLU A 84 1.040 -15.205 15.173 1.00 0.00 C ATOM 1254 OE1 GLU A 84 0.335 -15.994 15.830 1.00 0.00 O ATOM 1255 OE2 GLU A 84 2.224 -14.957 15.472 1.00 0.00 O ATOM 0 H GLU A 84 -1.681 -15.090 11.713 1.00 0.00 H new ATOM 0 HA GLU A 84 0.715 -13.747 11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.255 -16.230 12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.476 -15.978 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.994 -13.625 13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.583 -14.270 14.142 1.00 0.00 H new ATOM 1262 N THR A 85 0.534 -16.471 9.666 1.00 0.00 N ATOM 1263 CA THR A 85 1.268 -17.242 8.677 1.00 0.00 C ATOM 1264 C THR A 85 1.707 -16.339 7.513 1.00 0.00 C ATOM 1265 O THR A 85 2.783 -16.528 6.954 1.00 0.00 O ATOM 1266 CB THR A 85 0.466 -18.461 8.155 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.350 -19.389 7.516 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.609 -18.045 7.173 1.00 0.00 C ATOM 0 H THR A 85 -0.440 -16.745 9.793 1.00 0.00 H new ATOM 0 HA THR A 85 2.153 -17.640 9.173 1.00 0.00 H new ATOM 0 HB THR A 85 -0.015 -18.929 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.837 -20.158 7.190 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.149 -18.927 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.303 -17.362 7.662 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.149 -17.546 6.320 1.00 0.00 H new ATOM 1276 N MET A 86 0.917 -15.306 7.199 1.00 0.00 N ATOM 1277 CA MET A 86 1.227 -14.438 6.070 1.00 0.00 C ATOM 1278 C MET A 86 2.240 -13.411 6.509 1.00 0.00 C ATOM 1279 O MET A 86 3.181 -13.083 5.784 1.00 0.00 O ATOM 1280 CB MET A 86 -0.030 -13.735 5.549 1.00 0.00 C ATOM 1281 CG MET A 86 -1.172 -14.678 5.238 1.00 0.00 C ATOM 1282 SD MET A 86 -2.668 -13.795 4.749 1.00 0.00 S ATOM 1283 CE MET A 86 -3.761 -15.155 4.343 1.00 0.00 C ATOM 0 H MET A 86 0.069 -15.057 7.708 1.00 0.00 H new ATOM 0 HA MET A 86 1.631 -15.046 5.260 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.363 -13.009 6.290 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.224 -13.177 4.648 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.874 -15.356 4.438 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.384 -15.292 6.114 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.726 -14.763 4.023 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.324 -15.745 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.899 -15.786 5.221 1.00 0.00 H new ATOM 1293 N ALA A 87 2.051 -12.927 7.726 1.00 0.00 N ATOM 1294 CA ALA A 87 2.961 -11.980 8.312 1.00 0.00 C ATOM 1295 C ALA A 87 4.321 -12.629 8.496 1.00 0.00 C ATOM 1296 O ALA A 87 5.348 -12.012 8.253 1.00 0.00 O ATOM 1297 CB ALA A 87 2.408 -11.492 9.636 1.00 0.00 C ATOM 0 H ALA A 87 1.266 -13.183 8.325 1.00 0.00 H new ATOM 0 HA ALA A 87 3.075 -11.121 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.100 -10.775 10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.443 -11.012 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.283 -12.338 10.312 1.00 0.00 H new ATOM 1303 N GLN A 88 4.306 -13.904 8.857 1.00 0.00 N ATOM 1304 CA GLN A 88 5.535 -14.636 9.156 1.00 0.00 C ATOM 1305 C GLN A 88 6.290 -15.002 7.885 1.00 0.00 C ATOM 1306 O GLN A 88 7.512 -15.162 7.912 1.00 0.00 O ATOM 1307 CB GLN A 88 5.228 -15.891 9.978 1.00 0.00 C ATOM 1308 CG GLN A 88 5.487 -15.726 11.470 1.00 0.00 C ATOM 1309 CD GLN A 88 4.986 -14.404 12.024 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.711 -13.413 12.041 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.751 -14.377 12.496 1.00 0.00 N ATOM 0 H GLN A 88 3.454 -14.457 8.951 1.00 0.00 H new ATOM 0 HA GLN A 88 6.175 -13.980 9.746 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.184 -16.166 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.832 -16.717 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.006 -16.543 12.008 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.558 -15.808 11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.175 -15.218 12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.374 -13.515 12.889 1.00 0.00 H new ATOM 1320 N GLN A 89 5.582 -15.129 6.765 1.00 0.00 N ATOM 1321 CA GLN A 89 6.262 -15.324 5.489 1.00 0.00 C ATOM 1322 C GLN A 89 6.767 -13.981 4.965 1.00 0.00 C ATOM 1323 O GLN A 89 7.734 -13.926 4.206 1.00 0.00 O ATOM 1324 CB GLN A 89 5.359 -15.998 4.437 1.00 0.00 C ATOM 1325 CG GLN A 89 4.645 -17.248 4.925 1.00 0.00 C ATOM 1326 CD GLN A 89 5.559 -18.252 5.601 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.733 -18.392 5.251 1.00 0.00 O ATOM 1328 NE2 GLN A 89 5.023 -18.943 6.594 1.00 0.00 N ATOM 0 H GLN A 89 4.564 -15.101 6.714 1.00 0.00 H new ATOM 0 HA GLN A 89 7.103 -15.995 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.614 -15.277 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.965 -16.257 3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.860 -16.957 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.156 -17.729 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.047 -18.795 6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.586 -19.624 7.104 1.00 0.00 H new ATOM 1337 N LEU A 90 6.128 -12.896 5.403 1.00 0.00 N ATOM 1338 CA LEU A 90 6.463 -11.564 4.921 1.00 0.00 C ATOM 1339 C LEU A 90 7.643 -10.979 5.697 1.00 0.00 C ATOM 1340 O LEU A 90 8.589 -10.461 5.106 1.00 0.00 O ATOM 1341 CB LEU A 90 5.251 -10.637 5.042 1.00 0.00 C ATOM 1342 CG LEU A 90 5.424 -9.238 4.440 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.713 -9.319 2.950 1.00 0.00 C ATOM 1344 CD2 LEU A 90 4.182 -8.399 4.695 1.00 0.00 C ATOM 0 H LEU A 90 5.376 -12.918 6.091 1.00 0.00 H new ATOM 0 HA LEU A 90 6.749 -11.648 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.399 -11.117 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.002 -10.530 6.098 1.00 0.00 H new ATOM 0 HG LEU A 90 6.276 -8.761 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.831 -8.313 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.630 -9.885 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.885 -9.817 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.317 -7.408 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.318 -8.880 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.019 -8.307 5.769 1.00 0.00 H new ATOM 1356 N VAL A 91 7.586 -11.098 7.022 1.00 0.00 N ATOM 1357 CA VAL A 91 8.592 -10.519 7.917 1.00 0.00 C ATOM 1358 C VAL A 91 9.997 -11.016 7.590 1.00 0.00 C ATOM 1359 O VAL A 91 10.964 -10.255 7.656 1.00 0.00 O ATOM 1360 CB VAL A 91 8.277 -10.846 9.397 1.00 0.00 C ATOM 1361 CG1 VAL A 91 7.055 -10.084 9.884 1.00 0.00 C ATOM 1362 CG2 VAL A 91 8.085 -12.335 9.575 1.00 0.00 C ATOM 0 H VAL A 91 6.842 -11.598 7.508 1.00 0.00 H new ATOM 0 HA VAL A 91 8.556 -9.440 7.765 1.00 0.00 H new ATOM 0 HB VAL A 91 9.126 -10.528 10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.861 -10.336 10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.236 -9.013 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.191 -10.356 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.864 -12.551 10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.257 -12.672 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.996 -12.857 9.281 1.00 0.00 H new ATOM 1372 N ASP A 92 10.095 -12.282 7.206 1.00 0.00 N ATOM 1373 CA ASP A 92 11.379 -12.897 6.914 1.00 0.00 C ATOM 1374 C ASP A 92 11.993 -12.279 5.663 1.00 0.00 C ATOM 1375 O ASP A 92 13.183 -11.949 5.636 1.00 0.00 O ATOM 1376 CB ASP A 92 11.217 -14.412 6.760 1.00 0.00 C ATOM 1377 CG ASP A 92 12.470 -15.084 6.227 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.512 -15.042 6.918 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.415 -15.674 5.125 1.00 0.00 O ATOM 0 H ASP A 92 9.295 -12.904 7.090 1.00 0.00 H new ATOM 0 HA ASP A 92 12.057 -12.711 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.960 -14.846 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.385 -14.618 6.087 1.00 0.00 H new ATOM 1384 N ILE A 93 11.166 -12.087 4.644 1.00 0.00 N ATOM 1385 CA ILE A 93 11.611 -11.457 3.412 1.00 0.00 C ATOM 1386 C ILE A 93 11.911 -9.985 3.652 1.00 0.00 C ATOM 1387 O ILE A 93 12.924 -9.472 3.193 1.00 0.00 O ATOM 1388 CB ILE A 93 10.568 -11.601 2.273 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.707 -12.949 1.559 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.704 -10.469 1.269 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.640 -14.151 2.476 1.00 0.00 C ATOM 0 H ILE A 93 10.183 -12.359 4.648 1.00 0.00 H new ATOM 0 HA ILE A 93 12.520 -11.970 3.097 1.00 0.00 H new ATOM 0 HB ILE A 93 9.579 -11.552 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.919 -13.033 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.657 -12.967 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.962 -10.592 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.544 -9.515 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.703 -10.487 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.747 -15.063 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.445 -14.095 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.680 -14.162 2.992 1.00 0.00 H new ATOM 1403 N ILE A 94 11.034 -9.316 4.395 1.00 0.00 N ATOM 1404 CA ILE A 94 11.208 -7.897 4.679 1.00 0.00 C ATOM 1405 C ILE A 94 12.563 -7.640 5.319 1.00 0.00 C ATOM 1406 O ILE A 94 13.305 -6.762 4.890 1.00 0.00 O ATOM 1407 CB ILE A 94 10.104 -7.351 5.609 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.746 -7.393 4.906 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.428 -5.928 6.057 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.619 -6.858 5.755 1.00 0.00 C ATOM 0 H ILE A 94 10.200 -9.732 4.809 1.00 0.00 H new ATOM 0 HA ILE A 94 11.143 -7.377 3.723 1.00 0.00 H new ATOM 0 HB ILE A 94 10.058 -7.985 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.804 -6.814 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.522 -8.422 4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.636 -5.563 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.375 -5.923 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.504 -5.280 5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.684 -6.916 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.536 -7.451 6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.822 -5.819 6.016 1.00 0.00 H new ATOM 1422 N HIS A 95 12.898 -8.435 6.322 1.00 0.00 N ATOM 1423 CA HIS A 95 14.149 -8.236 7.047 1.00 0.00 C ATOM 1424 C HIS A 95 15.342 -8.624 6.180 1.00 0.00 C ATOM 1425 O HIS A 95 16.379 -7.964 6.205 1.00 0.00 O ATOM 1426 CB HIS A 95 14.174 -9.046 8.351 1.00 0.00 C ATOM 1427 CG HIS A 95 13.077 -8.703 9.315 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.817 -9.443 10.448 1.00 0.00 N ATOM 1429 CD2 HIS A 95 12.156 -7.710 9.302 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.787 -8.926 11.086 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.365 -7.875 10.412 1.00 0.00 N ATOM 0 H HIS A 95 12.331 -9.216 6.652 1.00 0.00 H new ATOM 0 HA HIS A 95 14.216 -7.177 7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.108 -10.106 8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 95 15.135 -8.891 8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.061 -6.933 8.557 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.361 -9.300 12.005 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.578 -7.281 10.673 1.00 0.00 H new ATOM 1440 N GLY A 96 15.164 -9.651 5.357 1.00 0.00 N ATOM 1441 CA GLY A 96 16.275 -10.187 4.601 1.00 0.00 C ATOM 1442 C GLY A 96 16.524 -9.425 3.321 1.00 0.00 C ATOM 1443 O GLY A 96 17.666 -9.097 2.997 1.00 0.00 O ATOM 0 H GLY A 96 14.271 -10.120 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.175 -10.162 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.079 -11.233 4.365 1.00 0.00 H new ATOM 1447 N CYS A 97 15.458 -9.135 2.595 1.00 0.00 N ATOM 1448 CA CYS A 97 15.574 -8.438 1.337 1.00 0.00 C ATOM 1449 C CYS A 97 15.922 -6.968 1.553 1.00 0.00 C ATOM 1450 O CYS A 97 16.681 -6.414 0.778 1.00 0.00 O ATOM 1451 CB CYS A 97 14.304 -8.602 0.499 1.00 0.00 C ATOM 1452 SG CYS A 97 13.845 -10.350 0.204 1.00 0.00 S ATOM 0 H CYS A 97 14.503 -9.374 2.861 1.00 0.00 H new ATOM 0 HA CYS A 97 16.394 -8.887 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.479 -8.098 1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.444 -8.104 -0.461 1.00 0.00 H new ATOM 1457 N GLU A 98 15.375 -6.332 2.602 1.00 0.00 N ATOM 1458 CA GLU A 98 15.801 -4.973 2.958 1.00 0.00 C ATOM 1459 C GLU A 98 17.268 -4.960 3.380 1.00 0.00 C ATOM 1460 O GLU A 98 18.017 -4.052 3.020 1.00 0.00 O ATOM 1461 CB GLU A 98 14.943 -4.396 4.095 1.00 0.00 C ATOM 1462 CG GLU A 98 15.336 -2.975 4.488 1.00 0.00 C ATOM 1463 CD GLU A 98 14.572 -2.445 5.690 1.00 0.00 C ATOM 1464 OE1 GLU A 98 15.006 -2.687 6.836 1.00 0.00 O ATOM 1465 OE2 GLU A 98 13.548 -1.758 5.498 1.00 0.00 O ATOM 0 H GLU A 98 14.653 -6.728 3.205 1.00 0.00 H new ATOM 0 HA GLU A 98 15.672 -4.352 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.896 -4.405 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.027 -5.043 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.404 -2.949 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.168 -2.312 3.639 1.00 0.00 H new ATOM 1472 N LYS A 99 17.689 -5.985 4.118 1.00 0.00 N ATOM 1473 CA LYS A 99 19.071 -6.081 4.555 1.00 0.00 C ATOM 1474 C LYS A 99 19.995 -6.299 3.360 1.00 0.00 C ATOM 1475 O LYS A 99 21.124 -5.807 3.331 1.00 0.00 O ATOM 1476 CB LYS A 99 19.225 -7.227 5.554 1.00 0.00 C ATOM 1477 CG LYS A 99 20.603 -7.307 6.176 1.00 0.00 C ATOM 1478 CD LYS A 99 20.895 -6.091 7.039 1.00 0.00 C ATOM 1479 CE LYS A 99 22.288 -6.151 7.647 1.00 0.00 C ATOM 1480 NZ LYS A 99 22.498 -7.386 8.449 1.00 0.00 N ATOM 0 H LYS A 99 17.093 -6.755 4.422 1.00 0.00 H new ATOM 0 HA LYS A 99 19.348 -5.146 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.484 -7.110 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 99 19.008 -8.169 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.679 -8.211 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.354 -7.386 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.800 -5.187 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.154 -6.024 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 99 23.032 -6.105 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.444 -5.278 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.372 -7.294 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.692 -7.524 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.578 -8.204 7.812 1.00 0.00 H new ATOM 1494 N SER A 100 19.501 -7.026 2.370 1.00 0.00 N ATOM 1495 CA SER A 100 20.293 -7.357 1.197 1.00 0.00 C ATOM 1496 C SER A 100 19.878 -6.504 -0.002 1.00 0.00 C ATOM 1497 O SER A 100 20.193 -6.827 -1.147 1.00 0.00 O ATOM 1498 CB SER A 100 20.128 -8.841 0.878 1.00 0.00 C ATOM 1499 OG SER A 100 20.259 -9.627 2.054 1.00 0.00 O ATOM 0 H SER A 100 18.552 -7.399 2.356 1.00 0.00 H new ATOM 0 HA SER A 100 21.341 -7.146 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.151 -9.014 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.876 -9.146 0.146 1.00 0.00 H new ATOM 0 HG SER A 100 19.426 -9.586 2.569 1.00 0.00 H new ATOM 1505 N ALA A 101 19.174 -5.413 0.271 1.00 0.00 N ATOM 1506 CA ALA A 101 18.725 -4.502 -0.775 1.00 0.00 C ATOM 1507 C ALA A 101 19.839 -3.537 -1.146 1.00 0.00 C ATOM 1508 O ALA A 101 20.756 -3.314 -0.354 1.00 0.00 O ATOM 1509 CB ALA A 101 17.494 -3.727 -0.322 1.00 0.00 C ATOM 0 H ALA A 101 18.900 -5.136 1.214 1.00 0.00 H new ATOM 0 HA ALA A 101 18.460 -5.092 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.175 -3.053 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.689 -4.425 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.736 -3.148 0.569 1.00 0.00 H new ATOM 1515 N PRO A 102 19.805 -2.981 -2.367 1.00 0.00 N ATOM 1516 CA PRO A 102 20.760 -1.953 -2.776 1.00 0.00 C ATOM 1517 C PRO A 102 20.708 -0.766 -1.820 1.00 0.00 C ATOM 1518 O PRO A 102 19.637 -0.427 -1.317 1.00 0.00 O ATOM 1519 CB PRO A 102 20.288 -1.546 -4.175 1.00 0.00 C ATOM 1520 CG PRO A 102 19.473 -2.697 -4.659 1.00 0.00 C ATOM 1521 CD PRO A 102 18.838 -3.295 -3.436 1.00 0.00 C ATOM 0 HA PRO A 102 21.791 -2.306 -2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.697 -0.631 -4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.133 -1.355 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.716 -2.368 -5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.097 -3.429 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.860 -2.858 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.691 -4.370 -3.543 1.00 0.00 H new ATOM 1529 N PRO A 103 21.860 -0.138 -1.541 1.00 0.00 N ATOM 1530 CA PRO A 103 21.945 0.973 -0.588 1.00 0.00 C ATOM 1531 C PRO A 103 21.202 2.225 -1.064 1.00 0.00 C ATOM 1532 O PRO A 103 21.811 3.221 -1.470 1.00 0.00 O ATOM 1533 CB PRO A 103 23.445 1.238 -0.464 1.00 0.00 C ATOM 1534 CG PRO A 103 24.050 0.666 -1.701 1.00 0.00 C ATOM 1535 CD PRO A 103 23.167 -0.473 -2.127 1.00 0.00 C ATOM 0 HA PRO A 103 21.472 0.722 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.650 2.305 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.855 0.766 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.114 1.420 -2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.065 0.318 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.111 -0.552 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.539 -1.428 -1.757 1.00 0.00 H new ATOM 1543 N ASN A 104 19.879 2.143 -1.030 1.00 0.00 N ATOM 1544 CA ASN A 104 19.009 3.248 -1.398 1.00 0.00 C ATOM 1545 C ASN A 104 18.037 3.540 -0.263 1.00 0.00 C ATOM 1546 O ASN A 104 16.999 2.887 -0.139 1.00 0.00 O ATOM 1547 CB ASN A 104 18.230 2.917 -2.678 1.00 0.00 C ATOM 1548 CG ASN A 104 19.118 2.837 -3.906 1.00 0.00 C ATOM 1549 OD1 ASN A 104 19.695 1.791 -4.205 1.00 0.00 O ATOM 1550 ND2 ASN A 104 19.221 3.939 -4.634 1.00 0.00 N ATOM 0 H ASN A 104 19.378 1.302 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 104 19.624 4.129 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.713 1.966 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.465 3.676 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 104 19.795 3.941 -5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 104 18.726 4.785 -4.351 1.00 0.00 H new ATOM 1557 N ASP A 105 18.392 4.496 0.582 1.00 0.00 N ATOM 1558 CA ASP A 105 17.556 4.844 1.723 1.00 0.00 C ATOM 1559 C ASP A 105 16.355 5.673 1.296 1.00 0.00 C ATOM 1560 O ASP A 105 16.452 6.885 1.107 1.00 0.00 O ATOM 1561 CB ASP A 105 18.347 5.597 2.794 1.00 0.00 C ATOM 1562 CG ASP A 105 17.452 6.056 3.929 1.00 0.00 C ATOM 1563 OD1 ASP A 105 17.034 5.207 4.742 1.00 0.00 O ATOM 1564 OD2 ASP A 105 17.150 7.268 4.005 1.00 0.00 O ATOM 0 H ASP A 105 19.249 5.043 0.501 1.00 0.00 H new ATOM 0 HA ASP A 105 17.202 3.906 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.133 4.952 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.838 6.460 2.345 1.00 0.00 H new ATOM 1569 N ASP A 106 15.234 5.004 1.101 1.00 0.00 N ATOM 1570 CA ASP A 106 13.985 5.684 0.816 1.00 0.00 C ATOM 1571 C ASP A 106 12.834 4.944 1.479 1.00 0.00 C ATOM 1572 O ASP A 106 12.628 3.751 1.237 1.00 0.00 O ATOM 1573 CB ASP A 106 13.754 5.793 -0.690 1.00 0.00 C ATOM 1574 CG ASP A 106 12.474 6.530 -1.041 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.378 5.965 -0.847 1.00 0.00 O ATOM 1576 OD2 ASP A 106 12.563 7.675 -1.524 1.00 0.00 O ATOM 0 H ASP A 106 15.163 3.987 1.135 1.00 0.00 H new ATOM 0 HA ASP A 106 14.039 6.695 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.600 6.308 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.720 4.792 -1.120 1.00 0.00 H new ATOM 1581 N LYS A 107 12.141 5.660 2.354 1.00 0.00 N ATOM 1582 CA LYS A 107 10.966 5.155 3.081 1.00 0.00 C ATOM 1583 C LYS A 107 10.093 4.177 2.267 1.00 0.00 C ATOM 1584 O LYS A 107 9.918 3.031 2.675 1.00 0.00 O ATOM 1585 CB LYS A 107 10.128 6.345 3.550 1.00 0.00 C ATOM 1586 CG LYS A 107 9.069 6.001 4.586 1.00 0.00 C ATOM 1587 CD LYS A 107 8.385 7.254 5.134 1.00 0.00 C ATOM 1588 CE LYS A 107 9.261 8.017 6.130 1.00 0.00 C ATOM 1589 NZ LYS A 107 10.497 8.573 5.510 1.00 0.00 N ATOM 0 H LYS A 107 12.377 6.624 2.588 1.00 0.00 H new ATOM 0 HA LYS A 107 11.339 4.578 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.794 7.101 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.640 6.793 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.322 5.345 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.528 5.449 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.125 7.913 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.452 6.970 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.682 8.831 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.539 7.350 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.737 9.477 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.282 7.902 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.336 8.728 4.494 1.00 0.00 H new ATOM 1603 N CYS A 108 9.532 4.608 1.137 1.00 0.00 N ATOM 1604 CA CYS A 108 8.668 3.731 0.354 1.00 0.00 C ATOM 1605 C CYS A 108 9.432 2.907 -0.690 1.00 0.00 C ATOM 1606 O CYS A 108 8.865 2.000 -1.288 1.00 0.00 O ATOM 1607 CB CYS A 108 7.566 4.534 -0.334 1.00 0.00 C ATOM 1608 SG CYS A 108 6.082 4.828 0.689 1.00 0.00 S ATOM 0 H CYS A 108 9.658 5.543 0.750 1.00 0.00 H new ATOM 0 HA CYS A 108 8.229 3.029 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.975 5.496 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.267 4.010 -1.242 1.00 0.00 H new ATOM 1613 N MET A 109 10.706 3.208 -0.919 1.00 0.00 N ATOM 1614 CA MET A 109 11.487 2.449 -1.898 1.00 0.00 C ATOM 1615 C MET A 109 11.732 1.028 -1.387 1.00 0.00 C ATOM 1616 O MET A 109 11.587 0.029 -2.112 1.00 0.00 O ATOM 1617 CB MET A 109 12.831 3.123 -2.158 1.00 0.00 C ATOM 1618 CG MET A 109 13.158 3.308 -3.631 1.00 0.00 C ATOM 1619 SD MET A 109 13.235 1.758 -4.549 1.00 0.00 S ATOM 1620 CE MET A 109 14.607 0.947 -3.729 1.00 0.00 C ATOM 0 H MET A 109 11.215 3.958 -0.451 1.00 0.00 H new ATOM 0 HA MET A 109 10.920 2.414 -2.828 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.837 4.098 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.619 2.530 -1.694 1.00 0.00 H new ATOM 0 HG2 MET A 109 12.405 3.953 -4.084 1.00 0.00 H new ATOM 0 HG3 MET A 109 14.115 3.823 -3.721 1.00 0.00 H new ATOM 0 HE1 MET A 109 14.975 0.133 -4.354 1.00 0.00 H new ATOM 0 HE2 MET A 109 15.408 1.667 -3.562 1.00 0.00 H new ATOM 0 HE3 MET A 109 14.274 0.547 -2.771 1.00 0.00 H new ATOM 1630 N LYS A 110 12.065 0.962 -0.107 1.00 0.00 N ATOM 1631 CA LYS A 110 12.505 -0.279 0.529 1.00 0.00 C ATOM 1632 C LYS A 110 11.393 -1.314 0.550 1.00 0.00 C ATOM 1633 O LYS A 110 11.584 -2.463 0.153 1.00 0.00 O ATOM 1634 CB LYS A 110 12.956 -0.001 1.968 1.00 0.00 C ATOM 1635 CG LYS A 110 11.972 0.853 2.757 1.00 0.00 C ATOM 1636 CD LYS A 110 12.213 0.767 4.250 1.00 0.00 C ATOM 1637 CE LYS A 110 13.605 1.245 4.624 1.00 0.00 C ATOM 1638 NZ LYS A 110 13.923 0.934 6.039 1.00 0.00 N ATOM 0 H LYS A 110 12.039 1.764 0.523 1.00 0.00 H new ATOM 0 HA LYS A 110 13.338 -0.672 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.099 -0.950 2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.924 0.499 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.055 1.891 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.954 0.531 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.469 1.368 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.081 -0.263 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.340 0.773 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.678 2.320 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 14.919 1.165 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 13.311 1.497 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.762 -0.078 6.217 1.00 0.00 H new ATOM 1652 N THR A 111 10.233 -0.885 1.015 1.00 0.00 N ATOM 1653 CA THR A 111 9.064 -1.733 1.115 1.00 0.00 C ATOM 1654 C THR A 111 8.652 -2.335 -0.236 1.00 0.00 C ATOM 1655 O THR A 111 7.912 -3.315 -0.270 1.00 0.00 O ATOM 1656 CB THR A 111 7.893 -0.953 1.763 1.00 0.00 C ATOM 1657 OG1 THR A 111 6.763 -1.807 1.976 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.468 0.250 0.922 1.00 0.00 C ATOM 0 H THR A 111 10.077 0.071 1.336 1.00 0.00 H new ATOM 0 HA THR A 111 9.326 -2.575 1.756 1.00 0.00 H new ATOM 0 HB THR A 111 8.257 -0.587 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.037 -1.293 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.645 0.766 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.310 0.933 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.145 -0.090 -0.062 1.00 0.00 H new ATOM 1666 N ILE A 112 9.169 -1.809 -1.345 1.00 0.00 N ATOM 1667 CA ILE A 112 8.818 -2.356 -2.646 1.00 0.00 C ATOM 1668 C ILE A 112 9.829 -3.423 -3.022 1.00 0.00 C ATOM 1669 O ILE A 112 9.465 -4.488 -3.528 1.00 0.00 O ATOM 1670 CB ILE A 112 8.726 -1.275 -3.741 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.299 -0.743 -3.857 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.215 -1.776 -5.096 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.855 0.046 -2.652 1.00 0.00 C ATOM 0 H ILE A 112 9.818 -1.022 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 112 7.823 -2.795 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 112 9.387 -0.463 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.225 -0.112 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.618 -1.581 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.129 -0.977 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.257 -2.085 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.608 -2.625 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.833 0.394 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.897 -0.588 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.514 0.904 -2.516 1.00 0.00 H new ATOM 1685 N ASP A 113 11.101 -3.145 -2.730 1.00 0.00 N ATOM 1686 CA ASP A 113 12.163 -4.100 -3.006 1.00 0.00 C ATOM 1687 C ASP A 113 11.938 -5.380 -2.205 1.00 0.00 C ATOM 1688 O ASP A 113 12.196 -6.479 -2.691 1.00 0.00 O ATOM 1689 CB ASP A 113 13.539 -3.496 -2.692 1.00 0.00 C ATOM 1690 CG ASP A 113 14.669 -4.249 -3.369 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.936 -3.970 -4.561 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.293 -5.114 -2.722 1.00 0.00 O ATOM 0 H ASP A 113 11.414 -2.272 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 113 12.141 -4.344 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.557 -2.454 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.697 -3.501 -1.614 1.00 0.00 H new ATOM 1697 N VAL A 114 11.403 -5.245 -0.990 1.00 0.00 N ATOM 1698 CA VAL A 114 11.118 -6.410 -0.166 1.00 0.00 C ATOM 1699 C VAL A 114 9.796 -7.049 -0.569 1.00 0.00 C ATOM 1700 O VAL A 114 9.676 -8.268 -0.574 1.00 0.00 O ATOM 1701 CB VAL A 114 11.090 -6.103 1.345 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.476 -5.783 1.859 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.163 -4.963 1.646 1.00 0.00 C ATOM 0 H VAL A 114 11.163 -4.350 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 114 11.941 -7.102 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 114 10.724 -6.996 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.428 -5.570 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.133 -6.636 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.867 -4.912 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.163 -4.768 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.498 -4.072 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.154 -5.220 1.323 1.00 0.00 H new ATOM 1713 N ALA A 115 8.810 -6.228 -0.923 1.00 0.00 N ATOM 1714 CA ALA A 115 7.501 -6.740 -1.308 1.00 0.00 C ATOM 1715 C ALA A 115 7.587 -7.658 -2.521 1.00 0.00 C ATOM 1716 O ALA A 115 7.095 -8.800 -2.492 1.00 0.00 O ATOM 1717 CB ALA A 115 6.557 -5.590 -1.582 1.00 0.00 C ATOM 0 H ALA A 115 8.893 -5.212 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 115 7.116 -7.332 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.581 -5.981 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.454 -4.982 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.955 -4.978 -2.391 1.00 0.00 H new ATOM 1723 N MET A 116 8.227 -7.183 -3.585 1.00 0.00 N ATOM 1724 CA MET A 116 8.355 -8.004 -4.773 1.00 0.00 C ATOM 1725 C MET A 116 9.305 -9.176 -4.501 1.00 0.00 C ATOM 1726 O MET A 116 9.153 -10.251 -5.076 1.00 0.00 O ATOM 1727 CB MET A 116 8.745 -7.179 -6.026 1.00 0.00 C ATOM 1728 CG MET A 116 10.048 -6.382 -5.963 1.00 0.00 C ATOM 1729 SD MET A 116 11.524 -7.415 -5.882 1.00 0.00 S ATOM 1730 CE MET A 116 12.812 -6.176 -5.989 1.00 0.00 C ATOM 0 H MET A 116 8.653 -6.258 -3.646 1.00 0.00 H new ATOM 0 HA MET A 116 7.376 -8.422 -5.009 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.808 -7.862 -6.873 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.934 -6.483 -6.237 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.113 -5.738 -6.840 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.023 -5.730 -5.090 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.510 -6.445 -6.781 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.367 -5.206 -6.211 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.344 -6.122 -5.039 1.00 0.00 H new ATOM 1740 N CYS A 117 10.219 -8.988 -3.548 1.00 0.00 N ATOM 1741 CA CYS A 117 11.145 -10.037 -3.127 1.00 0.00 C ATOM 1742 C CYS A 117 10.383 -11.140 -2.407 1.00 0.00 C ATOM 1743 O CYS A 117 10.800 -12.299 -2.396 1.00 0.00 O ATOM 1744 CB CYS A 117 12.224 -9.428 -2.216 1.00 0.00 C ATOM 1745 SG CYS A 117 13.625 -10.526 -1.812 1.00 0.00 S ATOM 0 H CYS A 117 10.337 -8.107 -3.048 1.00 0.00 H new ATOM 0 HA CYS A 117 11.631 -10.474 -4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.615 -8.531 -2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.753 -9.112 -1.285 1.00 0.00 H new ATOM 1750 N PHE A 118 9.237 -10.776 -1.846 1.00 0.00 N ATOM 1751 CA PHE A 118 8.416 -11.723 -1.126 1.00 0.00 C ATOM 1752 C PHE A 118 7.644 -12.612 -2.089 1.00 0.00 C ATOM 1753 O PHE A 118 7.663 -13.830 -1.943 1.00 0.00 O ATOM 1754 CB PHE A 118 7.462 -10.996 -0.162 1.00 0.00 C ATOM 1755 CG PHE A 118 6.336 -11.855 0.340 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.565 -12.849 1.276 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.045 -11.668 -0.130 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.530 -13.640 1.733 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.006 -12.455 0.325 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.249 -13.445 1.258 1.00 0.00 C ATOM 0 H PHE A 118 8.860 -9.829 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 118 9.073 -12.360 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.033 -10.627 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.045 -10.125 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.565 -13.007 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.850 -10.897 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.723 -14.412 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.005 -12.297 -0.048 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.439 -14.064 1.614 1.00 0.00 H new ATOM 1770 N LYS A 119 6.963 -12.027 -3.074 1.00 0.00 N ATOM 1771 CA LYS A 119 6.221 -12.856 -4.018 1.00 0.00 C ATOM 1772 C LYS A 119 7.162 -13.625 -4.969 1.00 0.00 C ATOM 1773 O LYS A 119 6.777 -14.674 -5.489 1.00 0.00 O ATOM 1774 CB LYS A 119 5.077 -12.073 -4.721 1.00 0.00 C ATOM 1775 CG LYS A 119 4.424 -12.767 -5.905 1.00 0.00 C ATOM 1776 CD LYS A 119 5.189 -12.569 -7.207 1.00 0.00 C ATOM 1777 CE LYS A 119 5.197 -11.110 -7.633 1.00 0.00 C ATOM 1778 NZ LYS A 119 5.456 -10.959 -9.090 1.00 0.00 N ATOM 0 H LYS A 119 6.910 -11.021 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 119 5.705 -13.630 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.306 -11.855 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.474 -11.116 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.345 -13.834 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.409 -12.389 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.214 -12.919 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.737 -13.176 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.238 -10.654 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.960 -10.572 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.453 -9.950 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.382 -11.371 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.714 -11.451 -9.627 1.00 0.00 H new ATOM 1792 N LYS A 120 8.399 -13.143 -5.189 1.00 0.00 N ATOM 1793 CA LYS A 120 9.401 -13.975 -5.855 1.00 0.00 C ATOM 1794 C LYS A 120 9.635 -15.236 -5.036 1.00 0.00 C ATOM 1795 O LYS A 120 9.508 -16.357 -5.534 1.00 0.00 O ATOM 1796 CB LYS A 120 10.729 -13.238 -6.015 1.00 0.00 C ATOM 1797 CG LYS A 120 11.121 -13.015 -7.463 1.00 0.00 C ATOM 1798 CD LYS A 120 10.258 -11.944 -8.098 1.00 0.00 C ATOM 1799 CE LYS A 120 10.548 -10.586 -7.492 1.00 0.00 C ATOM 1800 NZ LYS A 120 11.904 -10.090 -7.843 1.00 0.00 N ATOM 0 H LYS A 120 8.716 -12.211 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 120 9.023 -14.224 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.664 -12.274 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.514 -13.806 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.170 -12.723 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.019 -13.947 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 120 10.441 -11.914 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.205 -12.191 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.801 -9.870 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.455 -10.647 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.019 -9.118 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.622 -10.703 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.021 -10.102 -8.876 1.00 0.00 H new ATOM 1814 N GLU A 121 9.960 -15.029 -3.765 1.00 0.00 N ATOM 1815 CA GLU A 121 10.177 -16.116 -2.840 1.00 0.00 C ATOM 1816 C GLU A 121 8.944 -17.024 -2.725 1.00 0.00 C ATOM 1817 O GLU A 121 9.068 -18.237 -2.841 1.00 0.00 O ATOM 1818 CB GLU A 121 10.547 -15.557 -1.473 1.00 0.00 C ATOM 1819 CG GLU A 121 11.167 -16.594 -0.574 1.00 0.00 C ATOM 1820 CD GLU A 121 12.498 -17.083 -1.098 1.00 0.00 C ATOM 1821 OE1 GLU A 121 12.516 -18.018 -1.923 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.538 -16.521 -0.703 1.00 0.00 O ATOM 0 H GLU A 121 10.078 -14.102 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 121 10.996 -16.725 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.243 -14.728 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.654 -15.154 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.303 -16.174 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.486 -17.439 -0.473 1.00 0.00 H new ATOM 1829 N ILE A 122 7.761 -16.442 -2.495 1.00 0.00 N ATOM 1830 CA ILE A 122 6.523 -17.203 -2.416 1.00 0.00 C ATOM 1831 C ILE A 122 6.325 -18.075 -3.671 1.00 0.00 C ATOM 1832 O ILE A 122 5.765 -19.169 -3.591 1.00 0.00 O ATOM 1833 CB ILE A 122 5.317 -16.244 -2.182 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.398 -16.805 -1.096 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.528 -15.965 -3.457 1.00 0.00 C ATOM 1836 CD1 ILE A 122 3.650 -18.064 -1.488 1.00 0.00 C ATOM 0 H ILE A 122 7.642 -15.438 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 122 6.584 -17.881 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 122 5.728 -15.290 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.994 -17.014 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.673 -16.039 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.701 -15.292 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.182 -15.503 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.136 -16.901 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 122 3.024 -18.389 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.023 -17.860 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 122 4.364 -18.850 -1.733 1.00 0.00 H new ATOM 1848 N HIS A 123 6.791 -17.596 -4.828 1.00 0.00 N ATOM 1849 CA HIS A 123 6.731 -18.388 -6.058 1.00 0.00 C ATOM 1850 C HIS A 123 7.718 -19.563 -6.053 1.00 0.00 C ATOM 1851 O HIS A 123 7.427 -20.612 -6.625 1.00 0.00 O ATOM 1852 CB HIS A 123 6.978 -17.510 -7.285 1.00 0.00 C ATOM 1853 CG HIS A 123 5.728 -16.938 -7.878 1.00 0.00 C ATOM 1854 ND1 HIS A 123 5.402 -17.069 -9.211 1.00 0.00 N ATOM 1855 CD2 HIS A 123 4.721 -16.229 -7.315 1.00 0.00 C ATOM 1856 CE1 HIS A 123 4.253 -16.464 -9.445 1.00 0.00 C ATOM 1857 NE2 HIS A 123 3.819 -15.947 -8.311 1.00 0.00 N ATOM 0 H HIS A 123 7.210 -16.673 -4.938 1.00 0.00 H new ATOM 0 HA HIS A 123 5.725 -18.804 -6.107 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.645 -16.693 -7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 123 7.493 -18.099 -8.044 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.642 -15.940 -6.277 1.00 0.00 H new ATOM 0 HE1 HIS A 123 3.753 -16.402 -10.401 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.952 -15.422 -8.193 1.00 0.00 H new ATOM 1866 N LYS A 124 8.875 -19.402 -5.412 1.00 0.00 N ATOM 1867 CA LYS A 124 9.816 -20.506 -5.270 1.00 0.00 C ATOM 1868 C LYS A 124 9.354 -21.441 -4.156 1.00 0.00 C ATOM 1869 O LYS A 124 9.578 -22.651 -4.198 1.00 0.00 O ATOM 1870 CB LYS A 124 11.226 -19.984 -4.975 1.00 0.00 C ATOM 1871 CG LYS A 124 12.269 -21.086 -4.920 1.00 0.00 C ATOM 1872 CD LYS A 124 12.361 -21.820 -6.246 1.00 0.00 C ATOM 1873 CE LYS A 124 13.106 -23.137 -6.111 1.00 0.00 C ATOM 1874 NZ LYS A 124 14.482 -22.957 -5.580 1.00 0.00 N ATOM 0 H LYS A 124 9.179 -18.526 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 124 9.848 -21.058 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.508 -19.263 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.218 -19.451 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.240 -20.659 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.016 -21.791 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.358 -22.008 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.867 -21.189 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.548 -23.801 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.156 -23.625 -7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.995 -23.860 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.981 -22.241 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.434 -22.644 -4.589 1.00 0.00 H new ATOM 1888 N LEU A 125 8.694 -20.856 -3.167 1.00 0.00 N ATOM 1889 CA LEU A 125 8.097 -21.602 -2.061 1.00 0.00 C ATOM 1890 C LEU A 125 6.853 -22.372 -2.510 1.00 0.00 C ATOM 1891 O LEU A 125 6.091 -22.870 -1.679 1.00 0.00 O ATOM 1892 CB LEU A 125 7.726 -20.653 -0.917 1.00 0.00 C ATOM 1893 CG LEU A 125 8.896 -19.908 -0.271 1.00 0.00 C ATOM 1894 CD1 LEU A 125 8.401 -18.997 0.843 1.00 0.00 C ATOM 1895 CD2 LEU A 125 9.924 -20.889 0.264 1.00 0.00 C ATOM 0 H LEU A 125 8.555 -19.847 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 125 8.839 -22.321 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.015 -19.918 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.213 -21.226 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 125 9.372 -19.292 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.248 -18.476 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.702 -18.268 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.899 -19.593 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.748 -20.340 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.459 -21.532 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.304 -21.500 -0.554 1.00 0.00 H new ATOM 1907 N ASN A 126 6.644 -22.446 -3.824 1.00 0.00 N ATOM 1908 CA ASN A 126 5.543 -23.208 -4.400 1.00 0.00 C ATOM 1909 C ASN A 126 5.621 -24.655 -3.914 1.00 0.00 C ATOM 1910 O ASN A 126 6.707 -25.144 -3.595 1.00 0.00 O ATOM 1911 CB ASN A 126 5.645 -23.157 -5.930 1.00 0.00 C ATOM 1912 CG ASN A 126 4.326 -23.413 -6.637 1.00 0.00 C ATOM 1913 OD1 ASN A 126 3.448 -24.100 -6.123 1.00 0.00 O ATOM 1914 ND2 ASN A 126 4.183 -22.859 -7.832 1.00 0.00 N ATOM 0 H ASN A 126 7.232 -21.980 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 126 4.589 -22.781 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.023 -22.179 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 126 6.375 -23.896 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 126 3.320 -22.997 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 126 4.936 -22.294 -8.226 1.00 0.00 H new ATOM 1921 N TRP A 127 4.487 -25.343 -3.847 1.00 0.00 N ATOM 1922 CA TRP A 127 4.477 -26.719 -3.366 1.00 0.00 C ATOM 1923 C TRP A 127 5.069 -27.656 -4.419 1.00 0.00 C ATOM 1924 O TRP A 127 4.362 -28.324 -5.173 1.00 0.00 O ATOM 1925 CB TRP A 127 3.065 -27.158 -2.934 1.00 0.00 C ATOM 1926 CG TRP A 127 2.013 -27.034 -3.997 1.00 0.00 C ATOM 1927 CD1 TRP A 127 1.523 -25.883 -4.540 1.00 0.00 C ATOM 1928 CD2 TRP A 127 1.305 -28.109 -4.626 1.00 0.00 C ATOM 1929 NE1 TRP A 127 0.572 -26.177 -5.484 1.00 0.00 N ATOM 1930 CE2 TRP A 127 0.416 -27.536 -5.552 1.00 0.00 C ATOM 1931 CE3 TRP A 127 1.344 -29.499 -4.502 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 -0.428 -28.305 -6.345 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 0.504 -30.261 -5.289 1.00 0.00 C ATOM 1934 CH2 TRP A 127 -0.371 -29.662 -6.202 1.00 0.00 C ATOM 0 H TRP A 127 3.574 -24.977 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 127 5.106 -26.774 -2.477 1.00 0.00 H new ATOM 0 HB2 TRP A 127 3.108 -28.196 -2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 127 2.763 -26.563 -2.073 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.837 -24.887 -4.267 1.00 0.00 H new ATOM 0 HE1 TRP A 127 0.063 -25.494 -6.045 1.00 0.00 H new ATOM 0 HE3 TRP A 127 2.019 -29.970 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -1.105 -27.845 -7.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 0.522 -31.337 -5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -1.014 -30.285 -6.806 1.00 0.00 H new ATOM 1945 N VAL A 128 6.387 -27.651 -4.493 1.00 0.00 N ATOM 1946 CA VAL A 128 7.110 -28.470 -5.445 1.00 0.00 C ATOM 1947 C VAL A 128 8.053 -29.423 -4.721 1.00 0.00 C ATOM 1948 O VAL A 128 8.700 -29.045 -3.740 1.00 0.00 O ATOM 1949 CB VAL A 128 7.910 -27.608 -6.449 1.00 0.00 C ATOM 1950 CG1 VAL A 128 6.970 -26.793 -7.322 1.00 0.00 C ATOM 1951 CG2 VAL A 128 8.890 -26.693 -5.728 1.00 0.00 C ATOM 0 H VAL A 128 6.985 -27.080 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 128 6.372 -29.046 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 128 8.482 -28.282 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 128 7.552 -26.193 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 128 6.315 -27.465 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.368 -26.136 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.438 -26.099 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 128 8.343 -26.029 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 128 9.591 -27.294 -5.150 1.00 0.00 H new ATOM 1961 N PRO A 129 8.115 -30.680 -5.170 1.00 0.00 N ATOM 1962 CA PRO A 129 8.994 -31.689 -4.591 1.00 0.00 C ATOM 1963 C PRO A 129 10.440 -31.508 -5.034 1.00 0.00 C ATOM 1964 O PRO A 129 10.760 -31.639 -6.216 1.00 0.00 O ATOM 1965 CB PRO A 129 8.437 -33.018 -5.126 1.00 0.00 C ATOM 1966 CG PRO A 129 7.181 -32.670 -5.858 1.00 0.00 C ATOM 1967 CD PRO A 129 7.320 -31.234 -6.266 1.00 0.00 C ATOM 0 HA PRO A 129 9.011 -31.633 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.154 -33.504 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 129 8.235 -33.713 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 129 7.048 -33.311 -6.729 1.00 0.00 H new ATOM 0 HG3 PRO A 129 6.307 -32.811 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 129 7.823 -31.130 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 129 6.352 -30.741 -6.358 1.00 0.00 H new ATOM 1975 N ASN A 130 11.305 -31.180 -4.089 1.00 0.00 N ATOM 1976 CA ASN A 130 12.726 -31.052 -4.374 1.00 0.00 C ATOM 1977 C ASN A 130 13.419 -32.371 -4.033 1.00 0.00 C ATOM 1978 O ASN A 130 12.778 -33.300 -3.537 1.00 0.00 O ATOM 1979 CB ASN A 130 13.324 -29.885 -3.569 1.00 0.00 C ATOM 1980 CG ASN A 130 14.786 -29.614 -3.888 1.00 0.00 C ATOM 1981 OD1 ASN A 130 15.236 -29.807 -5.017 1.00 0.00 O ATOM 1982 ND2 ASN A 130 15.541 -29.188 -2.888 1.00 0.00 N ATOM 0 H ASN A 130 11.050 -30.997 -3.119 1.00 0.00 H new ATOM 0 HA ASN A 130 12.877 -30.836 -5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 130 12.744 -28.983 -3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 130 13.226 -30.100 -2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 130 16.533 -29.008 -3.039 1.00 0.00 H new ATOM 0 HD22 ASN A 130 15.130 -29.040 -1.966 1.00 0.00 H new ATOM 1989 N MET A 131 14.715 -32.457 -4.294 1.00 0.00 N ATOM 1990 CA MET A 131 15.473 -33.671 -4.013 1.00 0.00 C ATOM 1991 C MET A 131 15.836 -33.766 -2.530 1.00 0.00 C ATOM 1992 O MET A 131 16.600 -34.642 -2.126 1.00 0.00 O ATOM 1993 CB MET A 131 16.742 -33.721 -4.868 1.00 0.00 C ATOM 1994 CG MET A 131 17.704 -32.575 -4.606 1.00 0.00 C ATOM 1995 SD MET A 131 19.240 -32.733 -5.536 1.00 0.00 S ATOM 1996 CE MET A 131 18.632 -32.694 -7.221 1.00 0.00 C ATOM 0 H MET A 131 15.266 -31.701 -4.700 1.00 0.00 H new ATOM 0 HA MET A 131 14.842 -34.523 -4.265 1.00 0.00 H new ATOM 0 HB2 MET A 131 17.256 -34.664 -4.683 1.00 0.00 H new ATOM 0 HB3 MET A 131 16.460 -33.713 -5.921 1.00 0.00 H new ATOM 0 HG2 MET A 131 17.221 -31.633 -4.867 1.00 0.00 H new ATOM 0 HG3 MET A 131 17.931 -32.533 -3.541 1.00 0.00 H new ATOM 0 HE1 MET A 131 19.453 -32.462 -7.899 1.00 0.00 H new ATOM 0 HE2 MET A 131 18.213 -33.666 -7.479 1.00 0.00 H new ATOM 0 HE3 MET A 131 17.860 -31.930 -7.312 1.00 0.00 H new ATOM 2006 N ASP A 132 15.292 -32.862 -1.726 1.00 0.00 N ATOM 2007 CA ASP A 132 15.495 -32.914 -0.287 1.00 0.00 C ATOM 2008 C ASP A 132 14.343 -33.668 0.364 1.00 0.00 C ATOM 2009 O ASP A 132 13.169 -33.386 0.106 1.00 0.00 O ATOM 2010 CB ASP A 132 15.624 -31.505 0.316 1.00 0.00 C ATOM 2011 CG ASP A 132 14.307 -30.744 0.379 1.00 0.00 C ATOM 2012 OD1 ASP A 132 13.870 -30.210 -0.658 1.00 0.00 O ATOM 2013 OD2 ASP A 132 13.709 -30.668 1.475 1.00 0.00 O ATOM 0 H ASP A 132 14.710 -32.088 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 132 16.430 -33.440 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 132 16.035 -31.586 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 132 16.338 -30.930 -0.275 1.00 0.00 H new ATOM 2018 N LEU A 133 14.678 -34.655 1.171 1.00 0.00 N ATOM 2019 CA LEU A 133 13.676 -35.437 1.871 1.00 0.00 C ATOM 2020 C LEU A 133 13.828 -35.259 3.373 1.00 0.00 C ATOM 2021 O LEU A 133 14.896 -35.516 3.934 1.00 0.00 O ATOM 2022 CB LEU A 133 13.802 -36.918 1.506 1.00 0.00 C ATOM 2023 CG LEU A 133 12.744 -37.832 2.124 1.00 0.00 C ATOM 2024 CD1 LEU A 133 11.363 -37.492 1.585 1.00 0.00 C ATOM 2025 CD2 LEU A 133 13.080 -39.290 1.856 1.00 0.00 C ATOM 0 H LEU A 133 15.640 -34.936 1.359 1.00 0.00 H new ATOM 0 HA LEU A 133 12.690 -35.085 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.753 -37.014 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 133 14.787 -37.269 1.813 1.00 0.00 H new ATOM 0 HG LEU A 133 12.738 -37.673 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.623 -38.153 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.122 -36.457 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.353 -37.621 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 133 12.317 -39.927 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 133 13.114 -39.464 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 133 14.051 -39.526 2.292 1.00 0.00 H new ATOM 2037 N VAL A 134 12.765 -34.807 4.015 1.00 0.00 N ATOM 2038 CA VAL A 134 12.760 -34.617 5.456 1.00 0.00 C ATOM 2039 C VAL A 134 11.692 -35.493 6.097 1.00 0.00 C ATOM 2040 O VAL A 134 10.492 -35.285 5.898 1.00 0.00 O ATOM 2041 CB VAL A 134 12.558 -33.127 5.842 1.00 0.00 C ATOM 2042 CG1 VAL A 134 13.805 -32.325 5.508 1.00 0.00 C ATOM 2043 CG2 VAL A 134 11.353 -32.528 5.130 1.00 0.00 C ATOM 0 H VAL A 134 11.887 -34.563 3.557 1.00 0.00 H new ATOM 0 HA VAL A 134 13.737 -34.916 5.836 1.00 0.00 H new ATOM 0 HB VAL A 134 12.375 -33.083 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 134 13.651 -31.282 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 134 14.654 -32.725 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 134 14.005 -32.392 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 134 11.240 -31.484 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 134 11.500 -32.589 4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 134 10.455 -33.081 5.406 1.00 0.00 H new ATOM 2053 N ILE A 135 12.132 -36.496 6.839 1.00 0.00 N ATOM 2054 CA ILE A 135 11.217 -37.425 7.476 1.00 0.00 C ATOM 2055 C ILE A 135 11.217 -37.214 8.984 1.00 0.00 C ATOM 2056 O ILE A 135 12.132 -37.646 9.689 1.00 0.00 O ATOM 2057 CB ILE A 135 11.558 -38.903 7.155 1.00 0.00 C ATOM 2058 CG1 ILE A 135 11.408 -39.190 5.653 1.00 0.00 C ATOM 2059 CG2 ILE A 135 10.673 -39.846 7.961 1.00 0.00 C ATOM 2060 CD1 ILE A 135 10.034 -38.868 5.100 1.00 0.00 C ATOM 0 H ILE A 135 13.119 -36.687 7.014 1.00 0.00 H new ATOM 0 HA ILE A 135 10.224 -37.221 7.074 1.00 0.00 H new ATOM 0 HB ILE A 135 12.598 -39.074 7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 135 12.153 -38.612 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 135 11.625 -40.243 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 135 10.928 -40.878 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 135 10.830 -39.671 9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 135 9.627 -39.664 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 135 10.008 -39.097 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 135 9.284 -39.465 5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 135 9.821 -37.809 5.248 1.00 0.00 H new ATOM 2072 N GLY A 136 10.203 -36.516 9.468 1.00 0.00 N ATOM 2073 CA GLY A 136 10.061 -36.313 10.890 1.00 0.00 C ATOM 2074 C GLY A 136 9.434 -37.518 11.554 1.00 0.00 C ATOM 2075 O GLY A 136 8.208 -37.653 11.581 1.00 0.00 O ATOM 0 H GLY A 136 9.474 -36.086 8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 136 11.038 -36.118 11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.447 -35.432 11.075 1.00 0.00 H new ATOM 2079 N GLU A 137 10.271 -38.408 12.069 1.00 0.00 N ATOM 2080 CA GLU A 137 9.783 -39.638 12.677 1.00 0.00 C ATOM 2081 C GLU A 137 9.203 -39.362 14.060 1.00 0.00 C ATOM 2082 O GLU A 137 9.626 -38.436 14.748 1.00 0.00 O ATOM 2083 CB GLU A 137 10.875 -40.732 12.713 1.00 0.00 C ATOM 2084 CG GLU A 137 12.222 -40.332 13.321 1.00 0.00 C ATOM 2085 CD GLU A 137 12.159 -40.066 14.811 1.00 0.00 C ATOM 2086 OE1 GLU A 137 11.739 -40.969 15.563 1.00 0.00 O ATOM 2087 OE2 GLU A 137 12.546 -38.960 15.238 1.00 0.00 O ATOM 0 H GLU A 137 11.285 -38.303 12.078 1.00 0.00 H new ATOM 0 HA GLU A 137 8.978 -40.025 12.053 1.00 0.00 H new ATOM 0 HB2 GLU A 137 10.487 -41.583 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 137 11.049 -41.074 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 137 12.946 -41.124 13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 137 12.588 -39.438 12.816 1.00 0.00 H new ATOM 2094 N VAL A 138 8.199 -40.138 14.437 1.00 0.00 N ATOM 2095 CA VAL A 138 7.527 -39.957 15.714 1.00 0.00 C ATOM 2096 C VAL A 138 7.579 -41.237 16.535 1.00 0.00 C ATOM 2097 O VAL A 138 7.167 -42.301 16.070 1.00 0.00 O ATOM 2098 CB VAL A 138 6.053 -39.535 15.519 1.00 0.00 C ATOM 2099 CG1 VAL A 138 5.362 -39.348 16.864 1.00 0.00 C ATOM 2100 CG2 VAL A 138 5.964 -38.261 14.690 1.00 0.00 C ATOM 0 H VAL A 138 7.830 -40.904 13.873 1.00 0.00 H new ATOM 0 HA VAL A 138 8.051 -39.163 16.246 1.00 0.00 H new ATOM 0 HB VAL A 138 5.540 -40.332 14.980 1.00 0.00 H new ATOM 0 HG11 VAL A 138 4.326 -39.051 16.702 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.389 -40.285 17.420 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.877 -38.574 17.433 1.00 0.00 H new ATOM 0 HG21 VAL A 138 4.918 -37.981 14.564 1.00 0.00 H new ATOM 0 HG22 VAL A 138 6.496 -37.458 15.199 1.00 0.00 H new ATOM 0 HG23 VAL A 138 6.414 -38.431 13.712 1.00 0.00 H new ATOM 2110 N LEU A 139 8.085 -41.130 17.752 1.00 0.00 N ATOM 2111 CA LEU A 139 8.181 -42.273 18.642 1.00 0.00 C ATOM 2112 C LEU A 139 7.517 -41.949 19.975 1.00 0.00 C ATOM 2113 O LEU A 139 8.000 -41.104 20.732 1.00 0.00 O ATOM 2114 CB LEU A 139 9.648 -42.662 18.852 1.00 0.00 C ATOM 2115 CG LEU A 139 9.885 -43.901 19.721 1.00 0.00 C ATOM 2116 CD1 LEU A 139 9.299 -45.140 19.063 1.00 0.00 C ATOM 2117 CD2 LEU A 139 11.372 -44.086 19.987 1.00 0.00 C ATOM 0 H LEU A 139 8.437 -40.258 18.147 1.00 0.00 H new ATOM 0 HA LEU A 139 7.664 -43.119 18.190 1.00 0.00 H new ATOM 0 HB2 LEU A 139 10.104 -42.832 17.876 1.00 0.00 H new ATOM 0 HB3 LEU A 139 10.168 -41.818 19.304 1.00 0.00 H new ATOM 0 HG LEU A 139 9.380 -43.753 20.675 1.00 0.00 H new ATOM 0 HD11 LEU A 139 9.479 -46.008 19.697 1.00 0.00 H new ATOM 0 HD12 LEU A 139 8.226 -45.006 18.926 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.772 -45.295 18.093 1.00 0.00 H new ATOM 0 HD21 LEU A 139 11.524 -44.970 20.606 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.898 -44.211 19.041 1.00 0.00 H new ATOM 0 HD23 LEU A 139 11.761 -43.210 20.506 1.00 0.00 H new ATOM 2129 N ALA A 140 6.407 -42.612 20.251 1.00 0.00 N ATOM 2130 CA ALA A 140 5.656 -42.372 21.472 1.00 0.00 C ATOM 2131 C ALA A 140 5.523 -43.662 22.271 1.00 0.00 C ATOM 2132 O ALA A 140 6.215 -44.643 21.991 1.00 0.00 O ATOM 2133 CB ALA A 140 4.287 -41.796 21.138 1.00 0.00 C ATOM 0 H ALA A 140 6.004 -43.325 19.643 1.00 0.00 H new ATOM 0 HA ALA A 140 6.193 -41.647 22.084 1.00 0.00 H new ATOM 0 HB1 ALA A 140 3.732 -41.620 22.059 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.409 -40.855 20.602 1.00 0.00 H new ATOM 0 HB3 ALA A 140 3.738 -42.501 20.513 1.00 0.00 H new ATOM 2139 N GLU A 141 4.643 -43.664 23.257 1.00 0.00 N ATOM 2140 CA GLU A 141 4.444 -44.839 24.087 1.00 0.00 C ATOM 2141 C GLU A 141 3.067 -45.443 23.830 1.00 0.00 C ATOM 2142 O GLU A 141 2.114 -44.734 23.490 1.00 0.00 O ATOM 2143 CB GLU A 141 4.610 -44.495 25.577 1.00 0.00 C ATOM 2144 CG GLU A 141 3.481 -43.657 26.172 1.00 0.00 C ATOM 2145 CD GLU A 141 3.413 -42.248 25.614 1.00 0.00 C ATOM 2146 OE1 GLU A 141 2.802 -42.054 24.545 1.00 0.00 O ATOM 2147 OE2 GLU A 141 3.951 -41.319 26.251 1.00 0.00 O ATOM 0 H GLU A 141 4.056 -42.867 23.502 1.00 0.00 H new ATOM 0 HA GLU A 141 5.204 -45.575 23.823 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.691 -45.423 26.143 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.550 -43.958 25.709 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.531 -44.158 25.987 1.00 0.00 H new ATOM 0 HG3 GLU A 141 3.609 -43.605 27.253 1.00 0.00 H new ATOM 2154 N VAL A 142 2.969 -46.751 23.973 1.00 0.00 N ATOM 2155 CA VAL A 142 1.707 -47.445 23.788 1.00 0.00 C ATOM 2156 C VAL A 142 1.262 -48.069 25.104 1.00 0.00 C ATOM 2157 O VAL A 142 0.187 -47.685 25.610 1.00 0.00 O ATOM 2158 CB VAL A 142 1.803 -48.539 22.702 1.00 0.00 C ATOM 2159 CG1 VAL A 142 0.459 -49.223 22.505 1.00 0.00 C ATOM 2160 CG2 VAL A 142 2.302 -47.949 21.391 1.00 0.00 C ATOM 2161 OXT VAL A 142 2.008 -48.912 25.642 1.00 0.00 O ATOM 0 H VAL A 142 3.752 -47.358 24.218 1.00 0.00 H new ATOM 0 HA VAL A 142 0.973 -46.710 23.457 1.00 0.00 H new ATOM 0 HB VAL A 142 2.520 -49.289 23.036 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.550 -49.990 21.736 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.145 -49.684 23.441 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.283 -48.486 22.197 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.363 -48.735 20.638 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.611 -47.176 21.054 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.290 -47.513 21.541 1.00 0.00 H new TER 2171 VAL A 142