USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -139:sc= -0.242 (180deg=-2.35!) USER MOD Set 1.2: A 106 THR OG1 : rot -14:sc= -0.121 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 4 ASN : amide:sc= -0.794 K(o=-0.79,f=-0.26) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= 0.815 (180deg=-0.131) USER MOD Single : A 23 TYR OH : rot 89:sc= 0.388 USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0307) USER MOD Single : A 26 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.943 K(o=-0.94,f=-0.15) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 110:sc= -0.329 USER MOD Single : A 43 MET CE :methyl -158:sc= -3.19! (180deg=-4.46!) USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.28) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= -0.0568 (180deg=-0.919) USER MOD Single : A 57 GLN : amide:sc= -0.585 K(o=-0.58,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.053) USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= -0.314 (180deg=-1.13) USER MOD Single : A 73 SER OG : rot -88:sc= 0.23 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= -0.261 (180deg=-2.79!) USER MOD Single : A 88 HIS : no HD1:sc= -0.05 X(o=-0.05,f=-0.0046) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 97 ASN : amide:sc= -0.588 K(o=-0.59,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.0075) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.697 -0.412 1.181 1.00 62.51 N ATOM 2 CA SER A 3 3.273 0.462 0.094 1.00 51.11 C ATOM 3 C SER A 3 2.187 -0.203 -0.746 1.00 63.45 C ATOM 4 O SER A 3 1.728 -1.300 -0.431 1.00 31.11 O ATOM 5 CB SER A 3 4.466 0.827 -0.791 1.00 4.33 C ATOM 6 OG SER A 3 4.250 2.060 -1.456 1.00 22.15 O ATOM 0 HA SER A 3 2.863 1.372 0.532 1.00 51.11 H new ATOM 0 HB2 SER A 3 5.368 0.892 -0.182 1.00 4.33 H new ATOM 0 HB3 SER A 3 4.633 0.039 -1.525 1.00 4.33 H new ATOM 0 HG SER A 3 5.028 2.271 -2.014 1.00 22.15 H new ATOM 12 N ASN A 4 1.782 0.469 -1.819 1.00 1.53 N ATOM 13 CA ASN A 4 0.750 -0.055 -2.705 1.00 71.34 C ATOM 14 C ASN A 4 1.330 -1.093 -3.662 1.00 3.24 C ATOM 15 O ASN A 4 0.658 -2.054 -4.034 1.00 14.41 O ATOM 16 CB ASN A 4 0.104 1.082 -3.500 1.00 21.24 C ATOM 17 CG ASN A 4 1.076 1.741 -4.459 1.00 53.14 C ATOM 18 OD1 ASN A 4 1.694 2.756 -4.135 1.00 75.55 O ATOM 19 ND2 ASN A 4 1.215 1.166 -5.648 1.00 53.13 N ATOM 0 H ASN A 4 2.153 1.378 -2.096 1.00 1.53 H new ATOM 0 HA ASN A 4 -0.010 -0.537 -2.090 1.00 71.34 H new ATOM 0 HB2 ASN A 4 -0.747 0.693 -4.059 1.00 21.24 H new ATOM 0 HB3 ASN A 4 -0.284 1.830 -2.809 1.00 21.24 H new ATOM 0 HD21 ASN A 4 1.854 1.565 -6.336 1.00 53.13 H new ATOM 0 HD22 ASN A 4 0.683 0.326 -5.873 1.00 53.13 H new ATOM 26 N ALA A 5 2.584 -0.891 -4.055 1.00 32.43 N ATOM 27 CA ALA A 5 3.256 -1.810 -4.965 1.00 71.20 C ATOM 28 C ALA A 5 4.248 -2.695 -4.218 1.00 70.32 C ATOM 29 O ALA A 5 5.093 -3.349 -4.828 1.00 44.41 O ATOM 30 CB ALA A 5 3.962 -1.037 -6.069 1.00 23.12 C ATOM 0 H ALA A 5 3.154 -0.099 -3.757 1.00 32.43 H new ATOM 0 HA ALA A 5 2.501 -2.455 -5.414 1.00 71.20 H new ATOM 0 HB1 ALA A 5 4.460 -1.736 -6.741 1.00 23.12 H new ATOM 0 HB2 ALA A 5 3.231 -0.453 -6.629 1.00 23.12 H new ATOM 0 HB3 ALA A 5 4.701 -0.368 -5.629 1.00 23.12 H new ATOM 36 N GLY A 6 4.139 -2.711 -2.893 1.00 62.20 N ATOM 37 CA GLY A 6 5.034 -3.519 -2.085 1.00 32.01 C ATOM 38 C GLY A 6 5.059 -4.970 -2.522 1.00 72.21 C ATOM 39 O GLY A 6 6.049 -5.671 -2.316 1.00 4.42 O ATOM 0 H GLY A 6 3.447 -2.179 -2.365 1.00 62.20 H new ATOM 0 HA2 GLY A 6 6.042 -3.108 -2.143 1.00 32.01 H new ATOM 0 HA3 GLY A 6 4.726 -3.463 -1.041 1.00 32.01 H new ATOM 43 N ALA A 7 3.965 -5.423 -3.126 1.00 63.53 N ATOM 44 CA ALA A 7 3.866 -6.801 -3.594 1.00 10.53 C ATOM 45 C ALA A 7 5.013 -7.144 -4.538 1.00 23.04 C ATOM 46 O ALA A 7 5.647 -8.192 -4.404 1.00 54.42 O ATOM 47 CB ALA A 7 2.528 -7.029 -4.281 1.00 70.30 C ATOM 0 H ALA A 7 3.135 -4.857 -3.303 1.00 63.53 H new ATOM 0 HA ALA A 7 3.935 -7.459 -2.728 1.00 10.53 H new ATOM 0 HB1 ALA A 7 2.467 -8.061 -4.626 1.00 70.30 H new ATOM 0 HB2 ALA A 7 1.719 -6.833 -3.577 1.00 70.30 H new ATOM 0 HB3 ALA A 7 2.437 -6.356 -5.134 1.00 70.30 H new ATOM 53 N ILE A 8 5.275 -6.256 -5.491 1.00 32.20 N ATOM 54 CA ILE A 8 6.346 -6.466 -6.457 1.00 24.34 C ATOM 55 C ILE A 8 7.715 -6.293 -5.806 1.00 15.31 C ATOM 56 O ILE A 8 8.661 -7.012 -6.126 1.00 12.55 O ATOM 57 CB ILE A 8 6.230 -5.496 -7.647 1.00 33.01 C ATOM 58 CG1 ILE A 8 4.872 -5.658 -8.334 1.00 23.10 C ATOM 59 CG2 ILE A 8 7.362 -5.732 -8.636 1.00 34.33 C ATOM 60 CD1 ILE A 8 3.813 -4.713 -7.810 1.00 63.53 C ATOM 0 H ILE A 8 4.760 -5.384 -5.615 1.00 32.20 H new ATOM 0 HA ILE A 8 6.246 -7.488 -6.822 1.00 24.34 H new ATOM 0 HB ILE A 8 6.308 -4.475 -7.273 1.00 33.01 H new ATOM 0 HG12 ILE A 8 4.994 -5.496 -9.405 1.00 23.10 H new ATOM 0 HG13 ILE A 8 4.528 -6.684 -8.204 1.00 23.10 H new ATOM 0 HG21 ILE A 8 7.266 -5.039 -9.471 1.00 34.33 H new ATOM 0 HG22 ILE A 8 8.319 -5.571 -8.139 1.00 34.33 H new ATOM 0 HG23 ILE A 8 7.314 -6.756 -9.007 1.00 34.33 H new ATOM 0 HD11 ILE A 8 2.877 -4.884 -8.342 1.00 63.53 H new ATOM 0 HD12 ILE A 8 3.662 -4.890 -6.745 1.00 63.53 H new ATOM 0 HD13 ILE A 8 4.135 -3.683 -7.965 1.00 63.53 H new ATOM 72 N ALA A 9 7.811 -5.335 -4.890 1.00 13.32 N ATOM 73 CA ALA A 9 9.062 -5.069 -4.191 1.00 31.03 C ATOM 74 C ALA A 9 9.477 -6.261 -3.335 1.00 74.33 C ATOM 75 O ALA A 9 10.665 -6.510 -3.132 1.00 43.41 O ATOM 76 CB ALA A 9 8.931 -3.820 -3.331 1.00 64.33 C ATOM 0 H ALA A 9 7.037 -4.730 -4.615 1.00 13.32 H new ATOM 0 HA ALA A 9 9.838 -4.903 -4.938 1.00 31.03 H new ATOM 0 HB1 ALA A 9 9.873 -3.633 -2.815 1.00 64.33 H new ATOM 0 HB2 ALA A 9 8.689 -2.966 -3.964 1.00 64.33 H new ATOM 0 HB3 ALA A 9 8.138 -3.965 -2.598 1.00 64.33 H new ATOM 82 N LYS A 10 8.489 -6.997 -2.835 1.00 44.41 N ATOM 83 CA LYS A 10 8.751 -8.164 -2.001 1.00 52.14 C ATOM 84 C LYS A 10 9.330 -9.306 -2.830 1.00 43.33 C ATOM 85 O LYS A 10 9.892 -10.258 -2.287 1.00 45.31 O ATOM 86 CB LYS A 10 7.464 -8.622 -1.312 1.00 33.22 C ATOM 87 CG LYS A 10 7.197 -7.918 0.007 1.00 35.33 C ATOM 88 CD LYS A 10 6.196 -8.685 0.856 1.00 41.01 C ATOM 89 CE LYS A 10 4.808 -8.664 0.235 1.00 35.44 C ATOM 90 NZ LYS A 10 3.768 -9.149 1.185 1.00 23.24 N ATOM 0 H LYS A 10 7.500 -6.805 -2.993 1.00 44.41 H new ATOM 0 HA LYS A 10 9.482 -7.882 -1.243 1.00 52.14 H new ATOM 0 HB2 LYS A 10 6.622 -8.451 -1.983 1.00 33.22 H new ATOM 0 HB3 LYS A 10 7.518 -9.696 -1.136 1.00 33.22 H new ATOM 0 HG2 LYS A 10 8.132 -7.806 0.557 1.00 35.33 H new ATOM 0 HG3 LYS A 10 6.819 -6.914 -0.185 1.00 35.33 H new ATOM 0 HD2 LYS A 10 6.529 -9.717 0.970 1.00 41.01 H new ATOM 0 HD3 LYS A 10 6.156 -8.250 1.855 1.00 41.01 H new ATOM 0 HE2 LYS A 10 4.567 -7.649 -0.081 1.00 35.44 H new ATOM 0 HE3 LYS A 10 4.801 -9.286 -0.660 1.00 35.44 H new ATOM 0 HZ1 LYS A 10 2.836 -9.119 0.724 1.00 23.24 H new ATOM 0 HZ2 LYS A 10 3.984 -10.126 1.467 1.00 23.24 H new ATOM 0 HZ3 LYS A 10 3.757 -8.540 2.028 1.00 23.24 H new ATOM 104 N LEU A 11 9.191 -9.204 -4.147 1.00 62.25 N ATOM 105 CA LEU A 11 9.703 -10.228 -5.052 1.00 73.10 C ATOM 106 C LEU A 11 11.200 -10.051 -5.284 1.00 31.32 C ATOM 107 O LEU A 11 11.895 -10.994 -5.664 1.00 34.32 O ATOM 108 CB LEU A 11 8.958 -10.175 -6.387 1.00 45.24 C ATOM 109 CG LEU A 11 7.457 -9.894 -6.308 1.00 45.35 C ATOM 110 CD1 LEU A 11 6.847 -9.861 -7.701 1.00 13.32 C ATOM 111 CD2 LEU A 11 6.764 -10.937 -5.445 1.00 22.24 C ATOM 0 H LEU A 11 8.728 -8.423 -4.612 1.00 62.25 H new ATOM 0 HA LEU A 11 9.539 -11.201 -4.590 1.00 73.10 H new ATOM 0 HB2 LEU A 11 9.419 -9.406 -7.007 1.00 45.24 H new ATOM 0 HB3 LEU A 11 9.103 -11.126 -6.899 1.00 45.24 H new ATOM 0 HG LEU A 11 7.313 -8.917 -5.847 1.00 45.35 H new ATOM 0 HD11 LEU A 11 5.778 -9.660 -7.626 1.00 13.32 H new ATOM 0 HD12 LEU A 11 7.323 -9.076 -8.288 1.00 13.32 H new ATOM 0 HD13 LEU A 11 7.001 -10.823 -8.189 1.00 13.32 H new ATOM 0 HD21 LEU A 11 5.697 -10.721 -5.400 1.00 22.24 H new ATOM 0 HD22 LEU A 11 6.916 -11.926 -5.877 1.00 22.24 H new ATOM 0 HD23 LEU A 11 7.182 -10.912 -4.439 1.00 22.24 H new ATOM 123 N ILE A 12 11.690 -8.839 -5.051 1.00 2.44 N ATOM 124 CA ILE A 12 13.105 -8.540 -5.231 1.00 4.21 C ATOM 125 C ILE A 12 13.977 -9.499 -4.427 1.00 74.45 C ATOM 126 O ILE A 12 14.834 -10.199 -4.967 1.00 43.43 O ATOM 127 CB ILE A 12 13.433 -7.094 -4.813 1.00 23.22 C ATOM 128 CG1 ILE A 12 13.232 -6.141 -5.993 1.00 2.14 C ATOM 129 CG2 ILE A 12 14.859 -7.005 -4.289 1.00 50.45 C ATOM 130 CD1 ILE A 12 14.211 -6.364 -7.124 1.00 23.52 C ATOM 0 H ILE A 12 11.128 -8.048 -4.737 1.00 2.44 H new ATOM 0 HA ILE A 12 13.320 -8.661 -6.293 1.00 4.21 H new ATOM 0 HB ILE A 12 12.754 -6.799 -4.013 1.00 23.22 H new ATOM 0 HG12 ILE A 12 12.217 -6.256 -6.374 1.00 2.14 H new ATOM 0 HG13 ILE A 12 13.325 -5.114 -5.640 1.00 2.14 H new ATOM 0 HG21 ILE A 12 15.076 -5.977 -3.998 1.00 50.45 H new ATOM 0 HG22 ILE A 12 14.970 -7.659 -3.424 1.00 50.45 H new ATOM 0 HG23 ILE A 12 15.554 -7.315 -5.070 1.00 50.45 H new ATOM 0 HD11 ILE A 12 14.009 -5.653 -7.925 1.00 23.52 H new ATOM 0 HD12 ILE A 12 15.228 -6.220 -6.759 1.00 23.52 H new ATOM 0 HD13 ILE A 12 14.103 -7.380 -7.504 1.00 23.52 H new ATOM 142 N PRO A 13 13.752 -9.537 -3.106 1.00 1.34 N ATOM 143 CA PRO A 13 14.505 -10.409 -2.199 1.00 51.22 C ATOM 144 C PRO A 13 14.166 -11.882 -2.397 1.00 73.14 C ATOM 145 O PRO A 13 14.975 -12.762 -2.102 1.00 41.33 O ATOM 146 CB PRO A 13 14.065 -9.941 -0.810 1.00 14.12 C ATOM 147 CG PRO A 13 12.717 -9.343 -1.021 1.00 53.20 C ATOM 148 CD PRO A 13 12.746 -8.731 -2.394 1.00 53.22 C ATOM 0 HA PRO A 13 15.580 -10.340 -2.366 1.00 51.22 H new ATOM 0 HB2 PRO A 13 14.023 -10.773 -0.107 1.00 14.12 H new ATOM 0 HB3 PRO A 13 14.762 -9.211 -0.399 1.00 14.12 H new ATOM 0 HG2 PRO A 13 11.938 -10.102 -0.948 1.00 53.20 H new ATOM 0 HG3 PRO A 13 12.501 -8.590 -0.263 1.00 53.20 H new ATOM 0 HD2 PRO A 13 11.771 -8.785 -2.879 1.00 53.22 H new ATOM 0 HD3 PRO A 13 13.026 -7.678 -2.359 1.00 53.22 H new ATOM 156 N LYS A 14 12.964 -12.145 -2.900 1.00 30.45 N ATOM 157 CA LYS A 14 12.517 -13.512 -3.139 1.00 62.44 C ATOM 158 C LYS A 14 13.517 -14.267 -4.011 1.00 13.45 C ATOM 159 O LYS A 14 13.806 -15.439 -3.768 1.00 5.00 O ATOM 160 CB LYS A 14 11.141 -13.511 -3.808 1.00 52.05 C ATOM 161 CG LYS A 14 10.001 -13.828 -2.856 1.00 21.22 C ATOM 162 CD LYS A 14 9.981 -15.301 -2.481 1.00 51.33 C ATOM 163 CE LYS A 14 9.357 -16.147 -3.580 1.00 50.14 C ATOM 164 NZ LYS A 14 7.881 -15.963 -3.651 1.00 71.24 N ATOM 0 H LYS A 14 12.282 -11.429 -3.150 1.00 30.45 H new ATOM 0 HA LYS A 14 12.446 -14.018 -2.176 1.00 62.44 H new ATOM 0 HB2 LYS A 14 10.966 -12.534 -4.258 1.00 52.05 H new ATOM 0 HB3 LYS A 14 11.140 -14.240 -4.618 1.00 52.05 H new ATOM 0 HG2 LYS A 14 10.100 -13.223 -1.954 1.00 21.22 H new ATOM 0 HG3 LYS A 14 9.053 -13.557 -3.319 1.00 21.22 H new ATOM 0 HD2 LYS A 14 10.998 -15.643 -2.290 1.00 51.33 H new ATOM 0 HD3 LYS A 14 9.421 -15.434 -1.555 1.00 51.33 H new ATOM 0 HE2 LYS A 14 9.802 -15.883 -4.539 1.00 50.14 H new ATOM 0 HE3 LYS A 14 9.584 -17.198 -3.402 1.00 50.14 H new ATOM 0 HZ1 LYS A 14 7.417 -16.893 -3.693 1.00 71.24 H new ATOM 0 HZ2 LYS A 14 7.554 -15.451 -2.807 1.00 71.24 H new ATOM 0 HZ3 LYS A 14 7.640 -15.417 -4.503 1.00 71.24 H new ATOM 178 N LEU A 15 14.042 -13.587 -5.024 1.00 72.10 N ATOM 179 CA LEU A 15 15.011 -14.193 -5.931 1.00 10.32 C ATOM 180 C LEU A 15 16.427 -14.068 -5.377 1.00 53.20 C ATOM 181 O LEU A 15 17.292 -14.893 -5.665 1.00 61.34 O ATOM 182 CB LEU A 15 14.930 -13.534 -7.309 1.00 63.10 C ATOM 183 CG LEU A 15 13.566 -13.584 -7.998 1.00 11.53 C ATOM 184 CD1 LEU A 15 13.348 -12.336 -8.840 1.00 73.41 C ATOM 185 CD2 LEU A 15 13.446 -14.836 -8.854 1.00 52.41 C ATOM 0 H LEU A 15 13.813 -12.616 -5.238 1.00 72.10 H new ATOM 0 HA LEU A 15 14.770 -15.252 -6.027 1.00 10.32 H new ATOM 0 HB2 LEU A 15 15.226 -12.490 -7.208 1.00 63.10 H new ATOM 0 HB3 LEU A 15 15.662 -14.011 -7.961 1.00 63.10 H new ATOM 0 HG LEU A 15 12.793 -13.619 -7.230 1.00 11.53 H new ATOM 0 HD11 LEU A 15 12.372 -12.389 -9.323 1.00 73.41 H new ATOM 0 HD12 LEU A 15 13.389 -11.454 -8.201 1.00 73.41 H new ATOM 0 HD13 LEU A 15 14.126 -12.270 -9.600 1.00 73.41 H new ATOM 0 HD21 LEU A 15 12.469 -14.855 -9.337 1.00 52.41 H new ATOM 0 HD22 LEU A 15 14.226 -14.833 -9.615 1.00 52.41 H new ATOM 0 HD23 LEU A 15 13.557 -15.719 -8.225 1.00 52.41 H new ATOM 197 N GLY A 16 16.655 -13.030 -4.578 1.00 11.13 N ATOM 198 CA GLY A 16 17.966 -12.817 -3.994 1.00 65.23 C ATOM 199 C GLY A 16 18.482 -14.042 -3.264 1.00 51.53 C ATOM 200 O GLY A 16 19.662 -14.376 -3.358 1.00 23.02 O ATOM 0 H GLY A 16 15.955 -12.333 -4.325 1.00 11.13 H new ATOM 0 HA2 GLY A 16 18.670 -12.543 -4.780 1.00 65.23 H new ATOM 0 HA3 GLY A 16 17.919 -11.977 -3.300 1.00 65.23 H new ATOM 204 N GLU A 17 17.595 -14.710 -2.534 1.00 71.41 N ATOM 205 CA GLU A 17 17.969 -15.903 -1.783 1.00 74.22 C ATOM 206 C GLU A 17 18.533 -16.976 -2.711 1.00 13.51 C ATOM 207 O GLU A 17 19.409 -17.750 -2.323 1.00 51.32 O ATOM 208 CB GLU A 17 16.760 -16.455 -1.024 1.00 51.50 C ATOM 209 CG GLU A 17 17.009 -16.641 0.463 1.00 33.13 C ATOM 210 CD GLU A 17 18.118 -17.634 0.749 1.00 24.20 C ATOM 211 OE1 GLU A 17 17.849 -18.853 0.710 1.00 45.14 O ATOM 212 OE2 GLU A 17 19.256 -17.192 1.012 1.00 44.21 O ATOM 0 H GLU A 17 16.614 -14.446 -2.446 1.00 71.41 H new ATOM 0 HA GLU A 17 18.742 -15.623 -1.067 1.00 74.22 H new ATOM 0 HB2 GLU A 17 15.916 -15.779 -1.161 1.00 51.50 H new ATOM 0 HB3 GLU A 17 16.475 -17.413 -1.459 1.00 51.50 H new ATOM 0 HG2 GLU A 17 17.264 -15.679 0.908 1.00 33.13 H new ATOM 0 HG3 GLU A 17 16.090 -16.980 0.942 1.00 33.13 H new ATOM 219 N LEU A 18 18.024 -17.015 -3.937 1.00 61.34 N ATOM 220 CA LEU A 18 18.476 -17.993 -4.922 1.00 11.33 C ATOM 221 C LEU A 18 19.714 -17.492 -5.658 1.00 2.40 C ATOM 222 O LEU A 18 20.301 -18.210 -6.468 1.00 24.21 O ATOM 223 CB LEU A 18 17.359 -18.291 -5.923 1.00 51.12 C ATOM 224 CG LEU A 18 16.637 -19.627 -5.745 1.00 52.02 C ATOM 225 CD1 LEU A 18 17.623 -20.782 -5.826 1.00 2.33 C ATOM 226 CD2 LEU A 18 15.886 -19.655 -4.422 1.00 24.44 C ATOM 0 H LEU A 18 17.299 -16.382 -4.273 1.00 61.34 H new ATOM 0 HA LEU A 18 18.737 -18.910 -4.394 1.00 11.33 H new ATOM 0 HB2 LEU A 18 16.621 -17.491 -5.862 1.00 51.12 H new ATOM 0 HB3 LEU A 18 17.781 -18.260 -6.928 1.00 51.12 H new ATOM 0 HG LEU A 18 15.913 -19.738 -6.553 1.00 52.02 H new ATOM 0 HD11 LEU A 18 17.091 -21.724 -5.697 1.00 2.33 H new ATOM 0 HD12 LEU A 18 18.115 -20.773 -6.799 1.00 2.33 H new ATOM 0 HD13 LEU A 18 18.371 -20.677 -5.040 1.00 2.33 H new ATOM 0 HD21 LEU A 18 15.378 -20.613 -4.312 1.00 24.44 H new ATOM 0 HD22 LEU A 18 16.590 -19.521 -3.601 1.00 24.44 H new ATOM 0 HD23 LEU A 18 15.151 -18.850 -4.404 1.00 24.44 H new ATOM 238 N LEU A 19 20.107 -16.256 -5.370 1.00 44.22 N ATOM 239 CA LEU A 19 21.278 -15.658 -6.003 1.00 62.42 C ATOM 240 C LEU A 19 22.507 -15.789 -5.109 1.00 70.20 C ATOM 241 O LEU A 19 23.615 -15.425 -5.502 1.00 64.30 O ATOM 242 CB LEU A 19 21.016 -14.184 -6.317 1.00 63.41 C ATOM 243 CG LEU A 19 20.720 -13.852 -7.780 1.00 1.11 C ATOM 244 CD1 LEU A 19 21.864 -14.306 -8.673 1.00 22.32 C ATOM 245 CD2 LEU A 19 19.412 -14.494 -8.218 1.00 52.33 C ATOM 0 H LEU A 19 19.632 -15.648 -4.702 1.00 44.22 H new ATOM 0 HA LEU A 19 21.470 -16.192 -6.933 1.00 62.42 H new ATOM 0 HB2 LEU A 19 20.174 -13.848 -5.712 1.00 63.41 H new ATOM 0 HB3 LEU A 19 21.885 -13.606 -6.003 1.00 63.41 H new ATOM 0 HG LEU A 19 20.621 -12.771 -7.874 1.00 1.11 H new ATOM 0 HD11 LEU A 19 21.635 -14.061 -9.710 1.00 22.32 H new ATOM 0 HD12 LEU A 19 22.782 -13.799 -8.375 1.00 22.32 H new ATOM 0 HD13 LEU A 19 21.996 -15.384 -8.575 1.00 22.32 H new ATOM 0 HD21 LEU A 19 19.217 -14.247 -9.262 1.00 52.33 H new ATOM 0 HD22 LEU A 19 19.483 -15.576 -8.108 1.00 52.33 H new ATOM 0 HD23 LEU A 19 18.597 -14.119 -7.598 1.00 52.33 H new ATOM 257 N VAL A 20 22.303 -16.313 -3.905 1.00 30.44 N ATOM 258 CA VAL A 20 23.395 -16.496 -2.955 1.00 55.23 C ATOM 259 C VAL A 20 24.211 -17.739 -3.289 1.00 63.03 C ATOM 260 O VAL A 20 25.409 -17.799 -3.017 1.00 23.35 O ATOM 261 CB VAL A 20 22.870 -16.612 -1.512 1.00 34.30 C ATOM 262 CG1 VAL A 20 21.995 -15.417 -1.163 1.00 64.45 C ATOM 263 CG2 VAL A 20 22.105 -17.915 -1.327 1.00 43.50 C ATOM 0 H VAL A 20 21.392 -16.619 -3.564 1.00 30.44 H new ATOM 0 HA VAL A 20 24.032 -15.615 -3.032 1.00 55.23 H new ATOM 0 HB VAL A 20 23.723 -16.617 -0.833 1.00 34.30 H new ATOM 0 HG11 VAL A 20 21.634 -15.517 -0.140 1.00 64.45 H new ATOM 0 HG12 VAL A 20 22.578 -14.500 -1.254 1.00 64.45 H new ATOM 0 HG13 VAL A 20 21.146 -15.376 -1.845 1.00 64.45 H new ATOM 0 HG21 VAL A 20 21.741 -17.981 -0.302 1.00 43.50 H new ATOM 0 HG22 VAL A 20 21.260 -17.941 -2.015 1.00 43.50 H new ATOM 0 HG23 VAL A 20 22.766 -18.757 -1.532 1.00 43.50 H new ATOM 273 N GLY A 21 23.554 -18.731 -3.883 1.00 12.31 N ATOM 274 CA GLY A 21 24.235 -19.960 -4.245 1.00 52.13 C ATOM 275 C GLY A 21 24.364 -20.917 -3.077 1.00 23.10 C ATOM 276 O GLY A 21 25.305 -21.708 -3.017 1.00 34.34 O ATOM 0 H GLY A 21 22.562 -18.705 -4.120 1.00 12.31 H new ATOM 0 HA2 GLY A 21 23.691 -20.449 -5.053 1.00 52.13 H new ATOM 0 HA3 GLY A 21 25.228 -19.723 -4.628 1.00 52.13 H new ATOM 280 N GLU A 22 23.418 -20.844 -2.146 1.00 41.30 N ATOM 281 CA GLU A 22 23.433 -21.709 -0.973 1.00 21.33 C ATOM 282 C GLU A 22 22.344 -22.774 -1.068 1.00 64.35 C ATOM 283 O GLU A 22 21.305 -22.675 -0.416 1.00 72.31 O ATOM 284 CB GLU A 22 23.243 -20.883 0.301 1.00 53.12 C ATOM 285 CG GLU A 22 23.261 -21.713 1.573 1.00 15.14 C ATOM 286 CD GLU A 22 24.667 -22.019 2.051 1.00 51.12 C ATOM 287 OE1 GLU A 22 25.437 -22.623 1.276 1.00 64.24 O ATOM 288 OE2 GLU A 22 24.997 -21.655 3.199 1.00 52.44 O ATOM 0 H GLU A 22 22.632 -20.195 -2.182 1.00 41.30 H new ATOM 0 HA GLU A 22 24.402 -22.207 -0.934 1.00 21.33 H new ATOM 0 HB2 GLU A 22 24.030 -20.131 0.357 1.00 53.12 H new ATOM 0 HB3 GLU A 22 22.295 -20.349 0.239 1.00 53.12 H new ATOM 0 HG2 GLU A 22 22.723 -21.181 2.357 1.00 15.14 H new ATOM 0 HG3 GLU A 22 22.729 -22.648 1.399 1.00 15.14 H new ATOM 295 N TYR A 23 22.591 -23.792 -1.886 1.00 52.32 N ATOM 296 CA TYR A 23 21.631 -24.874 -2.071 1.00 2.15 C ATOM 297 C TYR A 23 22.336 -26.164 -2.478 1.00 45.35 C ATOM 298 O TYR A 23 23.565 -26.223 -2.534 1.00 70.32 O ATOM 299 CB TYR A 23 20.595 -24.490 -3.128 1.00 15.03 C ATOM 300 CG TYR A 23 19.690 -23.355 -2.705 1.00 10.35 C ATOM 301 CD1 TYR A 23 18.519 -23.599 -1.997 1.00 65.32 C ATOM 302 CD2 TYR A 23 20.007 -22.037 -3.011 1.00 54.04 C ATOM 303 CE1 TYR A 23 17.690 -22.565 -1.609 1.00 71.13 C ATOM 304 CE2 TYR A 23 19.184 -20.996 -2.626 1.00 74.33 C ATOM 305 CZ TYR A 23 18.026 -21.266 -1.926 1.00 43.50 C ATOM 306 OH TYR A 23 17.203 -20.232 -1.540 1.00 62.42 O ATOM 0 H TYR A 23 23.448 -23.890 -2.431 1.00 52.32 H new ATOM 0 HA TYR A 23 21.125 -25.043 -1.121 1.00 2.15 H new ATOM 0 HB2 TYR A 23 21.112 -24.209 -4.046 1.00 15.03 H new ATOM 0 HB3 TYR A 23 19.985 -25.363 -3.360 1.00 15.03 H new ATOM 0 HD1 TYR A 23 18.253 -24.615 -1.746 1.00 65.32 H new ATOM 0 HD2 TYR A 23 20.912 -21.823 -3.559 1.00 54.04 H new ATOM 0 HE1 TYR A 23 16.783 -22.773 -1.060 1.00 71.13 H new ATOM 0 HE2 TYR A 23 19.446 -19.977 -2.871 1.00 74.33 H new ATOM 0 HH TYR A 23 17.466 -19.920 -0.649 1.00 62.42 H new ATOM 316 N LYS A 24 21.550 -27.196 -2.764 1.00 14.31 N ATOM 317 CA LYS A 24 22.095 -28.486 -3.169 1.00 44.41 C ATOM 318 C LYS A 24 21.847 -28.739 -4.653 1.00 24.44 C ATOM 319 O LYS A 24 21.257 -29.753 -5.029 1.00 51.33 O ATOM 320 CB LYS A 24 21.473 -29.610 -2.338 1.00 4.35 C ATOM 321 CG LYS A 24 22.188 -30.942 -2.485 1.00 13.01 C ATOM 322 CD LYS A 24 21.778 -31.918 -1.395 1.00 10.03 C ATOM 323 CE LYS A 24 20.514 -32.675 -1.771 1.00 71.52 C ATOM 324 NZ LYS A 24 20.786 -33.749 -2.766 1.00 63.15 N ATOM 0 H LYS A 24 20.531 -27.164 -2.723 1.00 14.31 H new ATOM 0 HA LYS A 24 23.171 -28.468 -2.996 1.00 44.41 H new ATOM 0 HB2 LYS A 24 21.477 -29.319 -1.288 1.00 4.35 H new ATOM 0 HB3 LYS A 24 20.430 -29.733 -2.631 1.00 4.35 H new ATOM 0 HG2 LYS A 24 21.964 -31.371 -3.462 1.00 13.01 H new ATOM 0 HG3 LYS A 24 23.266 -30.784 -2.446 1.00 13.01 H new ATOM 0 HD2 LYS A 24 22.587 -32.626 -1.216 1.00 10.03 H new ATOM 0 HD3 LYS A 24 21.615 -31.377 -0.463 1.00 10.03 H new ATOM 0 HE2 LYS A 24 20.073 -33.113 -0.876 1.00 71.52 H new ATOM 0 HE3 LYS A 24 19.782 -31.979 -2.179 1.00 71.52 H new ATOM 0 HZ1 LYS A 24 19.964 -33.857 -3.394 1.00 63.15 H new ATOM 0 HZ2 LYS A 24 21.622 -33.496 -3.330 1.00 63.15 H new ATOM 0 HZ3 LYS A 24 20.962 -34.646 -2.269 1.00 63.15 H new ATOM 338 N LEU A 25 22.303 -27.815 -5.491 1.00 11.35 N ATOM 339 CA LEU A 25 22.132 -27.939 -6.934 1.00 32.21 C ATOM 340 C LEU A 25 23.283 -27.270 -7.678 1.00 54.14 C ATOM 341 O LEU A 25 24.126 -26.608 -7.073 1.00 25.32 O ATOM 342 CB LEU A 25 20.801 -27.319 -7.365 1.00 24.40 C ATOM 343 CG LEU A 25 19.551 -27.865 -6.674 1.00 24.22 C ATOM 344 CD1 LEU A 25 18.349 -26.983 -6.971 1.00 0.34 C ATOM 345 CD2 LEU A 25 19.284 -29.298 -7.110 1.00 31.55 C ATOM 0 H LEU A 25 22.794 -26.971 -5.196 1.00 11.35 H new ATOM 0 HA LEU A 25 22.130 -29.000 -7.185 1.00 32.21 H new ATOM 0 HB2 LEU A 25 20.849 -26.245 -7.188 1.00 24.40 H new ATOM 0 HB3 LEU A 25 20.689 -27.460 -8.440 1.00 24.40 H new ATOM 0 HG LEU A 25 19.722 -27.860 -5.598 1.00 24.22 H new ATOM 0 HD11 LEU A 25 17.469 -27.387 -6.471 1.00 0.34 H new ATOM 0 HD12 LEU A 25 18.540 -25.973 -6.609 1.00 0.34 H new ATOM 0 HD13 LEU A 25 18.175 -26.956 -8.047 1.00 0.34 H new ATOM 0 HD21 LEU A 25 18.391 -29.671 -6.608 1.00 31.55 H new ATOM 0 HD22 LEU A 25 19.133 -29.328 -8.189 1.00 31.55 H new ATOM 0 HD23 LEU A 25 20.136 -29.924 -6.845 1.00 31.55 H new ATOM 357 N HIS A 26 23.310 -27.445 -8.996 1.00 14.41 N ATOM 358 CA HIS A 26 24.356 -26.855 -9.824 1.00 75.01 C ATOM 359 C HIS A 26 24.297 -25.331 -9.769 1.00 64.45 C ATOM 360 O HIS A 26 23.226 -24.745 -9.610 1.00 24.52 O ATOM 361 CB HIS A 26 24.219 -27.331 -11.271 1.00 12.33 C ATOM 362 CG HIS A 26 24.755 -28.710 -11.501 1.00 2.01 C ATOM 363 ND1 HIS A 26 25.876 -29.198 -10.863 1.00 1.21 N ATOM 364 CD2 HIS A 26 24.317 -29.708 -12.304 1.00 12.24 C ATOM 365 CE1 HIS A 26 26.105 -30.435 -11.264 1.00 60.34 C ATOM 366 NE2 HIS A 26 25.173 -30.769 -12.139 1.00 13.14 N ATOM 0 H HIS A 26 22.620 -27.990 -9.513 1.00 14.41 H new ATOM 0 HA HIS A 26 25.321 -27.178 -9.433 1.00 75.01 H new ATOM 0 HB2 HIS A 26 23.167 -27.307 -11.555 1.00 12.33 H new ATOM 0 HB3 HIS A 26 24.741 -26.633 -11.925 1.00 12.33 H new ATOM 0 HD2 HIS A 26 23.455 -29.676 -12.954 1.00 12.24 H new ATOM 0 HE1 HIS A 26 26.916 -31.066 -10.933 1.00 60.34 H new ATOM 0 HE2 HIS A 26 25.101 -31.669 -12.615 1.00 13.14 H new ATOM 374 N LYS A 27 25.456 -24.695 -9.902 1.00 42.13 N ATOM 375 CA LYS A 27 25.538 -23.239 -9.869 1.00 24.52 C ATOM 376 C LYS A 27 24.934 -22.631 -11.130 1.00 71.22 C ATOM 377 O LYS A 27 24.491 -21.483 -11.127 1.00 23.32 O ATOM 378 CB LYS A 27 26.995 -22.794 -9.722 1.00 41.35 C ATOM 379 CG LYS A 27 27.463 -22.707 -8.280 1.00 33.11 C ATOM 380 CD LYS A 27 27.860 -24.071 -7.740 1.00 4.41 C ATOM 381 CE LYS A 27 28.909 -23.952 -6.645 1.00 24.02 C ATOM 382 NZ LYS A 27 30.293 -23.990 -7.195 1.00 75.13 N ATOM 0 H LYS A 27 26.352 -25.165 -10.034 1.00 42.13 H new ATOM 0 HA LYS A 27 24.968 -22.887 -9.009 1.00 24.52 H new ATOM 0 HB2 LYS A 27 27.635 -23.492 -10.261 1.00 41.35 H new ATOM 0 HB3 LYS A 27 27.118 -21.819 -10.194 1.00 41.35 H new ATOM 0 HG2 LYS A 27 28.312 -22.027 -8.212 1.00 33.11 H new ATOM 0 HG3 LYS A 27 26.668 -22.288 -7.663 1.00 33.11 H new ATOM 0 HD2 LYS A 27 26.979 -24.579 -7.348 1.00 4.41 H new ATOM 0 HD3 LYS A 27 28.248 -24.686 -8.552 1.00 4.41 H new ATOM 0 HE2 LYS A 27 28.761 -23.020 -6.100 1.00 24.02 H new ATOM 0 HE3 LYS A 27 28.780 -24.764 -5.929 1.00 24.02 H new ATOM 0 HZ1 LYS A 27 30.978 -23.906 -6.417 1.00 75.13 H new ATOM 0 HZ2 LYS A 27 30.444 -24.890 -7.694 1.00 75.13 H new ATOM 0 HZ3 LYS A 27 30.425 -23.200 -7.859 1.00 75.13 H new ATOM 396 N GLY A 28 24.917 -23.410 -12.208 1.00 43.41 N ATOM 397 CA GLY A 28 24.363 -22.930 -13.461 1.00 23.12 C ATOM 398 C GLY A 28 22.966 -22.366 -13.299 1.00 11.35 C ATOM 399 O GLY A 28 22.621 -21.356 -13.913 1.00 30.21 O ATOM 0 H GLY A 28 25.277 -24.364 -12.236 1.00 43.41 H new ATOM 0 HA2 GLY A 28 25.016 -22.161 -13.873 1.00 23.12 H new ATOM 0 HA3 GLY A 28 24.340 -23.748 -14.181 1.00 23.12 H new ATOM 403 N VAL A 29 22.158 -23.019 -12.470 1.00 32.32 N ATOM 404 CA VAL A 29 20.790 -22.577 -12.229 1.00 35.01 C ATOM 405 C VAL A 29 20.751 -21.111 -11.813 1.00 41.24 C ATOM 406 O VAL A 29 19.789 -20.398 -12.098 1.00 55.14 O ATOM 407 CB VAL A 29 20.109 -23.426 -11.139 1.00 71.20 C ATOM 408 CG1 VAL A 29 18.667 -22.983 -10.939 1.00 64.44 C ATOM 409 CG2 VAL A 29 20.177 -24.904 -11.495 1.00 40.42 C ATOM 0 H VAL A 29 22.427 -23.856 -11.954 1.00 32.32 H new ATOM 0 HA VAL A 29 20.248 -22.700 -13.167 1.00 35.01 H new ATOM 0 HB VAL A 29 20.643 -23.277 -10.200 1.00 71.20 H new ATOM 0 HG11 VAL A 29 18.203 -23.594 -10.165 1.00 64.44 H new ATOM 0 HG12 VAL A 29 18.647 -21.936 -10.635 1.00 64.44 H new ATOM 0 HG13 VAL A 29 18.117 -23.101 -11.873 1.00 64.44 H new ATOM 0 HG21 VAL A 29 19.691 -25.489 -10.714 1.00 40.42 H new ATOM 0 HG22 VAL A 29 19.669 -25.073 -12.444 1.00 40.42 H new ATOM 0 HG23 VAL A 29 21.220 -25.210 -11.582 1.00 40.42 H new ATOM 419 N LYS A 30 21.805 -20.665 -11.138 1.00 31.22 N ATOM 420 CA LYS A 30 21.894 -19.283 -10.683 1.00 43.44 C ATOM 421 C LYS A 30 21.673 -18.314 -11.841 1.00 22.12 C ATOM 422 O LYS A 30 20.932 -17.339 -11.715 1.00 73.23 O ATOM 423 CB LYS A 30 23.259 -19.023 -10.041 1.00 14.35 C ATOM 424 CG LYS A 30 23.530 -19.884 -8.819 1.00 74.44 C ATOM 425 CD LYS A 30 22.496 -19.649 -7.730 1.00 64.14 C ATOM 426 CE LYS A 30 21.361 -20.658 -7.812 1.00 53.44 C ATOM 427 NZ LYS A 30 21.436 -21.667 -6.720 1.00 73.35 N ATOM 0 H LYS A 30 22.610 -21.242 -10.894 1.00 31.22 H new ATOM 0 HA LYS A 30 21.113 -19.120 -9.941 1.00 43.44 H new ATOM 0 HB2 LYS A 30 24.039 -19.201 -10.781 1.00 14.35 H new ATOM 0 HB3 LYS A 30 23.323 -17.973 -9.757 1.00 14.35 H new ATOM 0 HG2 LYS A 30 23.525 -20.936 -9.106 1.00 74.44 H new ATOM 0 HG3 LYS A 30 24.525 -19.664 -8.431 1.00 74.44 H new ATOM 0 HD2 LYS A 30 22.974 -19.716 -6.753 1.00 64.14 H new ATOM 0 HD3 LYS A 30 22.094 -18.640 -7.820 1.00 64.14 H new ATOM 0 HE2 LYS A 30 20.406 -20.135 -7.759 1.00 53.44 H new ATOM 0 HE3 LYS A 30 21.394 -21.164 -8.777 1.00 53.44 H new ATOM 0 HZ1 LYS A 30 20.645 -22.336 -6.811 1.00 73.35 H new ATOM 0 HZ2 LYS A 30 22.336 -22.184 -6.786 1.00 73.35 H new ATOM 0 HZ3 LYS A 30 21.379 -21.187 -5.799 1.00 73.35 H new ATOM 441 N LYS A 31 22.320 -18.589 -12.968 1.00 71.34 N ATOM 442 CA LYS A 31 22.192 -17.744 -14.150 1.00 23.51 C ATOM 443 C LYS A 31 20.729 -17.589 -14.552 1.00 62.23 C ATOM 444 O LYS A 31 20.341 -16.580 -15.140 1.00 22.51 O ATOM 445 CB LYS A 31 22.992 -18.335 -15.313 1.00 62.02 C ATOM 446 CG LYS A 31 24.435 -17.861 -15.362 1.00 75.31 C ATOM 447 CD LYS A 31 25.304 -18.803 -16.178 1.00 75.33 C ATOM 448 CE LYS A 31 25.930 -19.880 -15.306 1.00 21.21 C ATOM 449 NZ LYS A 31 27.227 -19.437 -14.723 1.00 14.24 N ATOM 0 H LYS A 31 22.939 -19.391 -13.088 1.00 71.34 H new ATOM 0 HA LYS A 31 22.590 -16.759 -13.907 1.00 23.51 H new ATOM 0 HB2 LYS A 31 22.978 -19.422 -15.237 1.00 62.02 H new ATOM 0 HB3 LYS A 31 22.501 -18.074 -16.250 1.00 62.02 H new ATOM 0 HG2 LYS A 31 24.476 -16.861 -15.794 1.00 75.31 H new ATOM 0 HG3 LYS A 31 24.829 -17.787 -14.348 1.00 75.31 H new ATOM 0 HD2 LYS A 31 24.703 -19.269 -16.959 1.00 75.33 H new ATOM 0 HD3 LYS A 31 26.089 -18.235 -16.677 1.00 75.33 H new ATOM 0 HE2 LYS A 31 25.242 -20.143 -14.503 1.00 21.21 H new ATOM 0 HE3 LYS A 31 26.087 -20.781 -15.899 1.00 21.21 H new ATOM 0 HZ1 LYS A 31 27.622 -20.199 -14.135 1.00 14.24 H new ATOM 0 HZ2 LYS A 31 27.893 -19.211 -15.489 1.00 14.24 H new ATOM 0 HZ3 LYS A 31 27.073 -18.592 -14.137 1.00 14.24 H new ATOM 463 N ASN A 32 19.922 -18.595 -14.230 1.00 53.44 N ATOM 464 CA ASN A 32 18.501 -18.569 -14.558 1.00 13.42 C ATOM 465 C ASN A 32 17.742 -17.641 -13.614 1.00 11.20 C ATOM 466 O ASN A 32 16.812 -16.946 -14.025 1.00 72.41 O ATOM 467 CB ASN A 32 17.913 -19.980 -14.485 1.00 45.43 C ATOM 468 CG ASN A 32 16.483 -20.037 -14.986 1.00 42.00 C ATOM 469 OD1 ASN A 32 16.220 -20.506 -16.094 1.00 12.44 O ATOM 470 ND2 ASN A 32 15.551 -19.559 -14.170 1.00 2.21 N ATOM 0 H ASN A 32 20.227 -19.437 -13.743 1.00 53.44 H new ATOM 0 HA ASN A 32 18.395 -18.191 -15.575 1.00 13.42 H new ATOM 0 HB2 ASN A 32 18.529 -20.658 -15.075 1.00 45.43 H new ATOM 0 HB3 ASN A 32 17.948 -20.332 -13.454 1.00 45.43 H new ATOM 0 HD21 ASN A 32 14.571 -19.571 -14.452 1.00 2.21 H new ATOM 0 HD22 ASN A 32 15.815 -19.180 -13.261 1.00 2.21 H new ATOM 477 N ILE A 33 18.146 -17.634 -12.348 1.00 72.32 N ATOM 478 CA ILE A 33 17.505 -16.791 -11.347 1.00 3.22 C ATOM 479 C ILE A 33 17.895 -15.328 -11.530 1.00 11.13 C ATOM 480 O ILE A 33 17.035 -14.451 -11.599 1.00 53.21 O ATOM 481 CB ILE A 33 17.874 -17.234 -9.919 1.00 13.25 C ATOM 482 CG1 ILE A 33 17.705 -18.747 -9.771 1.00 64.42 C ATOM 483 CG2 ILE A 33 17.017 -16.498 -8.898 1.00 64.44 C ATOM 484 CD1 ILE A 33 16.303 -19.231 -10.066 1.00 13.13 C ATOM 0 H ILE A 33 18.914 -18.203 -11.992 1.00 72.32 H new ATOM 0 HA ILE A 33 16.429 -16.898 -11.485 1.00 3.22 H new ATOM 0 HB ILE A 33 18.919 -16.984 -9.736 1.00 13.25 H new ATOM 0 HG12 ILE A 33 18.402 -19.249 -10.441 1.00 64.42 H new ATOM 0 HG13 ILE A 33 17.974 -19.037 -8.755 1.00 64.42 H new ATOM 0 HG21 ILE A 33 17.289 -16.822 -7.893 1.00 64.44 H new ATOM 0 HG22 ILE A 33 17.182 -15.425 -8.991 1.00 64.44 H new ATOM 0 HG23 ILE A 33 15.965 -16.720 -9.078 1.00 64.44 H new ATOM 0 HD11 ILE A 33 16.258 -20.313 -9.941 1.00 13.13 H new ATOM 0 HD12 ILE A 33 15.602 -18.757 -9.379 1.00 13.13 H new ATOM 0 HD13 ILE A 33 16.037 -18.973 -11.091 1.00 13.13 H new ATOM 496 N GLU A 34 19.197 -15.073 -11.609 1.00 23.43 N ATOM 497 CA GLU A 34 19.700 -13.716 -11.785 1.00 24.21 C ATOM 498 C GLU A 34 19.015 -13.030 -12.963 1.00 34.30 C ATOM 499 O GLU A 34 18.826 -11.814 -12.963 1.00 4.31 O ATOM 500 CB GLU A 34 21.215 -13.734 -12.002 1.00 71.12 C ATOM 501 CG GLU A 34 21.626 -14.217 -13.383 1.00 20.42 C ATOM 502 CD GLU A 34 23.129 -14.195 -13.585 1.00 73.41 C ATOM 503 OE1 GLU A 34 23.864 -14.404 -12.598 1.00 10.13 O ATOM 504 OE2 GLU A 34 23.569 -13.970 -14.732 1.00 0.22 O ATOM 0 H GLU A 34 19.922 -15.788 -11.554 1.00 23.43 H new ATOM 0 HA GLU A 34 19.476 -13.153 -10.879 1.00 24.21 H new ATOM 0 HB2 GLU A 34 21.608 -12.729 -11.846 1.00 71.12 H new ATOM 0 HB3 GLU A 34 21.674 -14.376 -11.250 1.00 71.12 H new ATOM 0 HG2 GLU A 34 21.258 -15.232 -13.533 1.00 20.42 H new ATOM 0 HG3 GLU A 34 21.152 -13.591 -14.139 1.00 20.42 H new ATOM 511 N ASP A 35 18.644 -13.820 -13.965 1.00 42.53 N ATOM 512 CA ASP A 35 17.979 -13.290 -15.150 1.00 11.21 C ATOM 513 C ASP A 35 16.579 -12.789 -14.809 1.00 1.34 C ATOM 514 O ASP A 35 16.122 -11.778 -15.344 1.00 41.11 O ATOM 515 CB ASP A 35 17.899 -14.361 -16.238 1.00 62.43 C ATOM 516 CG ASP A 35 17.530 -13.786 -17.592 1.00 5.24 C ATOM 517 OD1 ASP A 35 18.447 -13.359 -18.324 1.00 2.42 O ATOM 518 OD2 ASP A 35 16.325 -13.762 -17.918 1.00 41.20 O ATOM 0 H ASP A 35 18.792 -14.829 -13.980 1.00 42.53 H new ATOM 0 HA ASP A 35 18.566 -12.450 -15.520 1.00 11.21 H new ATOM 0 HB2 ASP A 35 18.859 -14.871 -16.313 1.00 62.43 H new ATOM 0 HB3 ASP A 35 17.161 -15.111 -15.952 1.00 62.43 H new ATOM 523 N LEU A 36 15.902 -13.502 -13.915 1.00 64.24 N ATOM 524 CA LEU A 36 14.553 -13.131 -13.503 1.00 3.12 C ATOM 525 C LEU A 36 14.582 -11.926 -12.568 1.00 21.02 C ATOM 526 O LEU A 36 13.753 -11.022 -12.677 1.00 52.21 O ATOM 527 CB LEU A 36 13.867 -14.311 -12.812 1.00 41.41 C ATOM 528 CG LEU A 36 12.929 -15.146 -13.684 1.00 52.30 C ATOM 529 CD1 LEU A 36 12.666 -16.499 -13.041 1.00 54.42 C ATOM 530 CD2 LEU A 36 11.622 -14.404 -13.924 1.00 0.33 C ATOM 0 H LEU A 36 16.266 -14.340 -13.462 1.00 64.24 H new ATOM 0 HA LEU A 36 13.988 -12.862 -14.395 1.00 3.12 H new ATOM 0 HB2 LEU A 36 14.638 -14.968 -12.409 1.00 41.41 H new ATOM 0 HB3 LEU A 36 13.299 -13.929 -11.964 1.00 41.41 H new ATOM 0 HG LEU A 36 13.411 -15.312 -14.647 1.00 52.30 H new ATOM 0 HD11 LEU A 36 11.996 -17.079 -13.676 1.00 54.42 H new ATOM 0 HD12 LEU A 36 13.608 -17.034 -12.922 1.00 54.42 H new ATOM 0 HD13 LEU A 36 12.205 -16.354 -12.064 1.00 54.42 H new ATOM 0 HD21 LEU A 36 10.967 -15.013 -14.546 1.00 0.33 H new ATOM 0 HD22 LEU A 36 11.135 -14.207 -12.969 1.00 0.33 H new ATOM 0 HD23 LEU A 36 11.827 -13.460 -14.429 1.00 0.33 H new ATOM 542 N LEU A 37 15.543 -11.919 -11.650 1.00 54.22 N ATOM 543 CA LEU A 37 15.682 -10.823 -10.697 1.00 34.53 C ATOM 544 C LEU A 37 16.158 -9.553 -11.393 1.00 12.40 C ATOM 545 O LEU A 37 15.777 -8.444 -11.015 1.00 70.51 O ATOM 546 CB LEU A 37 16.661 -11.208 -9.587 1.00 24.50 C ATOM 547 CG LEU A 37 17.080 -10.083 -8.641 1.00 0.42 C ATOM 548 CD1 LEU A 37 15.857 -9.419 -8.026 1.00 61.44 C ATOM 549 CD2 LEU A 37 18.003 -10.615 -7.554 1.00 40.52 C ATOM 0 H LEU A 37 16.237 -12.659 -11.546 1.00 54.22 H new ATOM 0 HA LEU A 37 14.703 -10.629 -10.259 1.00 34.53 H new ATOM 0 HB2 LEU A 37 16.212 -12.005 -8.995 1.00 24.50 H new ATOM 0 HB3 LEU A 37 17.558 -11.620 -10.048 1.00 24.50 H new ATOM 0 HG LEU A 37 17.624 -9.334 -9.217 1.00 0.42 H new ATOM 0 HD11 LEU A 37 16.175 -8.621 -7.355 1.00 61.44 H new ATOM 0 HD12 LEU A 37 15.233 -9.002 -8.817 1.00 61.44 H new ATOM 0 HD13 LEU A 37 15.285 -10.158 -7.465 1.00 61.44 H new ATOM 0 HD21 LEU A 37 18.291 -9.800 -6.890 1.00 40.52 H new ATOM 0 HD22 LEU A 37 17.485 -11.384 -6.981 1.00 40.52 H new ATOM 0 HD23 LEU A 37 18.895 -11.043 -8.011 1.00 40.52 H new ATOM 561 N LYS A 38 16.992 -9.720 -12.414 1.00 34.42 N ATOM 562 CA LYS A 38 17.518 -8.588 -13.167 1.00 30.15 C ATOM 563 C LYS A 38 16.387 -7.770 -13.780 1.00 54.44 C ATOM 564 O LYS A 38 16.435 -6.540 -13.794 1.00 21.21 O ATOM 565 CB LYS A 38 18.464 -9.076 -14.266 1.00 52.33 C ATOM 566 CG LYS A 38 19.170 -7.951 -15.004 1.00 71.30 C ATOM 567 CD LYS A 38 20.541 -8.383 -15.497 1.00 52.45 C ATOM 568 CE LYS A 38 21.515 -7.215 -15.529 1.00 55.34 C ATOM 569 NZ LYS A 38 22.662 -7.474 -16.442 1.00 24.32 N ATOM 0 H LYS A 38 17.318 -10.630 -12.739 1.00 34.42 H new ATOM 0 HA LYS A 38 18.071 -7.950 -12.478 1.00 30.15 H new ATOM 0 HB2 LYS A 38 19.212 -9.735 -13.824 1.00 52.33 H new ATOM 0 HB3 LYS A 38 17.898 -9.671 -14.983 1.00 52.33 H new ATOM 0 HG2 LYS A 38 18.562 -7.632 -15.850 1.00 71.30 H new ATOM 0 HG3 LYS A 38 19.274 -7.090 -14.343 1.00 71.30 H new ATOM 0 HD2 LYS A 38 20.932 -9.167 -14.848 1.00 52.45 H new ATOM 0 HD3 LYS A 38 20.452 -8.811 -16.495 1.00 52.45 H new ATOM 0 HE2 LYS A 38 20.992 -6.314 -15.850 1.00 55.34 H new ATOM 0 HE3 LYS A 38 21.888 -7.025 -14.522 1.00 55.34 H new ATOM 0 HZ1 LYS A 38 23.303 -6.655 -16.436 1.00 24.32 H new ATOM 0 HZ2 LYS A 38 23.177 -8.319 -16.121 1.00 24.32 H new ATOM 0 HZ3 LYS A 38 22.309 -7.630 -17.408 1.00 24.32 H new ATOM 583 N GLU A 39 15.369 -8.460 -14.286 1.00 23.31 N ATOM 584 CA GLU A 39 14.226 -7.796 -14.900 1.00 40.32 C ATOM 585 C GLU A 39 13.307 -7.200 -13.837 1.00 63.03 C ATOM 586 O GLU A 39 12.735 -6.126 -14.026 1.00 41.42 O ATOM 587 CB GLU A 39 13.444 -8.780 -15.773 1.00 11.14 C ATOM 588 CG GLU A 39 14.289 -9.449 -16.843 1.00 43.02 C ATOM 589 CD GLU A 39 13.743 -10.801 -17.257 1.00 71.45 C ATOM 590 OE1 GLU A 39 12.728 -11.236 -16.675 1.00 14.44 O ATOM 591 OE2 GLU A 39 14.331 -11.425 -18.165 1.00 62.54 O ATOM 0 H GLU A 39 15.313 -9.478 -14.282 1.00 23.31 H new ATOM 0 HA GLU A 39 14.602 -6.986 -15.526 1.00 40.32 H new ATOM 0 HB2 GLU A 39 13.005 -9.548 -15.136 1.00 11.14 H new ATOM 0 HB3 GLU A 39 12.619 -8.252 -16.251 1.00 11.14 H new ATOM 0 HG2 GLU A 39 14.342 -8.800 -17.717 1.00 43.02 H new ATOM 0 HG3 GLU A 39 15.307 -9.570 -16.473 1.00 43.02 H new ATOM 598 N LEU A 40 13.170 -7.905 -12.720 1.00 22.20 N ATOM 599 CA LEU A 40 12.321 -7.448 -11.626 1.00 13.32 C ATOM 600 C LEU A 40 12.944 -6.249 -10.917 1.00 31.40 C ATOM 601 O LEU A 40 12.242 -5.436 -10.316 1.00 42.40 O ATOM 602 CB LEU A 40 12.088 -8.582 -10.626 1.00 40.20 C ATOM 603 CG LEU A 40 10.804 -9.391 -10.815 1.00 42.53 C ATOM 604 CD1 LEU A 40 9.583 -8.501 -10.643 1.00 73.03 C ATOM 605 CD2 LEU A 40 10.791 -10.059 -12.182 1.00 44.34 C ATOM 0 H LEU A 40 13.636 -8.796 -12.548 1.00 22.20 H new ATOM 0 HA LEU A 40 11.363 -7.141 -12.047 1.00 13.32 H new ATOM 0 HB2 LEU A 40 12.935 -9.266 -10.679 1.00 40.20 H new ATOM 0 HB3 LEU A 40 12.082 -8.158 -9.622 1.00 40.20 H new ATOM 0 HG LEU A 40 10.772 -10.169 -10.052 1.00 42.53 H new ATOM 0 HD11 LEU A 40 8.679 -9.093 -10.781 1.00 73.03 H new ATOM 0 HD12 LEU A 40 9.585 -8.070 -9.642 1.00 73.03 H new ATOM 0 HD13 LEU A 40 9.609 -7.701 -11.383 1.00 73.03 H new ATOM 0 HD21 LEU A 40 9.870 -10.630 -12.299 1.00 44.34 H new ATOM 0 HD22 LEU A 40 10.847 -9.297 -12.960 1.00 44.34 H new ATOM 0 HD23 LEU A 40 11.647 -10.729 -12.268 1.00 44.34 H new ATOM 617 N LYS A 41 14.266 -6.146 -10.993 1.00 4.21 N ATOM 618 CA LYS A 41 14.986 -5.045 -10.362 1.00 74.51 C ATOM 619 C LYS A 41 14.536 -3.704 -10.932 1.00 12.11 C ATOM 620 O LYS A 41 14.123 -2.810 -10.192 1.00 75.13 O ATOM 621 CB LYS A 41 16.494 -5.215 -10.559 1.00 33.40 C ATOM 622 CG LYS A 41 17.156 -6.060 -9.484 1.00 40.03 C ATOM 623 CD LYS A 41 17.664 -5.204 -8.336 1.00 52.12 C ATOM 624 CE LYS A 41 18.217 -6.058 -7.206 1.00 64.32 C ATOM 625 NZ LYS A 41 18.235 -5.322 -5.912 1.00 21.32 N ATOM 0 H LYS A 41 14.862 -6.812 -11.485 1.00 4.21 H new ATOM 0 HA LYS A 41 14.761 -5.061 -9.295 1.00 74.51 H new ATOM 0 HB2 LYS A 41 16.676 -5.672 -11.532 1.00 33.40 H new ATOM 0 HB3 LYS A 41 16.963 -4.231 -10.576 1.00 33.40 H new ATOM 0 HG2 LYS A 41 16.443 -6.792 -9.105 1.00 40.03 H new ATOM 0 HG3 LYS A 41 17.986 -6.618 -9.918 1.00 40.03 H new ATOM 0 HD2 LYS A 41 18.441 -4.531 -8.699 1.00 52.12 H new ATOM 0 HD3 LYS A 41 16.853 -4.581 -7.959 1.00 52.12 H new ATOM 0 HE2 LYS A 41 17.613 -6.959 -7.103 1.00 64.32 H new ATOM 0 HE3 LYS A 41 19.228 -6.379 -7.455 1.00 64.32 H new ATOM 0 HZ1 LYS A 41 18.619 -5.938 -5.167 1.00 21.32 H new ATOM 0 HZ2 LYS A 41 18.832 -4.475 -6.002 1.00 21.32 H new ATOM 0 HZ3 LYS A 41 17.267 -5.037 -5.661 1.00 21.32 H new ATOM 639 N THR A 42 14.617 -3.569 -12.252 1.00 65.30 N ATOM 640 CA THR A 42 14.219 -2.337 -12.921 1.00 33.42 C ATOM 641 C THR A 42 12.707 -2.148 -12.869 1.00 30.10 C ATOM 642 O THR A 42 12.215 -1.021 -12.819 1.00 74.41 O ATOM 643 CB THR A 42 14.676 -2.323 -14.392 1.00 23.14 C ATOM 644 OG1 THR A 42 14.496 -1.016 -14.948 1.00 73.11 O ATOM 645 CG2 THR A 42 13.897 -3.341 -15.211 1.00 11.33 C ATOM 0 H THR A 42 14.955 -4.299 -12.879 1.00 65.30 H new ATOM 0 HA THR A 42 14.704 -1.518 -12.390 1.00 33.42 H new ATOM 0 HB THR A 42 15.733 -2.588 -14.424 1.00 23.14 H new ATOM 0 HG1 THR A 42 15.371 -0.601 -15.099 1.00 73.11 H new ATOM 0 HG21 THR A 42 14.237 -3.312 -16.246 1.00 11.33 H new ATOM 0 HG22 THR A 42 14.060 -4.338 -14.803 1.00 11.33 H new ATOM 0 HG23 THR A 42 12.834 -3.103 -15.172 1.00 11.33 H new ATOM 653 N MET A 43 11.976 -3.258 -12.880 1.00 53.33 N ATOM 654 CA MET A 43 10.519 -3.213 -12.833 1.00 12.15 C ATOM 655 C MET A 43 10.039 -2.421 -11.620 1.00 52.04 C ATOM 656 O MET A 43 9.169 -1.559 -11.736 1.00 33.04 O ATOM 657 CB MET A 43 9.945 -4.630 -12.790 1.00 73.33 C ATOM 658 CG MET A 43 9.515 -5.153 -14.152 1.00 13.45 C ATOM 659 SD MET A 43 9.752 -6.932 -14.319 1.00 64.05 S ATOM 660 CE MET A 43 9.811 -7.099 -16.102 1.00 3.02 C ATOM 0 H MET A 43 12.368 -4.199 -12.921 1.00 53.33 H new ATOM 0 HA MET A 43 10.166 -2.713 -13.735 1.00 12.15 H new ATOM 0 HB2 MET A 43 10.692 -5.303 -12.371 1.00 73.33 H new ATOM 0 HB3 MET A 43 9.088 -4.646 -12.117 1.00 73.33 H new ATOM 0 HG2 MET A 43 8.464 -4.914 -14.313 1.00 13.45 H new ATOM 0 HG3 MET A 43 10.082 -4.640 -14.929 1.00 13.45 H new ATOM 0 HE1 MET A 43 9.563 -8.123 -16.380 1.00 3.02 H new ATOM 0 HE2 MET A 43 9.093 -6.416 -16.555 1.00 3.02 H new ATOM 0 HE3 MET A 43 10.813 -6.859 -16.457 1.00 3.02 H new ATOM 670 N ASN A 44 10.612 -2.720 -10.459 1.00 52.10 N ATOM 671 CA ASN A 44 10.241 -2.036 -9.225 1.00 41.04 C ATOM 672 C ASN A 44 10.479 -0.534 -9.344 1.00 2.43 C ATOM 673 O ASN A 44 9.716 0.270 -8.809 1.00 22.04 O ATOM 674 CB ASN A 44 11.038 -2.599 -8.047 1.00 11.34 C ATOM 675 CG ASN A 44 10.979 -1.699 -6.827 1.00 32.30 C ATOM 676 OD1 ASN A 44 12.007 -1.236 -6.333 1.00 20.40 O ATOM 677 ND2 ASN A 44 9.771 -1.448 -6.335 1.00 61.12 N ATOM 0 H ASN A 44 11.335 -3.431 -10.346 1.00 52.10 H new ATOM 0 HA ASN A 44 9.178 -2.205 -9.050 1.00 41.04 H new ATOM 0 HB2 ASN A 44 10.651 -3.584 -7.787 1.00 11.34 H new ATOM 0 HB3 ASN A 44 12.077 -2.734 -8.346 1.00 11.34 H new ATOM 0 HD21 ASN A 44 9.668 -0.850 -5.515 1.00 61.12 H new ATOM 0 HD22 ASN A 44 8.946 -1.853 -6.777 1.00 61.12 H new ATOM 684 N ALA A 45 11.543 -0.162 -10.049 1.00 33.31 N ATOM 685 CA ALA A 45 11.880 1.243 -10.240 1.00 20.21 C ATOM 686 C ALA A 45 10.888 1.923 -11.177 1.00 61.15 C ATOM 687 O ALA A 45 10.674 3.132 -11.099 1.00 2.23 O ATOM 688 CB ALA A 45 13.296 1.377 -10.779 1.00 63.15 C ATOM 0 H ALA A 45 12.186 -0.815 -10.497 1.00 33.31 H new ATOM 0 HA ALA A 45 11.823 1.740 -9.272 1.00 20.21 H new ATOM 0 HB1 ALA A 45 13.535 2.432 -10.917 1.00 63.15 H new ATOM 0 HB2 ALA A 45 13.998 0.936 -10.071 1.00 63.15 H new ATOM 0 HB3 ALA A 45 13.372 0.860 -11.735 1.00 63.15 H new ATOM 694 N ALA A 46 10.286 1.138 -12.065 1.00 32.23 N ATOM 695 CA ALA A 46 9.316 1.665 -13.016 1.00 74.44 C ATOM 696 C ALA A 46 8.113 2.267 -12.298 1.00 32.51 C ATOM 697 O ALA A 46 7.704 3.392 -12.586 1.00 74.04 O ATOM 698 CB ALA A 46 8.868 0.570 -13.974 1.00 14.12 C ATOM 0 H ALA A 46 10.453 0.135 -12.145 1.00 32.23 H new ATOM 0 HA ALA A 46 9.799 2.458 -13.587 1.00 74.44 H new ATOM 0 HB1 ALA A 46 8.143 0.977 -14.679 1.00 14.12 H new ATOM 0 HB2 ALA A 46 9.731 0.189 -14.520 1.00 14.12 H new ATOM 0 HB3 ALA A 46 8.408 -0.241 -13.410 1.00 14.12 H new ATOM 704 N LEU A 47 7.550 1.511 -11.362 1.00 34.41 N ATOM 705 CA LEU A 47 6.392 1.970 -10.602 1.00 21.51 C ATOM 706 C LEU A 47 6.680 3.305 -9.925 1.00 2.55 C ATOM 707 O LEU A 47 5.766 4.084 -9.651 1.00 30.41 O ATOM 708 CB LEU A 47 6.000 0.927 -9.553 1.00 51.22 C ATOM 709 CG LEU A 47 6.811 0.941 -8.257 1.00 14.32 C ATOM 710 CD1 LEU A 47 6.084 1.734 -7.181 1.00 72.24 C ATOM 711 CD2 LEU A 47 7.083 -0.479 -7.783 1.00 4.31 C ATOM 0 H LEU A 47 7.876 0.578 -11.111 1.00 34.41 H new ATOM 0 HA LEU A 47 5.563 2.107 -11.297 1.00 21.51 H new ATOM 0 HB2 LEU A 47 4.949 1.071 -9.302 1.00 51.22 H new ATOM 0 HB3 LEU A 47 6.088 -0.062 -10.003 1.00 51.22 H new ATOM 0 HG LEU A 47 7.767 1.426 -8.454 1.00 14.32 H new ATOM 0 HD11 LEU A 47 6.676 1.733 -6.266 1.00 72.24 H new ATOM 0 HD12 LEU A 47 5.941 2.760 -7.520 1.00 72.24 H new ATOM 0 HD13 LEU A 47 5.114 1.278 -6.986 1.00 72.24 H new ATOM 0 HD21 LEU A 47 7.661 -0.450 -6.859 1.00 4.31 H new ATOM 0 HD22 LEU A 47 6.137 -0.990 -7.603 1.00 4.31 H new ATOM 0 HD23 LEU A 47 7.646 -1.016 -8.547 1.00 4.31 H new ATOM 723 N ILE A 48 7.956 3.565 -9.659 1.00 10.21 N ATOM 724 CA ILE A 48 8.364 4.808 -9.017 1.00 3.51 C ATOM 725 C ILE A 48 8.297 5.979 -9.992 1.00 61.33 C ATOM 726 O ILE A 48 7.772 7.044 -9.667 1.00 21.33 O ATOM 727 CB ILE A 48 9.793 4.707 -8.452 1.00 3.33 C ATOM 728 CG1 ILE A 48 9.886 3.560 -7.443 1.00 44.33 C ATOM 729 CG2 ILE A 48 10.202 6.023 -7.805 1.00 75.42 C ATOM 730 CD1 ILE A 48 11.306 3.127 -7.151 1.00 33.25 C ATOM 0 H ILE A 48 8.725 2.931 -9.878 1.00 10.21 H new ATOM 0 HA ILE A 48 7.668 4.982 -8.196 1.00 3.51 H new ATOM 0 HB ILE A 48 10.479 4.500 -9.274 1.00 3.33 H new ATOM 0 HG12 ILE A 48 9.409 3.866 -6.512 1.00 44.33 H new ATOM 0 HG13 ILE A 48 9.325 2.706 -7.823 1.00 44.33 H new ATOM 0 HG21 ILE A 48 11.214 5.935 -7.411 1.00 75.42 H new ATOM 0 HG22 ILE A 48 10.170 6.819 -8.549 1.00 75.42 H new ATOM 0 HG23 ILE A 48 9.515 6.258 -6.992 1.00 75.42 H new ATOM 0 HD11 ILE A 48 11.296 2.311 -6.428 1.00 33.25 H new ATOM 0 HD12 ILE A 48 11.780 2.790 -8.073 1.00 33.25 H new ATOM 0 HD13 ILE A 48 11.866 3.968 -6.741 1.00 33.25 H new ATOM 742 N LYS A 49 8.831 5.773 -11.192 1.00 13.43 N ATOM 743 CA LYS A 49 8.829 6.809 -12.218 1.00 5.32 C ATOM 744 C LYS A 49 7.429 7.009 -12.788 1.00 33.13 C ATOM 745 O LYS A 49 6.930 8.133 -12.853 1.00 35.33 O ATOM 746 CB LYS A 49 9.802 6.444 -13.342 1.00 34.12 C ATOM 747 CG LYS A 49 11.245 6.808 -13.040 1.00 20.22 C ATOM 748 CD LYS A 49 11.862 5.851 -12.033 1.00 43.51 C ATOM 749 CE LYS A 49 13.356 6.094 -11.877 1.00 13.20 C ATOM 750 NZ LYS A 49 14.011 5.023 -11.076 1.00 50.14 N ATOM 0 H LYS A 49 9.271 4.898 -11.477 1.00 13.43 H new ATOM 0 HA LYS A 49 9.150 7.743 -11.756 1.00 5.32 H new ATOM 0 HB2 LYS A 49 9.739 5.373 -13.532 1.00 34.12 H new ATOM 0 HB3 LYS A 49 9.493 6.949 -14.257 1.00 34.12 H new ATOM 0 HG2 LYS A 49 11.826 6.792 -13.962 1.00 20.22 H new ATOM 0 HG3 LYS A 49 11.291 7.826 -12.652 1.00 20.22 H new ATOM 0 HD2 LYS A 49 11.370 5.970 -11.068 1.00 43.51 H new ATOM 0 HD3 LYS A 49 11.691 4.823 -12.354 1.00 43.51 H new ATOM 0 HE2 LYS A 49 13.820 6.146 -12.862 1.00 13.20 H new ATOM 0 HE3 LYS A 49 13.519 7.058 -11.396 1.00 13.20 H new ATOM 0 HZ1 LYS A 49 14.828 5.419 -10.569 1.00 50.14 H new ATOM 0 HZ2 LYS A 49 13.331 4.637 -10.390 1.00 50.14 H new ATOM 0 HZ3 LYS A 49 14.332 4.263 -11.709 1.00 50.14 H new ATOM 764 N ILE A 50 6.800 5.913 -13.198 1.00 30.54 N ATOM 765 CA ILE A 50 5.456 5.968 -13.759 1.00 40.01 C ATOM 766 C ILE A 50 4.427 6.316 -12.689 1.00 0.40 C ATOM 767 O ILE A 50 3.357 6.844 -12.990 1.00 4.42 O ATOM 768 CB ILE A 50 5.065 4.631 -14.416 1.00 14.12 C ATOM 769 CG1 ILE A 50 4.912 3.541 -13.353 1.00 4.01 C ATOM 770 CG2 ILE A 50 6.102 4.226 -15.453 1.00 10.55 C ATOM 771 CD1 ILE A 50 3.473 3.235 -13.003 1.00 71.34 C ATOM 0 H ILE A 50 7.200 4.976 -13.152 1.00 30.54 H new ATOM 0 HA ILE A 50 5.464 6.749 -14.520 1.00 40.01 H new ATOM 0 HB ILE A 50 4.107 4.758 -14.920 1.00 14.12 H new ATOM 0 HG12 ILE A 50 5.393 2.629 -13.708 1.00 4.01 H new ATOM 0 HG13 ILE A 50 5.439 3.849 -12.450 1.00 4.01 H new ATOM 0 HG21 ILE A 50 5.811 3.279 -15.908 1.00 10.55 H new ATOM 0 HG22 ILE A 50 6.166 4.994 -16.223 1.00 10.55 H new ATOM 0 HG23 ILE A 50 7.073 4.114 -14.972 1.00 10.55 H new ATOM 0 HD11 ILE A 50 3.441 2.454 -12.244 1.00 71.34 H new ATOM 0 HD12 ILE A 50 2.993 4.135 -12.618 1.00 71.34 H new ATOM 0 HD13 ILE A 50 2.946 2.896 -13.895 1.00 71.34 H new ATOM 783 N GLY A 51 4.759 6.018 -11.436 1.00 44.15 N ATOM 784 CA GLY A 51 3.854 6.308 -10.340 1.00 5.33 C ATOM 785 C GLY A 51 3.976 7.738 -9.851 1.00 14.11 C ATOM 786 O GLY A 51 3.075 8.252 -9.188 1.00 25.34 O ATOM 0 H GLY A 51 5.639 5.581 -11.161 1.00 44.15 H new ATOM 0 HA2 GLY A 51 2.829 6.123 -10.661 1.00 5.33 H new ATOM 0 HA3 GLY A 51 4.058 5.626 -9.514 1.00 5.33 H new ATOM 790 N GLU A 52 5.092 8.381 -10.178 1.00 42.20 N ATOM 791 CA GLU A 52 5.328 9.760 -9.765 1.00 31.40 C ATOM 792 C GLU A 52 4.546 10.732 -10.644 1.00 3.14 C ATOM 793 O GLU A 52 4.089 11.777 -10.179 1.00 24.52 O ATOM 794 CB GLU A 52 6.821 10.086 -9.828 1.00 25.13 C ATOM 795 CG GLU A 52 7.564 9.790 -8.536 1.00 20.24 C ATOM 796 CD GLU A 52 7.269 10.804 -7.447 1.00 74.25 C ATOM 797 OE1 GLU A 52 7.595 11.994 -7.642 1.00 33.31 O ATOM 798 OE2 GLU A 52 6.712 10.408 -6.402 1.00 41.11 O ATOM 0 H GLU A 52 5.847 7.970 -10.727 1.00 42.20 H new ATOM 0 HA GLU A 52 4.983 9.869 -8.737 1.00 31.40 H new ATOM 0 HB2 GLU A 52 7.275 9.515 -10.637 1.00 25.13 H new ATOM 0 HB3 GLU A 52 6.944 11.141 -10.074 1.00 25.13 H new ATOM 0 HG2 GLU A 52 7.291 8.795 -8.184 1.00 20.24 H new ATOM 0 HG3 GLU A 52 8.636 9.776 -8.733 1.00 20.24 H new ATOM 805 N VAL A 53 4.397 10.381 -11.917 1.00 1.20 N ATOM 806 CA VAL A 53 3.671 11.221 -12.862 1.00 11.54 C ATOM 807 C VAL A 53 2.186 11.274 -12.521 1.00 52.21 C ATOM 808 O VAL A 53 1.625 10.349 -11.933 1.00 1.42 O ATOM 809 CB VAL A 53 3.837 10.715 -14.307 1.00 24.04 C ATOM 810 CG1 VAL A 53 5.311 10.622 -14.674 1.00 14.33 C ATOM 811 CG2 VAL A 53 3.150 9.369 -14.481 1.00 42.14 C ATOM 0 H VAL A 53 4.770 9.520 -12.318 1.00 1.20 H new ATOM 0 HA VAL A 53 4.095 12.222 -12.785 1.00 11.54 H new ATOM 0 HB VAL A 53 3.364 11.429 -14.981 1.00 24.04 H new ATOM 0 HG11 VAL A 53 5.409 10.263 -15.698 1.00 14.33 H new ATOM 0 HG12 VAL A 53 5.770 11.607 -14.589 1.00 14.33 H new ATOM 0 HG13 VAL A 53 5.811 9.929 -13.997 1.00 14.33 H new ATOM 0 HG21 VAL A 53 3.277 9.026 -15.508 1.00 42.14 H new ATOM 0 HG22 VAL A 53 3.593 8.644 -13.799 1.00 42.14 H new ATOM 0 HG23 VAL A 53 2.087 9.472 -14.262 1.00 42.14 H new ATOM 821 N PRO A 54 1.531 12.382 -12.899 1.00 50.04 N ATOM 822 CA PRO A 54 0.101 12.582 -12.646 1.00 1.04 C ATOM 823 C PRO A 54 -0.772 11.660 -13.489 1.00 60.44 C ATOM 824 O PRO A 54 -0.308 11.015 -14.430 1.00 22.42 O ATOM 825 CB PRO A 54 -0.128 14.043 -13.040 1.00 10.34 C ATOM 826 CG PRO A 54 0.947 14.343 -14.027 1.00 20.45 C ATOM 827 CD PRO A 54 2.136 13.524 -13.605 1.00 10.44 C ATOM 0 HA PRO A 54 -0.165 12.358 -11.613 1.00 1.04 H new ATOM 0 HB2 PRO A 54 -1.117 14.185 -13.476 1.00 10.34 H new ATOM 0 HB3 PRO A 54 -0.065 14.701 -12.173 1.00 10.34 H new ATOM 0 HG2 PRO A 54 0.633 14.083 -15.038 1.00 20.45 H new ATOM 0 HG3 PRO A 54 1.187 15.406 -14.032 1.00 20.45 H new ATOM 0 HD2 PRO A 54 2.725 13.200 -14.463 1.00 10.44 H new ATOM 0 HD3 PRO A 54 2.804 14.090 -12.955 1.00 10.44 H new ATOM 835 N PRO A 55 -2.067 11.594 -13.148 1.00 75.00 N ATOM 836 CA PRO A 55 -3.033 10.754 -13.863 1.00 21.21 C ATOM 837 C PRO A 55 -3.328 11.275 -15.265 1.00 62.44 C ATOM 838 O PRO A 55 -3.992 10.607 -16.059 1.00 11.44 O ATOM 839 CB PRO A 55 -4.287 10.832 -12.989 1.00 0.23 C ATOM 840 CG PRO A 55 -4.162 12.127 -12.262 1.00 61.30 C ATOM 841 CD PRO A 55 -2.690 12.335 -12.038 1.00 44.42 C ATOM 0 HA PRO A 55 -2.661 9.740 -14.009 1.00 21.21 H new ATOM 0 HB2 PRO A 55 -5.193 10.803 -13.594 1.00 0.23 H new ATOM 0 HB3 PRO A 55 -4.339 9.992 -12.296 1.00 0.23 H new ATOM 0 HG2 PRO A 55 -4.588 12.944 -12.844 1.00 61.30 H new ATOM 0 HG3 PRO A 55 -4.701 12.096 -11.315 1.00 61.30 H new ATOM 0 HD2 PRO A 55 -2.425 13.392 -12.062 1.00 44.42 H new ATOM 0 HD3 PRO A 55 -2.373 11.949 -11.069 1.00 44.42 H new ATOM 849 N ASP A 56 -2.830 12.469 -15.565 1.00 3.23 N ATOM 850 CA ASP A 56 -3.039 13.079 -16.873 1.00 24.12 C ATOM 851 C ASP A 56 -2.233 12.353 -17.946 1.00 34.53 C ATOM 852 O ASP A 56 -2.595 12.366 -19.122 1.00 14.42 O ATOM 853 CB ASP A 56 -2.649 14.557 -16.838 1.00 44.43 C ATOM 854 CG ASP A 56 -3.619 15.430 -17.609 1.00 52.33 C ATOM 855 OD1 ASP A 56 -3.556 15.430 -18.857 1.00 32.33 O ATOM 856 OD2 ASP A 56 -4.442 16.113 -16.965 1.00 53.53 O ATOM 0 H ASP A 56 -2.278 13.034 -14.920 1.00 3.23 H new ATOM 0 HA ASP A 56 -4.097 12.996 -17.120 1.00 24.12 H new ATOM 0 HB2 ASP A 56 -2.606 14.894 -15.802 1.00 44.43 H new ATOM 0 HB3 ASP A 56 -1.648 14.676 -17.254 1.00 44.43 H new ATOM 861 N GLN A 57 -1.140 11.720 -17.531 1.00 51.44 N ATOM 862 CA GLN A 57 -0.283 10.990 -18.458 1.00 50.40 C ATOM 863 C GLN A 57 -0.648 9.510 -18.485 1.00 64.33 C ATOM 864 O GLN A 57 -0.427 8.823 -19.484 1.00 51.52 O ATOM 865 CB GLN A 57 1.186 11.159 -18.067 1.00 63.23 C ATOM 866 CG GLN A 57 1.590 12.605 -17.828 1.00 63.32 C ATOM 867 CD GLN A 57 1.614 13.423 -19.104 1.00 63.44 C ATOM 868 OE1 GLN A 57 1.100 12.996 -20.139 1.00 24.33 O ATOM 869 NE2 GLN A 57 2.213 14.606 -19.038 1.00 51.02 N ATOM 0 H GLN A 57 -0.827 11.698 -16.560 1.00 51.44 H new ATOM 0 HA GLN A 57 -0.435 11.401 -19.456 1.00 50.40 H new ATOM 0 HB2 GLN A 57 1.381 10.582 -17.163 1.00 63.23 H new ATOM 0 HB3 GLN A 57 1.813 10.741 -18.854 1.00 63.23 H new ATOM 0 HG2 GLN A 57 0.895 13.060 -17.122 1.00 63.32 H new ATOM 0 HG3 GLN A 57 2.577 12.631 -17.366 1.00 63.32 H new ATOM 0 HE21 GLN A 57 2.626 14.920 -18.160 1.00 51.02 H new ATOM 0 HE22 GLN A 57 2.261 15.200 -19.866 1.00 51.02 H new ATOM 878 N LEU A 58 -1.206 9.023 -17.383 1.00 32.22 N ATOM 879 CA LEU A 58 -1.602 7.622 -17.280 1.00 4.33 C ATOM 880 C LEU A 58 -2.607 7.259 -18.368 1.00 22.12 C ATOM 881 O LEU A 58 -3.545 8.009 -18.635 1.00 55.24 O ATOM 882 CB LEU A 58 -2.201 7.341 -15.901 1.00 14.41 C ATOM 883 CG LEU A 58 -1.201 7.115 -14.767 1.00 43.11 C ATOM 884 CD1 LEU A 58 -1.927 6.906 -13.448 1.00 34.14 C ATOM 885 CD2 LEU A 58 -0.303 5.927 -15.078 1.00 24.43 C ATOM 0 H LEU A 58 -1.395 9.577 -16.548 1.00 32.22 H new ATOM 0 HA LEU A 58 -0.712 7.007 -17.414 1.00 4.33 H new ATOM 0 HB2 LEU A 58 -2.844 8.178 -15.629 1.00 14.41 H new ATOM 0 HB3 LEU A 58 -2.839 6.460 -15.977 1.00 14.41 H new ATOM 0 HG LEU A 58 -0.576 8.004 -14.676 1.00 43.11 H new ATOM 0 HD11 LEU A 58 -1.199 6.747 -12.653 1.00 34.14 H new ATOM 0 HD12 LEU A 58 -2.527 7.787 -13.219 1.00 34.14 H new ATOM 0 HD13 LEU A 58 -2.577 6.034 -13.525 1.00 34.14 H new ATOM 0 HD21 LEU A 58 0.403 5.780 -14.260 1.00 24.43 H new ATOM 0 HD22 LEU A 58 -0.913 5.031 -15.196 1.00 24.43 H new ATOM 0 HD23 LEU A 58 0.245 6.117 -16.001 1.00 24.43 H new ATOM 897 N ASP A 59 -2.405 6.103 -18.990 1.00 63.13 N ATOM 898 CA ASP A 59 -3.295 5.638 -20.047 1.00 73.33 C ATOM 899 C ASP A 59 -3.949 4.314 -19.664 1.00 23.43 C ATOM 900 O ASP A 59 -3.698 3.776 -18.585 1.00 61.34 O ATOM 901 CB ASP A 59 -2.525 5.480 -21.359 1.00 74.43 C ATOM 902 CG ASP A 59 -1.996 6.800 -21.883 1.00 3.25 C ATOM 903 OD1 ASP A 59 -2.523 7.856 -21.472 1.00 65.31 O ATOM 904 OD2 ASP A 59 -1.054 6.778 -22.702 1.00 3.32 O ATOM 0 H ASP A 59 -1.633 5.471 -18.780 1.00 63.13 H new ATOM 0 HA ASP A 59 -4.078 6.384 -20.182 1.00 73.33 H new ATOM 0 HB2 ASP A 59 -1.693 4.793 -21.208 1.00 74.43 H new ATOM 0 HB3 ASP A 59 -3.177 5.031 -22.108 1.00 74.43 H new ATOM 909 N SER A 60 -4.789 3.794 -20.554 1.00 4.44 N ATOM 910 CA SER A 60 -5.482 2.536 -20.306 1.00 71.33 C ATOM 911 C SER A 60 -4.508 1.362 -20.345 1.00 11.00 C ATOM 912 O SER A 60 -4.590 0.447 -19.526 1.00 10.32 O ATOM 913 CB SER A 60 -6.590 2.328 -21.340 1.00 72.14 C ATOM 914 OG SER A 60 -7.467 1.287 -20.946 1.00 14.22 O ATOM 0 H SER A 60 -5.006 4.225 -21.453 1.00 4.44 H new ATOM 0 HA SER A 60 -5.926 2.584 -19.312 1.00 71.33 H new ATOM 0 HB2 SER A 60 -7.152 3.253 -21.466 1.00 72.14 H new ATOM 0 HB3 SER A 60 -6.149 2.089 -22.308 1.00 72.14 H new ATOM 0 HG SER A 60 -8.167 1.175 -21.623 1.00 14.22 H new ATOM 920 N GLN A 61 -3.587 1.397 -21.303 1.00 34.31 N ATOM 921 CA GLN A 61 -2.598 0.336 -21.449 1.00 61.24 C ATOM 922 C GLN A 61 -1.788 0.166 -20.168 1.00 72.22 C ATOM 923 O GLN A 61 -1.420 -0.949 -19.798 1.00 72.22 O ATOM 924 CB GLN A 61 -1.663 0.640 -22.621 1.00 62.01 C ATOM 925 CG GLN A 61 -2.187 0.150 -23.961 1.00 72.21 C ATOM 926 CD GLN A 61 -3.394 0.934 -24.438 1.00 32.35 C ATOM 927 OE1 GLN A 61 -4.471 0.373 -24.644 1.00 10.14 O ATOM 928 NE2 GLN A 61 -3.221 2.238 -24.615 1.00 42.12 N ATOM 0 H GLN A 61 -3.505 2.148 -21.989 1.00 34.31 H new ATOM 0 HA GLN A 61 -3.128 -0.595 -21.648 1.00 61.24 H new ATOM 0 HB2 GLN A 61 -1.501 1.716 -22.676 1.00 62.01 H new ATOM 0 HB3 GLN A 61 -0.693 0.181 -22.430 1.00 62.01 H new ATOM 0 HG2 GLN A 61 -1.394 0.223 -24.705 1.00 72.21 H new ATOM 0 HG3 GLN A 61 -2.452 -0.904 -23.880 1.00 72.21 H new ATOM 0 HE21 GLN A 61 -2.311 2.661 -24.432 1.00 42.12 H new ATOM 0 HE22 GLN A 61 -3.998 2.817 -24.934 1.00 42.12 H new ATOM 937 N ASP A 62 -1.514 1.278 -19.496 1.00 11.23 N ATOM 938 CA ASP A 62 -0.748 1.252 -18.255 1.00 13.41 C ATOM 939 C ASP A 62 -1.375 0.291 -17.249 1.00 41.35 C ATOM 940 O ASP A 62 -0.675 -0.472 -16.584 1.00 65.22 O ATOM 941 CB ASP A 62 -0.664 2.656 -17.653 1.00 52.13 C ATOM 942 CG ASP A 62 0.341 3.535 -18.372 1.00 33.30 C ATOM 943 OD1 ASP A 62 0.505 3.367 -19.598 1.00 55.14 O ATOM 944 OD2 ASP A 62 0.964 4.389 -17.708 1.00 0.51 O ATOM 0 H ASP A 62 -1.811 2.209 -19.789 1.00 11.23 H new ATOM 0 HA ASP A 62 0.258 0.903 -18.486 1.00 13.41 H new ATOM 0 HB2 ASP A 62 -1.647 3.125 -17.694 1.00 52.13 H new ATOM 0 HB3 ASP A 62 -0.390 2.581 -16.601 1.00 52.13 H new ATOM 949 N LYS A 63 -2.699 0.335 -17.143 1.00 24.22 N ATOM 950 CA LYS A 63 -3.421 -0.532 -16.219 1.00 51.51 C ATOM 951 C LYS A 63 -3.117 -2.000 -16.500 1.00 15.33 C ATOM 952 O LYS A 63 -2.913 -2.789 -15.577 1.00 32.53 O ATOM 953 CB LYS A 63 -4.927 -0.282 -16.326 1.00 12.24 C ATOM 954 CG LYS A 63 -5.308 1.186 -16.240 1.00 41.11 C ATOM 955 CD LYS A 63 -4.770 1.829 -14.973 1.00 23.12 C ATOM 956 CE LYS A 63 -3.496 2.614 -15.244 1.00 1.51 C ATOM 957 NZ LYS A 63 -3.302 3.714 -14.259 1.00 11.15 N ATOM 0 H LYS A 63 -3.294 0.962 -17.685 1.00 24.22 H new ATOM 0 HA LYS A 63 -3.091 -0.299 -15.207 1.00 51.51 H new ATOM 0 HB2 LYS A 63 -5.288 -0.687 -17.271 1.00 12.24 H new ATOM 0 HB3 LYS A 63 -5.435 -0.828 -15.531 1.00 12.24 H new ATOM 0 HG2 LYS A 63 -4.920 1.715 -17.110 1.00 41.11 H new ATOM 0 HG3 LYS A 63 -6.393 1.283 -16.266 1.00 41.11 H new ATOM 0 HD2 LYS A 63 -5.525 2.493 -14.552 1.00 23.12 H new ATOM 0 HD3 LYS A 63 -4.572 1.058 -14.228 1.00 23.12 H new ATOM 0 HE2 LYS A 63 -2.640 1.940 -15.209 1.00 1.51 H new ATOM 0 HE3 LYS A 63 -3.533 3.030 -16.251 1.00 1.51 H new ATOM 0 HZ1 LYS A 63 -2.289 3.818 -14.050 1.00 11.15 H new ATOM 0 HZ2 LYS A 63 -3.667 4.604 -14.656 1.00 11.15 H new ATOM 0 HZ3 LYS A 63 -3.815 3.490 -13.383 1.00 11.15 H new ATOM 971 N LEU A 64 -3.088 -2.359 -17.778 1.00 61.03 N ATOM 972 CA LEU A 64 -2.807 -3.733 -18.181 1.00 12.14 C ATOM 973 C LEU A 64 -1.339 -4.077 -17.955 1.00 25.23 C ATOM 974 O LEU A 64 -0.998 -5.223 -17.662 1.00 64.32 O ATOM 975 CB LEU A 64 -3.170 -3.938 -19.652 1.00 75.53 C ATOM 976 CG LEU A 64 -4.620 -4.333 -19.937 1.00 12.40 C ATOM 977 CD1 LEU A 64 -5.496 -3.095 -20.060 1.00 25.01 C ATOM 978 CD2 LEU A 64 -4.705 -5.176 -21.201 1.00 13.12 C ATOM 0 H LEU A 64 -3.256 -1.718 -18.554 1.00 61.03 H new ATOM 0 HA LEU A 64 -3.415 -4.397 -17.567 1.00 12.14 H new ATOM 0 HB2 LEU A 64 -2.953 -3.016 -20.191 1.00 75.53 H new ATOM 0 HB3 LEU A 64 -2.517 -4.708 -20.063 1.00 75.53 H new ATOM 0 HG LEU A 64 -4.985 -4.930 -19.101 1.00 12.40 H new ATOM 0 HD11 LEU A 64 -6.524 -3.395 -20.263 1.00 25.01 H new ATOM 0 HD12 LEU A 64 -5.460 -2.530 -19.129 1.00 25.01 H new ATOM 0 HD13 LEU A 64 -5.132 -2.472 -20.877 1.00 25.01 H new ATOM 0 HD21 LEU A 64 -5.744 -5.448 -21.388 1.00 13.12 H new ATOM 0 HD22 LEU A 64 -4.322 -4.604 -22.046 1.00 13.12 H new ATOM 0 HD23 LEU A 64 -4.110 -6.081 -21.076 1.00 13.12 H new ATOM 990 N TRP A 65 -0.475 -3.078 -18.090 1.00 44.23 N ATOM 991 CA TRP A 65 0.958 -3.275 -17.899 1.00 12.23 C ATOM 992 C TRP A 65 1.269 -3.637 -16.451 1.00 14.34 C ATOM 993 O TRP A 65 2.026 -4.569 -16.183 1.00 73.32 O ATOM 994 CB TRP A 65 1.725 -2.013 -18.298 1.00 32.11 C ATOM 995 CG TRP A 65 3.185 -2.075 -17.965 1.00 71.33 C ATOM 996 CD1 TRP A 65 4.047 -3.097 -18.246 1.00 34.13 C ATOM 997 CD2 TRP A 65 3.953 -1.075 -17.288 1.00 11.31 C ATOM 998 NE1 TRP A 65 5.304 -2.792 -17.783 1.00 40.14 N ATOM 999 CE2 TRP A 65 5.273 -1.556 -17.193 1.00 22.43 C ATOM 1000 CE3 TRP A 65 3.654 0.182 -16.754 1.00 65.15 C ATOM 1001 CZ2 TRP A 65 6.290 -0.825 -16.585 1.00 21.02 C ATOM 1002 CZ3 TRP A 65 4.665 0.906 -16.151 1.00 53.52 C ATOM 1003 CH2 TRP A 65 5.970 0.402 -16.071 1.00 14.10 C ATOM 0 H TRP A 65 -0.741 -2.123 -18.331 1.00 44.23 H new ATOM 0 HA TRP A 65 1.274 -4.101 -18.537 1.00 12.23 H new ATOM 0 HB2 TRP A 65 1.611 -1.851 -19.370 1.00 32.11 H new ATOM 0 HB3 TRP A 65 1.281 -1.153 -17.796 1.00 32.11 H new ATOM 0 HD1 TRP A 65 3.780 -4.010 -18.757 1.00 34.13 H new ATOM 0 HE1 TRP A 65 6.127 -3.389 -17.865 1.00 40.14 H new ATOM 0 HE3 TRP A 65 2.652 0.580 -16.812 1.00 65.15 H new ATOM 0 HZ2 TRP A 65 7.296 -1.213 -16.521 1.00 21.02 H new ATOM 0 HZ3 TRP A 65 4.445 1.878 -15.734 1.00 53.52 H new ATOM 0 HH2 TRP A 65 6.738 0.993 -15.595 1.00 14.10 H new ATOM 1014 N ALA A 66 0.679 -2.893 -15.520 1.00 24.32 N ATOM 1015 CA ALA A 66 0.892 -3.138 -14.099 1.00 22.23 C ATOM 1016 C ALA A 66 0.509 -4.566 -13.724 1.00 53.22 C ATOM 1017 O ALA A 66 1.112 -5.168 -12.836 1.00 11.02 O ATOM 1018 CB ALA A 66 0.099 -2.141 -13.267 1.00 23.22 C ATOM 0 H ALA A 66 0.050 -2.116 -15.725 1.00 24.32 H new ATOM 0 HA ALA A 66 1.953 -3.008 -13.888 1.00 22.23 H new ATOM 0 HB1 ALA A 66 0.267 -2.336 -12.208 1.00 23.22 H new ATOM 0 HB2 ALA A 66 0.424 -1.128 -13.506 1.00 23.22 H new ATOM 0 HB3 ALA A 66 -0.963 -2.244 -13.490 1.00 23.22 H new ATOM 1024 N ASP A 67 -0.498 -5.101 -14.406 1.00 65.34 N ATOM 1025 CA ASP A 67 -0.961 -6.459 -14.145 1.00 74.03 C ATOM 1026 C ASP A 67 0.011 -7.485 -14.718 1.00 25.12 C ATOM 1027 O ASP A 67 0.212 -8.553 -14.140 1.00 60.14 O ATOM 1028 CB ASP A 67 -2.354 -6.669 -14.743 1.00 5.10 C ATOM 1029 CG ASP A 67 -2.881 -8.070 -14.503 1.00 14.30 C ATOM 1030 OD1 ASP A 67 -2.435 -9.000 -15.206 1.00 51.01 O ATOM 1031 OD2 ASP A 67 -3.742 -8.236 -13.613 1.00 4.44 O ATOM 0 H ASP A 67 -1.009 -4.615 -15.143 1.00 65.34 H new ATOM 0 HA ASP A 67 -1.012 -6.597 -13.065 1.00 74.03 H new ATOM 0 HB2 ASP A 67 -3.045 -5.945 -14.311 1.00 5.10 H new ATOM 0 HB3 ASP A 67 -2.319 -6.476 -15.815 1.00 5.10 H new ATOM 1036 N GLU A 68 0.612 -7.153 -15.857 1.00 33.25 N ATOM 1037 CA GLU A 68 1.562 -8.048 -16.507 1.00 51.53 C ATOM 1038 C GLU A 68 2.805 -8.243 -15.643 1.00 54.15 C ATOM 1039 O GLU A 68 3.433 -9.301 -15.670 1.00 34.42 O ATOM 1040 CB GLU A 68 1.961 -7.494 -17.877 1.00 23.21 C ATOM 1041 CG GLU A 68 0.849 -7.565 -18.910 1.00 23.51 C ATOM 1042 CD GLU A 68 1.176 -6.793 -20.173 1.00 41.30 C ATOM 1043 OE1 GLU A 68 2.307 -6.275 -20.276 1.00 45.44 O ATOM 1044 OE2 GLU A 68 0.300 -6.707 -21.059 1.00 14.34 O ATOM 0 H GLU A 68 0.458 -6.272 -16.348 1.00 33.25 H new ATOM 0 HA GLU A 68 1.079 -9.016 -16.640 1.00 51.53 H new ATOM 0 HB2 GLU A 68 2.273 -6.456 -17.763 1.00 23.21 H new ATOM 0 HB3 GLU A 68 2.824 -8.048 -18.246 1.00 23.21 H new ATOM 0 HG2 GLU A 68 0.661 -8.608 -19.165 1.00 23.51 H new ATOM 0 HG3 GLU A 68 -0.070 -7.172 -18.476 1.00 23.51 H new ATOM 1051 N VAL A 69 3.154 -7.214 -14.878 1.00 42.55 N ATOM 1052 CA VAL A 69 4.321 -7.271 -14.006 1.00 11.10 C ATOM 1053 C VAL A 69 4.044 -8.125 -12.774 1.00 24.20 C ATOM 1054 O VAL A 69 4.931 -8.819 -12.275 1.00 51.23 O ATOM 1055 CB VAL A 69 4.754 -5.863 -13.555 1.00 31.45 C ATOM 1056 CG1 VAL A 69 6.029 -5.936 -12.728 1.00 34.23 C ATOM 1057 CG2 VAL A 69 4.941 -4.952 -14.758 1.00 73.22 C ATOM 0 H VAL A 69 2.645 -6.331 -14.844 1.00 42.55 H new ATOM 0 HA VAL A 69 5.127 -7.723 -14.584 1.00 11.10 H new ATOM 0 HB VAL A 69 3.967 -5.443 -12.929 1.00 31.45 H new ATOM 0 HG11 VAL A 69 6.320 -4.932 -12.418 1.00 34.23 H new ATOM 0 HG12 VAL A 69 5.856 -6.552 -11.846 1.00 34.23 H new ATOM 0 HG13 VAL A 69 6.826 -6.376 -13.327 1.00 34.23 H new ATOM 0 HG21 VAL A 69 5.247 -3.962 -14.420 1.00 73.22 H new ATOM 0 HG22 VAL A 69 5.709 -5.366 -15.412 1.00 73.22 H new ATOM 0 HG23 VAL A 69 4.002 -4.875 -15.305 1.00 73.22 H new ATOM 1067 N ARG A 70 2.809 -8.070 -12.288 1.00 33.50 N ATOM 1068 CA ARG A 70 2.415 -8.839 -11.113 1.00 51.03 C ATOM 1069 C ARG A 70 2.317 -10.325 -11.444 1.00 20.42 C ATOM 1070 O ARG A 70 2.870 -11.166 -10.735 1.00 14.21 O ATOM 1071 CB ARG A 70 1.074 -8.336 -10.574 1.00 65.13 C ATOM 1072 CG ARG A 70 1.206 -7.181 -9.596 1.00 4.43 C ATOM 1073 CD ARG A 70 1.379 -7.676 -8.168 1.00 60.34 C ATOM 1074 NE ARG A 70 0.096 -7.940 -7.522 1.00 4.03 N ATOM 1075 CZ ARG A 70 -0.043 -8.724 -6.459 1.00 32.14 C ATOM 1076 NH1 ARG A 70 1.015 -9.318 -5.925 1.00 45.12 N ATOM 1077 NH2 ARG A 70 -1.244 -8.915 -5.927 1.00 23.14 N ATOM 0 H ARG A 70 2.063 -7.501 -12.689 1.00 33.50 H new ATOM 0 HA ARG A 70 3.180 -8.704 -10.348 1.00 51.03 H new ATOM 0 HB2 ARG A 70 0.450 -8.023 -11.411 1.00 65.13 H new ATOM 0 HB3 ARG A 70 0.557 -9.160 -10.082 1.00 65.13 H new ATOM 0 HG2 ARG A 70 2.060 -6.563 -9.874 1.00 4.43 H new ATOM 0 HG3 ARG A 70 0.321 -6.548 -9.658 1.00 4.43 H new ATOM 0 HD2 ARG A 70 1.978 -8.586 -8.170 1.00 60.34 H new ATOM 0 HD3 ARG A 70 1.930 -6.933 -7.591 1.00 60.34 H new ATOM 0 HE ARG A 70 -0.738 -7.498 -7.908 1.00 4.03 H new ATOM 0 HH11 ARG A 70 1.940 -9.174 -6.330 1.00 45.12 H new ATOM 0 HH12 ARG A 70 0.904 -9.919 -5.109 1.00 45.12 H new ATOM 0 HH21 ARG A 70 -2.061 -8.460 -6.335 1.00 23.14 H new ATOM 0 HH22 ARG A 70 -1.350 -9.517 -5.111 1.00 23.14 H new ATOM 1091 N GLU A 71 1.610 -10.641 -12.524 1.00 52.13 N ATOM 1092 CA GLU A 71 1.439 -12.026 -12.947 1.00 51.00 C ATOM 1093 C GLU A 71 2.789 -12.725 -13.079 1.00 51.04 C ATOM 1094 O GLU A 71 2.913 -13.919 -12.803 1.00 15.12 O ATOM 1095 CB GLU A 71 0.688 -12.087 -14.279 1.00 32.13 C ATOM 1096 CG GLU A 71 1.375 -11.327 -15.401 1.00 21.04 C ATOM 1097 CD GLU A 71 0.654 -11.466 -16.727 1.00 74.30 C ATOM 1098 OE1 GLU A 71 -0.369 -10.776 -16.921 1.00 33.45 O ATOM 1099 OE2 GLU A 71 1.111 -12.265 -17.571 1.00 42.30 O ATOM 0 H GLU A 71 1.146 -9.957 -13.122 1.00 52.13 H new ATOM 0 HA GLU A 71 0.855 -12.542 -12.185 1.00 51.00 H new ATOM 0 HB2 GLU A 71 0.574 -13.130 -14.575 1.00 32.13 H new ATOM 0 HB3 GLU A 71 -0.315 -11.684 -14.140 1.00 32.13 H new ATOM 0 HG2 GLU A 71 1.438 -10.272 -15.135 1.00 21.04 H new ATOM 0 HG3 GLU A 71 2.397 -11.690 -15.508 1.00 21.04 H new ATOM 1106 N LEU A 72 3.798 -11.973 -13.505 1.00 22.32 N ATOM 1107 CA LEU A 72 5.140 -12.519 -13.675 1.00 22.50 C ATOM 1108 C LEU A 72 5.659 -13.107 -12.367 1.00 31.25 C ATOM 1109 O LEU A 72 6.475 -14.029 -12.369 1.00 34.12 O ATOM 1110 CB LEU A 72 6.095 -11.433 -14.173 1.00 71.12 C ATOM 1111 CG LEU A 72 7.300 -11.917 -14.981 1.00 74.10 C ATOM 1112 CD1 LEU A 72 6.843 -12.659 -16.228 1.00 1.03 C ATOM 1113 CD2 LEU A 72 8.197 -10.746 -15.354 1.00 22.24 C ATOM 0 H LEU A 72 3.712 -10.984 -13.739 1.00 22.32 H new ATOM 0 HA LEU A 72 5.089 -13.317 -14.416 1.00 22.50 H new ATOM 0 HB2 LEU A 72 5.529 -10.733 -14.787 1.00 71.12 H new ATOM 0 HB3 LEU A 72 6.461 -10.876 -13.311 1.00 71.12 H new ATOM 0 HG LEU A 72 7.875 -12.607 -14.363 1.00 74.10 H new ATOM 0 HD11 LEU A 72 7.714 -12.996 -16.790 1.00 1.03 H new ATOM 0 HD12 LEU A 72 6.242 -13.521 -15.939 1.00 1.03 H new ATOM 0 HD13 LEU A 72 6.245 -11.992 -16.850 1.00 1.03 H new ATOM 0 HD21 LEU A 72 9.049 -11.109 -15.928 1.00 22.24 H new ATOM 0 HD22 LEU A 72 7.633 -10.032 -15.954 1.00 22.24 H new ATOM 0 HD23 LEU A 72 8.553 -10.257 -14.447 1.00 22.24 H new ATOM 1125 N SER A 73 5.179 -12.569 -11.250 1.00 54.43 N ATOM 1126 CA SER A 73 5.595 -13.039 -9.934 1.00 51.41 C ATOM 1127 C SER A 73 5.397 -14.546 -9.808 1.00 33.02 C ATOM 1128 O SER A 73 6.119 -15.219 -9.073 1.00 24.05 O ATOM 1129 CB SER A 73 4.808 -12.316 -8.839 1.00 4.21 C ATOM 1130 OG SER A 73 3.581 -12.972 -8.575 1.00 33.42 O ATOM 0 H SER A 73 4.501 -11.807 -11.230 1.00 54.43 H new ATOM 0 HA SER A 73 6.656 -12.818 -9.815 1.00 51.41 H new ATOM 0 HB2 SER A 73 5.404 -12.272 -7.927 1.00 4.21 H new ATOM 0 HB3 SER A 73 4.616 -11.287 -9.144 1.00 4.21 H new ATOM 0 HG SER A 73 2.890 -12.628 -9.179 1.00 33.42 H new ATOM 1136 N TYR A 74 4.412 -15.069 -10.530 1.00 63.31 N ATOM 1137 CA TYR A 74 4.116 -16.497 -10.498 1.00 1.40 C ATOM 1138 C TYR A 74 5.335 -17.315 -10.913 1.00 32.44 C ATOM 1139 O TYR A 74 5.620 -18.363 -10.333 1.00 22.15 O ATOM 1140 CB TYR A 74 2.937 -16.815 -11.419 1.00 12.14 C ATOM 1141 CG TYR A 74 2.136 -18.021 -10.982 1.00 63.12 C ATOM 1142 CD1 TYR A 74 1.599 -18.097 -9.703 1.00 10.20 C ATOM 1143 CD2 TYR A 74 1.918 -19.085 -11.848 1.00 61.33 C ATOM 1144 CE1 TYR A 74 0.868 -19.197 -9.299 1.00 75.25 C ATOM 1145 CE2 TYR A 74 1.187 -20.189 -11.454 1.00 12.21 C ATOM 1146 CZ TYR A 74 0.664 -20.240 -10.179 1.00 33.24 C ATOM 1147 OH TYR A 74 -0.064 -21.338 -9.781 1.00 72.45 O ATOM 0 H TYR A 74 3.805 -14.526 -11.144 1.00 63.31 H new ATOM 0 HA TYR A 74 3.852 -16.765 -9.475 1.00 1.40 H new ATOM 0 HB2 TYR A 74 2.278 -15.948 -11.464 1.00 12.14 H new ATOM 0 HB3 TYR A 74 3.311 -16.984 -12.429 1.00 12.14 H new ATOM 0 HD1 TYR A 74 1.756 -17.282 -9.012 1.00 10.20 H new ATOM 0 HD2 TYR A 74 2.327 -19.049 -12.847 1.00 61.33 H new ATOM 0 HE1 TYR A 74 0.459 -19.241 -8.301 1.00 75.25 H new ATOM 0 HE2 TYR A 74 1.026 -21.007 -12.140 1.00 12.21 H new ATOM 0 HH TYR A 74 -0.116 -21.981 -10.519 1.00 72.45 H new ATOM 1157 N VAL A 75 6.051 -16.829 -11.921 1.00 43.20 N ATOM 1158 CA VAL A 75 7.241 -17.513 -12.414 1.00 12.03 C ATOM 1159 C VAL A 75 8.369 -17.459 -11.390 1.00 44.12 C ATOM 1160 O VAL A 75 9.147 -18.404 -11.259 1.00 23.43 O ATOM 1161 CB VAL A 75 7.733 -16.899 -13.738 1.00 24.13 C ATOM 1162 CG1 VAL A 75 8.857 -17.736 -14.329 1.00 63.31 C ATOM 1163 CG2 VAL A 75 6.582 -16.765 -14.723 1.00 43.10 C ATOM 0 H VAL A 75 5.828 -15.964 -12.413 1.00 43.20 H new ATOM 0 HA VAL A 75 6.961 -18.552 -12.587 1.00 12.03 H new ATOM 0 HB VAL A 75 8.124 -15.902 -13.534 1.00 24.13 H new ATOM 0 HG11 VAL A 75 9.192 -17.287 -15.264 1.00 63.31 H new ATOM 0 HG12 VAL A 75 9.690 -17.775 -13.627 1.00 63.31 H new ATOM 0 HG13 VAL A 75 8.496 -18.747 -14.521 1.00 63.31 H new ATOM 0 HG21 VAL A 75 6.948 -16.329 -15.653 1.00 43.10 H new ATOM 0 HG22 VAL A 75 6.159 -17.749 -14.925 1.00 43.10 H new ATOM 0 HG23 VAL A 75 5.813 -16.120 -14.298 1.00 43.10 H new ATOM 1173 N ILE A 76 8.452 -16.347 -10.667 1.00 64.24 N ATOM 1174 CA ILE A 76 9.485 -16.171 -9.654 1.00 42.31 C ATOM 1175 C ILE A 76 9.476 -17.322 -8.654 1.00 5.20 C ATOM 1176 O ILE A 76 10.530 -17.811 -8.248 1.00 33.34 O ATOM 1177 CB ILE A 76 9.307 -14.843 -8.894 1.00 32.45 C ATOM 1178 CG1 ILE A 76 9.326 -13.665 -9.869 1.00 42.11 C ATOM 1179 CG2 ILE A 76 10.394 -14.685 -7.842 1.00 25.33 C ATOM 1180 CD1 ILE A 76 9.131 -12.323 -9.199 1.00 44.32 C ATOM 0 H ILE A 76 7.817 -15.555 -10.764 1.00 64.24 H new ATOM 0 HA ILE A 76 10.441 -16.155 -10.177 1.00 42.31 H new ATOM 0 HB ILE A 76 8.341 -14.857 -8.390 1.00 32.45 H new ATOM 0 HG12 ILE A 76 10.276 -13.661 -10.403 1.00 42.11 H new ATOM 0 HG13 ILE A 76 8.543 -13.807 -10.614 1.00 42.11 H new ATOM 0 HG21 ILE A 76 10.255 -13.742 -7.314 1.00 25.33 H new ATOM 0 HG22 ILE A 76 10.336 -15.510 -7.132 1.00 25.33 H new ATOM 0 HG23 ILE A 76 11.371 -14.689 -8.325 1.00 25.33 H new ATOM 0 HD11 ILE A 76 9.156 -11.534 -9.951 1.00 44.32 H new ATOM 0 HD12 ILE A 76 8.168 -12.308 -8.688 1.00 44.32 H new ATOM 0 HD13 ILE A 76 9.928 -12.159 -8.474 1.00 44.32 H new ATOM 1192 N GLU A 77 8.280 -17.750 -8.263 1.00 41.10 N ATOM 1193 CA GLU A 77 8.135 -18.845 -7.311 1.00 10.10 C ATOM 1194 C GLU A 77 8.922 -20.070 -7.767 1.00 31.20 C ATOM 1195 O GLU A 77 9.476 -20.805 -6.949 1.00 71.01 O ATOM 1196 CB GLU A 77 6.659 -19.208 -7.139 1.00 34.21 C ATOM 1197 CG GLU A 77 5.947 -18.379 -6.084 1.00 13.35 C ATOM 1198 CD GLU A 77 6.104 -18.951 -4.688 1.00 51.30 C ATOM 1199 OE1 GLU A 77 6.318 -20.175 -4.570 1.00 63.52 O ATOM 1200 OE2 GLU A 77 6.013 -18.174 -3.714 1.00 75.43 O ATOM 0 H GLU A 77 7.398 -17.356 -8.590 1.00 41.10 H new ATOM 0 HA GLU A 77 8.534 -18.515 -6.352 1.00 10.10 H new ATOM 0 HB2 GLU A 77 6.149 -19.081 -8.094 1.00 34.21 H new ATOM 0 HB3 GLU A 77 6.581 -20.262 -6.874 1.00 34.21 H new ATOM 0 HG2 GLU A 77 6.338 -17.362 -6.102 1.00 13.35 H new ATOM 0 HG3 GLU A 77 4.887 -18.317 -6.330 1.00 13.35 H new ATOM 1207 N ASP A 78 8.966 -20.284 -9.077 1.00 55.23 N ATOM 1208 CA ASP A 78 9.684 -21.419 -9.643 1.00 64.35 C ATOM 1209 C ASP A 78 11.119 -21.467 -9.127 1.00 11.42 C ATOM 1210 O ASP A 78 11.709 -22.539 -9.001 1.00 33.30 O ATOM 1211 CB ASP A 78 9.682 -21.342 -11.171 1.00 15.10 C ATOM 1212 CG ASP A 78 8.279 -21.293 -11.746 1.00 24.44 C ATOM 1213 OD1 ASP A 78 7.337 -21.717 -11.045 1.00 73.42 O ATOM 1214 OD2 ASP A 78 8.125 -20.832 -12.896 1.00 71.21 O ATOM 0 H ASP A 78 8.512 -19.686 -9.767 1.00 55.23 H new ATOM 0 HA ASP A 78 9.174 -22.331 -9.332 1.00 64.35 H new ATOM 0 HB2 ASP A 78 10.233 -20.456 -11.488 1.00 15.10 H new ATOM 0 HB3 ASP A 78 10.208 -22.207 -11.576 1.00 15.10 H new ATOM 1219 N ALA A 79 11.675 -20.296 -8.830 1.00 75.33 N ATOM 1220 CA ALA A 79 13.039 -20.204 -8.327 1.00 23.33 C ATOM 1221 C ALA A 79 13.239 -21.108 -7.115 1.00 2.35 C ATOM 1222 O ALA A 79 14.169 -21.914 -7.075 1.00 10.41 O ATOM 1223 CB ALA A 79 13.376 -18.763 -7.974 1.00 52.13 C ATOM 0 H ALA A 79 11.201 -19.398 -8.929 1.00 75.33 H new ATOM 0 HA ALA A 79 13.713 -20.541 -9.114 1.00 23.33 H new ATOM 0 HB1 ALA A 79 14.398 -18.710 -7.600 1.00 52.13 H new ATOM 0 HB2 ALA A 79 13.282 -18.139 -8.863 1.00 52.13 H new ATOM 0 HB3 ALA A 79 12.689 -18.406 -7.206 1.00 52.13 H new ATOM 1229 N VAL A 80 12.361 -20.967 -6.126 1.00 61.55 N ATOM 1230 CA VAL A 80 12.441 -21.771 -4.913 1.00 21.42 C ATOM 1231 C VAL A 80 11.746 -23.116 -5.097 1.00 52.41 C ATOM 1232 O VAL A 80 12.079 -24.095 -4.429 1.00 54.05 O ATOM 1233 CB VAL A 80 11.811 -21.040 -3.713 1.00 31.24 C ATOM 1234 CG1 VAL A 80 12.629 -19.811 -3.347 1.00 32.15 C ATOM 1235 CG2 VAL A 80 10.370 -20.660 -4.018 1.00 32.34 C ATOM 0 H VAL A 80 11.587 -20.303 -6.142 1.00 61.55 H new ATOM 0 HA VAL A 80 13.500 -21.937 -4.713 1.00 21.42 H new ATOM 0 HB VAL A 80 11.811 -21.715 -2.857 1.00 31.24 H new ATOM 0 HG11 VAL A 80 12.169 -19.307 -2.497 1.00 32.15 H new ATOM 0 HG12 VAL A 80 13.643 -20.114 -3.084 1.00 32.15 H new ATOM 0 HG13 VAL A 80 12.663 -19.130 -4.197 1.00 32.15 H new ATOM 0 HG21 VAL A 80 9.940 -20.144 -3.159 1.00 32.34 H new ATOM 0 HG22 VAL A 80 10.343 -20.002 -4.887 1.00 32.34 H new ATOM 0 HG23 VAL A 80 9.793 -21.561 -4.227 1.00 32.34 H new ATOM 1245 N ASP A 81 10.779 -23.155 -6.007 1.00 70.22 N ATOM 1246 CA ASP A 81 10.037 -24.380 -6.281 1.00 72.24 C ATOM 1247 C ASP A 81 10.986 -25.533 -6.591 1.00 64.15 C ATOM 1248 O ASP A 81 10.748 -26.673 -6.193 1.00 35.24 O ATOM 1249 CB ASP A 81 9.074 -24.168 -7.451 1.00 11.44 C ATOM 1250 CG ASP A 81 7.971 -25.207 -7.489 1.00 11.14 C ATOM 1251 OD1 ASP A 81 8.282 -26.395 -7.713 1.00 64.51 O ATOM 1252 OD2 ASP A 81 6.796 -24.832 -7.293 1.00 1.01 O ATOM 0 H ASP A 81 10.491 -22.353 -6.567 1.00 70.22 H new ATOM 0 HA ASP A 81 9.464 -24.634 -5.390 1.00 72.24 H new ATOM 0 HB2 ASP A 81 8.631 -23.175 -7.378 1.00 11.44 H new ATOM 0 HB3 ASP A 81 9.632 -24.200 -8.387 1.00 11.44 H new ATOM 1257 N LYS A 82 12.064 -25.229 -7.307 1.00 22.15 N ATOM 1258 CA LYS A 82 13.051 -26.239 -7.671 1.00 1.31 C ATOM 1259 C LYS A 82 13.576 -26.958 -6.433 1.00 20.33 C ATOM 1260 O LYS A 82 14.049 -28.092 -6.515 1.00 72.11 O ATOM 1261 CB LYS A 82 14.213 -25.595 -8.431 1.00 1.13 C ATOM 1262 CG LYS A 82 13.811 -25.007 -9.772 1.00 42.03 C ATOM 1263 CD LYS A 82 13.464 -26.094 -10.776 1.00 11.22 C ATOM 1264 CE LYS A 82 14.708 -26.819 -11.265 1.00 43.44 C ATOM 1265 NZ LYS A 82 14.380 -27.869 -12.268 1.00 72.14 N ATOM 0 H LYS A 82 12.276 -24.291 -7.647 1.00 22.15 H new ATOM 0 HA LYS A 82 12.564 -26.971 -8.315 1.00 1.31 H new ATOM 0 HB2 LYS A 82 14.648 -24.808 -7.814 1.00 1.13 H new ATOM 0 HB3 LYS A 82 14.991 -26.342 -8.590 1.00 1.13 H new ATOM 0 HG2 LYS A 82 12.954 -24.347 -9.639 1.00 42.03 H new ATOM 0 HG3 LYS A 82 14.626 -24.397 -10.162 1.00 42.03 H new ATOM 0 HD2 LYS A 82 12.781 -26.809 -10.318 1.00 11.22 H new ATOM 0 HD3 LYS A 82 12.941 -25.653 -11.625 1.00 11.22 H new ATOM 0 HE2 LYS A 82 15.398 -26.099 -11.705 1.00 43.44 H new ATOM 0 HE3 LYS A 82 15.220 -27.274 -10.417 1.00 43.44 H new ATOM 0 HZ1 LYS A 82 14.662 -28.800 -11.901 1.00 72.14 H new ATOM 0 HZ2 LYS A 82 13.357 -27.865 -12.453 1.00 72.14 H new ATOM 0 HZ3 LYS A 82 14.892 -27.676 -13.152 1.00 72.14 H new ATOM 1279 N PHE A 83 13.489 -26.293 -5.286 1.00 35.03 N ATOM 1280 CA PHE A 83 13.954 -26.870 -4.030 1.00 4.31 C ATOM 1281 C PHE A 83 13.198 -28.155 -3.708 1.00 72.20 C ATOM 1282 O PHE A 83 13.800 -29.214 -3.526 1.00 74.40 O ATOM 1283 CB PHE A 83 13.784 -25.865 -2.889 1.00 2.04 C ATOM 1284 CG PHE A 83 14.489 -26.268 -1.625 1.00 34.42 C ATOM 1285 CD1 PHE A 83 13.916 -27.187 -0.760 1.00 64.41 C ATOM 1286 CD2 PHE A 83 15.723 -25.728 -1.301 1.00 71.13 C ATOM 1287 CE1 PHE A 83 14.562 -27.561 0.404 1.00 61.15 C ATOM 1288 CE2 PHE A 83 16.373 -26.098 -0.139 1.00 64.35 C ATOM 1289 CZ PHE A 83 15.792 -27.015 0.715 1.00 52.14 C ATOM 0 H PHE A 83 13.101 -25.354 -5.200 1.00 35.03 H new ATOM 0 HA PHE A 83 15.012 -27.110 -4.139 1.00 4.31 H new ATOM 0 HB2 PHE A 83 14.160 -24.894 -3.212 1.00 2.04 H new ATOM 0 HB3 PHE A 83 12.721 -25.742 -2.679 1.00 2.04 H new ATOM 0 HD1 PHE A 83 12.954 -27.616 -0.998 1.00 64.41 H new ATOM 0 HD2 PHE A 83 16.182 -25.010 -1.964 1.00 71.13 H new ATOM 0 HE1 PHE A 83 14.105 -28.279 1.069 1.00 61.15 H new ATOM 0 HE2 PHE A 83 17.335 -25.670 0.101 1.00 64.35 H new ATOM 0 HZ PHE A 83 16.298 -27.304 1.624 1.00 52.14 H new ATOM 1299 N LEU A 84 11.875 -28.054 -3.639 1.00 21.23 N ATOM 1300 CA LEU A 84 11.034 -29.208 -3.338 1.00 44.02 C ATOM 1301 C LEU A 84 10.906 -30.120 -4.554 1.00 44.11 C ATOM 1302 O LEU A 84 10.503 -31.277 -4.436 1.00 13.11 O ATOM 1303 CB LEU A 84 9.648 -28.749 -2.882 1.00 42.15 C ATOM 1304 CG LEU A 84 8.891 -27.838 -3.850 1.00 4.35 C ATOM 1305 CD1 LEU A 84 8.212 -28.658 -4.935 1.00 65.12 C ATOM 1306 CD2 LEU A 84 7.871 -26.994 -3.099 1.00 60.13 C ATOM 0 H LEU A 84 11.361 -27.185 -3.787 1.00 21.23 H new ATOM 0 HA LEU A 84 11.506 -29.771 -2.533 1.00 44.02 H new ATOM 0 HB2 LEU A 84 9.038 -29.633 -2.694 1.00 42.15 H new ATOM 0 HB3 LEU A 84 9.755 -28.227 -1.931 1.00 42.15 H new ATOM 0 HG LEU A 84 9.608 -27.169 -4.325 1.00 4.35 H new ATOM 0 HD11 LEU A 84 7.679 -27.993 -5.614 1.00 65.12 H new ATOM 0 HD12 LEU A 84 8.963 -29.218 -5.492 1.00 65.12 H new ATOM 0 HD13 LEU A 84 7.506 -29.352 -4.479 1.00 65.12 H new ATOM 0 HD21 LEU A 84 7.341 -26.352 -3.803 1.00 60.13 H new ATOM 0 HD22 LEU A 84 7.158 -27.647 -2.596 1.00 60.13 H new ATOM 0 HD23 LEU A 84 8.382 -26.378 -2.359 1.00 60.13 H new ATOM 1318 N VAL A 85 11.255 -29.592 -5.723 1.00 51.41 N ATOM 1319 CA VAL A 85 11.182 -30.359 -6.961 1.00 3.32 C ATOM 1320 C VAL A 85 12.189 -31.504 -6.958 1.00 11.34 C ATOM 1321 O VAL A 85 11.977 -32.531 -7.602 1.00 24.45 O ATOM 1322 CB VAL A 85 11.440 -29.467 -8.190 1.00 11.32 C ATOM 1323 CG1 VAL A 85 11.629 -30.317 -9.437 1.00 22.13 C ATOM 1324 CG2 VAL A 85 10.300 -28.477 -8.378 1.00 1.15 C ATOM 0 H VAL A 85 11.591 -28.636 -5.839 1.00 51.41 H new ATOM 0 HA VAL A 85 10.173 -30.766 -7.022 1.00 3.32 H new ATOM 0 HB VAL A 85 12.357 -28.903 -8.021 1.00 11.32 H new ATOM 0 HG11 VAL A 85 11.810 -29.669 -10.295 1.00 22.13 H new ATOM 0 HG12 VAL A 85 12.481 -30.982 -9.298 1.00 22.13 H new ATOM 0 HG13 VAL A 85 10.731 -30.910 -9.613 1.00 22.13 H new ATOM 0 HG21 VAL A 85 10.499 -27.855 -9.251 1.00 1.15 H new ATOM 0 HG22 VAL A 85 9.367 -29.020 -8.525 1.00 1.15 H new ATOM 0 HG23 VAL A 85 10.217 -27.845 -7.493 1.00 1.15 H new ATOM 1334 N ARG A 86 13.284 -31.319 -6.228 1.00 23.21 N ATOM 1335 CA ARG A 86 14.325 -32.337 -6.141 1.00 53.31 C ATOM 1336 C ARG A 86 13.861 -33.518 -5.293 1.00 50.34 C ATOM 1337 O ARG A 86 13.885 -34.664 -5.741 1.00 74.22 O ATOM 1338 CB ARG A 86 15.603 -31.740 -5.548 1.00 72.44 C ATOM 1339 CG ARG A 86 16.617 -31.311 -6.596 1.00 10.43 C ATOM 1340 CD ARG A 86 17.111 -32.495 -7.412 1.00 54.22 C ATOM 1341 NE ARG A 86 18.468 -32.288 -7.910 1.00 71.51 N ATOM 1342 CZ ARG A 86 19.558 -32.492 -7.179 1.00 31.13 C ATOM 1343 NH1 ARG A 86 19.450 -32.906 -5.924 1.00 4.34 N ATOM 1344 NH2 ARG A 86 20.759 -32.282 -7.703 1.00 32.52 N ATOM 0 H ARG A 86 13.474 -30.474 -5.688 1.00 23.21 H new ATOM 0 HA ARG A 86 14.533 -32.696 -7.149 1.00 53.31 H new ATOM 0 HB2 ARG A 86 15.341 -30.878 -4.934 1.00 72.44 H new ATOM 0 HB3 ARG A 86 16.064 -32.474 -4.887 1.00 72.44 H new ATOM 0 HG2 ARG A 86 16.166 -30.573 -7.260 1.00 10.43 H new ATOM 0 HG3 ARG A 86 17.463 -30.826 -6.108 1.00 10.43 H new ATOM 0 HD2 ARG A 86 17.084 -33.395 -6.798 1.00 54.22 H new ATOM 0 HD3 ARG A 86 16.438 -32.662 -8.253 1.00 54.22 H new ATOM 0 HE ARG A 86 18.585 -31.969 -8.872 1.00 71.51 H new ATOM 0 HH11 ARG A 86 18.528 -33.068 -5.518 1.00 4.34 H new ATOM 0 HH12 ARG A 86 20.288 -33.062 -5.365 1.00 4.34 H new ATOM 0 HH21 ARG A 86 20.846 -31.964 -8.668 1.00 32.52 H new ATOM 0 HH22 ARG A 86 21.595 -32.439 -7.141 1.00 32.52 H new ATOM 1358 N VAL A 87 13.440 -33.229 -4.066 1.00 31.30 N ATOM 1359 CA VAL A 87 12.970 -34.267 -3.155 1.00 41.45 C ATOM 1360 C VAL A 87 11.718 -34.948 -3.697 1.00 44.33 C ATOM 1361 O VAL A 87 11.458 -36.116 -3.406 1.00 3.43 O ATOM 1362 CB VAL A 87 12.665 -33.692 -1.759 1.00 51.24 C ATOM 1363 CG1 VAL A 87 13.936 -33.167 -1.108 1.00 74.43 C ATOM 1364 CG2 VAL A 87 11.613 -32.597 -1.853 1.00 32.12 C ATOM 0 H VAL A 87 13.415 -32.285 -3.680 1.00 31.30 H new ATOM 0 HA VAL A 87 13.771 -35.001 -3.070 1.00 41.45 H new ATOM 0 HB VAL A 87 12.269 -34.492 -1.134 1.00 51.24 H new ATOM 0 HG11 VAL A 87 13.701 -32.765 -0.123 1.00 74.43 H new ATOM 0 HG12 VAL A 87 14.655 -33.980 -1.006 1.00 74.43 H new ATOM 0 HG13 VAL A 87 14.364 -32.380 -1.728 1.00 74.43 H new ATOM 0 HG21 VAL A 87 11.409 -32.202 -0.858 1.00 32.12 H new ATOM 0 HG22 VAL A 87 11.979 -31.795 -2.494 1.00 32.12 H new ATOM 0 HG23 VAL A 87 10.696 -33.009 -2.274 1.00 32.12 H new ATOM 1374 N HIS A 88 10.946 -34.210 -4.489 1.00 35.54 N ATOM 1375 CA HIS A 88 9.720 -34.744 -5.073 1.00 42.11 C ATOM 1376 C HIS A 88 10.031 -35.876 -6.047 1.00 62.23 C ATOM 1377 O HIS A 88 9.145 -36.637 -6.433 1.00 61.41 O ATOM 1378 CB HIS A 88 8.948 -33.636 -5.790 1.00 71.22 C ATOM 1379 CG HIS A 88 7.545 -34.019 -6.147 1.00 53.03 C ATOM 1380 ND1 HIS A 88 6.835 -33.415 -7.164 1.00 24.01 N ATOM 1381 CD2 HIS A 88 6.720 -34.952 -5.618 1.00 35.14 C ATOM 1382 CE1 HIS A 88 5.634 -33.959 -7.243 1.00 41.20 C ATOM 1383 NE2 HIS A 88 5.538 -34.895 -6.316 1.00 5.32 N ATOM 0 H HIS A 88 11.147 -33.242 -4.741 1.00 35.54 H new ATOM 0 HA HIS A 88 9.105 -35.142 -4.266 1.00 42.11 H new ATOM 0 HB2 HIS A 88 8.924 -32.751 -5.154 1.00 71.22 H new ATOM 0 HB3 HIS A 88 9.483 -33.361 -6.699 1.00 71.22 H new ATOM 0 HD2 HIS A 88 6.948 -35.618 -4.799 1.00 35.14 H new ATOM 0 HE1 HIS A 88 4.862 -33.685 -7.946 1.00 41.20 H new ATOM 0 HE2 HIS A 88 4.720 -35.480 -6.146 1.00 5.32 H new ATOM 1391 N GLY A 89 11.297 -35.980 -6.442 1.00 73.31 N ATOM 1392 CA GLY A 89 11.702 -37.021 -7.368 1.00 75.45 C ATOM 1393 C GLY A 89 11.809 -36.519 -8.795 1.00 11.15 C ATOM 1394 O GLY A 89 12.564 -37.066 -9.598 1.00 61.02 O ATOM 0 H GLY A 89 12.049 -35.362 -6.137 1.00 73.31 H new ATOM 0 HA2 GLY A 89 12.664 -37.426 -7.056 1.00 75.45 H new ATOM 0 HA3 GLY A 89 10.983 -37.839 -7.327 1.00 75.45 H new ATOM 1398 N VAL A 90 11.050 -35.474 -9.111 1.00 71.51 N ATOM 1399 CA VAL A 90 11.062 -34.898 -10.450 1.00 64.33 C ATOM 1400 C VAL A 90 12.451 -34.384 -10.814 1.00 55.42 C ATOM 1401 O VAL A 90 13.212 -33.958 -9.947 1.00 21.25 O ATOM 1402 CB VAL A 90 10.050 -33.744 -10.574 1.00 42.02 C ATOM 1403 CG1 VAL A 90 9.942 -33.281 -12.019 1.00 42.00 C ATOM 1404 CG2 VAL A 90 8.691 -34.168 -10.039 1.00 30.04 C ATOM 0 H VAL A 90 10.419 -35.009 -8.458 1.00 71.51 H new ATOM 0 HA VAL A 90 10.780 -35.693 -11.140 1.00 64.33 H new ATOM 0 HB VAL A 90 10.406 -32.906 -9.975 1.00 42.02 H new ATOM 0 HG11 VAL A 90 9.222 -32.465 -12.087 1.00 42.00 H new ATOM 0 HG12 VAL A 90 10.916 -32.935 -12.364 1.00 42.00 H new ATOM 0 HG13 VAL A 90 9.610 -34.111 -12.643 1.00 42.00 H new ATOM 0 HG21 VAL A 90 7.988 -33.340 -10.134 1.00 30.04 H new ATOM 0 HG22 VAL A 90 8.326 -35.022 -10.609 1.00 30.04 H new ATOM 0 HG23 VAL A 90 8.784 -34.446 -8.989 1.00 30.04 H new ATOM 1414 N GLU A 91 12.772 -34.425 -12.104 1.00 20.45 N ATOM 1415 CA GLU A 91 14.070 -33.963 -12.582 1.00 34.22 C ATOM 1416 C GLU A 91 13.916 -32.724 -13.459 1.00 62.12 C ATOM 1417 O GLU A 91 12.855 -32.461 -14.026 1.00 21.13 O ATOM 1418 CB GLU A 91 14.774 -35.073 -13.366 1.00 11.42 C ATOM 1419 CG GLU A 91 13.848 -35.848 -14.288 1.00 43.44 C ATOM 1420 CD GLU A 91 13.114 -36.965 -13.574 1.00 31.33 C ATOM 1421 OE1 GLU A 91 13.736 -37.632 -12.720 1.00 70.24 O ATOM 1422 OE2 GLU A 91 11.918 -37.173 -13.867 1.00 63.23 O ATOM 0 H GLU A 91 12.152 -34.773 -12.835 1.00 20.45 H new ATOM 0 HA GLU A 91 14.676 -33.700 -11.715 1.00 34.22 H new ATOM 0 HB2 GLU A 91 15.578 -34.635 -13.957 1.00 11.42 H new ATOM 0 HB3 GLU A 91 15.236 -35.766 -12.663 1.00 11.42 H new ATOM 0 HG2 GLU A 91 13.122 -35.163 -14.726 1.00 43.44 H new ATOM 0 HG3 GLU A 91 14.428 -36.267 -15.110 1.00 43.44 H new ATOM 1429 N PRO A 92 15.001 -31.943 -13.575 1.00 33.34 N ATOM 1430 CA PRO A 92 15.013 -30.719 -14.381 1.00 34.12 C ATOM 1431 C PRO A 92 14.942 -31.009 -15.876 1.00 74.02 C ATOM 1432 O PRO A 92 15.153 -32.142 -16.309 1.00 44.12 O ATOM 1433 CB PRO A 92 16.354 -30.073 -14.025 1.00 13.24 C ATOM 1434 CG PRO A 92 17.217 -31.207 -13.590 1.00 41.53 C ATOM 1435 CD PRO A 92 16.299 -32.196 -12.927 1.00 40.23 C ATOM 0 HA PRO A 92 14.151 -30.086 -14.173 1.00 34.12 H new ATOM 0 HB2 PRO A 92 16.784 -29.555 -14.882 1.00 13.24 H new ATOM 0 HB3 PRO A 92 16.240 -29.335 -13.231 1.00 13.24 H new ATOM 0 HG2 PRO A 92 17.727 -31.658 -14.441 1.00 41.53 H new ATOM 0 HG3 PRO A 92 17.989 -30.867 -12.899 1.00 41.53 H new ATOM 0 HD2 PRO A 92 16.633 -33.222 -13.083 1.00 40.23 H new ATOM 0 HD3 PRO A 92 16.248 -32.038 -11.850 1.00 40.23 H new ATOM 1443 N ASP A 93 14.643 -29.979 -16.660 1.00 72.12 N ATOM 1444 CA ASP A 93 14.545 -30.123 -18.108 1.00 65.31 C ATOM 1445 C ASP A 93 14.626 -28.764 -18.796 1.00 62.11 C ATOM 1446 O ASP A 93 14.607 -27.723 -18.140 1.00 11.24 O ATOM 1447 CB ASP A 93 13.239 -30.823 -18.486 1.00 20.24 C ATOM 1448 CG ASP A 93 13.343 -31.574 -19.799 1.00 11.14 C ATOM 1449 OD1 ASP A 93 14.351 -32.284 -19.998 1.00 73.32 O ATOM 1450 OD2 ASP A 93 12.416 -31.452 -20.626 1.00 50.12 O ATOM 0 H ASP A 93 14.464 -29.035 -16.317 1.00 72.12 H new ATOM 0 HA ASP A 93 15.384 -30.731 -18.445 1.00 65.31 H new ATOM 0 HB2 ASP A 93 12.961 -31.518 -17.694 1.00 20.24 H new ATOM 0 HB3 ASP A 93 12.441 -30.084 -18.556 1.00 20.24 H new ATOM 1455 N ASP A 94 14.718 -28.782 -20.121 1.00 74.33 N ATOM 1456 CA ASP A 94 14.801 -27.551 -20.899 1.00 24.42 C ATOM 1457 C ASP A 94 13.431 -27.157 -21.441 1.00 1.43 C ATOM 1458 O ASP A 94 13.027 -25.998 -21.350 1.00 21.22 O ATOM 1459 CB ASP A 94 15.791 -27.718 -22.053 1.00 22.32 C ATOM 1460 CG ASP A 94 15.496 -28.943 -22.896 1.00 60.01 C ATOM 1461 OD1 ASP A 94 15.906 -30.052 -22.495 1.00 44.01 O ATOM 1462 OD2 ASP A 94 14.855 -28.792 -23.958 1.00 24.52 O ATOM 0 H ASP A 94 14.737 -29.636 -20.679 1.00 74.33 H new ATOM 0 HA ASP A 94 15.153 -26.757 -20.240 1.00 24.42 H new ATOM 0 HB2 ASP A 94 15.761 -26.830 -22.685 1.00 22.32 H new ATOM 0 HB3 ASP A 94 16.802 -27.791 -21.653 1.00 22.32 H new ATOM 1467 N ASN A 95 12.721 -28.128 -22.005 1.00 64.15 N ATOM 1468 CA ASN A 95 11.397 -27.882 -22.564 1.00 11.41 C ATOM 1469 C ASN A 95 10.367 -27.684 -21.455 1.00 63.44 C ATOM 1470 O ASN A 95 9.371 -26.983 -21.635 1.00 3.43 O ATOM 1471 CB ASN A 95 10.976 -29.044 -23.465 1.00 61.12 C ATOM 1472 CG ASN A 95 9.935 -28.634 -24.489 1.00 62.41 C ATOM 1473 OD1 ASN A 95 8.812 -28.272 -24.138 1.00 61.12 O ATOM 1474 ND2 ASN A 95 10.305 -28.690 -25.763 1.00 72.53 N ATOM 0 H ASN A 95 13.040 -29.093 -22.087 1.00 64.15 H new ATOM 0 HA ASN A 95 11.445 -26.970 -23.159 1.00 11.41 H new ATOM 0 HB2 ASN A 95 11.853 -29.437 -23.980 1.00 61.12 H new ATOM 0 HB3 ASN A 95 10.579 -29.851 -22.850 1.00 61.12 H new ATOM 0 HD21 ASN A 95 9.648 -28.427 -26.497 1.00 72.53 H new ATOM 0 HD22 ASN A 95 11.247 -28.996 -26.008 1.00 72.53 H new ATOM 1481 N THR A 96 10.615 -28.308 -20.308 1.00 35.24 N ATOM 1482 CA THR A 96 9.710 -28.202 -19.170 1.00 31.31 C ATOM 1483 C THR A 96 9.834 -26.842 -18.494 1.00 15.41 C ATOM 1484 O THR A 96 8.847 -26.283 -18.017 1.00 34.21 O ATOM 1485 CB THR A 96 9.983 -29.306 -18.131 1.00 12.14 C ATOM 1486 OG1 THR A 96 10.206 -30.557 -18.791 1.00 45.52 O ATOM 1487 CG2 THR A 96 8.816 -29.439 -17.163 1.00 41.05 C ATOM 0 H THR A 96 11.435 -28.892 -20.142 1.00 35.24 H new ATOM 0 HA THR A 96 8.698 -28.321 -19.558 1.00 31.31 H new ATOM 0 HB THR A 96 10.874 -29.030 -17.567 1.00 12.14 H new ATOM 0 HG1 THR A 96 10.380 -31.253 -18.123 1.00 45.52 H new ATOM 0 HG21 THR A 96 9.032 -30.225 -16.439 1.00 41.05 H new ATOM 0 HG22 THR A 96 8.668 -28.494 -16.640 1.00 41.05 H new ATOM 0 HG23 THR A 96 7.912 -29.694 -17.716 1.00 41.05 H new ATOM 1495 N ASN A 97 11.052 -26.313 -18.457 1.00 44.11 N ATOM 1496 CA ASN A 97 11.305 -25.016 -17.839 1.00 74.20 C ATOM 1497 C ASN A 97 10.509 -23.917 -18.537 1.00 20.14 C ATOM 1498 O ASN A 97 10.167 -22.903 -17.930 1.00 4.03 O ATOM 1499 CB ASN A 97 12.798 -24.688 -17.885 1.00 43.23 C ATOM 1500 CG ASN A 97 13.572 -25.356 -16.765 1.00 0.40 C ATOM 1501 OD1 ASN A 97 13.215 -26.443 -16.311 1.00 13.31 O ATOM 1502 ND2 ASN A 97 14.638 -24.706 -16.313 1.00 44.35 N ATOM 0 H ASN A 97 11.880 -26.762 -18.848 1.00 44.11 H new ATOM 0 HA ASN A 97 10.984 -25.068 -16.799 1.00 74.20 H new ATOM 0 HB2 ASN A 97 13.207 -25.004 -18.845 1.00 43.23 H new ATOM 0 HB3 ASN A 97 12.932 -23.608 -17.822 1.00 43.23 H new ATOM 0 HD21 ASN A 97 15.198 -25.106 -15.560 1.00 44.35 H new ATOM 0 HD22 ASN A 97 14.897 -23.807 -16.719 1.00 44.35 H new ATOM 1509 N GLY A 98 10.217 -24.127 -19.817 1.00 13.13 N ATOM 1510 CA GLY A 98 9.463 -23.146 -20.576 1.00 22.20 C ATOM 1511 C GLY A 98 10.112 -21.776 -20.558 1.00 72.33 C ATOM 1512 O GLY A 98 9.436 -20.764 -20.374 1.00 50.20 O ATOM 0 H GLY A 98 10.489 -24.958 -20.342 1.00 13.13 H new ATOM 0 HA2 GLY A 98 9.366 -23.485 -21.607 1.00 22.20 H new ATOM 0 HA3 GLY A 98 8.455 -23.072 -20.168 1.00 22.20 H new ATOM 1516 N PHE A 99 11.427 -21.743 -20.749 1.00 35.43 N ATOM 1517 CA PHE A 99 12.167 -20.487 -20.751 1.00 64.32 C ATOM 1518 C PHE A 99 11.827 -19.657 -21.985 1.00 74.34 C ATOM 1519 O PHE A 99 11.917 -18.430 -21.967 1.00 10.52 O ATOM 1520 CB PHE A 99 13.673 -20.758 -20.705 1.00 34.42 C ATOM 1521 CG PHE A 99 14.485 -19.560 -20.306 1.00 25.13 C ATOM 1522 CD1 PHE A 99 14.166 -18.837 -19.168 1.00 34.33 C ATOM 1523 CD2 PHE A 99 15.570 -19.157 -21.068 1.00 53.23 C ATOM 1524 CE1 PHE A 99 14.912 -17.734 -18.799 1.00 14.12 C ATOM 1525 CE2 PHE A 99 16.320 -18.054 -20.704 1.00 73.31 C ATOM 1526 CZ PHE A 99 15.991 -17.343 -19.567 1.00 54.42 C ATOM 0 H PHE A 99 12.001 -22.571 -20.904 1.00 35.43 H new ATOM 0 HA PHE A 99 11.878 -19.923 -19.864 1.00 64.32 H new ATOM 0 HB2 PHE A 99 13.867 -21.569 -20.003 1.00 34.42 H new ATOM 0 HB3 PHE A 99 14.003 -21.100 -21.686 1.00 34.42 H new ATOM 0 HD1 PHE A 99 13.324 -19.139 -18.562 1.00 34.33 H new ATOM 0 HD2 PHE A 99 15.833 -19.711 -21.957 1.00 53.23 H new ATOM 0 HE1 PHE A 99 14.651 -17.178 -17.911 1.00 14.12 H new ATOM 0 HE2 PHE A 99 17.162 -17.749 -21.308 1.00 73.31 H new ATOM 0 HZ PHE A 99 16.577 -16.483 -19.279 1.00 54.42 H new ATOM 1536 N LYS A 100 11.435 -20.337 -23.058 1.00 13.50 N ATOM 1537 CA LYS A 100 11.079 -19.664 -24.302 1.00 62.41 C ATOM 1538 C LYS A 100 9.912 -18.706 -24.088 1.00 72.25 C ATOM 1539 O LYS A 100 9.983 -17.534 -24.455 1.00 62.02 O ATOM 1540 CB LYS A 100 10.718 -20.693 -25.376 1.00 45.04 C ATOM 1541 CG LYS A 100 11.905 -21.140 -26.213 1.00 53.02 C ATOM 1542 CD LYS A 100 12.753 -22.163 -25.476 1.00 41.33 C ATOM 1543 CE LYS A 100 13.998 -22.530 -26.270 1.00 13.13 C ATOM 1544 NZ LYS A 100 15.064 -21.499 -26.138 1.00 10.24 N ATOM 0 H LYS A 100 11.356 -21.353 -23.091 1.00 13.50 H new ATOM 0 HA LYS A 100 11.942 -19.088 -24.634 1.00 62.41 H new ATOM 0 HB2 LYS A 100 10.273 -21.565 -24.897 1.00 45.04 H new ATOM 0 HB3 LYS A 100 9.959 -20.269 -26.034 1.00 45.04 H new ATOM 0 HG2 LYS A 100 11.550 -21.568 -27.150 1.00 53.02 H new ATOM 0 HG3 LYS A 100 12.517 -20.275 -26.469 1.00 53.02 H new ATOM 0 HD2 LYS A 100 13.044 -21.764 -24.504 1.00 41.33 H new ATOM 0 HD3 LYS A 100 12.162 -23.060 -25.288 1.00 41.33 H new ATOM 0 HE2 LYS A 100 14.378 -23.492 -25.925 1.00 13.13 H new ATOM 0 HE3 LYS A 100 13.736 -22.649 -27.321 1.00 13.13 H new ATOM 0 HZ1 LYS A 100 15.895 -21.786 -26.693 1.00 10.24 H new ATOM 0 HZ2 LYS A 100 14.710 -20.587 -26.490 1.00 10.24 H new ATOM 0 HZ3 LYS A 100 15.332 -21.403 -25.138 1.00 10.24 H new ATOM 1558 N GLY A 101 8.837 -19.213 -23.491 1.00 64.02 N ATOM 1559 CA GLY A 101 7.671 -18.388 -23.238 1.00 12.21 C ATOM 1560 C GLY A 101 7.912 -17.361 -22.150 1.00 3.25 C ATOM 1561 O GLY A 101 7.513 -16.203 -22.279 1.00 4.43 O ATOM 0 H GLY A 101 8.754 -20.180 -23.178 1.00 64.02 H new ATOM 0 HA2 GLY A 101 7.384 -17.878 -24.158 1.00 12.21 H new ATOM 0 HA3 GLY A 101 6.834 -19.025 -22.953 1.00 12.21 H new ATOM 1565 N LEU A 102 8.566 -17.784 -21.073 1.00 75.52 N ATOM 1566 CA LEU A 102 8.859 -16.893 -19.956 1.00 35.41 C ATOM 1567 C LEU A 102 9.730 -15.725 -20.405 1.00 52.14 C ATOM 1568 O LEU A 102 9.469 -14.574 -20.058 1.00 13.43 O ATOM 1569 CB LEU A 102 9.557 -17.663 -18.834 1.00 20.14 C ATOM 1570 CG LEU A 102 10.234 -16.814 -17.758 1.00 3.43 C ATOM 1571 CD1 LEU A 102 9.215 -15.932 -17.054 1.00 11.43 C ATOM 1572 CD2 LEU A 102 10.958 -17.701 -16.755 1.00 12.51 C ATOM 0 H LEU A 102 8.903 -18.739 -20.950 1.00 75.52 H new ATOM 0 HA LEU A 102 7.915 -16.495 -19.583 1.00 35.41 H new ATOM 0 HB2 LEU A 102 8.822 -18.307 -18.351 1.00 20.14 H new ATOM 0 HB3 LEU A 102 10.308 -18.315 -19.280 1.00 20.14 H new ATOM 0 HG LEU A 102 10.969 -16.170 -18.240 1.00 3.43 H new ATOM 0 HD11 LEU A 102 9.715 -15.335 -16.292 1.00 11.43 H new ATOM 0 HD12 LEU A 102 8.743 -15.271 -17.780 1.00 11.43 H new ATOM 0 HD13 LEU A 102 8.455 -16.557 -16.585 1.00 11.43 H new ATOM 0 HD21 LEU A 102 11.434 -17.079 -15.997 1.00 12.51 H new ATOM 0 HD22 LEU A 102 10.242 -18.371 -16.278 1.00 12.51 H new ATOM 0 HD23 LEU A 102 11.717 -18.289 -17.271 1.00 12.51 H new ATOM 1584 N MET A 103 10.765 -16.029 -21.182 1.00 34.42 N ATOM 1585 CA MET A 103 11.672 -15.003 -21.682 1.00 23.42 C ATOM 1586 C MET A 103 10.919 -13.967 -22.509 1.00 75.03 C ATOM 1587 O MET A 103 11.180 -12.768 -22.410 1.00 22.13 O ATOM 1588 CB MET A 103 12.780 -15.639 -22.525 1.00 13.22 C ATOM 1589 CG MET A 103 13.841 -14.650 -22.979 1.00 1.13 C ATOM 1590 SD MET A 103 15.058 -14.300 -21.695 1.00 43.54 S ATOM 1591 CE MET A 103 14.325 -12.863 -20.917 1.00 2.23 C ATOM 0 H MET A 103 10.996 -16.977 -21.479 1.00 34.42 H new ATOM 0 HA MET A 103 12.120 -14.501 -20.825 1.00 23.42 H new ATOM 0 HB2 MET A 103 13.256 -16.431 -21.947 1.00 13.22 H new ATOM 0 HB3 MET A 103 12.334 -16.109 -23.402 1.00 13.22 H new ATOM 0 HG2 MET A 103 14.349 -15.046 -23.858 1.00 1.13 H new ATOM 0 HG3 MET A 103 13.360 -13.720 -23.281 1.00 1.13 H new ATOM 0 HE1 MET A 103 15.104 -12.136 -20.688 1.00 2.23 H new ATOM 0 HE2 MET A 103 13.598 -12.414 -21.594 1.00 2.23 H new ATOM 0 HE3 MET A 103 13.826 -13.163 -19.995 1.00 2.23 H new ATOM 1601 N LYS A 104 9.982 -14.436 -23.326 1.00 72.54 N ATOM 1602 CA LYS A 104 9.189 -13.551 -24.171 1.00 32.11 C ATOM 1603 C LYS A 104 8.177 -12.769 -23.340 1.00 11.31 C ATOM 1604 O LYS A 104 7.825 -11.638 -23.676 1.00 60.04 O ATOM 1605 CB LYS A 104 8.463 -14.357 -25.251 1.00 25.12 C ATOM 1606 CG LYS A 104 8.291 -13.605 -26.559 1.00 3.42 C ATOM 1607 CD LYS A 104 9.533 -13.707 -27.429 1.00 31.13 C ATOM 1608 CE LYS A 104 10.485 -12.547 -27.180 1.00 52.05 C ATOM 1609 NZ LYS A 104 11.348 -12.275 -28.363 1.00 51.11 N ATOM 0 H LYS A 104 9.753 -15.425 -23.421 1.00 72.54 H new ATOM 0 HA LYS A 104 9.866 -12.843 -24.649 1.00 32.11 H new ATOM 0 HB2 LYS A 104 9.017 -15.276 -25.440 1.00 25.12 H new ATOM 0 HB3 LYS A 104 7.481 -14.648 -24.877 1.00 25.12 H new ATOM 0 HG2 LYS A 104 7.433 -14.005 -27.100 1.00 3.42 H new ATOM 0 HG3 LYS A 104 8.076 -12.557 -26.351 1.00 3.42 H new ATOM 0 HD2 LYS A 104 10.044 -14.648 -27.227 1.00 31.13 H new ATOM 0 HD3 LYS A 104 9.242 -13.722 -28.479 1.00 31.13 H new ATOM 0 HE2 LYS A 104 9.912 -11.653 -26.935 1.00 52.05 H new ATOM 0 HE3 LYS A 104 11.112 -12.770 -26.317 1.00 52.05 H new ATOM 0 HZ1 LYS A 104 11.983 -11.478 -28.154 1.00 51.11 H new ATOM 0 HZ2 LYS A 104 11.914 -13.120 -28.582 1.00 51.11 H new ATOM 0 HZ3 LYS A 104 10.751 -12.037 -29.181 1.00 51.11 H new ATOM 1623 N ARG A 105 7.714 -13.377 -22.253 1.00 32.41 N ATOM 1624 CA ARG A 105 6.743 -12.737 -21.374 1.00 74.10 C ATOM 1625 C ARG A 105 7.403 -11.643 -20.540 1.00 55.33 C ATOM 1626 O ARG A 105 6.764 -10.656 -20.172 1.00 74.24 O ATOM 1627 CB ARG A 105 6.095 -13.773 -20.454 1.00 32.41 C ATOM 1628 CG ARG A 105 4.613 -13.535 -20.216 1.00 54.13 C ATOM 1629 CD ARG A 105 4.001 -14.634 -19.362 1.00 23.41 C ATOM 1630 NE ARG A 105 2.577 -14.414 -19.123 1.00 64.43 N ATOM 1631 CZ ARG A 105 1.632 -14.686 -20.016 1.00 41.22 C ATOM 1632 NH1 ARG A 105 1.958 -15.185 -21.200 1.00 71.24 N ATOM 1633 NH2 ARG A 105 0.358 -14.458 -19.725 1.00 73.20 N ATOM 0 H ARG A 105 7.996 -14.312 -21.960 1.00 32.41 H new ATOM 0 HA ARG A 105 5.973 -12.281 -21.996 1.00 74.10 H new ATOM 0 HB2 ARG A 105 6.230 -14.765 -20.886 1.00 32.41 H new ATOM 0 HB3 ARG A 105 6.613 -13.769 -19.495 1.00 32.41 H new ATOM 0 HG2 ARG A 105 4.472 -12.572 -19.726 1.00 54.13 H new ATOM 0 HG3 ARG A 105 4.093 -13.485 -21.173 1.00 54.13 H new ATOM 0 HD2 ARG A 105 4.141 -15.596 -19.855 1.00 23.41 H new ATOM 0 HD3 ARG A 105 4.525 -14.685 -18.408 1.00 23.41 H new ATOM 0 HE ARG A 105 2.293 -14.031 -18.221 1.00 64.43 H new ATOM 0 HH11 ARG A 105 2.937 -15.361 -21.427 1.00 71.24 H new ATOM 0 HH12 ARG A 105 1.230 -15.393 -21.884 1.00 71.24 H new ATOM 0 HH21 ARG A 105 0.104 -14.074 -18.815 1.00 73.20 H new ATOM 0 HH22 ARG A 105 -0.367 -14.667 -20.411 1.00 73.20 H new ATOM 1647 N THR A 106 8.686 -11.824 -20.245 1.00 0.25 N ATOM 1648 CA THR A 106 9.432 -10.854 -19.453 1.00 42.32 C ATOM 1649 C THR A 106 9.857 -9.661 -20.303 1.00 32.33 C ATOM 1650 O THR A 106 9.608 -8.510 -19.944 1.00 52.33 O ATOM 1651 CB THR A 106 10.684 -11.490 -18.819 1.00 52.43 C ATOM 1652 OG1 THR A 106 11.433 -12.195 -19.815 1.00 50.34 O ATOM 1653 CG2 THR A 106 10.298 -12.443 -17.699 1.00 12.05 C ATOM 0 H THR A 106 9.230 -12.634 -20.543 1.00 0.25 H new ATOM 0 HA THR A 106 8.766 -10.514 -18.660 1.00 42.32 H new ATOM 0 HB THR A 106 11.298 -10.692 -18.401 1.00 52.43 H new ATOM 0 HG1 THR A 106 10.882 -12.311 -20.617 1.00 50.34 H new ATOM 0 HG21 THR A 106 11.198 -12.880 -17.267 1.00 12.05 H new ATOM 0 HG22 THR A 106 9.753 -11.897 -16.929 1.00 12.05 H new ATOM 0 HG23 THR A 106 9.665 -13.236 -18.098 1.00 12.05 H new ATOM 1661 N THR A 107 10.499 -9.944 -21.432 1.00 3.31 N ATOM 1662 CA THR A 107 10.959 -8.894 -22.333 1.00 30.24 C ATOM 1663 C THR A 107 9.830 -7.929 -22.674 1.00 75.01 C ATOM 1664 O THR A 107 10.051 -6.728 -22.833 1.00 64.51 O ATOM 1665 CB THR A 107 11.528 -9.483 -23.637 1.00 72.13 C ATOM 1666 OG1 THR A 107 11.946 -8.427 -24.510 1.00 31.41 O ATOM 1667 CG2 THR A 107 10.490 -10.347 -24.339 1.00 4.32 C ATOM 0 H THR A 107 10.712 -10.891 -21.744 1.00 3.31 H new ATOM 0 HA THR A 107 11.749 -8.354 -21.812 1.00 30.24 H new ATOM 0 HB THR A 107 12.386 -10.106 -23.384 1.00 72.13 H new ATOM 0 HG1 THR A 107 12.308 -8.810 -25.336 1.00 31.41 H new ATOM 0 HG21 THR A 107 10.915 -10.752 -25.257 1.00 4.32 H new ATOM 0 HG22 THR A 107 10.195 -11.166 -23.683 1.00 4.32 H new ATOM 0 HG23 THR A 107 9.616 -9.742 -24.580 1.00 4.32 H new ATOM 1675 N LYS A 108 8.617 -8.460 -22.785 1.00 72.40 N ATOM 1676 CA LYS A 108 7.451 -7.646 -23.106 1.00 34.12 C ATOM 1677 C LYS A 108 7.324 -6.473 -22.139 1.00 52.24 C ATOM 1678 O LYS A 108 6.949 -5.368 -22.534 1.00 54.11 O ATOM 1679 CB LYS A 108 6.180 -8.498 -23.060 1.00 50.10 C ATOM 1680 CG LYS A 108 5.054 -7.958 -23.926 1.00 25.35 C ATOM 1681 CD LYS A 108 5.317 -8.209 -25.401 1.00 54.31 C ATOM 1682 CE LYS A 108 4.856 -9.596 -25.822 1.00 14.15 C ATOM 1683 NZ LYS A 108 4.626 -9.683 -27.290 1.00 53.53 N ATOM 0 H LYS A 108 8.416 -9.452 -22.657 1.00 72.40 H new ATOM 0 HA LYS A 108 7.581 -7.252 -24.114 1.00 34.12 H new ATOM 0 HB2 LYS A 108 6.420 -9.511 -23.381 1.00 50.10 H new ATOM 0 HB3 LYS A 108 5.834 -8.564 -22.028 1.00 50.10 H new ATOM 0 HG2 LYS A 108 4.114 -8.429 -23.638 1.00 25.35 H new ATOM 0 HG3 LYS A 108 4.941 -6.888 -23.752 1.00 25.35 H new ATOM 0 HD2 LYS A 108 4.800 -7.456 -25.997 1.00 54.31 H new ATOM 0 HD3 LYS A 108 6.382 -8.101 -25.605 1.00 54.31 H new ATOM 0 HE2 LYS A 108 5.604 -10.332 -25.528 1.00 14.15 H new ATOM 0 HE3 LYS A 108 3.936 -9.848 -25.295 1.00 14.15 H new ATOM 0 HZ1 LYS A 108 4.313 -10.644 -27.536 1.00 53.53 H new ATOM 0 HZ2 LYS A 108 3.894 -8.999 -27.568 1.00 53.53 H new ATOM 0 HZ3 LYS A 108 5.510 -9.467 -27.793 1.00 53.53 H new ATOM 1697 N LEU A 109 7.640 -6.719 -20.873 1.00 11.22 N ATOM 1698 CA LEU A 109 7.563 -5.682 -19.850 1.00 12.33 C ATOM 1699 C LEU A 109 8.728 -4.705 -19.975 1.00 61.51 C ATOM 1700 O LEU A 109 8.560 -3.496 -19.810 1.00 73.42 O ATOM 1701 CB LEU A 109 7.558 -6.312 -18.456 1.00 24.01 C ATOM 1702 CG LEU A 109 6.398 -7.260 -18.152 1.00 31.03 C ATOM 1703 CD1 LEU A 109 6.538 -7.844 -16.754 1.00 52.14 C ATOM 1704 CD2 LEU A 109 5.067 -6.538 -18.299 1.00 54.11 C ATOM 0 H LEU A 109 7.952 -7.627 -20.530 1.00 11.22 H new ATOM 0 HA LEU A 109 6.634 -5.131 -19.996 1.00 12.33 H new ATOM 0 HB2 LEU A 109 8.492 -6.858 -18.323 1.00 24.01 H new ATOM 0 HB3 LEU A 109 7.549 -5.511 -17.717 1.00 24.01 H new ATOM 0 HG LEU A 109 6.426 -8.079 -18.870 1.00 31.03 H new ATOM 0 HD11 LEU A 109 5.703 -8.516 -16.555 1.00 52.14 H new ATOM 0 HD12 LEU A 109 7.474 -8.397 -16.683 1.00 52.14 H new ATOM 0 HD13 LEU A 109 6.537 -7.037 -16.021 1.00 52.14 H new ATOM 0 HD21 LEU A 109 4.252 -7.228 -18.079 1.00 54.11 H new ATOM 0 HD22 LEU A 109 5.030 -5.699 -17.604 1.00 54.11 H new ATOM 0 HD23 LEU A 109 4.964 -6.169 -19.319 1.00 54.11 H new ATOM 1716 N LEU A 110 9.909 -5.237 -20.270 1.00 23.13 N ATOM 1717 CA LEU A 110 11.103 -4.413 -20.420 1.00 43.41 C ATOM 1718 C LEU A 110 10.995 -3.516 -21.649 1.00 70.35 C ATOM 1719 O LEU A 110 11.619 -2.457 -21.716 1.00 63.34 O ATOM 1720 CB LEU A 110 12.347 -5.297 -20.527 1.00 42.52 C ATOM 1721 CG LEU A 110 12.616 -6.223 -19.341 1.00 63.21 C ATOM 1722 CD1 LEU A 110 13.766 -7.169 -19.653 1.00 12.03 C ATOM 1723 CD2 LEU A 110 12.915 -5.413 -18.088 1.00 54.11 C ATOM 0 H LEU A 110 10.065 -6.235 -20.410 1.00 23.13 H new ATOM 0 HA LEU A 110 11.190 -3.779 -19.537 1.00 43.41 H new ATOM 0 HB2 LEU A 110 12.258 -5.907 -21.426 1.00 42.52 H new ATOM 0 HB3 LEU A 110 13.215 -4.653 -20.663 1.00 42.52 H new ATOM 0 HG LEU A 110 11.721 -6.818 -19.159 1.00 63.21 H new ATOM 0 HD11 LEU A 110 13.943 -7.821 -18.797 1.00 12.03 H new ATOM 0 HD12 LEU A 110 13.513 -7.774 -20.524 1.00 12.03 H new ATOM 0 HD13 LEU A 110 14.666 -6.591 -19.862 1.00 12.03 H new ATOM 0 HD21 LEU A 110 13.104 -6.089 -17.254 1.00 54.11 H new ATOM 0 HD22 LEU A 110 13.794 -4.792 -18.258 1.00 54.11 H new ATOM 0 HD23 LEU A 110 12.061 -4.777 -17.853 1.00 54.11 H new ATOM 1735 N LYS A 111 10.197 -3.947 -22.620 1.00 55.34 N ATOM 1736 CA LYS A 111 10.002 -3.183 -23.847 1.00 42.30 C ATOM 1737 C LYS A 111 9.451 -1.794 -23.541 1.00 43.52 C ATOM 1738 O LYS A 111 9.617 -0.861 -24.328 1.00 63.31 O ATOM 1739 CB LYS A 111 9.051 -3.924 -24.789 1.00 31.21 C ATOM 1740 CG LYS A 111 9.736 -4.983 -25.635 1.00 70.14 C ATOM 1741 CD LYS A 111 8.907 -5.343 -26.856 1.00 75.45 C ATOM 1742 CE LYS A 111 9.236 -4.445 -28.039 1.00 64.50 C ATOM 1743 NZ LYS A 111 8.410 -4.775 -29.233 1.00 63.43 N ATOM 0 H LYS A 111 9.674 -4.822 -22.581 1.00 55.34 H new ATOM 0 HA LYS A 111 10.971 -3.072 -24.333 1.00 42.30 H new ATOM 0 HB2 LYS A 111 8.263 -4.395 -24.200 1.00 31.21 H new ATOM 0 HB3 LYS A 111 8.569 -3.201 -25.447 1.00 31.21 H new ATOM 0 HG2 LYS A 111 10.714 -4.620 -25.952 1.00 70.14 H new ATOM 0 HG3 LYS A 111 9.907 -5.876 -25.034 1.00 70.14 H new ATOM 0 HD2 LYS A 111 9.088 -6.383 -27.126 1.00 75.45 H new ATOM 0 HD3 LYS A 111 7.847 -5.256 -26.616 1.00 75.45 H new ATOM 0 HE2 LYS A 111 9.073 -3.404 -27.761 1.00 64.50 H new ATOM 0 HE3 LYS A 111 10.292 -4.546 -28.289 1.00 64.50 H new ATOM 0 HZ1 LYS A 111 8.664 -4.141 -30.017 1.00 63.43 H new ATOM 0 HZ2 LYS A 111 8.585 -5.761 -29.514 1.00 63.43 H new ATOM 0 HZ3 LYS A 111 7.403 -4.654 -29.003 1.00 63.43 H new ATOM 1757 N LYS A 112 8.796 -1.661 -22.393 1.00 22.52 N ATOM 1758 CA LYS A 112 8.223 -0.386 -21.981 1.00 10.33 C ATOM 1759 C LYS A 112 9.265 0.476 -21.275 1.00 12.31 C ATOM 1760 O LYS A 112 9.221 1.704 -21.347 1.00 40.52 O ATOM 1761 CB LYS A 112 7.025 -0.616 -21.056 1.00 63.24 C ATOM 1762 CG LYS A 112 5.726 -0.881 -21.798 1.00 45.52 C ATOM 1763 CD LYS A 112 5.555 -2.357 -22.114 1.00 1.02 C ATOM 1764 CE LYS A 112 4.299 -2.609 -22.934 1.00 64.51 C ATOM 1765 NZ LYS A 112 3.071 -2.570 -22.094 1.00 14.23 N ATOM 0 H LYS A 112 8.649 -2.422 -21.730 1.00 22.52 H new ATOM 0 HA LYS A 112 7.888 0.139 -22.876 1.00 10.33 H new ATOM 0 HB2 LYS A 112 7.239 -1.461 -20.402 1.00 63.24 H new ATOM 0 HB3 LYS A 112 6.897 0.258 -20.417 1.00 63.24 H new ATOM 0 HG2 LYS A 112 4.885 -0.537 -21.195 1.00 45.52 H new ATOM 0 HG3 LYS A 112 5.711 -0.306 -22.724 1.00 45.52 H new ATOM 0 HD2 LYS A 112 6.426 -2.716 -22.661 1.00 1.02 H new ATOM 0 HD3 LYS A 112 5.505 -2.926 -21.185 1.00 1.02 H new ATOM 0 HE2 LYS A 112 4.224 -1.860 -23.722 1.00 64.51 H new ATOM 0 HE3 LYS A 112 4.374 -3.580 -23.423 1.00 64.51 H new ATOM 0 HZ1 LYS A 112 2.237 -2.746 -22.690 1.00 14.23 H new ATOM 0 HZ2 LYS A 112 3.131 -3.302 -21.357 1.00 14.23 H new ATOM 0 HZ3 LYS A 112 2.986 -1.635 -21.647 1.00 14.23 H new ATOM 1779 N VAL A 113 10.202 -0.175 -20.594 1.00 21.14 N ATOM 1780 CA VAL A 113 11.257 0.532 -19.877 1.00 32.00 C ATOM 1781 C VAL A 113 12.371 0.962 -20.824 1.00 4.21 C ATOM 1782 O VAL A 113 12.915 2.060 -20.702 1.00 53.35 O ATOM 1783 CB VAL A 113 11.857 -0.340 -18.758 1.00 12.21 C ATOM 1784 CG1 VAL A 113 12.812 0.476 -17.899 1.00 74.34 C ATOM 1785 CG2 VAL A 113 10.752 -0.950 -17.909 1.00 22.34 C ATOM 0 H VAL A 113 10.252 -1.191 -20.523 1.00 21.14 H new ATOM 0 HA VAL A 113 10.800 1.416 -19.432 1.00 32.00 H new ATOM 0 HB VAL A 113 12.422 -1.152 -19.216 1.00 12.21 H new ATOM 0 HG11 VAL A 113 13.226 -0.157 -17.114 1.00 74.34 H new ATOM 0 HG12 VAL A 113 13.621 0.861 -18.520 1.00 74.34 H new ATOM 0 HG13 VAL A 113 12.274 1.309 -17.447 1.00 74.34 H new ATOM 0 HG21 VAL A 113 11.193 -1.563 -17.123 1.00 22.34 H new ATOM 0 HG22 VAL A 113 10.158 -0.155 -17.458 1.00 22.34 H new ATOM 0 HG23 VAL A 113 10.111 -1.570 -18.536 1.00 22.34 H new ATOM 1795 N VAL A 114 12.708 0.089 -21.768 1.00 51.54 N ATOM 1796 CA VAL A 114 13.757 0.379 -22.738 1.00 42.23 C ATOM 1797 C VAL A 114 13.441 1.643 -23.529 1.00 54.53 C ATOM 1798 O VAL A 114 14.334 2.426 -23.853 1.00 65.30 O ATOM 1799 CB VAL A 114 13.953 -0.792 -23.720 1.00 2.42 C ATOM 1800 CG1 VAL A 114 12.654 -1.102 -24.447 1.00 32.42 C ATOM 1801 CG2 VAL A 114 15.065 -0.476 -24.709 1.00 60.51 C ATOM 0 H VAL A 114 12.270 -0.825 -21.882 1.00 51.54 H new ATOM 0 HA VAL A 114 14.677 0.528 -22.173 1.00 42.23 H new ATOM 0 HB VAL A 114 14.243 -1.676 -23.152 1.00 2.42 H new ATOM 0 HG11 VAL A 114 12.812 -1.932 -25.136 1.00 32.42 H new ATOM 0 HG12 VAL A 114 11.887 -1.374 -23.722 1.00 32.42 H new ATOM 0 HG13 VAL A 114 12.331 -0.223 -25.005 1.00 32.42 H new ATOM 0 HG21 VAL A 114 15.190 -1.313 -25.395 1.00 60.51 H new ATOM 0 HG22 VAL A 114 14.806 0.420 -25.273 1.00 60.51 H new ATOM 0 HG23 VAL A 114 15.996 -0.308 -24.168 1.00 60.51 H new ATOM 1811 N ASP A 115 12.163 1.838 -23.837 1.00 30.40 N ATOM 1812 CA ASP A 115 11.727 3.008 -24.589 1.00 40.42 C ATOM 1813 C ASP A 115 11.848 4.273 -23.744 1.00 71.15 C ATOM 1814 O ASP A 115 11.716 5.387 -24.252 1.00 65.12 O ATOM 1815 CB ASP A 115 10.283 2.830 -25.059 1.00 55.33 C ATOM 1816 CG ASP A 115 10.003 3.558 -26.359 1.00 51.14 C ATOM 1817 OD1 ASP A 115 10.702 3.282 -27.357 1.00 21.32 O ATOM 1818 OD2 ASP A 115 9.084 4.404 -26.380 1.00 23.42 O ATOM 0 H ASP A 115 11.411 1.200 -23.577 1.00 30.40 H new ATOM 0 HA ASP A 115 12.374 3.111 -25.460 1.00 40.42 H new ATOM 0 HB2 ASP A 115 10.075 1.768 -25.189 1.00 55.33 H new ATOM 0 HB3 ASP A 115 9.605 3.196 -24.288 1.00 55.33 H new ATOM 1823 N LYS A 116 12.098 4.093 -22.452 1.00 0.20 N ATOM 1824 CA LYS A 116 12.237 5.219 -21.535 1.00 70.53 C ATOM 1825 C LYS A 116 13.702 5.612 -21.375 1.00 20.45 C ATOM 1826 O LYS A 116 14.079 6.758 -21.623 1.00 35.43 O ATOM 1827 CB LYS A 116 11.639 4.868 -20.171 1.00 2.22 C ATOM 1828 CG LYS A 116 10.283 5.504 -19.919 1.00 50.15 C ATOM 1829 CD LYS A 116 9.282 4.491 -19.390 1.00 13.43 C ATOM 1830 CE LYS A 116 7.855 5.004 -19.508 1.00 13.22 C ATOM 1831 NZ LYS A 116 7.310 4.817 -20.881 1.00 51.00 N ATOM 0 H LYS A 116 12.209 3.178 -22.015 1.00 0.20 H new ATOM 0 HA LYS A 116 11.696 6.067 -21.954 1.00 70.53 H new ATOM 0 HB2 LYS A 116 11.543 3.785 -20.094 1.00 2.22 H new ATOM 0 HB3 LYS A 116 12.330 5.183 -19.389 1.00 2.22 H new ATOM 0 HG2 LYS A 116 10.390 6.319 -19.203 1.00 50.15 H new ATOM 0 HG3 LYS A 116 9.907 5.940 -20.845 1.00 50.15 H new ATOM 0 HD2 LYS A 116 9.381 3.557 -19.943 1.00 13.43 H new ATOM 0 HD3 LYS A 116 9.505 4.269 -18.346 1.00 13.43 H new ATOM 0 HE2 LYS A 116 7.221 4.482 -18.791 1.00 13.22 H new ATOM 0 HE3 LYS A 116 7.827 6.062 -19.247 1.00 13.22 H new ATOM 0 HZ1 LYS A 116 6.336 5.179 -20.920 1.00 51.00 H new ATOM 0 HZ2 LYS A 116 7.900 5.336 -21.562 1.00 51.00 H new ATOM 0 HZ3 LYS A 116 7.313 3.805 -21.121 1.00 51.00 H new ATOM 1845 N HIS A 117 14.525 4.654 -20.959 1.00 71.11 N ATOM 1846 CA HIS A 117 15.950 4.900 -20.768 1.00 12.25 C ATOM 1847 C HIS A 117 16.785 3.922 -21.588 1.00 3.11 C ATOM 1848 O HIS A 117 17.926 4.213 -21.946 1.00 31.24 O ATOM 1849 CB HIS A 117 16.314 4.784 -19.287 1.00 64.33 C ATOM 1850 CG HIS A 117 15.378 5.520 -18.380 1.00 12.31 C ATOM 1851 ND1 HIS A 117 15.437 6.884 -18.183 1.00 62.13 N ATOM 1852 CD2 HIS A 117 14.353 5.076 -17.615 1.00 64.31 C ATOM 1853 CE1 HIS A 117 14.491 7.246 -17.336 1.00 31.25 C ATOM 1854 NE2 HIS A 117 13.819 6.167 -16.976 1.00 13.20 N ATOM 0 H HIS A 117 14.230 3.701 -20.748 1.00 71.11 H new ATOM 0 HA HIS A 117 16.169 5.912 -21.110 1.00 12.25 H new ATOM 0 HB2 HIS A 117 16.326 3.731 -19.006 1.00 64.33 H new ATOM 0 HB3 HIS A 117 17.325 5.165 -19.139 1.00 64.33 H new ATOM 0 HD2 HIS A 117 14.018 4.053 -17.524 1.00 64.31 H new ATOM 0 HE1 HIS A 117 14.299 8.253 -16.995 1.00 31.25 H new ATOM 0 HE2 HIS A 117 13.031 6.148 -16.328 1.00 13.20 H new ATOM 1862 N GLY A 118 16.209 2.760 -21.882 1.00 0.40 N ATOM 1863 CA GLY A 118 16.915 1.757 -22.657 1.00 3.11 C ATOM 1864 C GLY A 118 17.253 0.525 -21.840 1.00 53.35 C ATOM 1865 O GLY A 118 18.090 -0.283 -22.242 1.00 70.31 O ATOM 0 H GLY A 118 15.266 2.496 -21.597 1.00 0.40 H new ATOM 0 HA2 GLY A 118 16.304 1.466 -23.512 1.00 3.11 H new ATOM 0 HA3 GLY A 118 17.834 2.189 -23.054 1.00 3.11 H new ATOM 1869 N ILE A 119 16.601 0.383 -20.691 1.00 64.42 N ATOM 1870 CA ILE A 119 16.838 -0.759 -19.816 1.00 73.15 C ATOM 1871 C ILE A 119 16.705 -2.073 -20.579 1.00 54.22 C ATOM 1872 O ILE A 119 15.618 -2.432 -21.032 1.00 22.11 O ATOM 1873 CB ILE A 119 15.860 -0.768 -18.626 1.00 64.22 C ATOM 1874 CG1 ILE A 119 16.009 0.515 -17.806 1.00 61.03 C ATOM 1875 CG2 ILE A 119 16.100 -1.991 -17.754 1.00 33.42 C ATOM 1876 CD1 ILE A 119 17.389 0.698 -17.215 1.00 64.30 C ATOM 0 H ILE A 119 15.905 1.044 -20.344 1.00 64.42 H new ATOM 0 HA ILE A 119 17.856 -0.662 -19.439 1.00 73.15 H new ATOM 0 HB ILE A 119 14.841 -0.814 -19.011 1.00 64.22 H new ATOM 0 HG12 ILE A 119 15.778 1.371 -18.440 1.00 61.03 H new ATOM 0 HG13 ILE A 119 15.275 0.509 -17.000 1.00 61.03 H new ATOM 0 HG21 ILE A 119 15.402 -1.984 -16.917 1.00 33.42 H new ATOM 0 HG22 ILE A 119 15.949 -2.894 -18.345 1.00 33.42 H new ATOM 0 HG23 ILE A 119 17.122 -1.972 -17.374 1.00 33.42 H new ATOM 0 HD11 ILE A 119 17.421 1.628 -16.647 1.00 64.30 H new ATOM 0 HD12 ILE A 119 17.616 -0.139 -16.554 1.00 64.30 H new ATOM 0 HD13 ILE A 119 18.126 0.737 -18.017 1.00 64.30 H new ATOM 1888 N ALA A 120 17.817 -2.787 -20.716 1.00 3.31 N ATOM 1889 CA ALA A 120 17.824 -4.063 -21.420 1.00 44.22 C ATOM 1890 C ALA A 120 16.803 -5.025 -20.823 1.00 25.22 C ATOM 1891 O ALA A 120 17.085 -5.713 -19.841 1.00 1.14 O ATOM 1892 CB ALA A 120 19.216 -4.677 -21.385 1.00 32.43 C ATOM 0 H ALA A 120 18.725 -2.503 -20.348 1.00 3.31 H new ATOM 0 HA ALA A 120 17.546 -3.879 -22.458 1.00 44.22 H new ATOM 0 HB1 ALA A 120 19.207 -5.630 -21.914 1.00 32.43 H new ATOM 0 HB2 ALA A 120 19.924 -4.002 -21.866 1.00 32.43 H new ATOM 0 HB3 ALA A 120 19.516 -4.840 -20.350 1.00 32.43 H new TER 1898 ALA A 120