USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 995 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 11 GLN : amide:sc= 0.313 K(o=0.71,f=-3.4!) USER MOD Set 1.2: A 121 GLN : amide:sc= 0.397 K(o=0.71,f=-4.3!) USER MOD Set 2.1: A 17 SER OG : rot 6:sc= 0.264 USER MOD Set 2.2: A 98 MET CE :methyl 156:sc= -0.213 (180deg=-1) USER MOD Set 3.1: A 59 THR OG1 : rot 180:sc= 1.11 USER MOD Set 3.2: A 109 LYS NZ :NH3+ -155:sc= 1.73 (180deg=0.698) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 77:sc= -0.184 USER MOD Single : A 16 THR OG1 : rot 90:sc= -0.0834 USER MOD Single : A 20 ASN : amide:sc= -0.772 K(o=-0.77,f=-3.5!) USER MOD Single : A 26 ASN : amide:sc= -0.0874 X(o=-0.087,f=-0.087) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.776 K(o=-0.78,f=-7.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.19) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.16) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= 1.96 (180deg=-0.47) USER MOD Single : A 50 MET CE :methyl 161:sc= -0.463 (180deg=-2.21) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= 0.167 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0.523 (180deg=0.142) USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= 0.204 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.63 X(o=-2.6,f=-2.3) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 0.857 (180deg=-0.436!) USER MOD Single : A 74 MET CE :methyl 170:sc= -0.746 (180deg=-0.927) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00225) USER MOD Single : A 77 SER OG : rot 51:sc= 0.315 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 84 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.32) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 105 SER OG : rot -170:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 44:sc= 0.43 USER MOD Single : A 122 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.454) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -19.939 10.342 0.657 1.00 0.00 N ATOM 34 CA ALA A 4 -19.356 9.027 0.912 1.00 0.00 C ATOM 35 C ALA A 4 -19.355 8.174 -0.361 1.00 0.00 C ATOM 36 O ALA A 4 -19.775 7.010 -0.349 1.00 0.00 O ATOM 37 CB ALA A 4 -20.023 8.349 2.112 1.00 0.00 C ATOM 0 HA ALA A 4 -18.309 9.152 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.568 7.372 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.889 8.967 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.088 8.225 1.914 1.00 0.00 H new ATOM 43 N LEU A 5 -18.954 8.785 -1.479 1.00 0.00 N ATOM 44 CA LEU A 5 -18.932 8.148 -2.787 1.00 0.00 C ATOM 45 C LEU A 5 -17.946 6.980 -2.717 1.00 0.00 C ATOM 46 O LEU A 5 -16.991 7.037 -1.934 1.00 0.00 O ATOM 47 CB LEU A 5 -18.483 9.153 -3.856 1.00 0.00 C ATOM 48 CG LEU A 5 -19.541 10.190 -4.214 1.00 0.00 C ATOM 49 CD1 LEU A 5 -18.887 11.417 -4.842 1.00 0.00 C ATOM 50 CD2 LEU A 5 -20.608 9.632 -5.151 1.00 0.00 C ATOM 0 H LEU A 5 -18.631 9.752 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.927 7.792 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.589 9.668 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.203 8.608 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.038 10.474 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.654 12.150 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.183 11.856 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.356 11.123 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.338 10.410 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.140 9.296 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -21.110 8.791 -4.672 1.00 0.00 H new ATOM 62 N PRO A 6 -18.173 5.926 -3.501 1.00 0.00 N ATOM 63 CA PRO A 6 -17.391 4.705 -3.458 1.00 0.00 C ATOM 64 C PRO A 6 -15.983 4.928 -3.985 1.00 0.00 C ATOM 65 O PRO A 6 -15.687 5.920 -4.647 1.00 0.00 O ATOM 66 CB PRO A 6 -18.164 3.711 -4.320 1.00 0.00 C ATOM 67 CG PRO A 6 -18.873 4.601 -5.333 1.00 0.00 C ATOM 68 CD PRO A 6 -19.160 5.886 -4.557 1.00 0.00 C ATOM 0 HA PRO A 6 -17.262 4.340 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.498 2.999 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.873 3.132 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.247 4.792 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.792 4.140 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.080 6.761 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.171 5.881 -4.150 1.00 0.00 H new ATOM 76 N LEU A 7 -15.117 3.968 -3.694 1.00 0.00 N ATOM 77 CA LEU A 7 -13.721 3.929 -4.084 1.00 0.00 C ATOM 78 C LEU A 7 -13.576 4.101 -5.601 1.00 0.00 C ATOM 79 O LEU A 7 -14.002 3.224 -6.352 1.00 0.00 O ATOM 80 CB LEU A 7 -13.156 2.599 -3.581 1.00 0.00 C ATOM 81 CG LEU A 7 -11.721 2.312 -4.037 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.733 3.136 -3.213 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.467 0.814 -3.879 1.00 0.00 C ATOM 0 H LEU A 7 -15.389 3.150 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.159 4.752 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.187 2.593 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.802 1.790 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.584 2.594 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.717 2.924 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.945 4.197 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.832 2.875 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.451 0.582 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.593 0.532 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.175 0.258 -4.493 1.00 0.00 H new ATOM 95 N TYR A 8 -12.961 5.198 -6.051 1.00 0.00 N ATOM 96 CA TYR A 8 -12.816 5.543 -7.468 1.00 0.00 C ATOM 97 C TYR A 8 -11.360 5.644 -7.947 1.00 0.00 C ATOM 98 O TYR A 8 -11.139 5.883 -9.136 1.00 0.00 O ATOM 99 CB TYR A 8 -13.648 6.797 -7.799 1.00 0.00 C ATOM 100 CG TYR A 8 -13.535 7.981 -6.851 1.00 0.00 C ATOM 101 CD1 TYR A 8 -12.342 8.725 -6.745 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.663 8.376 -6.108 1.00 0.00 C ATOM 103 CE1 TYR A 8 -12.279 9.838 -5.882 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.604 9.473 -5.234 1.00 0.00 C ATOM 105 CZ TYR A 8 -13.404 10.205 -5.108 1.00 0.00 C ATOM 106 OH TYR A 8 -13.331 11.256 -4.252 1.00 0.00 O ATOM 0 H TYR A 8 -12.541 5.886 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.217 4.706 -8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.366 7.135 -8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.696 6.503 -7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.476 8.442 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.587 7.827 -6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.367 10.413 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.474 9.756 -4.660 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.193 11.371 -3.801 1.00 0.00 H new ATOM 116 N TYR A 9 -10.371 5.431 -7.076 1.00 0.00 N ATOM 117 CA TYR A 9 -8.941 5.455 -7.386 1.00 0.00 C ATOM 118 C TYR A 9 -8.241 4.442 -6.508 1.00 0.00 C ATOM 119 O TYR A 9 -8.642 4.325 -5.348 1.00 0.00 O ATOM 120 CB TYR A 9 -8.384 6.827 -7.022 1.00 0.00 C ATOM 121 CG TYR A 9 -6.883 7.014 -7.181 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.311 7.218 -8.450 1.00 0.00 C ATOM 123 CD2 TYR A 9 -6.054 7.016 -6.041 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.931 7.466 -8.578 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.689 7.316 -6.156 1.00 0.00 C ATOM 126 CZ TYR A 9 -4.118 7.567 -7.424 1.00 0.00 C ATOM 127 OH TYR A 9 -2.795 7.894 -7.519 1.00 0.00 O ATOM 0 H TYR A 9 -10.554 5.228 -6.093 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.788 5.236 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.888 7.574 -7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.646 7.038 -5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.934 7.184 -9.331 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.473 6.785 -5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.492 7.579 -9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.071 7.355 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.399 7.917 -6.623 1.00 0.00 H new ATOM 137 N LEU A 10 -7.163 3.801 -6.981 1.00 0.00 N ATOM 138 CA LEU A 10 -6.338 2.979 -6.128 1.00 0.00 C ATOM 139 C LEU A 10 -4.890 3.252 -6.463 1.00 0.00 C ATOM 140 O LEU A 10 -4.507 3.315 -7.635 1.00 0.00 O ATOM 141 CB LEU A 10 -6.756 1.529 -6.349 1.00 0.00 C ATOM 142 CG LEU A 10 -6.413 0.400 -5.374 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.998 0.531 -4.824 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.302 0.228 -4.141 1.00 0.00 C ATOM 0 H LEU A 10 -6.854 3.845 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.463 3.201 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.842 1.533 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.349 1.235 -7.317 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.563 -0.466 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.797 -0.291 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.283 0.499 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.900 1.479 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.939 -0.609 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.275 1.139 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.327 0.031 -4.456 1.00 0.00 H new ATOM 156 N GLN A 11 -4.073 3.413 -5.429 1.00 0.00 N ATOM 157 CA GLN A 11 -2.641 3.495 -5.563 1.00 0.00 C ATOM 158 C GLN A 11 -1.982 3.036 -4.265 1.00 0.00 C ATOM 159 O GLN A 11 -2.503 3.266 -3.173 1.00 0.00 O ATOM 160 CB GLN A 11 -2.311 4.950 -5.896 1.00 0.00 C ATOM 161 CG GLN A 11 -0.928 5.184 -6.510 1.00 0.00 C ATOM 162 CD GLN A 11 -0.780 4.782 -7.979 1.00 0.00 C ATOM 163 OE1 GLN A 11 0.301 4.978 -8.526 1.00 0.00 O ATOM 164 NE2 GLN A 11 -1.776 4.213 -8.644 1.00 0.00 N ATOM 0 H GLN A 11 -4.400 3.490 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.263 2.847 -6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.065 5.327 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.390 5.541 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.682 6.242 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.192 4.632 -5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.672 4.053 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.647 3.935 -9.617 1.00 0.00 H new ATOM 173 N ILE A 12 -0.821 2.398 -4.406 1.00 0.00 N ATOM 174 CA ILE A 12 0.079 2.055 -3.301 1.00 0.00 C ATOM 175 C ILE A 12 0.730 3.293 -2.658 1.00 0.00 C ATOM 176 O ILE A 12 1.121 3.180 -1.508 1.00 0.00 O ATOM 177 CB ILE A 12 1.117 1.025 -3.815 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.427 -0.251 -4.342 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.191 0.569 -2.802 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.638 -0.864 -3.423 1.00 0.00 C ATOM 0 H ILE A 12 -0.469 2.097 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.499 1.604 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 12 1.630 1.581 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.037 -0.020 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.193 -1.003 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.858 -0.150 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.767 1.432 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.707 0.103 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.055 -1.754 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.184 -1.136 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.433 -0.138 -3.252 1.00 0.00 H new ATOM 192 N THR A 13 0.813 4.439 -3.349 1.00 0.00 N ATOM 193 CA THR A 13 1.150 5.801 -2.887 1.00 0.00 C ATOM 194 C THR A 13 2.490 6.016 -2.141 1.00 0.00 C ATOM 195 O THR A 13 3.245 6.913 -2.540 1.00 0.00 O ATOM 196 CB THR A 13 -0.075 6.396 -2.163 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.211 6.215 -2.983 1.00 0.00 O ATOM 198 CG2 THR A 13 0.055 7.879 -1.813 1.00 0.00 C ATOM 0 H THR A 13 0.627 4.439 -4.352 1.00 0.00 H new ATOM 0 HA THR A 13 1.373 6.365 -3.793 1.00 0.00 H new ATOM 0 HB THR A 13 -0.162 5.869 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.513 5.285 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.850 8.214 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.913 8.024 -1.156 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.195 8.457 -2.726 1.00 0.00 H new ATOM 206 N GLY A 14 2.841 5.248 -1.110 1.00 0.00 N ATOM 207 CA GLY A 14 4.126 5.307 -0.418 1.00 0.00 C ATOM 208 C GLY A 14 4.443 3.929 0.154 1.00 0.00 C ATOM 209 O GLY A 14 3.531 3.133 0.396 1.00 0.00 O ATOM 0 H GLY A 14 2.215 4.543 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.911 5.619 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.090 6.048 0.381 1.00 0.00 H new ATOM 213 N ILE A 15 5.721 3.635 0.386 1.00 0.00 N ATOM 214 CA ILE A 15 6.151 2.301 0.797 1.00 0.00 C ATOM 215 C ILE A 15 7.357 2.444 1.707 1.00 0.00 C ATOM 216 O ILE A 15 8.175 3.338 1.524 1.00 0.00 O ATOM 217 CB ILE A 15 6.449 1.425 -0.448 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.353 -0.079 -0.126 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.812 1.748 -1.099 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.409 -0.961 -1.386 1.00 0.00 C ATOM 0 H ILE A 15 6.481 4.309 0.295 1.00 0.00 H new ATOM 0 HA ILE A 15 5.360 1.795 1.350 1.00 0.00 H new ATOM 0 HB ILE A 15 5.676 1.674 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.168 -0.356 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.423 -0.273 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.964 1.103 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.826 2.791 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.610 1.578 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.337 -2.010 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.579 -0.707 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.351 -0.791 -1.908 1.00 0.00 H new ATOM 232 N THR A 16 7.501 1.528 2.643 1.00 0.00 N ATOM 233 CA THR A 16 8.733 1.333 3.377 1.00 0.00 C ATOM 234 C THR A 16 8.686 -0.096 3.913 1.00 0.00 C ATOM 235 O THR A 16 7.766 -0.876 3.642 1.00 0.00 O ATOM 236 CB THR A 16 8.922 2.446 4.435 1.00 0.00 C ATOM 237 OG1 THR A 16 10.160 2.287 5.104 1.00 0.00 O ATOM 238 CG2 THR A 16 7.821 2.501 5.502 1.00 0.00 C ATOM 0 H THR A 16 6.755 0.890 2.918 1.00 0.00 H new ATOM 0 HA THR A 16 9.625 1.429 2.758 1.00 0.00 H new ATOM 0 HB THR A 16 8.882 3.377 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.857 2.781 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.033 3.309 6.202 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.858 2.679 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.788 1.554 6.040 1.00 0.00 H new ATOM 246 N SER A 17 9.698 -0.486 4.668 1.00 0.00 N ATOM 247 CA SER A 17 9.688 -1.671 5.498 1.00 0.00 C ATOM 248 C SER A 17 10.452 -1.357 6.775 1.00 0.00 C ATOM 249 O SER A 17 11.021 -0.267 6.919 1.00 0.00 O ATOM 250 CB SER A 17 10.267 -2.833 4.697 1.00 0.00 C ATOM 251 OG SER A 17 9.347 -3.118 3.660 1.00 0.00 O ATOM 0 H SER A 17 10.575 0.032 4.720 1.00 0.00 H new ATOM 0 HA SER A 17 8.682 -1.970 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.242 -2.571 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.413 -3.706 5.334 1.00 0.00 H new ATOM 0 HG SER A 17 8.637 -2.443 3.658 1.00 0.00 H new ATOM 257 N ASP A 18 10.401 -2.281 7.725 1.00 0.00 N ATOM 258 CA ASP A 18 10.937 -2.091 9.066 1.00 0.00 C ATOM 259 C ASP A 18 12.457 -2.033 9.112 1.00 0.00 C ATOM 260 O ASP A 18 13.011 -1.417 10.021 1.00 0.00 O ATOM 261 CB ASP A 18 10.394 -3.163 10.005 1.00 0.00 C ATOM 262 CG ASP A 18 10.945 -4.585 9.847 1.00 0.00 C ATOM 263 OD1 ASP A 18 10.986 -5.109 8.706 1.00 0.00 O ATOM 264 OD2 ASP A 18 11.148 -5.221 10.908 1.00 0.00 O ATOM 0 H ASP A 18 9.979 -3.199 7.583 1.00 0.00 H new ATOM 0 HA ASP A 18 10.599 -1.112 9.404 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.583 -2.841 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.312 -3.205 9.878 1.00 0.00 H new ATOM 269 N GLY A 19 13.141 -2.545 8.089 1.00 0.00 N ATOM 270 CA GLY A 19 14.573 -2.369 7.916 1.00 0.00 C ATOM 271 C GLY A 19 14.931 -1.142 7.068 1.00 0.00 C ATOM 272 O GLY A 19 16.111 -0.960 6.763 1.00 0.00 O ATOM 0 H GLY A 19 12.706 -3.099 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.042 -2.276 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.989 -3.261 7.447 1.00 0.00 H new ATOM 276 N ASN A 20 13.961 -0.310 6.665 1.00 0.00 N ATOM 277 CA ASN A 20 14.180 0.827 5.763 1.00 0.00 C ATOM 278 C ASN A 20 14.139 2.174 6.479 1.00 0.00 C ATOM 279 O ASN A 20 13.971 3.210 5.842 1.00 0.00 O ATOM 280 CB ASN A 20 13.262 0.761 4.521 1.00 0.00 C ATOM 281 CG ASN A 20 14.071 0.430 3.270 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.024 -0.342 3.319 1.00 0.00 O ATOM 283 ND2 ASN A 20 13.733 0.972 2.118 1.00 0.00 N ATOM 0 H ASN A 20 12.990 -0.410 6.961 1.00 0.00 H new ATOM 0 HA ASN A 20 15.201 0.740 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.491 0.005 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.752 1.715 4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.262 0.749 1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.942 1.614 2.069 1.00 0.00 H new ATOM 290 N ASP A 21 14.288 2.188 7.804 1.00 0.00 N ATOM 291 CA ASP A 21 14.222 3.384 8.650 1.00 0.00 C ATOM 292 C ASP A 21 12.874 4.093 8.535 1.00 0.00 C ATOM 293 O ASP A 21 12.768 5.312 8.689 1.00 0.00 O ATOM 294 CB ASP A 21 15.388 4.340 8.368 1.00 0.00 C ATOM 295 CG ASP A 21 15.606 5.316 9.519 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.419 4.933 10.700 1.00 0.00 O ATOM 297 OD2 ASP A 21 16.045 6.458 9.265 1.00 0.00 O ATOM 0 H ASP A 21 14.464 1.337 8.338 1.00 0.00 H new ATOM 0 HA ASP A 21 14.318 3.048 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.299 3.765 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.190 4.896 7.452 1.00 0.00 H new ATOM 302 N PHE A 22 11.835 3.319 8.206 1.00 0.00 N ATOM 303 CA PHE A 22 10.484 3.797 7.969 1.00 0.00 C ATOM 304 C PHE A 22 10.458 4.895 6.881 1.00 0.00 C ATOM 305 O PHE A 22 9.503 5.673 6.841 1.00 0.00 O ATOM 306 CB PHE A 22 9.817 4.166 9.315 1.00 0.00 C ATOM 307 CG PHE A 22 9.643 2.987 10.274 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.758 2.393 10.904 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.359 2.467 10.534 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.605 1.260 11.721 1.00 0.00 C ATOM 311 CE2 PHE A 22 8.204 1.355 11.383 1.00 0.00 C ATOM 312 CZ PHE A 22 9.324 0.733 11.955 1.00 0.00 C ATOM 0 H PHE A 22 11.923 2.309 8.095 1.00 0.00 H new ATOM 0 HA PHE A 22 9.867 3.004 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.416 4.933 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.839 4.604 9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.741 2.815 10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.491 2.923 10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.471 0.795 12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.215 0.977 11.596 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.202 -0.145 12.571 1.00 0.00 H new ATOM 322 N ALA A 23 11.490 4.965 6.019 1.00 0.00 N ATOM 323 CA ALA A 23 11.636 5.884 4.895 1.00 0.00 C ATOM 324 C ALA A 23 10.531 5.652 3.865 1.00 0.00 C ATOM 325 O ALA A 23 10.668 4.817 2.973 1.00 0.00 O ATOM 326 CB ALA A 23 13.034 5.765 4.275 1.00 0.00 C ATOM 0 H ALA A 23 12.290 4.338 6.102 1.00 0.00 H new ATOM 0 HA ALA A 23 11.531 6.905 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.121 6.459 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.787 6.005 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.189 4.746 3.919 1.00 0.00 H new ATOM 332 N TRP A 24 9.425 6.374 4.027 1.00 0.00 N ATOM 333 CA TRP A 24 8.153 6.197 3.345 1.00 0.00 C ATOM 334 C TRP A 24 8.128 6.421 1.846 1.00 0.00 C ATOM 335 O TRP A 24 7.146 6.002 1.217 1.00 0.00 O ATOM 336 CB TRP A 24 7.174 7.170 4.002 1.00 0.00 C ATOM 337 CG TRP A 24 6.401 6.530 5.095 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.397 6.889 6.393 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.577 5.342 4.993 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.595 6.018 7.104 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.068 5.042 6.284 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.211 4.501 3.923 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.230 3.946 6.496 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.366 3.401 4.129 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.881 3.120 5.416 1.00 0.00 C ATOM 0 H TRP A 24 9.396 7.152 4.686 1.00 0.00 H new ATOM 0 HA TRP A 24 7.899 5.142 3.450 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.723 8.024 4.399 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.486 7.555 3.249 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.936 7.726 6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.416 6.087 8.106 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.586 4.706 2.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.852 3.735 7.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.088 2.770 3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.238 2.267 5.576 1.00 0.00 H new ATOM 356 N ASP A 25 9.152 7.086 1.324 1.00 0.00 N ATOM 357 CA ASP A 25 9.310 7.480 -0.073 1.00 0.00 C ATOM 358 C ASP A 25 8.031 8.107 -0.671 1.00 0.00 C ATOM 359 O ASP A 25 7.057 8.415 0.031 1.00 0.00 O ATOM 360 CB ASP A 25 9.845 6.260 -0.854 1.00 0.00 C ATOM 361 CG ASP A 25 11.374 6.208 -0.852 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.001 7.169 -1.346 1.00 0.00 O ATOM 363 OD2 ASP A 25 11.974 5.196 -0.418 1.00 0.00 O ATOM 0 H ASP A 25 9.941 7.383 1.898 1.00 0.00 H new ATOM 0 HA ASP A 25 10.038 8.287 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.450 5.345 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.484 6.300 -1.882 1.00 0.00 H new ATOM 368 N ASN A 26 8.018 8.372 -1.980 1.00 0.00 N ATOM 369 CA ASN A 26 6.839 8.824 -2.713 1.00 0.00 C ATOM 370 C ASN A 26 6.797 8.091 -4.042 1.00 0.00 C ATOM 371 O ASN A 26 7.624 8.328 -4.926 1.00 0.00 O ATOM 372 CB ASN A 26 6.875 10.348 -2.943 1.00 0.00 C ATOM 373 CG ASN A 26 7.085 11.112 -1.650 1.00 0.00 C ATOM 374 OD1 ASN A 26 8.162 11.652 -1.400 1.00 0.00 O ATOM 375 ND2 ASN A 26 6.099 11.133 -0.775 1.00 0.00 N ATOM 0 H ASN A 26 8.845 8.275 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 26 5.944 8.605 -2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.676 10.591 -3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.941 10.667 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.224 11.601 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.212 10.681 -0.996 1.00 0.00 H new ATOM 382 N LEU A 27 5.865 7.149 -4.186 1.00 0.00 N ATOM 383 CA LEU A 27 5.814 6.304 -5.373 1.00 0.00 C ATOM 384 C LEU A 27 5.395 7.141 -6.570 1.00 0.00 C ATOM 385 O LEU A 27 4.558 8.033 -6.449 1.00 0.00 O ATOM 386 CB LEU A 27 4.848 5.133 -5.185 1.00 0.00 C ATOM 387 CG LEU A 27 5.138 4.266 -3.950 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.342 2.966 -4.027 1.00 0.00 C ATOM 389 CD2 LEU A 27 6.604 3.950 -3.640 1.00 0.00 C ATOM 0 H LEU A 27 5.139 6.954 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 27 6.807 5.889 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.833 5.523 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.883 4.502 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 27 4.823 4.896 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.553 2.357 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.277 3.193 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.627 2.418 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.661 3.332 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.046 3.414 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.150 4.879 -3.475 1.00 0.00 H new ATOM 401 N THR A 28 5.983 6.865 -7.722 1.00 0.00 N ATOM 402 CA THR A 28 5.817 7.658 -8.933 1.00 0.00 C ATOM 403 C THR A 28 4.565 7.231 -9.712 1.00 0.00 C ATOM 404 O THR A 28 3.981 6.179 -9.435 1.00 0.00 O ATOM 405 CB THR A 28 7.119 7.598 -9.760 1.00 0.00 C ATOM 406 OG1 THR A 28 7.983 6.539 -9.372 1.00 0.00 O ATOM 407 CG2 THR A 28 7.892 8.899 -9.540 1.00 0.00 C ATOM 0 H THR A 28 6.604 6.065 -7.846 1.00 0.00 H new ATOM 0 HA THR A 28 5.645 8.703 -8.676 1.00 0.00 H new ATOM 0 HB THR A 28 6.825 7.441 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.788 6.552 -9.931 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.816 8.875 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.283 9.743 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.128 9.007 -8.481 1.00 0.00 H new ATOM 415 N SER A 29 4.126 8.065 -10.665 1.00 0.00 N ATOM 416 CA SER A 29 2.776 8.031 -11.236 1.00 0.00 C ATOM 417 C SER A 29 2.392 6.665 -11.801 1.00 0.00 C ATOM 418 O SER A 29 1.282 6.191 -11.546 1.00 0.00 O ATOM 419 CB SER A 29 2.630 9.111 -12.314 1.00 0.00 C ATOM 420 OG SER A 29 1.331 9.662 -12.285 1.00 0.00 O ATOM 0 H SER A 29 4.713 8.796 -11.067 1.00 0.00 H new ATOM 0 HA SER A 29 2.087 8.231 -10.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.369 9.896 -12.154 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.828 8.683 -13.296 1.00 0.00 H new ATOM 0 HG SER A 29 1.252 10.351 -12.977 1.00 0.00 H new ATOM 426 N SER A 30 3.301 6.017 -12.531 1.00 0.00 N ATOM 427 CA SER A 30 3.093 4.673 -13.038 1.00 0.00 C ATOM 428 C SER A 30 4.307 3.791 -12.721 1.00 0.00 C ATOM 429 O SER A 30 4.665 2.917 -13.513 1.00 0.00 O ATOM 430 CB SER A 30 2.687 4.722 -14.512 1.00 0.00 C ATOM 431 OG SER A 30 3.707 5.265 -15.320 1.00 0.00 O ATOM 0 H SER A 30 4.204 6.417 -12.785 1.00 0.00 H new ATOM 0 HA SER A 30 2.256 4.195 -12.529 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.448 3.716 -14.856 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.782 5.319 -14.620 1.00 0.00 H new ATOM 0 HG SER A 30 3.412 5.278 -16.254 1.00 0.00 H new ATOM 437 N GLN A 31 4.933 4.017 -11.556 1.00 0.00 N ATOM 438 CA GLN A 31 6.037 3.224 -11.016 1.00 0.00 C ATOM 439 C GLN A 31 5.720 1.733 -11.147 1.00 0.00 C ATOM 440 O GLN A 31 4.558 1.343 -10.978 1.00 0.00 O ATOM 441 CB GLN A 31 6.217 3.577 -9.530 1.00 0.00 C ATOM 442 CG GLN A 31 7.513 3.091 -8.894 1.00 0.00 C ATOM 443 CD GLN A 31 7.501 3.279 -7.379 1.00 0.00 C ATOM 444 OE1 GLN A 31 6.649 2.729 -6.699 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.395 4.070 -6.805 1.00 0.00 N ATOM 0 H GLN A 31 4.670 4.789 -10.943 1.00 0.00 H new ATOM 0 HA GLN A 31 6.950 3.443 -11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.164 4.660 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.379 3.160 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.661 2.037 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.355 3.635 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.107 4.530 -7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.371 4.219 -5.796 1.00 0.00 H new ATOM 454 N THR A 32 6.744 0.912 -11.392 1.00 0.00 N ATOM 455 CA THR A 32 6.615 -0.547 -11.391 1.00 0.00 C ATOM 456 C THR A 32 7.665 -1.236 -10.519 1.00 0.00 C ATOM 457 O THR A 32 7.585 -2.444 -10.321 1.00 0.00 O ATOM 458 CB THR A 32 6.580 -1.102 -12.824 1.00 0.00 C ATOM 459 OG1 THR A 32 7.696 -0.723 -13.610 1.00 0.00 O ATOM 460 CG2 THR A 32 5.328 -0.627 -13.553 1.00 0.00 C ATOM 0 H THR A 32 7.688 1.241 -11.597 1.00 0.00 H new ATOM 0 HA THR A 32 5.656 -0.782 -10.929 1.00 0.00 H new ATOM 0 HB THR A 32 6.592 -2.186 -12.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.611 -1.110 -14.506 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.322 -1.030 -14.566 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.443 -0.973 -13.019 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.323 0.462 -13.596 1.00 0.00 H new ATOM 468 N LYS A 33 8.610 -0.485 -9.941 1.00 0.00 N ATOM 469 CA LYS A 33 9.580 -1.005 -8.980 1.00 0.00 C ATOM 470 C LYS A 33 9.715 -0.054 -7.814 1.00 0.00 C ATOM 471 O LYS A 33 9.620 1.159 -7.991 1.00 0.00 O ATOM 472 CB LYS A 33 10.960 -1.212 -9.614 1.00 0.00 C ATOM 473 CG LYS A 33 11.015 -2.497 -10.453 1.00 0.00 C ATOM 474 CD LYS A 33 11.426 -2.227 -11.908 1.00 0.00 C ATOM 475 CE LYS A 33 12.867 -1.697 -11.969 1.00 0.00 C ATOM 476 NZ LYS A 33 13.301 -1.382 -13.344 1.00 0.00 N ATOM 0 H LYS A 33 8.721 0.511 -10.132 1.00 0.00 H new ATOM 0 HA LYS A 33 9.210 -1.972 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.203 -0.356 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.717 -1.256 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.722 -3.193 -10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.038 -2.980 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.344 -3.144 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.746 -1.502 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.946 -0.801 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.541 -2.439 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.279 -1.029 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.253 -2.241 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.677 -0.654 -13.747 1.00 0.00 H new ATOM 490 N ALA A 34 9.971 -0.621 -6.643 1.00 0.00 N ATOM 491 CA ALA A 34 10.157 0.090 -5.403 1.00 0.00 C ATOM 492 C ALA A 34 11.312 1.080 -5.560 1.00 0.00 C ATOM 493 O ALA A 34 12.183 0.893 -6.417 1.00 0.00 O ATOM 494 CB ALA A 34 10.428 -0.931 -4.286 1.00 0.00 C ATOM 0 H ALA A 34 10.057 -1.632 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 34 9.264 0.657 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.571 -0.407 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.580 -1.610 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.326 -1.501 -4.524 1.00 0.00 H new ATOM 500 N PRO A 35 11.365 2.114 -4.711 1.00 0.00 N ATOM 501 CA PRO A 35 12.471 3.053 -4.714 1.00 0.00 C ATOM 502 C PRO A 35 13.795 2.372 -4.390 1.00 0.00 C ATOM 503 O PRO A 35 14.834 2.815 -4.871 1.00 0.00 O ATOM 504 CB PRO A 35 12.146 4.096 -3.648 1.00 0.00 C ATOM 505 CG PRO A 35 11.084 3.426 -2.778 1.00 0.00 C ATOM 506 CD PRO A 35 10.373 2.470 -3.714 1.00 0.00 C ATOM 0 HA PRO A 35 12.586 3.498 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.029 4.359 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.772 5.018 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.535 2.897 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.394 4.159 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.015 1.589 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.503 2.940 -4.173 1.00 0.00 H new ATOM 514 N ASN A 36 13.752 1.331 -3.555 1.00 0.00 N ATOM 515 CA ASN A 36 14.909 0.729 -2.923 1.00 0.00 C ATOM 516 C ASN A 36 14.624 -0.734 -2.627 1.00 0.00 C ATOM 517 O ASN A 36 13.460 -1.142 -2.597 1.00 0.00 O ATOM 518 CB ASN A 36 15.178 1.462 -1.599 1.00 0.00 C ATOM 519 CG ASN A 36 16.578 2.028 -1.630 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.532 1.278 -1.461 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.709 3.320 -1.867 1.00 0.00 N ATOM 0 H ASN A 36 12.877 0.875 -3.297 1.00 0.00 H new ATOM 0 HA ASN A 36 15.773 0.804 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.451 2.262 -1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.067 0.776 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.638 3.738 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.881 3.901 -2.001 1.00 0.00 H new ATOM 528 N VAL A 37 15.666 -1.495 -2.306 1.00 0.00 N ATOM 529 CA VAL A 37 15.521 -2.718 -1.541 1.00 0.00 C ATOM 530 C VAL A 37 15.066 -2.381 -0.127 1.00 0.00 C ATOM 531 O VAL A 37 15.807 -1.804 0.671 1.00 0.00 O ATOM 532 CB VAL A 37 16.734 -3.637 -1.667 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.071 -2.973 -1.577 1.00 0.00 C ATOM 534 CG2 VAL A 37 16.678 -4.841 -0.736 1.00 0.00 C ATOM 0 H VAL A 37 16.627 -1.279 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 37 14.728 -3.334 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 37 16.648 -3.985 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.857 -3.722 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.166 -2.236 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.167 -2.477 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.570 -5.452 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.632 -4.499 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.792 -5.435 -0.962 1.00 0.00 H new ATOM 544 N LEU A 38 13.800 -2.693 0.133 1.00 0.00 N ATOM 545 CA LEU A 38 13.157 -2.569 1.422 1.00 0.00 C ATOM 546 C LEU A 38 13.713 -3.669 2.327 1.00 0.00 C ATOM 547 O LEU A 38 13.350 -4.837 2.195 1.00 0.00 O ATOM 548 CB LEU A 38 11.625 -2.628 1.285 1.00 0.00 C ATOM 549 CG LEU A 38 11.008 -1.862 0.103 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.497 -2.092 0.091 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.290 -0.357 0.194 1.00 0.00 C ATOM 0 H LEU A 38 13.173 -3.054 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 38 13.372 -1.599 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.331 -3.674 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.186 -2.244 2.206 1.00 0.00 H new ATOM 0 HG LEU A 38 11.460 -2.235 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.053 -1.551 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.292 -3.157 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.067 -1.732 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.838 0.150 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.866 0.037 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.367 -0.188 0.188 1.00 0.00 H new ATOM 563 N LYS A 39 14.647 -3.323 3.210 1.00 0.00 N ATOM 564 CA LYS A 39 15.208 -4.277 4.158 1.00 0.00 C ATOM 565 C LYS A 39 14.184 -4.634 5.236 1.00 0.00 C ATOM 566 O LYS A 39 13.208 -3.908 5.458 1.00 0.00 O ATOM 567 CB LYS A 39 16.509 -3.689 4.734 1.00 0.00 C ATOM 568 CG LYS A 39 17.681 -3.995 3.789 1.00 0.00 C ATOM 569 CD LYS A 39 18.771 -2.923 3.734 1.00 0.00 C ATOM 570 CE LYS A 39 18.515 -1.975 2.555 1.00 0.00 C ATOM 571 NZ LYS A 39 19.735 -1.239 2.168 1.00 0.00 N ATOM 0 H LYS A 39 15.032 -2.382 3.287 1.00 0.00 H new ATOM 0 HA LYS A 39 15.453 -5.214 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.406 -2.612 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.705 -4.111 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.136 -4.937 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.287 -4.142 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.787 -2.360 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.749 -3.392 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.149 -2.547 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.732 -1.265 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.522 -0.609 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.070 -0.674 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.474 -1.915 1.888 1.00 0.00 H new ATOM 585 N GLY A 40 14.459 -5.714 5.969 1.00 0.00 N ATOM 586 CA GLY A 40 13.583 -6.232 7.010 1.00 0.00 C ATOM 587 C GLY A 40 12.657 -7.312 6.449 1.00 0.00 C ATOM 588 O GLY A 40 13.015 -8.014 5.500 1.00 0.00 O ATOM 0 H GLY A 40 15.313 -6.260 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.180 -6.645 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.990 -5.420 7.431 1.00 0.00 H new ATOM 592 N ASN A 41 11.485 -7.486 7.066 1.00 0.00 N ATOM 593 CA ASN A 41 10.433 -8.422 6.624 1.00 0.00 C ATOM 594 C ASN A 41 9.050 -7.774 6.623 1.00 0.00 C ATOM 595 O ASN A 41 8.122 -8.306 6.009 1.00 0.00 O ATOM 596 CB ASN A 41 10.406 -9.679 7.512 1.00 0.00 C ATOM 597 CG ASN A 41 9.256 -10.644 7.190 1.00 0.00 C ATOM 598 OD1 ASN A 41 9.255 -11.326 6.170 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.249 -10.763 8.043 1.00 0.00 N ATOM 0 H ASN A 41 11.230 -6.970 7.908 1.00 0.00 H new ATOM 0 HA ASN A 41 10.679 -8.705 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.353 -10.209 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.329 -9.373 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.489 -11.414 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.234 -10.204 8.896 1.00 0.00 H new ATOM 606 N LYS A 42 8.876 -6.662 7.335 1.00 0.00 N ATOM 607 CA LYS A 42 7.558 -6.132 7.620 1.00 0.00 C ATOM 608 C LYS A 42 7.300 -5.030 6.615 1.00 0.00 C ATOM 609 O LYS A 42 7.900 -3.959 6.693 1.00 0.00 O ATOM 610 CB LYS A 42 7.470 -5.650 9.068 1.00 0.00 C ATOM 611 CG LYS A 42 7.479 -6.772 10.118 1.00 0.00 C ATOM 612 CD LYS A 42 8.821 -7.499 10.294 1.00 0.00 C ATOM 613 CE LYS A 42 9.217 -7.699 11.760 1.00 0.00 C ATOM 614 NZ LYS A 42 10.691 -7.736 11.928 1.00 0.00 N ATOM 0 H LYS A 42 9.642 -6.112 7.724 1.00 0.00 H new ATOM 0 HA LYS A 42 6.788 -6.897 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.306 -4.979 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.558 -5.066 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.185 -6.350 11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.720 -7.506 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.766 -8.471 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.602 -6.931 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.802 -6.891 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.785 -8.628 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.922 -7.890 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.086 -8.511 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.099 -6.833 11.613 1.00 0.00 H new ATOM 628 N LEU A 43 6.484 -5.354 5.621 1.00 0.00 N ATOM 629 CA LEU A 43 6.185 -4.523 4.473 1.00 0.00 C ATOM 630 C LEU A 43 5.089 -3.539 4.882 1.00 0.00 C ATOM 631 O LEU A 43 3.956 -3.926 5.192 1.00 0.00 O ATOM 632 CB LEU A 43 5.762 -5.407 3.285 1.00 0.00 C ATOM 633 CG LEU A 43 5.898 -4.776 1.884 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.727 -3.261 1.818 1.00 0.00 C ATOM 635 CD2 LEU A 43 7.255 -5.084 1.254 1.00 0.00 C ATOM 0 H LEU A 43 5.991 -6.247 5.597 1.00 0.00 H new ATOM 0 HA LEU A 43 7.061 -3.961 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.357 -6.320 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.722 -5.700 3.429 1.00 0.00 H new ATOM 0 HG LEU A 43 5.072 -5.235 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.843 -2.926 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.734 -2.991 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.482 -2.782 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.312 -4.622 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.049 -4.687 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.374 -6.163 1.157 1.00 0.00 H new ATOM 647 N TYR A 44 5.407 -2.249 4.865 1.00 0.00 N ATOM 648 CA TYR A 44 4.503 -1.178 5.241 1.00 0.00 C ATOM 649 C TYR A 44 4.135 -0.395 3.988 1.00 0.00 C ATOM 650 O TYR A 44 4.959 0.331 3.437 1.00 0.00 O ATOM 651 CB TYR A 44 5.151 -0.301 6.318 1.00 0.00 C ATOM 652 CG TYR A 44 5.518 -1.039 7.593 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.578 -1.856 8.255 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.812 -0.899 8.121 1.00 0.00 C ATOM 655 CE1 TYR A 44 4.943 -2.565 9.415 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.171 -1.564 9.304 1.00 0.00 C ATOM 657 CZ TYR A 44 6.248 -2.424 9.946 1.00 0.00 C ATOM 658 OH TYR A 44 6.574 -3.093 11.084 1.00 0.00 O ATOM 0 H TYR A 44 6.328 -1.915 4.581 1.00 0.00 H new ATOM 0 HA TYR A 44 3.585 -1.576 5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.051 0.155 5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.468 0.511 6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.572 -1.938 7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.535 -0.276 7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.229 -3.215 9.899 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.155 -1.419 9.726 1.00 0.00 H new ATOM 0 HH TYR A 44 7.504 -2.897 11.324 1.00 0.00 H new ATOM 668 N VAL A 45 2.900 -0.557 3.519 1.00 0.00 N ATOM 669 CA VAL A 45 2.330 0.280 2.469 1.00 0.00 C ATOM 670 C VAL A 45 1.566 1.434 3.138 1.00 0.00 C ATOM 671 O VAL A 45 1.068 1.272 4.263 1.00 0.00 O ATOM 672 CB VAL A 45 1.429 -0.576 1.551 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.880 0.268 0.406 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.171 -1.788 0.966 1.00 0.00 C ATOM 0 H VAL A 45 2.264 -1.278 3.860 1.00 0.00 H new ATOM 0 HA VAL A 45 3.108 0.706 1.836 1.00 0.00 H new ATOM 0 HB VAL A 45 0.613 -0.945 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.248 -0.350 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.292 1.092 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.707 0.667 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.494 -2.356 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.021 -1.444 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.525 -2.424 1.777 1.00 0.00 H new ATOM 684 N LYS A 46 1.446 2.566 2.435 1.00 0.00 N ATOM 685 CA LYS A 46 0.595 3.708 2.751 1.00 0.00 C ATOM 686 C LYS A 46 -0.256 3.967 1.504 1.00 0.00 C ATOM 687 O LYS A 46 0.241 4.650 0.618 1.00 0.00 O ATOM 688 CB LYS A 46 1.486 4.920 3.095 1.00 0.00 C ATOM 689 CG LYS A 46 0.684 6.190 3.415 1.00 0.00 C ATOM 690 CD LYS A 46 1.462 7.507 3.416 1.00 0.00 C ATOM 691 CE LYS A 46 2.796 7.420 4.155 1.00 0.00 C ATOM 692 NZ LYS A 46 3.935 7.280 3.230 1.00 0.00 N ATOM 0 H LYS A 46 1.976 2.713 1.576 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.049 3.525 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.114 4.670 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.154 5.121 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.126 6.273 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.224 6.065 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.644 7.814 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.850 8.282 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.932 8.314 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.777 6.570 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.595 6.565 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.589 6.983 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.426 8.193 3.144 1.00 0.00 H new ATOM 706 N ALA A 47 -1.450 3.373 1.385 1.00 0.00 N ATOM 707 CA ALA A 47 -2.208 3.305 0.134 1.00 0.00 C ATOM 708 C ALA A 47 -3.413 4.265 0.143 1.00 0.00 C ATOM 709 O ALA A 47 -4.237 4.226 1.062 1.00 0.00 O ATOM 710 CB ALA A 47 -2.615 1.839 -0.117 1.00 0.00 C ATOM 0 H ALA A 47 -1.922 2.920 2.168 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.581 3.638 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.181 1.772 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.720 1.221 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.232 1.486 0.709 1.00 0.00 H new ATOM 716 N ARG A 48 -3.584 5.069 -0.919 1.00 0.00 N ATOM 717 CA ARG A 48 -4.574 6.150 -0.987 1.00 0.00 C ATOM 718 C ARG A 48 -5.924 5.639 -1.494 1.00 0.00 C ATOM 719 O ARG A 48 -6.087 5.437 -2.701 1.00 0.00 O ATOM 720 CB ARG A 48 -4.009 7.259 -1.889 1.00 0.00 C ATOM 721 CG ARG A 48 -4.947 8.459 -2.120 1.00 0.00 C ATOM 722 CD ARG A 48 -4.346 9.788 -1.632 1.00 0.00 C ATOM 723 NE ARG A 48 -3.080 10.173 -2.267 1.00 0.00 N ATOM 724 CZ ARG A 48 -2.884 10.818 -3.419 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.849 10.925 -4.335 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.693 11.365 -3.629 1.00 0.00 N ATOM 0 H ARG A 48 -3.026 4.982 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.757 6.550 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.080 7.624 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.756 6.825 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.174 8.537 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.891 8.281 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.074 10.581 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.189 9.723 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.235 9.912 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.764 10.508 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.672 11.424 -5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.963 11.285 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.508 11.866 -4.498 1.00 0.00 H new ATOM 740 N PHE A 49 -6.911 5.476 -0.612 1.00 0.00 N ATOM 741 CA PHE A 49 -8.266 5.037 -0.963 1.00 0.00 C ATOM 742 C PHE A 49 -9.165 6.249 -1.127 1.00 0.00 C ATOM 743 O PHE A 49 -9.708 6.743 -0.137 1.00 0.00 O ATOM 744 CB PHE A 49 -8.799 3.971 0.015 1.00 0.00 C ATOM 745 CG PHE A 49 -7.971 2.698 0.084 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.900 2.670 0.988 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.219 1.561 -0.724 1.00 0.00 C ATOM 748 CE1 PHE A 49 -6.097 1.531 1.113 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.450 0.397 -0.549 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.392 0.377 0.369 1.00 0.00 C ATOM 0 H PHE A 49 -6.791 5.648 0.386 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.248 4.526 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.852 4.408 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.817 3.710 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.692 3.538 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.997 1.588 -1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.249 1.539 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.676 -0.487 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.807 -0.521 0.504 1.00 0.00 H new ATOM 760 N MET A 50 -9.257 6.762 -2.363 1.00 0.00 N ATOM 761 CA MET A 50 -10.124 7.882 -2.704 1.00 0.00 C ATOM 762 C MET A 50 -11.517 7.297 -2.893 1.00 0.00 C ATOM 763 O MET A 50 -11.751 6.579 -3.863 1.00 0.00 O ATOM 764 CB MET A 50 -9.707 8.644 -3.978 1.00 0.00 C ATOM 765 CG MET A 50 -8.205 8.885 -4.160 1.00 0.00 C ATOM 766 SD MET A 50 -7.530 10.475 -3.618 1.00 0.00 S ATOM 767 CE MET A 50 -8.146 10.467 -1.923 1.00 0.00 C ATOM 0 H MET A 50 -8.724 6.403 -3.155 1.00 0.00 H new ATOM 0 HA MET A 50 -10.069 8.619 -1.903 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.073 8.091 -4.843 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.212 9.610 -3.980 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.673 8.097 -3.627 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.973 8.767 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.574 11.176 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.198 10.753 -1.917 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.039 9.467 -1.502 1.00 0.00 H new ATOM 777 N GLY A 51 -12.406 7.570 -1.953 1.00 0.00 N ATOM 778 CA GLY A 51 -13.769 7.047 -1.923 1.00 0.00 C ATOM 779 C GLY A 51 -13.885 5.795 -1.044 1.00 0.00 C ATOM 780 O GLY A 51 -12.895 5.098 -0.808 1.00 0.00 O ATOM 0 H GLY A 51 -12.196 8.180 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.444 7.816 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.088 6.809 -2.938 1.00 0.00 H new ATOM 784 N TYR A 52 -15.078 5.509 -0.515 1.00 0.00 N ATOM 785 CA TYR A 52 -15.306 4.498 0.514 1.00 0.00 C ATOM 786 C TYR A 52 -15.106 3.068 0.000 1.00 0.00 C ATOM 787 O TYR A 52 -15.616 2.687 -1.057 1.00 0.00 O ATOM 788 CB TYR A 52 -16.719 4.660 1.106 1.00 0.00 C ATOM 789 CG TYR A 52 -16.742 5.045 2.574 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.495 4.091 3.587 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.060 6.366 2.927 1.00 0.00 C ATOM 792 CE1 TYR A 52 -16.549 4.471 4.944 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.122 6.749 4.276 1.00 0.00 C ATOM 794 CZ TYR A 52 -16.853 5.809 5.296 1.00 0.00 C ATOM 795 OH TYR A 52 -16.909 6.218 6.594 1.00 0.00 O ATOM 0 H TYR A 52 -15.932 5.988 -0.800 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.559 4.659 1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.254 5.419 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.262 3.724 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.265 3.070 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.259 7.094 2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -16.358 3.741 5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.376 7.766 4.535 1.00 0.00 H new ATOM 0 HH TYR A 52 -17.131 7.172 6.627 1.00 0.00 H new ATOM 805 N THR A 53 -14.432 2.260 0.814 1.00 0.00 N ATOM 806 CA THR A 53 -14.372 0.807 0.734 1.00 0.00 C ATOM 807 C THR A 53 -14.074 0.279 2.135 1.00 0.00 C ATOM 808 O THR A 53 -13.535 1.006 2.979 1.00 0.00 O ATOM 809 CB THR A 53 -13.340 0.359 -0.331 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.145 -1.044 -0.296 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.981 1.046 -0.156 1.00 0.00 C ATOM 0 H THR A 53 -13.882 2.625 1.591 1.00 0.00 H new ATOM 0 HA THR A 53 -15.322 0.387 0.404 1.00 0.00 H new ATOM 0 HB THR A 53 -13.757 0.654 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.072 -1.387 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.295 0.697 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.105 2.125 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.575 0.805 0.827 1.00 0.00 H new ATOM 819 N LYS A 54 -14.388 -0.999 2.348 1.00 0.00 N ATOM 820 CA LYS A 54 -13.970 -1.816 3.483 1.00 0.00 C ATOM 821 C LYS A 54 -13.760 -3.269 3.029 1.00 0.00 C ATOM 822 O LYS A 54 -13.941 -4.207 3.809 1.00 0.00 O ATOM 823 CB LYS A 54 -14.982 -1.643 4.643 1.00 0.00 C ATOM 824 CG LYS A 54 -14.448 -0.724 5.761 1.00 0.00 C ATOM 825 CD LYS A 54 -14.025 -1.506 7.014 1.00 0.00 C ATOM 826 CE LYS A 54 -15.265 -1.858 7.846 1.00 0.00 C ATOM 827 NZ LYS A 54 -14.965 -2.744 8.992 1.00 0.00 N ATOM 0 H LYS A 54 -14.974 -1.519 1.695 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.006 -1.487 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.912 -1.230 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.219 -2.621 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.596 -0.158 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.217 -0.001 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.498 -2.416 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.332 -0.911 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.720 -0.939 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.000 -2.342 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.842 -2.945 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.557 -3.635 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.285 -2.275 9.624 1.00 0.00 H new ATOM 841 N LEU A 55 -13.438 -3.471 1.748 1.00 0.00 N ATOM 842 CA LEU A 55 -13.226 -4.769 1.136 1.00 0.00 C ATOM 843 C LEU A 55 -11.887 -4.716 0.417 1.00 0.00 C ATOM 844 O LEU A 55 -11.832 -4.568 -0.803 1.00 0.00 O ATOM 845 CB LEU A 55 -14.356 -5.136 0.165 1.00 0.00 C ATOM 846 CG LEU A 55 -15.783 -5.238 0.736 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.505 -3.878 0.717 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.561 -6.255 -0.102 1.00 0.00 C ATOM 0 H LEU A 55 -13.315 -2.700 1.091 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.224 -5.544 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.366 -4.395 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.108 -6.094 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.726 -5.557 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.508 -3.993 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.946 -3.161 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.572 -3.516 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.576 -6.344 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.595 -5.922 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.066 -7.225 -0.049 1.00 0.00 H new ATOM 860 N THR A 56 -10.796 -4.779 1.169 1.00 0.00 N ATOM 861 CA THR A 56 -9.456 -4.887 0.612 1.00 0.00 C ATOM 862 C THR A 56 -9.196 -6.372 0.330 1.00 0.00 C ATOM 863 O THR A 56 -9.745 -7.236 1.019 1.00 0.00 O ATOM 864 CB THR A 56 -8.450 -4.316 1.631 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.899 -3.084 2.164 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.077 -4.053 1.011 1.00 0.00 C ATOM 0 H THR A 56 -10.817 -4.756 2.189 1.00 0.00 H new ATOM 0 HA THR A 56 -9.350 -4.323 -0.315 1.00 0.00 H new ATOM 0 HB THR A 56 -8.369 -5.074 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.242 -2.747 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.406 -3.652 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.669 -4.986 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.177 -3.334 0.198 1.00 0.00 H new ATOM 874 N VAL A 57 -8.323 -6.696 -0.625 1.00 0.00 N ATOM 875 CA VAL A 57 -7.769 -8.035 -0.797 1.00 0.00 C ATOM 876 C VAL A 57 -6.290 -7.870 -1.164 1.00 0.00 C ATOM 877 O VAL A 57 -5.907 -7.027 -1.986 1.00 0.00 O ATOM 878 CB VAL A 57 -8.562 -8.825 -1.870 1.00 0.00 C ATOM 879 CG1 VAL A 57 -7.974 -10.228 -2.106 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.056 -8.956 -1.543 1.00 0.00 C ATOM 0 H VAL A 57 -7.977 -6.024 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.852 -8.617 0.121 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.465 -8.235 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.561 -10.745 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.942 -10.138 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.003 -10.796 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.553 -9.519 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.176 -9.479 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.501 -7.964 -1.470 1.00 0.00 H new ATOM 890 N ILE A 58 -5.436 -8.691 -0.564 1.00 0.00 N ATOM 891 CA ILE A 58 -3.989 -8.704 -0.734 1.00 0.00 C ATOM 892 C ILE A 58 -3.701 -10.183 -0.977 1.00 0.00 C ATOM 893 O ILE A 58 -3.950 -10.978 -0.082 1.00 0.00 O ATOM 894 CB ILE A 58 -3.292 -8.125 0.524 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.866 -6.743 0.928 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.777 -8.044 0.277 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.256 -6.152 2.206 1.00 0.00 C ATOM 0 H ILE A 58 -5.753 -9.406 0.091 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.614 -8.083 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.487 -8.796 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.708 -6.043 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.943 -6.836 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.286 -7.637 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.388 -9.041 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.582 -7.396 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.715 -5.185 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.437 -6.828 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.182 -6.022 2.070 1.00 0.00 H new ATOM 909 N THR A 59 -3.374 -10.576 -2.205 1.00 0.00 N ATOM 910 CA THR A 59 -3.595 -11.929 -2.697 1.00 0.00 C ATOM 911 C THR A 59 -2.518 -12.940 -2.295 1.00 0.00 C ATOM 912 O THR A 59 -2.692 -14.140 -2.488 1.00 0.00 O ATOM 913 CB THR A 59 -3.754 -11.898 -4.232 1.00 0.00 C ATOM 914 OG1 THR A 59 -3.631 -10.595 -4.780 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.153 -12.349 -4.604 1.00 0.00 C ATOM 0 H THR A 59 -2.944 -9.957 -2.892 1.00 0.00 H new ATOM 0 HA THR A 59 -4.509 -12.280 -2.218 1.00 0.00 H new ATOM 0 HB THR A 59 -2.967 -12.543 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.739 -10.638 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.266 -12.327 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.316 -13.364 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.884 -11.680 -4.150 1.00 0.00 H new ATOM 923 N GLY A 60 -1.394 -12.456 -1.784 1.00 0.00 N ATOM 924 CA GLY A 60 -0.245 -13.251 -1.383 1.00 0.00 C ATOM 925 C GLY A 60 0.156 -14.235 -2.468 1.00 0.00 C ATOM 926 O GLY A 60 0.104 -13.885 -3.651 1.00 0.00 O ATOM 0 H GLY A 60 -1.254 -11.457 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.594 -12.593 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.478 -13.793 -0.467 1.00 0.00 H new ATOM 930 N LYS A 61 0.625 -15.416 -2.061 1.00 0.00 N ATOM 931 CA LYS A 61 1.047 -16.497 -2.942 1.00 0.00 C ATOM 932 C LYS A 61 -0.162 -17.083 -3.644 1.00 0.00 C ATOM 933 O LYS A 61 -0.389 -16.786 -4.815 1.00 0.00 O ATOM 934 CB LYS A 61 1.837 -17.555 -2.143 1.00 0.00 C ATOM 935 CG LYS A 61 3.241 -17.054 -1.789 1.00 0.00 C ATOM 936 CD LYS A 61 3.948 -17.879 -0.719 1.00 0.00 C ATOM 937 CE LYS A 61 5.071 -17.068 -0.076 1.00 0.00 C ATOM 938 NZ LYS A 61 6.301 -16.992 -0.882 1.00 0.00 N ATOM 0 H LYS A 61 0.723 -15.650 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 61 1.718 -16.112 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.296 -17.802 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.913 -18.472 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.852 -17.051 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.171 -16.021 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.232 -18.188 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.355 -18.788 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.711 -16.057 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.312 -17.507 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.124 -16.905 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.394 -17.854 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.255 -16.163 -1.508 1.00 0.00 H new ATOM 952 N ASP A 62 -0.923 -17.905 -2.931 1.00 0.00 N ATOM 953 CA ASP A 62 -1.932 -18.802 -3.489 1.00 0.00 C ATOM 954 C ASP A 62 -3.282 -18.101 -3.661 1.00 0.00 C ATOM 955 O ASP A 62 -4.339 -18.705 -3.486 1.00 0.00 O ATOM 956 CB ASP A 62 -2.022 -20.033 -2.579 1.00 0.00 C ATOM 957 CG ASP A 62 -2.942 -21.138 -3.112 1.00 0.00 C ATOM 958 OD1 ASP A 62 -2.990 -21.347 -4.350 1.00 0.00 O ATOM 959 OD2 ASP A 62 -3.518 -21.866 -2.276 1.00 0.00 O ATOM 0 H ASP A 62 -0.854 -17.969 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.642 -19.115 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.022 -20.443 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.378 -19.721 -1.597 1.00 0.00 H new ATOM 964 N GLY A 63 -3.288 -16.789 -3.905 1.00 0.00 N ATOM 965 CA GLY A 63 -4.522 -16.014 -3.953 1.00 0.00 C ATOM 966 C GLY A 63 -5.142 -15.823 -2.561 1.00 0.00 C ATOM 967 O GLY A 63 -6.246 -15.296 -2.443 1.00 0.00 O ATOM 0 H GLY A 63 -2.444 -16.241 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.319 -15.039 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.239 -16.516 -4.602 1.00 0.00 H new ATOM 971 N LYS A 64 -4.462 -16.283 -1.506 1.00 0.00 N ATOM 972 CA LYS A 64 -4.927 -16.257 -0.130 1.00 0.00 C ATOM 973 C LYS A 64 -4.916 -14.819 0.358 1.00 0.00 C ATOM 974 O LYS A 64 -3.860 -14.192 0.401 1.00 0.00 O ATOM 975 CB LYS A 64 -4.068 -17.187 0.742 1.00 0.00 C ATOM 976 CG LYS A 64 -4.417 -18.637 0.381 1.00 0.00 C ATOM 977 CD LYS A 64 -3.585 -19.697 1.105 1.00 0.00 C ATOM 978 CE LYS A 64 -4.161 -21.048 0.665 1.00 0.00 C ATOM 979 NZ LYS A 64 -3.185 -22.150 0.696 1.00 0.00 N ATOM 0 H LYS A 64 -3.535 -16.699 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.949 -16.631 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.008 -16.997 0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.259 -17.001 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.470 -18.808 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.292 -18.769 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.531 -19.616 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.652 -19.576 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.001 -21.302 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.554 -20.952 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.943 -22.427 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.325 -21.838 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.596 -22.964 1.195 1.00 0.00 H new ATOM 993 N ASN A 65 -6.093 -14.296 0.701 1.00 0.00 N ATOM 994 CA ASN A 65 -6.294 -12.943 1.206 1.00 0.00 C ATOM 995 C ASN A 65 -5.454 -12.733 2.461 1.00 0.00 C ATOM 996 O ASN A 65 -5.928 -13.005 3.555 1.00 0.00 O ATOM 997 CB ASN A 65 -7.789 -12.711 1.528 1.00 0.00 C ATOM 998 CG ASN A 65 -8.169 -11.250 1.682 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.051 -10.750 1.014 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.544 -10.493 2.556 1.00 0.00 N ATOM 0 H ASN A 65 -6.963 -14.824 0.631 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.984 -12.229 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.393 -13.151 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.038 -13.239 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.804 -9.512 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.799 -10.886 3.131 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.234 -12.205 2.361 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.310 -12.072 3.488 1.00 0.00 C ATOM 1009 C LEU A 66 -3.935 -11.305 4.645 1.00 0.00 C ATOM 1010 O LEU A 66 -3.702 -11.643 5.804 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.001 -11.397 3.062 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.216 -12.179 1.998 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.121 -11.467 1.769 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.938 -13.629 2.410 1.00 0.00 C ATOM 0 H LEU A 66 -3.854 -11.853 1.482 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.087 -13.083 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.225 -10.402 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.370 -11.264 3.940 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.822 -12.210 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.696 -12.006 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.063 -10.449 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.683 -11.439 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.381 -14.131 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.353 -13.640 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.882 -14.148 2.574 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.759 -10.307 4.313 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.474 -9.454 5.255 1.00 0.00 C ATOM 1028 C LEU A 67 -6.597 -10.194 6.011 1.00 0.00 C ATOM 1029 O LEU A 67 -7.184 -9.623 6.931 1.00 0.00 O ATOM 1030 CB LEU A 67 -5.998 -8.233 4.474 1.00 0.00 C ATOM 1031 CG LEU A 67 -6.250 -6.971 5.312 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -4.951 -6.292 5.745 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -7.029 -5.977 4.450 1.00 0.00 C ATOM 0 H LEU A 67 -4.951 -10.065 3.341 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.790 -9.131 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.281 -7.990 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.929 -8.512 3.980 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.797 -7.266 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.183 -5.405 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.362 -6.984 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.380 -6.002 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.221 -5.070 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.445 -5.729 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.977 -6.422 4.148 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.911 -11.441 5.635 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.802 -12.350 6.346 1.00 0.00 C ATOM 1047 C TYR A 68 -7.141 -13.728 6.535 1.00 0.00 C ATOM 1048 O TYR A 68 -7.811 -14.731 6.791 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.124 -12.443 5.564 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.298 -12.814 6.444 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.733 -11.896 7.419 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -10.921 -14.074 6.338 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.786 -12.227 8.284 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -11.983 -14.409 7.202 1.00 0.00 C ATOM 1055 CZ TYR A 68 -12.418 -13.485 8.180 1.00 0.00 C ATOM 1056 OH TYR A 68 -13.454 -13.796 9.007 1.00 0.00 O ATOM 0 H TYR A 68 -6.529 -11.857 4.786 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.010 -11.970 7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.324 -11.486 5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.021 -13.184 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.253 -10.932 7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.585 -14.782 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.114 -11.519 9.031 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.465 -15.372 7.117 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.776 -14.699 8.803 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.825 -13.818 6.310 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.093 -15.073 6.365 1.00 0.00 C ATOM 1068 C ASN A 69 -4.624 -15.304 7.795 1.00 0.00 C ATOM 1069 O ASN A 69 -4.935 -16.344 8.383 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.927 -15.085 5.379 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.267 -16.450 5.365 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -3.894 -17.451 5.034 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -1.989 -16.510 5.675 1.00 0.00 N ATOM 0 H ASN A 69 -5.241 -13.013 6.084 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.752 -15.889 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.284 -14.835 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.198 -14.324 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.498 -17.403 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.490 -15.663 5.947 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.923 -14.304 8.344 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.527 -14.251 9.741 1.00 0.00 C ATOM 1082 C GLY A 70 -2.447 -13.207 10.038 1.00 0.00 C ATOM 1083 O GLY A 70 -2.349 -12.767 11.180 1.00 0.00 O ATOM 0 H GLY A 70 -3.612 -13.493 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.405 -14.035 10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.163 -15.233 10.043 1.00 0.00 H new ATOM 1087 N THR A 71 -1.639 -12.795 9.054 1.00 0.00 N ATOM 1088 CA THR A 71 -0.485 -11.928 9.312 1.00 0.00 C ATOM 1089 C THR A 71 -0.812 -10.468 9.007 1.00 0.00 C ATOM 1090 O THR A 71 -0.710 -9.623 9.890 1.00 0.00 O ATOM 1091 CB THR A 71 0.736 -12.405 8.507 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.811 -13.820 8.497 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.064 -11.830 9.008 1.00 0.00 C ATOM 0 H THR A 71 -1.763 -13.048 8.074 1.00 0.00 H new ATOM 0 HA THR A 71 -0.240 -11.993 10.372 1.00 0.00 H new ATOM 0 HB THR A 71 0.584 -12.029 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.593 -14.102 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.880 -12.210 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.037 -10.742 8.943 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.222 -12.128 10.045 1.00 0.00 H new ATOM 1101 N ALA A 72 -1.157 -10.159 7.750 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.384 -8.779 7.368 1.00 0.00 C ATOM 1103 C ALA A 72 -2.665 -8.307 8.039 1.00 0.00 C ATOM 1104 O ALA A 72 -3.674 -9.012 8.066 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.494 -8.659 5.843 1.00 0.00 C ATOM 0 H ALA A 72 -1.281 -10.839 7.000 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.548 -8.157 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.664 -7.617 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.569 -9.007 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.327 -9.267 5.489 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.640 -7.072 8.517 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.784 -6.368 9.067 1.00 0.00 C ATOM 1113 C LYS A 73 -3.600 -4.895 8.751 1.00 0.00 C ATOM 1114 O LYS A 73 -2.541 -4.487 8.251 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.924 -6.655 10.577 1.00 0.00 C ATOM 1116 CG LYS A 73 -2.611 -6.596 11.367 1.00 0.00 C ATOM 1117 CD LYS A 73 -2.707 -7.152 12.792 1.00 0.00 C ATOM 1118 CE LYS A 73 -2.903 -6.071 13.867 1.00 0.00 C ATOM 1119 NZ LYS A 73 -1.636 -5.373 14.176 1.00 0.00 N ATOM 0 H LYS A 73 -1.787 -6.512 8.532 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.718 -6.710 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.622 -5.936 11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.365 -7.644 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.848 -7.153 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.276 -5.560 11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.538 -7.856 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.800 -7.713 13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.643 -5.348 13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.298 -6.527 14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.687 -4.968 15.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.847 -6.049 14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.482 -4.611 13.485 1.00 0.00 H new ATOM 1133 N MET A 74 -4.618 -4.082 9.028 1.00 0.00 N ATOM 1134 CA MET A 74 -4.371 -2.680 9.279 1.00 0.00 C ATOM 1135 C MET A 74 -4.205 -2.476 10.778 1.00 0.00 C ATOM 1136 O MET A 74 -4.748 -3.220 11.601 1.00 0.00 O ATOM 1137 CB MET A 74 -5.470 -1.793 8.693 1.00 0.00 C ATOM 1138 CG MET A 74 -6.817 -1.901 9.421 1.00 0.00 C ATOM 1139 SD MET A 74 -8.067 -0.654 8.989 1.00 0.00 S ATOM 1140 CE MET A 74 -7.648 -0.358 7.261 1.00 0.00 C ATOM 0 H MET A 74 -5.595 -4.368 9.082 1.00 0.00 H new ATOM 0 HA MET A 74 -3.452 -2.379 8.775 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.137 -0.755 8.719 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.614 -2.055 7.645 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.235 -2.888 9.223 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.632 -1.843 10.494 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.426 0.247 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.695 0.169 7.203 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.569 -1.311 6.738 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.530 -1.387 11.093 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.316 -0.800 12.388 1.00 0.00 C ATOM 1152 C PHE A 75 -3.510 0.727 12.341 1.00 0.00 C ATOM 1153 O PHE A 75 -3.601 1.335 13.410 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.919 -1.209 12.859 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.755 -0.690 12.020 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.274 -1.383 10.883 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.091 0.475 12.442 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.864 -0.917 10.199 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.068 0.915 11.781 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.560 0.194 10.681 1.00 0.00 C ATOM 0 H PHE A 75 -3.072 -0.839 10.365 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.051 -1.164 13.106 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.786 -0.862 13.884 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.868 -2.298 12.882 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.782 -2.272 10.540 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.475 1.036 13.281 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.199 -1.418 9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.579 1.805 12.118 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.480 0.500 10.206 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.647 1.370 11.165 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.698 2.833 11.044 1.00 0.00 C ATOM 1172 C LYS A 76 -4.501 3.267 9.813 1.00 0.00 C ATOM 1173 O LYS A 76 -4.393 2.644 8.752 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.252 3.371 10.973 1.00 0.00 C ATOM 1175 CG LYS A 76 -2.208 4.895 11.139 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.789 5.476 11.137 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.818 7.011 11.146 1.00 0.00 C ATOM 1178 NZ LYS A 76 -1.440 7.589 12.359 1.00 0.00 N ATOM 0 H LYS A 76 -3.725 0.884 10.272 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.206 3.247 11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.650 2.902 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.807 3.096 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.781 5.356 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.700 5.164 12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.244 5.115 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.251 5.125 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.202 7.385 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.362 7.360 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.409 8.627 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.429 7.275 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.919 7.272 13.201 1.00 0.00 H new ATOM 1192 N SER A 77 -5.250 4.367 9.923 1.00 0.00 N ATOM 1193 CA SER A 77 -6.069 4.923 8.856 1.00 0.00 C ATOM 1194 C SER A 77 -6.396 6.400 9.120 1.00 0.00 C ATOM 1195 O SER A 77 -7.380 6.698 9.807 1.00 0.00 O ATOM 1196 CB SER A 77 -7.345 4.081 8.749 1.00 0.00 C ATOM 1197 OG SER A 77 -7.989 3.946 10.003 1.00 0.00 O ATOM 0 H SER A 77 -5.301 4.908 10.786 1.00 0.00 H new ATOM 0 HA SER A 77 -5.524 4.889 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.028 4.544 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.098 3.094 8.358 1.00 0.00 H new ATOM 0 HG SER A 77 -8.097 4.830 10.412 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.586 7.318 8.597 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.855 8.756 8.655 1.00 0.00 C ATOM 1205 C ASP A 78 -6.832 9.150 7.559 1.00 0.00 C ATOM 1206 O ASP A 78 -7.009 8.426 6.573 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.562 9.567 8.456 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.478 10.782 9.364 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.523 11.404 9.648 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.357 11.070 9.848 1.00 0.00 O ATOM 0 H ASP A 78 -4.717 7.084 8.117 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.276 8.972 9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.703 8.922 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.499 9.891 7.417 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.420 10.333 7.703 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.268 10.954 6.708 1.00 0.00 C ATOM 1217 C ALA A 79 -7.408 11.754 5.735 1.00 0.00 C ATOM 1218 O ALA A 79 -6.434 12.402 6.122 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.274 11.846 7.434 1.00 0.00 C ATOM 0 H ALA A 79 -7.312 10.899 8.545 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.810 10.205 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.926 12.327 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.873 11.240 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.741 12.608 8.002 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.791 11.729 4.463 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.158 12.466 3.389 1.00 0.00 C ATOM 1227 C ILE A 80 -8.102 13.621 3.105 1.00 0.00 C ATOM 1228 O ILE A 80 -9.235 13.403 2.664 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.944 11.593 2.135 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -6.248 10.258 2.463 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.114 12.397 1.114 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -6.331 9.264 1.302 1.00 0.00 C ATOM 0 H ILE A 80 -8.583 11.171 4.145 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.161 12.806 3.669 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.919 11.340 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.202 10.445 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.707 9.819 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.953 11.794 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.650 13.307 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.151 12.659 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.827 8.338 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.377 9.055 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.848 9.691 0.423 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.653 14.838 3.398 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.402 16.020 3.017 1.00 0.00 C ATOM 1246 C LEU A 81 -8.126 16.327 1.543 1.00 0.00 C ATOM 1247 O LEU A 81 -7.077 15.991 0.987 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.055 17.227 3.897 1.00 0.00 C ATOM 1249 CG LEU A 81 -8.229 17.014 5.410 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -7.924 18.342 6.101 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -9.638 16.549 5.804 1.00 0.00 C ATOM 0 H LEU A 81 -6.782 15.026 3.894 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.464 15.821 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.020 17.510 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.678 18.068 3.592 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.548 16.221 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.038 18.226 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.901 18.643 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.615 19.105 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.689 16.419 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.368 17.297 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.859 15.601 5.314 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.071 17.007 0.901 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.928 17.571 -0.429 1.00 0.00 C ATOM 1265 C GLY A 82 -9.044 19.077 -0.329 1.00 0.00 C ATOM 1266 O GLY A 82 -10.005 19.638 -0.842 1.00 0.00 O ATOM 0 H GLY A 82 -9.988 17.184 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.965 17.293 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.697 17.175 -1.093 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.093 19.701 0.371 1.00 0.00 N ATOM 1271 CA GLN A 83 -7.894 21.144 0.544 1.00 0.00 C ATOM 1272 C GLN A 83 -9.054 21.831 1.274 1.00 0.00 C ATOM 1273 O GLN A 83 -8.890 22.273 2.412 1.00 0.00 O ATOM 1274 CB GLN A 83 -7.528 21.844 -0.778 1.00 0.00 C ATOM 1275 CG GLN A 83 -6.695 21.035 -1.784 1.00 0.00 C ATOM 1276 CD GLN A 83 -5.279 20.657 -1.342 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -5.035 20.126 -0.258 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -4.305 20.825 -2.216 1.00 0.00 N ATOM 0 H GLN A 83 -7.384 19.167 0.873 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.032 21.251 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.453 22.147 -1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.980 22.756 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.237 20.119 -2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.624 21.608 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.498 21.264 -3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.359 20.516 -1.991 1.00 0.00 H new ATOM 1287 N ASN A 84 -10.252 21.866 0.684 1.00 0.00 N ATOM 1288 CA ASN A 84 -11.482 22.398 1.271 1.00 0.00 C ATOM 1289 C ASN A 84 -12.028 21.550 2.430 1.00 0.00 C ATOM 1290 O ASN A 84 -13.229 21.568 2.700 1.00 0.00 O ATOM 1291 CB ASN A 84 -12.545 22.692 0.191 1.00 0.00 C ATOM 1292 CG ASN A 84 -13.222 21.514 -0.492 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -14.204 20.968 0.004 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.762 21.137 -1.671 1.00 0.00 N ATOM 0 H ASN A 84 -10.396 21.507 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.215 23.351 1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.323 23.304 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.075 23.299 -0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.223 20.384 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.946 21.599 -2.071 1.00 0.00 H new ATOM 1301 N LYS A 85 -11.167 20.813 3.143 1.00 0.00 N ATOM 1302 CA LYS A 85 -11.478 19.927 4.268 1.00 0.00 C ATOM 1303 C LYS A 85 -12.417 18.779 3.882 1.00 0.00 C ATOM 1304 O LYS A 85 -12.939 18.091 4.754 1.00 0.00 O ATOM 1305 CB LYS A 85 -12.018 20.734 5.468 1.00 0.00 C ATOM 1306 CG LYS A 85 -11.090 21.882 5.906 1.00 0.00 C ATOM 1307 CD LYS A 85 -11.457 22.456 7.282 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.895 22.987 7.336 1.00 0.00 C ATOM 1309 NZ LYS A 85 -13.209 23.586 8.648 1.00 0.00 N ATOM 0 H LYS A 85 -10.169 20.822 2.934 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.543 19.455 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.994 21.145 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.170 20.059 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.062 21.522 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.131 22.679 5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.331 21.682 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.767 23.262 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.037 23.732 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.591 22.173 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.189 23.933 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.098 22.869 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.561 24.379 8.832 1.00 0.00 H new ATOM 1323 N VAL A 86 -12.630 18.553 2.595 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.417 17.439 2.092 1.00 0.00 C ATOM 1325 C VAL A 86 -12.647 16.147 2.363 1.00 0.00 C ATOM 1326 O VAL A 86 -11.477 16.071 1.996 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.866 17.664 0.648 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -12.705 18.128 -0.200 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.557 16.440 0.036 1.00 0.00 C ATOM 0 H VAL A 86 -12.254 19.150 1.858 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.365 17.353 2.623 1.00 0.00 H new ATOM 0 HB VAL A 86 -14.620 18.451 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.042 18.283 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.314 19.064 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.920 17.372 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.852 16.663 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.869 15.594 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.442 16.191 0.622 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.266 15.155 3.002 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.661 13.844 3.205 1.00 0.00 C ATOM 1341 C VAL A 87 -12.763 13.082 1.876 1.00 0.00 C ATOM 1342 O VAL A 87 -13.707 12.325 1.629 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.305 13.125 4.404 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.524 11.847 4.720 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.303 14.002 5.669 1.00 0.00 C ATOM 0 H VAL A 87 -14.204 15.241 3.394 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.606 13.919 3.470 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.335 12.901 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.983 11.341 5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.540 11.187 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.493 12.102 4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.767 13.456 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.277 14.255 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.865 14.917 5.479 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.809 13.337 0.979 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.735 12.690 -0.328 1.00 0.00 C ATOM 1357 C ILE A 88 -11.426 11.200 -0.188 1.00 0.00 C ATOM 1358 O ILE A 88 -11.833 10.403 -1.035 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.708 13.397 -1.239 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.319 13.572 -0.588 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.281 14.761 -1.639 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.251 14.040 -1.580 1.00 0.00 C ATOM 0 H ILE A 88 -11.058 14.007 1.144 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.712 12.779 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.546 12.763 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.393 14.293 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.008 12.625 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.571 15.279 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.220 14.619 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.460 15.357 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.296 14.145 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.152 13.307 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.543 15.002 -2.002 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.762 10.792 0.887 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.417 9.403 1.104 1.00 0.00 C ATOM 1376 C GLY A 89 -9.800 9.195 2.471 1.00 0.00 C ATOM 1377 O GLY A 89 -9.792 10.111 3.294 1.00 0.00 O ATOM 0 H GLY A 89 -10.450 11.419 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.310 8.785 1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.719 9.075 0.334 1.00 0.00 H new ATOM 1381 N TRP A 90 -9.255 8.000 2.692 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.519 7.643 3.889 1.00 0.00 C ATOM 1383 C TRP A 90 -7.300 6.880 3.423 1.00 0.00 C ATOM 1384 O TRP A 90 -7.384 6.098 2.468 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.388 6.818 4.837 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.661 7.509 5.179 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.852 8.345 6.221 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.882 7.560 4.385 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.124 8.875 6.142 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.793 8.446 5.017 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.274 6.992 3.158 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.038 8.753 4.455 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.508 7.317 2.568 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.384 8.203 3.212 1.00 0.00 C ATOM 0 H TRP A 90 -9.319 7.236 2.019 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.221 8.525 4.456 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.612 5.855 4.377 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.831 6.613 5.751 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.127 8.564 6.991 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.522 9.509 6.835 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.616 6.295 2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.725 9.406 4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.782 6.884 1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.325 8.462 2.751 1.00 0.00 H new ATOM 1405 N ASP A 91 -6.164 7.134 4.058 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.923 6.496 3.657 1.00 0.00 C ATOM 1407 C ASP A 91 -4.833 5.277 4.562 1.00 0.00 C ATOM 1408 O ASP A 91 -4.400 5.391 5.712 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.741 7.488 3.710 1.00 0.00 C ATOM 1410 CG ASP A 91 -3.033 7.595 2.365 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.450 6.565 1.974 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -3.041 8.699 1.772 1.00 0.00 O ATOM 0 H ASP A 91 -6.078 7.774 4.848 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.888 6.174 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.104 8.471 4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.030 7.166 4.471 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.386 4.142 4.129 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.314 2.924 4.931 1.00 0.00 C ATOM 1419 C LYS A 92 -3.925 2.316 4.734 1.00 0.00 C ATOM 1420 O LYS A 92 -3.565 1.881 3.637 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.410 1.897 4.594 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.856 2.380 4.383 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.488 3.117 5.566 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.015 2.917 5.568 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.726 3.326 6.806 1.00 0.00 N ATOM 0 H LYS A 92 -5.880 4.043 3.242 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.485 3.192 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.103 1.376 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.425 1.159 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.877 3.039 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.477 1.517 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.065 2.748 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.254 4.180 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.435 3.475 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.223 1.863 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.745 3.148 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.363 2.778 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.569 4.340 6.978 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.156 2.299 5.813 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.873 1.631 5.888 1.00 0.00 C ATOM 1441 C TYR A 93 -2.111 0.126 6.067 1.00 0.00 C ATOM 1442 O TYR A 93 -3.180 -0.266 6.544 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.164 2.197 7.120 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.738 3.643 7.047 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.612 4.659 7.479 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.564 3.965 6.627 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.146 5.983 7.571 1.00 0.00 C ATOM 1448 CE2 TYR A 93 1.013 5.292 6.674 1.00 0.00 C ATOM 1449 CZ TYR A 93 0.161 6.312 7.145 1.00 0.00 C ATOM 1450 OH TYR A 93 0.626 7.588 7.166 1.00 0.00 O ATOM 0 H TYR A 93 -3.418 2.764 6.682 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.276 1.786 4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.825 2.079 7.978 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.279 1.590 7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.634 4.423 7.738 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.221 3.187 6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.791 6.753 7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.014 5.534 6.349 1.00 0.00 H new ATOM 0 HH TYR A 93 1.548 7.606 6.835 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.089 -0.718 5.880 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.152 -2.158 6.183 1.00 0.00 C ATOM 1462 C PHE A 94 0.186 -2.673 6.724 1.00 0.00 C ATOM 1463 O PHE A 94 1.213 -2.052 6.438 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.533 -2.928 4.911 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.872 -2.512 4.335 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.068 -2.957 4.928 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -2.922 -1.598 3.269 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.310 -2.505 4.449 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.161 -1.133 2.802 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.358 -1.586 3.385 1.00 0.00 C ATOM 0 H PHE A 94 -0.186 -0.421 5.511 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.907 -2.316 6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.759 -2.777 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.557 -3.995 5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.032 -3.650 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.007 -1.254 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.225 -2.863 4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.196 -0.422 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.309 -1.230 3.018 1.00 0.00 H new ATOM 1480 N GLU A 95 0.183 -3.806 7.443 1.00 0.00 N ATOM 1481 CA GLU A 95 1.381 -4.493 7.955 1.00 0.00 C ATOM 1482 C GLU A 95 1.562 -5.873 7.293 1.00 0.00 C ATOM 1483 O GLU A 95 1.447 -6.926 7.909 1.00 0.00 O ATOM 1484 CB GLU A 95 1.368 -4.502 9.498 1.00 0.00 C ATOM 1485 CG GLU A 95 0.435 -5.481 10.204 1.00 0.00 C ATOM 1486 CD GLU A 95 0.225 -5.132 11.683 1.00 0.00 C ATOM 1487 OE1 GLU A 95 -0.448 -4.132 12.007 1.00 0.00 O ATOM 1488 OE2 GLU A 95 0.632 -5.891 12.585 1.00 0.00 O ATOM 0 H GLU A 95 -0.682 -4.286 7.693 1.00 0.00 H new ATOM 0 HA GLU A 95 2.277 -3.940 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.383 -4.705 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.113 -3.497 9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.529 -5.489 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.845 -6.488 10.127 1.00 0.00 H new ATOM 1495 N ILE A 96 1.821 -5.898 5.993 1.00 0.00 N ATOM 1496 CA ILE A 96 1.934 -7.149 5.233 1.00 0.00 C ATOM 1497 C ILE A 96 3.289 -7.825 5.563 1.00 0.00 C ATOM 1498 O ILE A 96 4.276 -7.113 5.749 1.00 0.00 O ATOM 1499 CB ILE A 96 1.748 -6.837 3.727 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.499 -5.961 3.424 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.621 -8.110 2.879 1.00 0.00 C ATOM 1502 CD1 ILE A 96 0.881 -4.662 2.706 1.00 0.00 C ATOM 0 H ILE A 96 1.959 -5.058 5.431 1.00 0.00 H new ATOM 0 HA ILE A 96 1.155 -7.859 5.511 1.00 0.00 H new ATOM 0 HB ILE A 96 2.650 -6.286 3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.201 -6.525 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.015 -5.725 4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.492 -7.838 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.523 -8.712 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.757 -8.685 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.017 -4.076 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.561 -4.086 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.372 -4.899 1.762 1.00 0.00 H new ATOM 1514 N PRO A 97 3.397 -9.164 5.670 1.00 0.00 N ATOM 1515 CA PRO A 97 4.689 -9.842 5.698 1.00 0.00 C ATOM 1516 C PRO A 97 5.260 -9.922 4.278 1.00 0.00 C ATOM 1517 O PRO A 97 4.511 -10.109 3.320 1.00 0.00 O ATOM 1518 CB PRO A 97 4.397 -11.248 6.212 1.00 0.00 C ATOM 1519 CG PRO A 97 2.992 -11.506 5.676 1.00 0.00 C ATOM 1520 CD PRO A 97 2.324 -10.133 5.786 1.00 0.00 C ATOM 0 HA PRO A 97 5.412 -9.319 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.116 -11.976 5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.433 -11.299 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.012 -11.864 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.467 -12.258 6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.584 -9.994 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.802 -10.027 6.737 1.00 0.00 H new ATOM 1528 N MET A 98 6.584 -9.890 4.135 1.00 0.00 N ATOM 1529 CA MET A 98 7.223 -10.184 2.853 1.00 0.00 C ATOM 1530 C MET A 98 7.125 -11.666 2.499 1.00 0.00 C ATOM 1531 O MET A 98 6.951 -11.987 1.322 1.00 0.00 O ATOM 1532 CB MET A 98 8.691 -9.764 2.859 1.00 0.00 C ATOM 1533 CG MET A 98 8.843 -8.246 2.794 1.00 0.00 C ATOM 1534 SD MET A 98 10.532 -7.704 3.107 1.00 0.00 S ATOM 1535 CE MET A 98 10.207 -5.930 3.182 1.00 0.00 C ATOM 0 H MET A 98 7.234 -9.664 4.888 1.00 0.00 H new ATOM 0 HA MET A 98 6.687 -9.609 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.174 -10.140 3.761 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.203 -10.218 2.011 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.529 -7.895 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.177 -7.786 3.524 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.986 -5.442 3.768 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.200 -5.518 2.173 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.238 -5.757 3.651 1.00 0.00 H new ATOM 1545 N ASP A 99 7.221 -12.568 3.491 1.00 0.00 N ATOM 1546 CA ASP A 99 7.227 -14.010 3.225 1.00 0.00 C ATOM 1547 C ASP A 99 6.046 -14.386 2.342 1.00 0.00 C ATOM 1548 O ASP A 99 6.246 -14.956 1.278 1.00 0.00 O ATOM 1549 CB ASP A 99 7.183 -14.884 4.489 1.00 0.00 C ATOM 1550 CG ASP A 99 7.012 -16.360 4.083 1.00 0.00 C ATOM 1551 OD1 ASP A 99 7.945 -16.912 3.459 1.00 0.00 O ATOM 1552 OD2 ASP A 99 5.947 -16.974 4.340 1.00 0.00 O ATOM 0 H ASP A 99 7.295 -12.322 4.478 1.00 0.00 H new ATOM 0 HA ASP A 99 8.177 -14.207 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.100 -14.757 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.358 -14.574 5.131 1.00 0.00 H new ATOM 1557 N ALA A 100 4.827 -14.039 2.764 1.00 0.00 N ATOM 1558 CA ALA A 100 3.586 -14.619 2.256 1.00 0.00 C ATOM 1559 C ALA A 100 3.196 -14.150 0.843 1.00 0.00 C ATOM 1560 O ALA A 100 2.101 -14.466 0.378 1.00 0.00 O ATOM 1561 CB ALA A 100 2.463 -14.343 3.261 1.00 0.00 C ATOM 0 H ALA A 100 4.675 -13.332 3.483 1.00 0.00 H new ATOM 0 HA ALA A 100 3.753 -15.691 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.531 -14.772 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.715 -14.794 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.343 -13.267 3.386 1.00 0.00 H new ATOM 1567 N LEU A 101 4.053 -13.388 0.159 1.00 0.00 N ATOM 1568 CA LEU A 101 3.802 -12.840 -1.173 1.00 0.00 C ATOM 1569 C LEU A 101 4.243 -13.827 -2.252 1.00 0.00 C ATOM 1570 O LEU A 101 5.243 -14.530 -2.077 1.00 0.00 O ATOM 1571 CB LEU A 101 4.542 -11.502 -1.327 1.00 0.00 C ATOM 1572 CG LEU A 101 4.171 -10.461 -0.251 1.00 0.00 C ATOM 1573 CD1 LEU A 101 5.092 -9.251 -0.369 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.716 -10.000 -0.342 1.00 0.00 C ATOM 0 H LEU A 101 4.967 -13.129 0.529 1.00 0.00 H new ATOM 0 HA LEU A 101 2.732 -12.669 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.616 -11.684 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.324 -11.088 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 101 4.295 -10.948 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.828 -8.517 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.126 -9.565 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.981 -8.805 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.516 -9.268 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.539 -9.546 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.054 -10.857 -0.215 1.00 0.00 H new ATOM 1586 N GLN A 102 3.496 -13.871 -3.363 1.00 0.00 N ATOM 1587 CA GLN A 102 3.765 -14.736 -4.519 1.00 0.00 C ATOM 1588 C GLN A 102 5.169 -14.573 -5.075 1.00 0.00 C ATOM 1589 O GLN A 102 5.753 -15.551 -5.531 1.00 0.00 O ATOM 1590 CB GLN A 102 2.762 -14.445 -5.651 1.00 0.00 C ATOM 1591 CG GLN A 102 2.582 -15.598 -6.637 1.00 0.00 C ATOM 1592 CD GLN A 102 1.475 -15.292 -7.646 1.00 0.00 C ATOM 1593 OE1 GLN A 102 1.729 -14.743 -8.716 1.00 0.00 O ATOM 1594 NE2 GLN A 102 0.221 -15.583 -7.320 1.00 0.00 N ATOM 0 H GLN A 102 2.666 -13.291 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 102 3.661 -15.759 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.794 -14.203 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.094 -13.562 -6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.519 -15.779 -7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.340 -16.511 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.018 -16.039 -6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.539 -15.351 -7.959 1.00 0.00 H new ATOM 1603 N ASP A 103 5.656 -13.339 -5.097 1.00 0.00 N ATOM 1604 CA ASP A 103 6.829 -12.934 -5.843 1.00 0.00 C ATOM 1605 C ASP A 103 7.504 -11.805 -5.073 1.00 0.00 C ATOM 1606 O ASP A 103 7.023 -11.378 -4.015 1.00 0.00 O ATOM 1607 CB ASP A 103 6.392 -12.458 -7.239 1.00 0.00 C ATOM 1608 CG ASP A 103 7.532 -12.274 -8.245 1.00 0.00 C ATOM 1609 OD1 ASP A 103 8.645 -12.796 -8.015 1.00 0.00 O ATOM 1610 OD2 ASP A 103 7.278 -11.577 -9.254 1.00 0.00 O ATOM 0 H ASP A 103 5.228 -12.572 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 103 7.528 -13.761 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.681 -13.177 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.863 -11.511 -7.135 1.00 0.00 H new ATOM 1615 N ASN A 104 8.595 -11.278 -5.609 1.00 0.00 N ATOM 1616 CA ASN A 104 9.254 -10.085 -5.113 1.00 0.00 C ATOM 1617 C ASN A 104 8.481 -8.840 -5.567 1.00 0.00 C ATOM 1618 O ASN A 104 9.093 -7.877 -6.018 1.00 0.00 O ATOM 1619 CB ASN A 104 10.724 -10.073 -5.568 1.00 0.00 C ATOM 1620 CG ASN A 104 11.595 -11.041 -4.778 1.00 0.00 C ATOM 1621 OD1 ASN A 104 11.161 -12.115 -4.370 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.833 -10.655 -4.527 1.00 0.00 N ATOM 0 H ASN A 104 9.057 -11.682 -6.424 1.00 0.00 H new ATOM 0 HA ASN A 104 9.257 -10.081 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.774 -10.328 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.123 -9.064 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.453 -11.254 -3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 104 13.169 -9.758 -4.878 1.00 0.00 H new ATOM 1629 N SER A 105 7.147 -8.828 -5.469 1.00 0.00 N ATOM 1630 CA SER A 105 6.360 -7.627 -5.694 1.00 0.00 C ATOM 1631 C SER A 105 5.207 -7.566 -4.706 1.00 0.00 C ATOM 1632 O SER A 105 4.735 -8.594 -4.200 1.00 0.00 O ATOM 1633 CB SER A 105 5.892 -7.548 -7.162 1.00 0.00 C ATOM 1634 OG SER A 105 4.808 -8.433 -7.416 1.00 0.00 O ATOM 0 H SER A 105 6.592 -9.650 -5.232 1.00 0.00 H new ATOM 0 HA SER A 105 6.982 -6.749 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.590 -6.527 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.724 -7.792 -7.823 1.00 0.00 H new ATOM 0 HG SER A 105 4.640 -8.476 -8.381 1.00 0.00 H new ATOM 1640 N ILE A 106 4.704 -6.356 -4.478 1.00 0.00 N ATOM 1641 CA ILE A 106 3.484 -6.109 -3.718 1.00 0.00 C ATOM 1642 C ILE A 106 2.394 -5.569 -4.656 1.00 0.00 C ATOM 1643 O ILE A 106 2.697 -5.055 -5.738 1.00 0.00 O ATOM 1644 CB ILE A 106 3.827 -5.273 -2.457 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.699 -5.148 -1.407 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.339 -3.865 -2.809 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.998 -6.454 -1.014 1.00 0.00 C ATOM 0 H ILE A 106 5.143 -5.503 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 106 3.044 -7.021 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 106 4.620 -5.859 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.116 -4.698 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.948 -4.457 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.565 -3.320 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.242 -3.947 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.573 -3.329 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.227 -6.244 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.541 -6.901 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.727 -7.146 -0.593 1.00 0.00 H new ATOM 1659 N GLN A 107 1.132 -5.656 -4.229 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.068 -5.103 -4.856 1.00 0.00 C ATOM 1661 C GLN A 107 -1.171 -5.153 -3.795 1.00 0.00 C ATOM 1662 O GLN A 107 -1.119 -6.002 -2.902 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.430 -5.941 -6.105 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.834 -5.653 -6.654 1.00 0.00 C ATOM 1665 CD GLN A 107 -2.161 -6.400 -7.932 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -2.096 -7.626 -7.962 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.580 -5.686 -8.957 1.00 0.00 N ATOM 0 H GLN A 107 0.907 -6.154 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 107 0.076 -4.077 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.304 -5.747 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.357 -7.000 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.571 -5.914 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.929 -4.583 -6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.618 -4.669 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.866 -6.150 -9.819 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.207 -4.329 -3.941 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.479 -4.374 -3.230 1.00 0.00 C ATOM 1678 C ILE A 108 -4.591 -4.413 -4.298 1.00 0.00 C ATOM 1679 O ILE A 108 -4.357 -4.091 -5.463 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.550 -3.152 -2.276 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.351 -3.197 -1.296 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.882 -3.112 -1.506 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.333 -2.106 -0.223 1.00 0.00 C ATOM 0 H ILE A 108 -2.175 -3.558 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.597 -5.256 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.497 -2.241 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.345 -4.168 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.429 -3.128 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.896 -2.243 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.709 -3.045 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.986 -4.019 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.453 -2.231 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.302 -1.127 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.232 -2.183 0.389 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.812 -4.817 -3.943 1.00 0.00 N ATOM 1696 CA LYS A 109 -7.010 -4.489 -4.719 1.00 0.00 C ATOM 1697 C LYS A 109 -8.170 -4.188 -3.766 1.00 0.00 C ATOM 1698 O LYS A 109 -8.090 -4.666 -2.629 1.00 0.00 O ATOM 1699 CB LYS A 109 -7.342 -5.575 -5.766 1.00 0.00 C ATOM 1700 CG LYS A 109 -7.493 -7.008 -5.217 1.00 0.00 C ATOM 1701 CD LYS A 109 -6.574 -8.012 -5.928 1.00 0.00 C ATOM 1702 CE LYS A 109 -5.082 -7.669 -5.778 1.00 0.00 C ATOM 1703 NZ LYS A 109 -4.615 -8.007 -4.422 1.00 0.00 N ATOM 0 H LYS A 109 -5.998 -5.379 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.820 -3.589 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.269 -5.298 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.558 -5.576 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.270 -7.010 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.529 -7.328 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.754 -9.009 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.830 -8.044 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.499 -8.217 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.924 -6.608 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.791 -7.420 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.378 -7.829 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.346 -9.011 -4.388 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.209 -3.433 -4.165 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.367 -3.222 -3.280 1.00 0.00 C ATOM 1719 C ALA A 110 -11.663 -2.997 -4.062 1.00 0.00 C ATOM 1720 O ALA A 110 -11.604 -2.636 -5.235 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.082 -2.065 -2.316 1.00 0.00 C ATOM 0 H ALA A 110 -9.271 -2.969 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.518 -4.133 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.943 -1.914 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.206 -2.302 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.894 -1.155 -2.885 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.819 -3.230 -3.428 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.132 -3.121 -4.071 1.00 0.00 C ATOM 1729 C LEU A 111 -14.513 -1.653 -4.278 1.00 0.00 C ATOM 1730 O LEU A 111 -14.743 -0.902 -3.328 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.217 -3.852 -3.265 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.564 -3.919 -4.024 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.567 -5.021 -5.090 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.717 -4.195 -3.061 1.00 0.00 C ATOM 0 H LEU A 111 -12.868 -3.502 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.062 -3.603 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.879 -4.863 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.364 -3.344 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.693 -2.950 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.531 -5.033 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.777 -4.828 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.395 -5.987 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.653 -4.238 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.550 -5.147 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.771 -3.397 -2.320 1.00 0.00 H new ATOM 1746 N SER A 112 -14.609 -1.275 -5.545 1.00 0.00 N ATOM 1747 CA SER A 112 -15.072 0.000 -6.050 1.00 0.00 C ATOM 1748 C SER A 112 -16.606 0.008 -6.010 1.00 0.00 C ATOM 1749 O SER A 112 -17.202 0.490 -5.043 1.00 0.00 O ATOM 1750 CB SER A 112 -14.354 0.199 -7.402 1.00 0.00 C ATOM 1751 OG SER A 112 -14.998 0.927 -8.428 1.00 0.00 O ATOM 0 H SER A 112 -14.343 -1.905 -6.302 1.00 0.00 H new ATOM 0 HA SER A 112 -14.819 0.881 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.403 0.692 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.122 -0.790 -7.798 1.00 0.00 H new ATOM 0 HG SER A 112 -14.417 0.966 -9.216 1.00 0.00 H new ATOM 1757 N SER A 113 -17.256 -0.557 -7.023 1.00 0.00 N ATOM 1758 CA SER A 113 -18.694 -0.481 -7.218 1.00 0.00 C ATOM 1759 C SER A 113 -19.126 -1.742 -7.952 1.00 0.00 C ATOM 1760 O SER A 113 -18.363 -2.268 -8.765 1.00 0.00 O ATOM 1761 CB SER A 113 -19.003 0.802 -8.008 1.00 0.00 C ATOM 1762 OG SER A 113 -20.382 0.986 -8.259 1.00 0.00 O ATOM 0 H SER A 113 -16.781 -1.094 -7.749 1.00 0.00 H new ATOM 0 HA SER A 113 -19.244 -0.430 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.624 1.661 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.469 0.773 -8.958 1.00 0.00 H new ATOM 0 HG SER A 113 -20.515 1.817 -8.762 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.351 -2.209 -7.706 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.896 -3.457 -8.212 1.00 0.00 C ATOM 1770 C GLY A 114 -19.976 -4.620 -7.861 1.00 0.00 C ATOM 1771 O GLY A 114 -19.981 -5.084 -6.716 1.00 0.00 O ATOM 0 H GLY A 114 -21.015 -1.701 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.886 -3.627 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.019 -3.396 -9.293 1.00 0.00 H new ATOM 1775 N THR A 115 -19.170 -5.060 -8.824 1.00 0.00 N ATOM 1776 CA THR A 115 -18.179 -6.126 -8.689 1.00 0.00 C ATOM 1777 C THR A 115 -16.752 -5.635 -8.976 1.00 0.00 C ATOM 1778 O THR A 115 -15.808 -6.408 -8.810 1.00 0.00 O ATOM 1779 CB THR A 115 -18.567 -7.272 -9.637 1.00 0.00 C ATOM 1780 OG1 THR A 115 -18.867 -6.747 -10.921 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.779 -8.038 -9.103 1.00 0.00 C ATOM 0 H THR A 115 -19.191 -4.665 -9.764 1.00 0.00 H new ATOM 0 HA THR A 115 -18.177 -6.476 -7.657 1.00 0.00 H new ATOM 0 HB THR A 115 -17.725 -7.961 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.112 -7.479 -11.525 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.033 -8.843 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 115 -19.542 -8.458 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 115 -20.627 -7.359 -9.010 1.00 0.00 H new ATOM 1789 N THR A 116 -16.568 -4.377 -9.393 1.00 0.00 N ATOM 1790 CA THR A 116 -15.278 -3.808 -9.754 1.00 0.00 C ATOM 1791 C THR A 116 -14.383 -3.868 -8.531 1.00 0.00 C ATOM 1792 O THR A 116 -14.711 -3.348 -7.464 1.00 0.00 O ATOM 1793 CB THR A 116 -15.432 -2.355 -10.215 1.00 0.00 C ATOM 1794 OG1 THR A 116 -16.284 -2.247 -11.342 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.103 -1.694 -10.581 1.00 0.00 C ATOM 0 H THR A 116 -17.337 -3.714 -9.489 1.00 0.00 H new ATOM 0 HA THR A 116 -14.844 -4.374 -10.578 1.00 0.00 H new ATOM 0 HB THR A 116 -15.863 -1.840 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 116 -16.359 -1.306 -11.606 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.283 -0.667 -10.899 1.00 0.00 H new ATOM 0 HG22 THR A 116 -13.445 -1.695 -9.712 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.633 -2.248 -11.393 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.227 -4.476 -8.718 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.207 -4.681 -7.721 1.00 0.00 C ATOM 1805 C PHE A 117 -10.957 -4.024 -8.281 1.00 0.00 C ATOM 1806 O PHE A 117 -10.302 -4.597 -9.143 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.067 -6.183 -7.438 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.248 -6.500 -5.972 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -11.196 -6.262 -5.072 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.484 -6.967 -5.495 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -11.368 -6.515 -3.703 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.656 -7.220 -4.124 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.601 -6.991 -3.226 1.00 0.00 C ATOM 0 H PHE A 117 -12.965 -4.861 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.435 -4.235 -6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.805 -6.733 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.084 -6.524 -7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.252 -5.883 -5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.301 -7.131 -6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.553 -6.344 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.602 -7.592 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.737 -7.180 -2.171 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.682 -2.781 -7.899 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.567 -2.026 -8.456 1.00 0.00 C ATOM 1825 C VAL A 118 -8.280 -2.678 -8.057 1.00 0.00 C ATOM 1826 O VAL A 118 -7.904 -2.666 -6.891 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.570 -0.547 -8.047 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.851 -0.258 -6.581 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.465 0.258 -8.743 1.00 0.00 C ATOM 0 H VAL A 118 -11.222 -2.272 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.677 -2.038 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.484 -0.123 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.827 0.818 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.835 -0.646 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.093 -0.739 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.512 1.297 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.492 -0.159 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.604 0.209 -9.823 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.598 -3.220 -9.044 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.248 -3.680 -8.913 1.00 0.00 C ATOM 1841 C TYR A 119 -5.377 -2.445 -8.843 1.00 0.00 C ATOM 1842 O TYR A 119 -5.427 -1.593 -9.729 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.948 -4.606 -10.098 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.057 -5.626 -10.308 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -7.142 -6.730 -9.443 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -8.095 -5.376 -11.228 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -8.263 -7.582 -9.488 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -9.180 -6.264 -11.329 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.284 -7.354 -10.436 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.395 -8.141 -10.425 1.00 0.00 O ATOM 0 H TYR A 119 -7.984 -3.352 -9.979 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.060 -4.267 -8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.824 -4.011 -11.003 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.005 -5.124 -9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.345 -6.926 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -8.057 -4.499 -11.857 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.341 -8.409 -8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -9.933 -6.113 -12.088 1.00 0.00 H new ATOM 0 HH TYR A 119 -11.004 -7.857 -11.138 1.00 0.00 H new ATOM 1860 N SER A 120 -4.609 -2.303 -7.769 1.00 0.00 N ATOM 1861 CA SER A 120 -3.556 -1.312 -7.746 1.00 0.00 C ATOM 1862 C SER A 120 -2.522 -1.701 -8.809 1.00 0.00 C ATOM 1863 O SER A 120 -2.587 -2.799 -9.372 1.00 0.00 O ATOM 1864 CB SER A 120 -2.959 -1.310 -6.338 1.00 0.00 C ATOM 1865 OG SER A 120 -1.893 -2.211 -6.075 1.00 0.00 O ATOM 0 H SER A 120 -4.698 -2.856 -6.917 1.00 0.00 H new ATOM 0 HA SER A 120 -3.916 -0.308 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.607 -0.301 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.762 -1.524 -5.632 1.00 0.00 H new ATOM 0 HG SER A 120 -1.258 -2.193 -6.821 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.479 -0.890 -8.979 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.320 -1.332 -9.743 1.00 0.00 C ATOM 1873 C GLN A 121 0.335 -2.571 -9.102 1.00 0.00 C ATOM 1874 O GLN A 121 0.022 -2.924 -7.957 1.00 0.00 O ATOM 1875 CB GLN A 121 0.666 -0.167 -9.841 1.00 0.00 C ATOM 1876 CG GLN A 121 1.325 0.209 -8.503 1.00 0.00 C ATOM 1877 CD GLN A 121 0.842 1.528 -7.919 1.00 0.00 C ATOM 1878 OE1 GLN A 121 -0.257 1.628 -7.372 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.674 2.553 -7.989 1.00 0.00 N ATOM 0 H GLN A 121 -1.414 0.057 -8.606 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.633 -1.630 -10.744 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.445 -0.423 -10.559 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.144 0.705 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.136 -0.586 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.405 0.261 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.579 2.445 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.411 3.452 -7.585 1.00 0.00 H new ATOM 1888 N LYS A 122 1.323 -3.155 -9.779 1.00 0.00 N ATOM 1889 CA LYS A 122 2.292 -4.077 -9.195 1.00 0.00 C ATOM 1890 C LYS A 122 3.593 -3.286 -8.999 1.00 0.00 C ATOM 1891 O LYS A 122 3.920 -2.474 -9.863 1.00 0.00 O ATOM 1892 CB LYS A 122 2.454 -5.264 -10.160 1.00 0.00 C ATOM 1893 CG LYS A 122 2.956 -6.528 -9.456 1.00 0.00 C ATOM 1894 CD LYS A 122 2.964 -7.765 -10.372 1.00 0.00 C ATOM 1895 CE LYS A 122 4.224 -7.977 -11.229 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.406 -6.978 -12.302 1.00 0.00 N ATOM 0 H LYS A 122 1.474 -2.995 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 122 1.982 -4.479 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.497 -5.474 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.152 -4.992 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.965 -6.353 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.326 -6.729 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.821 -8.650 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.104 -7.701 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.099 -7.958 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.182 -8.970 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.089 -7.338 -12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.494 -6.801 -12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.763 -6.091 -11.893 1.00 0.00 H new ATOM 1910 N ILE A 123 4.286 -3.476 -7.874 1.00 0.00 N ATOM 1911 CA ILE A 123 5.568 -2.847 -7.572 1.00 0.00 C ATOM 1912 C ILE A 123 6.490 -3.956 -7.110 1.00 0.00 C ATOM 1913 O ILE A 123 6.318 -4.492 -6.012 1.00 0.00 O ATOM 1914 CB ILE A 123 5.438 -1.716 -6.515 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.479 -0.568 -6.879 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.795 -1.084 -6.164 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.890 0.301 -8.071 1.00 0.00 C ATOM 0 H ILE A 123 3.959 -4.090 -7.128 1.00 0.00 H new ATOM 0 HA ILE A 123 5.969 -2.353 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 123 5.013 -2.247 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.497 -0.994 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.368 0.076 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.650 -0.299 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.459 -1.848 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.240 -0.656 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.140 1.075 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.854 0.767 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.969 -0.320 -8.964 1.00 0.00 H new ATOM 1929 N ASP A 124 7.418 -4.313 -7.990 1.00 0.00 N ATOM 1930 CA ASP A 124 8.533 -5.214 -7.756 1.00 0.00 C ATOM 1931 C ASP A 124 9.508 -4.568 -6.771 1.00 0.00 C ATOM 1932 O ASP A 124 9.571 -3.340 -6.679 1.00 0.00 O ATOM 1933 CB ASP A 124 9.223 -5.498 -9.097 1.00 0.00 C ATOM 1934 CG ASP A 124 8.866 -6.870 -9.662 1.00 0.00 C ATOM 1935 OD1 ASP A 124 7.730 -7.005 -10.180 1.00 0.00 O ATOM 1936 OD2 ASP A 124 9.736 -7.763 -9.678 1.00 0.00 O ATOM 0 H ASP A 124 7.408 -3.957 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 124 8.183 -6.153 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.942 -4.729 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.303 -5.433 -8.967 1.00 0.00 H new ATOM 1941 N PHE A 125 10.287 -5.354 -6.035 1.00 0.00 N ATOM 1942 CA PHE A 125 11.288 -4.859 -5.095 1.00 0.00 C ATOM 1943 C PHE A 125 12.481 -5.821 -5.000 1.00 0.00 C ATOM 1944 O PHE A 125 12.469 -6.900 -5.590 1.00 0.00 O ATOM 1945 CB PHE A 125 10.601 -4.599 -3.734 1.00 0.00 C ATOM 1946 CG PHE A 125 9.828 -5.747 -3.091 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.376 -7.041 -2.971 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.556 -5.497 -2.534 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.652 -8.069 -2.352 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.840 -6.527 -1.896 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.382 -7.818 -1.814 1.00 0.00 C ATOM 0 H PHE A 125 10.240 -6.372 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 125 11.706 -3.916 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.367 -4.276 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.913 -3.763 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.363 -7.242 -3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 125 8.128 -4.507 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.075 -9.061 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.870 -6.323 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.825 -8.613 -1.340 1.00 0.00 H new ATOM 1961 N GLU A 126 13.496 -5.479 -4.203 1.00 0.00 N ATOM 1962 CA GLU A 126 14.605 -6.360 -3.850 1.00 0.00 C ATOM 1963 C GLU A 126 14.467 -6.691 -2.351 1.00 0.00 C ATOM 1964 O GLU A 126 13.776 -5.961 -1.629 1.00 0.00 O ATOM 1965 CB GLU A 126 15.877 -5.684 -4.368 1.00 0.00 C ATOM 1966 CG GLU A 126 16.042 -5.793 -5.895 1.00 0.00 C ATOM 1967 CD GLU A 126 17.191 -6.684 -6.353 1.00 0.00 C ATOM 1968 OE1 GLU A 126 16.986 -7.907 -6.504 1.00 0.00 O ATOM 1969 OE2 GLU A 126 18.267 -6.137 -6.705 1.00 0.00 O ATOM 0 H GLU A 126 13.568 -4.556 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 126 14.627 -7.345 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.863 -4.632 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.743 -6.133 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.114 -6.174 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.192 -4.793 -6.302 1.00 0.00 H new ATOM 1976 N ARG A 127 15.008 -7.828 -1.894 1.00 0.00 N ATOM 1977 CA ARG A 127 14.782 -8.417 -0.573 1.00 0.00 C ATOM 1978 C ARG A 127 16.090 -8.470 0.212 1.00 0.00 C ATOM 1979 O ARG A 127 16.770 -9.491 0.191 1.00 0.00 O ATOM 1980 CB ARG A 127 14.194 -9.832 -0.735 1.00 0.00 C ATOM 1981 CG ARG A 127 12.720 -9.859 -1.156 1.00 0.00 C ATOM 1982 CD ARG A 127 11.790 -9.532 0.017 1.00 0.00 C ATOM 1983 NE ARG A 127 11.896 -10.533 1.095 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.446 -11.794 1.074 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.518 -12.195 0.214 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.947 -12.679 1.920 1.00 0.00 N ATOM 0 H ARG A 127 15.644 -8.386 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 127 14.075 -7.799 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.781 -10.374 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.300 -10.367 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.558 -9.141 -1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.473 -10.844 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.035 -8.546 0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.760 -9.487 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 127 12.363 -10.232 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.126 -11.535 -0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.197 -13.163 0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.671 -12.399 2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.610 -13.642 1.910 1.00 0.00 H new ATOM 2000 N GLU A 128 16.364 -7.407 0.961 1.00 0.00 N ATOM 2001 CA GLU A 128 17.627 -7.079 1.621 1.00 0.00 C ATOM 2002 C GLU A 128 18.797 -6.988 0.639 1.00 0.00 C ATOM 2003 O GLU A 128 19.734 -6.216 0.938 1.00 0.00 O ATOM 2004 CB GLU A 128 17.926 -7.939 2.865 1.00 0.00 C ATOM 2005 CG GLU A 128 16.893 -7.833 4.004 1.00 0.00 C ATOM 2006 CD GLU A 128 17.333 -8.475 5.338 1.00 0.00 C ATOM 2007 OE1 GLU A 128 18.320 -8.025 5.962 1.00 0.00 O ATOM 2008 OE2 GLU A 128 16.596 -9.336 5.872 1.00 0.00 O ATOM 0 H GLU A 128 15.655 -6.696 1.137 1.00 0.00 H new ATOM 0 HA GLU A 128 17.495 -6.073 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 128 17.996 -8.982 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 128 18.903 -7.656 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 128 16.672 -6.780 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 128 15.965 -8.303 3.679 1.00 0.00 H new