USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ 179:sc= 2.07 (180deg=1.1) USER MOD Set 1.2: A 82 THR OG1 : rot -106:sc= 2.05 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -6.97! K(o=-5.7!,f=-1.1) USER MOD Set 2.2: A 92 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.11) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0448 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.63) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.39) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 33 HIS : no HE2:sc= -0.0434 K(o=-0.043,f=-0.92) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.399 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0225 (180deg=-0.225) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.207 K(o=-0.21,f=-0.76) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 72 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-0.86) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 0.913 (180deg=0.679) USER MOD Single : A 74 GLN : amide:sc= -0.0326 K(o=-0.033,f=-6!) USER MOD Single : A 78 THR OG1 : rot 69:sc= 1.31 USER MOD Single : A 81 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.1!) USER MOD Single : A 84 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.3) USER MOD Single : A 87 HIS : no HD1:sc= 0.742 K(o=0.74,f=-5!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.649 -2.589 -14.744 1.00 13.42 N ATOM 2 CA GLY A 1 -14.278 -2.690 -13.337 1.00 31.13 C ATOM 3 C GLY A 1 -13.272 -3.787 -13.228 1.00 32.43 C ATOM 4 O GLY A 1 -13.437 -4.860 -13.829 1.00 34.44 O ATOM 0 H1 GLY A 1 -15.659 -2.353 -14.821 1.00 13.42 H new ATOM 0 H2 GLY A 1 -14.084 -1.844 -15.199 1.00 13.42 H new ATOM 0 H3 GLY A 1 -14.469 -3.498 -15.217 1.00 13.42 H new ATOM 0 HA2 GLY A 1 -13.862 -1.748 -12.980 1.00 31.13 H new ATOM 0 HA3 GLY A 1 -15.152 -2.906 -12.722 1.00 31.13 H new ATOM 10 N PRO A 2 -12.161 -3.508 -12.524 1.00 53.44 N ATOM 11 CA PRO A 2 -11.009 -4.393 -12.503 1.00 31.40 C ATOM 12 C PRO A 2 -11.356 -5.613 -11.710 1.00 22.42 C ATOM 13 O PRO A 2 -12.360 -5.600 -10.971 1.00 11.03 O ATOM 14 CB PRO A 2 -9.911 -3.565 -11.808 1.00 23.33 C ATOM 15 CG PRO A 2 -10.683 -2.582 -10.904 1.00 22.22 C ATOM 16 CD PRO A 2 -11.971 -2.307 -11.695 1.00 15.15 C ATOM 0 HA PRO A 2 -10.690 -4.731 -13.489 1.00 31.40 H new ATOM 0 HB2 PRO A 2 -9.244 -4.200 -11.225 1.00 23.33 H new ATOM 0 HB3 PRO A 2 -9.294 -3.036 -12.534 1.00 23.33 H new ATOM 0 HG2 PRO A 2 -10.896 -3.017 -9.928 1.00 22.22 H new ATOM 0 HG3 PRO A 2 -10.116 -1.668 -10.729 1.00 22.22 H new ATOM 0 HD2 PRO A 2 -12.819 -2.147 -11.029 1.00 15.15 H new ATOM 0 HD3 PRO A 2 -11.875 -1.412 -12.310 1.00 15.15 H new ATOM 24 N LYS A 3 -10.560 -6.667 -11.863 1.00 32.11 N ATOM 25 CA LYS A 3 -10.782 -7.892 -11.156 1.00 50.14 C ATOM 26 C LYS A 3 -9.574 -8.056 -10.274 1.00 35.42 C ATOM 27 O LYS A 3 -8.546 -7.395 -10.485 1.00 11.54 O ATOM 28 CB LYS A 3 -10.884 -9.106 -12.107 1.00 74.00 C ATOM 29 CG LYS A 3 -11.974 -8.928 -13.170 1.00 54.20 C ATOM 30 CD LYS A 3 -12.069 -10.085 -14.165 1.00 14.25 C ATOM 31 CE LYS A 3 -13.089 -9.802 -15.284 1.00 24.52 C ATOM 32 NZ LYS A 3 -13.146 -10.900 -16.256 1.00 61.41 N ATOM 0 H LYS A 3 -9.749 -6.681 -12.482 1.00 32.11 H new ATOM 0 HA LYS A 3 -11.722 -7.851 -10.605 1.00 50.14 H new ATOM 0 HB2 LYS A 3 -9.923 -9.260 -12.598 1.00 74.00 H new ATOM 0 HB3 LYS A 3 -11.092 -10.004 -11.524 1.00 74.00 H new ATOM 0 HG2 LYS A 3 -12.937 -8.811 -12.672 1.00 54.20 H new ATOM 0 HG3 LYS A 3 -11.784 -8.005 -13.719 1.00 54.20 H new ATOM 0 HD2 LYS A 3 -11.088 -10.266 -14.606 1.00 14.25 H new ATOM 0 HD3 LYS A 3 -12.354 -10.995 -13.637 1.00 14.25 H new ATOM 0 HE2 LYS A 3 -14.076 -9.651 -14.847 1.00 24.52 H new ATOM 0 HE3 LYS A 3 -12.822 -8.877 -15.795 1.00 24.52 H new ATOM 0 HZ1 LYS A 3 -13.843 -10.674 -16.994 1.00 61.41 H new ATOM 0 HZ2 LYS A 3 -12.210 -11.028 -16.691 1.00 61.41 H new ATOM 0 HZ3 LYS A 3 -13.426 -11.777 -15.773 1.00 61.41 H new ATOM 46 N PRO A 4 -9.685 -8.918 -9.246 1.00 5.22 N ATOM 47 CA PRO A 4 -8.608 -9.160 -8.301 1.00 72.33 C ATOM 48 C PRO A 4 -7.415 -9.667 -9.045 1.00 64.02 C ATOM 49 O PRO A 4 -7.578 -10.559 -9.886 1.00 63.14 O ATOM 50 CB PRO A 4 -9.171 -10.192 -7.316 1.00 72.33 C ATOM 51 CG PRO A 4 -10.687 -9.974 -7.411 1.00 33.23 C ATOM 52 CD PRO A 4 -10.888 -9.664 -8.899 1.00 13.41 C ATOM 0 HA PRO A 4 -8.281 -8.268 -7.767 1.00 72.33 H new ATOM 0 HB2 PRO A 4 -8.892 -11.208 -7.594 1.00 72.33 H new ATOM 0 HB3 PRO A 4 -8.803 -10.026 -6.304 1.00 72.33 H new ATOM 0 HG2 PRO A 4 -11.244 -10.859 -7.103 1.00 33.23 H new ATOM 0 HG3 PRO A 4 -11.019 -9.152 -6.777 1.00 33.23 H new ATOM 0 HD2 PRO A 4 -10.983 -10.574 -9.491 1.00 13.41 H new ATOM 0 HD3 PRO A 4 -11.790 -9.077 -9.070 1.00 13.41 H new ATOM 60 N GLY A 5 -6.233 -9.103 -8.792 1.00 62.00 N ATOM 61 CA GLY A 5 -5.056 -9.546 -9.483 1.00 0.10 C ATOM 62 C GLY A 5 -4.607 -8.456 -10.392 1.00 62.40 C ATOM 63 O GLY A 5 -3.449 -8.418 -10.778 1.00 32.44 O ATOM 0 H GLY A 5 -6.082 -8.350 -8.121 1.00 62.00 H new ATOM 0 HA2 GLY A 5 -4.269 -9.794 -8.771 1.00 0.10 H new ATOM 0 HA3 GLY A 5 -5.268 -10.451 -10.052 1.00 0.10 H new ATOM 67 N ASP A 6 -5.517 -7.521 -10.777 1.00 2.45 N ATOM 68 CA ASP A 6 -5.124 -6.472 -11.716 1.00 33.20 C ATOM 69 C ASP A 6 -4.244 -5.518 -10.972 1.00 0.22 C ATOM 70 O ASP A 6 -4.555 -5.104 -9.854 1.00 20.40 O ATOM 71 CB ASP A 6 -6.310 -5.676 -12.329 1.00 65.04 C ATOM 72 CG ASP A 6 -5.795 -4.718 -13.405 1.00 42.10 C ATOM 73 OD1 ASP A 6 -5.080 -5.173 -14.326 1.00 65.50 O ATOM 74 OD2 ASP A 6 -6.118 -3.509 -13.347 1.00 33.35 O ATOM 0 H ASP A 6 -6.485 -7.482 -10.459 1.00 2.45 H new ATOM 0 HA ASP A 6 -4.625 -6.958 -12.554 1.00 33.20 H new ATOM 0 HB2 ASP A 6 -7.037 -6.364 -12.761 1.00 65.04 H new ATOM 0 HB3 ASP A 6 -6.826 -5.116 -11.548 1.00 65.04 H new ATOM 79 N ILE A 7 -3.109 -5.190 -11.564 1.00 2.21 N ATOM 80 CA ILE A 7 -2.167 -4.350 -10.979 1.00 53.22 C ATOM 81 C ILE A 7 -2.436 -2.976 -11.484 1.00 40.41 C ATOM 82 O ILE A 7 -2.696 -2.785 -12.674 1.00 51.53 O ATOM 83 CB ILE A 7 -0.804 -4.770 -11.415 1.00 34.13 C ATOM 84 CG1 ILE A 7 -0.705 -6.308 -11.205 1.00 14.02 C ATOM 85 CG2 ILE A 7 0.246 -3.917 -10.669 1.00 11.52 C ATOM 86 CD1 ILE A 7 0.682 -6.831 -11.225 1.00 21.02 C ATOM 0 H ILE A 7 -2.842 -5.527 -12.489 1.00 2.21 H new ATOM 0 HA ILE A 7 -2.225 -4.389 -9.891 1.00 53.22 H new ATOM 0 HB ILE A 7 -0.606 -4.590 -12.472 1.00 34.13 H new ATOM 0 HG12 ILE A 7 -1.165 -6.565 -10.251 1.00 14.02 H new ATOM 0 HG13 ILE A 7 -1.282 -6.808 -11.982 1.00 14.02 H new ATOM 0 HG21 ILE A 7 1.246 -4.217 -10.981 1.00 11.52 H new ATOM 0 HG22 ILE A 7 0.093 -2.864 -10.904 1.00 11.52 H new ATOM 0 HG23 ILE A 7 0.141 -4.068 -9.595 1.00 11.52 H new ATOM 0 HD11 ILE A 7 0.666 -7.910 -11.072 1.00 21.02 H new ATOM 0 HD12 ILE A 7 1.141 -6.608 -12.188 1.00 21.02 H new ATOM 0 HD13 ILE A 7 1.260 -6.360 -10.430 1.00 21.02 H new ATOM 98 N PHE A 8 -2.398 -1.988 -10.591 1.00 73.24 N ATOM 99 CA PHE A 8 -2.533 -0.631 -11.013 1.00 31.02 C ATOM 100 C PHE A 8 -1.596 0.177 -10.194 1.00 53.41 C ATOM 101 O PHE A 8 -1.202 -0.218 -9.096 1.00 62.43 O ATOM 102 CB PHE A 8 -3.985 -0.014 -10.947 1.00 5.54 C ATOM 103 CG PHE A 8 -4.584 -0.065 -9.545 1.00 14.33 C ATOM 104 CD1 PHE A 8 -4.799 -1.297 -8.869 1.00 65.41 C ATOM 105 CD2 PHE A 8 -5.000 1.136 -8.901 1.00 21.03 C ATOM 106 CE1 PHE A 8 -5.388 -1.320 -7.599 1.00 22.42 C ATOM 107 CE2 PHE A 8 -5.611 1.093 -7.635 1.00 62.40 C ATOM 108 CZ PHE A 8 -5.794 -0.132 -6.982 1.00 2.13 C ATOM 0 H PHE A 8 -2.276 -2.118 -9.587 1.00 73.24 H new ATOM 0 HA PHE A 8 -2.301 -0.613 -12.078 1.00 31.02 H new ATOM 0 HB2 PHE A 8 -3.951 1.022 -11.285 1.00 5.54 H new ATOM 0 HB3 PHE A 8 -4.636 -0.553 -11.635 1.00 5.54 H new ATOM 0 HD1 PHE A 8 -4.505 -2.224 -9.339 1.00 65.41 H new ATOM 0 HD2 PHE A 8 -4.845 2.087 -9.389 1.00 21.03 H new ATOM 0 HE1 PHE A 8 -5.530 -2.263 -7.092 1.00 22.42 H new ATOM 0 HE2 PHE A 8 -5.940 2.008 -7.165 1.00 62.40 H new ATOM 0 HZ PHE A 8 -6.248 -0.160 -6.003 1.00 2.13 H new ATOM 118 N GLU A 9 -1.190 1.315 -10.751 1.00 51.12 N ATOM 119 CA GLU A 9 -0.334 2.222 -10.059 1.00 24.11 C ATOM 120 C GLU A 9 -1.203 3.343 -9.634 1.00 12.35 C ATOM 121 O GLU A 9 -2.176 3.671 -10.332 1.00 73.14 O ATOM 122 CB GLU A 9 0.763 2.820 -10.961 1.00 15.41 C ATOM 123 CG GLU A 9 1.654 1.758 -11.627 1.00 32.40 C ATOM 124 CD GLU A 9 2.760 2.457 -12.377 1.00 42.22 C ATOM 125 OE1 GLU A 9 2.684 3.695 -12.554 1.00 63.23 O ATOM 126 OE2 GLU A 9 3.715 1.793 -12.779 1.00 41.44 O ATOM 0 H GLU A 9 -1.453 1.616 -11.689 1.00 51.12 H new ATOM 0 HA GLU A 9 0.160 1.693 -9.244 1.00 24.11 H new ATOM 0 HB2 GLU A 9 0.295 3.428 -11.735 1.00 15.41 H new ATOM 0 HB3 GLU A 9 1.388 3.487 -10.367 1.00 15.41 H new ATOM 0 HG2 GLU A 9 2.072 1.089 -10.874 1.00 32.40 H new ATOM 0 HG3 GLU A 9 1.065 1.144 -12.308 1.00 32.40 H new ATOM 133 N VAL A 10 -0.886 3.975 -8.500 1.00 31.13 N ATOM 134 CA VAL A 10 -1.605 5.142 -8.106 1.00 1.35 C ATOM 135 C VAL A 10 -0.598 6.104 -7.594 1.00 54.13 C ATOM 136 O VAL A 10 0.457 5.711 -7.065 1.00 31.04 O ATOM 137 CB VAL A 10 -2.640 4.906 -7.006 1.00 12.43 C ATOM 138 CG1 VAL A 10 -3.771 4.063 -7.590 1.00 34.32 C ATOM 139 CG2 VAL A 10 -1.967 4.231 -5.794 1.00 21.12 C ATOM 0 H VAL A 10 -0.144 3.687 -7.862 1.00 31.13 H new ATOM 0 HA VAL A 10 -2.161 5.499 -8.973 1.00 1.35 H new ATOM 0 HB VAL A 10 -3.060 5.847 -6.650 1.00 12.43 H new ATOM 0 HG11 VAL A 10 -4.523 3.881 -6.822 1.00 34.32 H new ATOM 0 HG12 VAL A 10 -4.227 4.594 -8.426 1.00 34.32 H new ATOM 0 HG13 VAL A 10 -3.372 3.111 -7.940 1.00 34.32 H new ATOM 0 HG21 VAL A 10 -2.708 4.065 -5.012 1.00 21.12 H new ATOM 0 HG22 VAL A 10 -1.541 3.275 -6.100 1.00 21.12 H new ATOM 0 HG23 VAL A 10 -1.175 4.875 -5.412 1.00 21.12 H new ATOM 149 N GLU A 11 -0.913 7.386 -7.739 1.00 40.33 N ATOM 150 CA GLU A 11 -0.228 8.401 -7.020 1.00 64.44 C ATOM 151 C GLU A 11 -1.202 8.848 -5.978 1.00 13.32 C ATOM 152 O GLU A 11 -2.357 9.167 -6.296 1.00 54.22 O ATOM 153 CB GLU A 11 0.210 9.603 -7.879 1.00 40.42 C ATOM 154 CG GLU A 11 -0.889 10.197 -8.767 1.00 11.53 C ATOM 155 CD GLU A 11 -0.284 11.340 -9.524 1.00 2.41 C ATOM 156 OE1 GLU A 11 0.753 11.137 -10.175 1.00 21.52 O ATOM 157 OE2 GLU A 11 -0.828 12.462 -9.449 1.00 60.14 O ATOM 0 H GLU A 11 -1.648 7.728 -8.358 1.00 40.33 H new ATOM 0 HA GLU A 11 0.703 8.002 -6.618 1.00 64.44 H new ATOM 0 HB2 GLU A 11 0.586 10.385 -7.219 1.00 40.42 H new ATOM 0 HB3 GLU A 11 1.041 9.294 -8.513 1.00 40.42 H new ATOM 0 HG2 GLU A 11 -1.277 9.444 -9.453 1.00 11.53 H new ATOM 0 HG3 GLU A 11 -1.729 10.539 -8.162 1.00 11.53 H new ATOM 164 N LEU A 12 -0.792 8.809 -4.709 1.00 13.44 N ATOM 165 CA LEU A 12 -1.669 9.217 -3.643 1.00 24.31 C ATOM 166 C LEU A 12 -0.846 9.980 -2.690 1.00 3.22 C ATOM 167 O LEU A 12 0.300 9.638 -2.414 1.00 24.13 O ATOM 168 CB LEU A 12 -2.366 8.045 -2.907 1.00 61.21 C ATOM 169 CG LEU A 12 -3.472 7.418 -3.760 1.00 64.23 C ATOM 170 CD1 LEU A 12 -3.886 6.077 -3.248 1.00 55.24 C ATOM 171 CD2 LEU A 12 -4.676 8.348 -3.926 1.00 64.04 C ATOM 0 H LEU A 12 0.133 8.501 -4.410 1.00 13.44 H new ATOM 0 HA LEU A 12 -2.479 9.805 -4.074 1.00 24.31 H new ATOM 0 HB2 LEU A 12 -1.628 7.285 -2.652 1.00 61.21 H new ATOM 0 HB3 LEU A 12 -2.789 8.405 -1.969 1.00 61.21 H new ATOM 0 HG LEU A 12 -3.044 7.268 -4.751 1.00 64.23 H new ATOM 0 HD11 LEU A 12 -4.672 5.671 -3.885 1.00 55.24 H new ATOM 0 HD12 LEU A 12 -3.029 5.404 -3.257 1.00 55.24 H new ATOM 0 HD13 LEU A 12 -4.259 6.176 -2.229 1.00 55.24 H new ATOM 0 HD21 LEU A 12 -5.433 7.858 -4.539 1.00 64.04 H new ATOM 0 HD22 LEU A 12 -5.095 8.579 -2.947 1.00 64.04 H new ATOM 0 HD23 LEU A 12 -4.359 9.271 -4.411 1.00 64.04 H new ATOM 183 N ALA A 13 -1.411 11.085 -2.213 1.00 23.10 N ATOM 184 CA ALA A 13 -0.697 11.980 -1.357 1.00 55.51 C ATOM 185 C ALA A 13 -0.913 11.496 0.030 1.00 12.23 C ATOM 186 O ALA A 13 -1.835 10.752 0.293 1.00 11.31 O ATOM 187 CB ALA A 13 -1.213 13.435 -1.429 1.00 11.33 C ATOM 0 H ALA A 13 -2.369 11.369 -2.416 1.00 23.10 H new ATOM 0 HA ALA A 13 0.348 11.991 -1.665 1.00 55.51 H new ATOM 0 HB1 ALA A 13 -0.629 14.062 -0.756 1.00 11.33 H new ATOM 0 HB2 ALA A 13 -1.113 13.806 -2.449 1.00 11.33 H new ATOM 0 HB3 ALA A 13 -2.262 13.464 -1.133 1.00 11.33 H new ATOM 193 N LYS A 14 -0.054 11.922 0.954 1.00 44.43 N ATOM 194 CA LYS A 14 -0.323 11.697 2.377 1.00 4.41 C ATOM 195 C LYS A 14 -1.435 12.639 2.740 1.00 22.52 C ATOM 196 O LYS A 14 -2.387 12.263 3.399 1.00 2.31 O ATOM 197 CB LYS A 14 0.891 12.019 3.305 1.00 42.52 C ATOM 198 CG LYS A 14 1.884 10.846 3.495 1.00 12.12 C ATOM 199 CD LYS A 14 2.455 10.263 2.200 1.00 22.00 C ATOM 200 CE LYS A 14 3.283 11.259 1.380 1.00 24.21 C ATOM 201 NZ LYS A 14 4.517 11.618 2.074 1.00 20.53 N ATOM 0 H LYS A 14 0.816 12.414 0.752 1.00 44.43 H new ATOM 0 HA LYS A 14 -0.559 10.643 2.521 1.00 4.41 H new ATOM 0 HB2 LYS A 14 1.431 12.872 2.893 1.00 42.52 H new ATOM 0 HB3 LYS A 14 0.515 12.322 4.282 1.00 42.52 H new ATOM 0 HG2 LYS A 14 2.711 11.188 4.117 1.00 12.12 H new ATOM 0 HG3 LYS A 14 1.381 10.049 4.043 1.00 12.12 H new ATOM 0 HD2 LYS A 14 3.078 9.403 2.445 1.00 22.00 H new ATOM 0 HD3 LYS A 14 1.633 9.897 1.585 1.00 22.00 H new ATOM 0 HE2 LYS A 14 3.522 10.825 0.409 1.00 24.21 H new ATOM 0 HE3 LYS A 14 2.694 12.157 1.191 1.00 24.21 H new ATOM 0 HZ1 LYS A 14 5.065 12.280 1.488 1.00 20.53 H new ATOM 0 HZ2 LYS A 14 4.286 12.069 2.982 1.00 20.53 H new ATOM 0 HZ3 LYS A 14 5.080 10.761 2.247 1.00 20.53 H new ATOM 215 N ASN A 15 -1.310 13.883 2.250 1.00 62.23 N ATOM 216 CA ASN A 15 -2.200 14.995 2.585 1.00 22.20 C ATOM 217 C ASN A 15 -1.958 15.404 4.026 1.00 25.11 C ATOM 218 O ASN A 15 -2.140 14.628 4.953 1.00 52.32 O ATOM 219 CB ASN A 15 -3.726 14.770 2.323 1.00 3.32 C ATOM 220 CG ASN A 15 -4.493 16.079 2.581 1.00 32.20 C ATOM 221 OD1 ASN A 15 -5.396 16.127 3.410 1.00 12.00 O ATOM 222 ND2 ASN A 15 -4.133 17.160 1.863 1.00 31.22 N ATOM 0 H ASN A 15 -0.571 14.144 1.597 1.00 62.23 H new ATOM 0 HA ASN A 15 -1.939 15.792 1.889 1.00 22.20 H new ATOM 0 HB2 ASN A 15 -3.884 14.440 1.296 1.00 3.32 H new ATOM 0 HB3 ASN A 15 -4.104 13.981 2.973 1.00 3.32 H new ATOM 0 HD21 ASN A 15 -4.615 18.048 2.002 1.00 31.22 H new ATOM 0 HD22 ASN A 15 -3.378 17.091 1.180 1.00 31.22 H new ATOM 229 N ASP A 16 -1.500 16.662 4.211 1.00 45.43 N ATOM 230 CA ASP A 16 -1.173 17.217 5.531 1.00 44.12 C ATOM 231 C ASP A 16 -0.097 16.365 6.172 1.00 25.01 C ATOM 232 O ASP A 16 -0.073 16.154 7.383 1.00 44.40 O ATOM 233 CB ASP A 16 -2.387 17.410 6.483 1.00 14.11 C ATOM 234 CG ASP A 16 -1.961 18.269 7.661 1.00 50.00 C ATOM 235 OD1 ASP A 16 -1.300 19.309 7.440 1.00 4.34 O ATOM 236 OD2 ASP A 16 -2.291 17.912 8.818 1.00 1.03 O ATOM 0 H ASP A 16 -1.349 17.317 3.444 1.00 45.43 H new ATOM 0 HA ASP A 16 -0.809 18.230 5.361 1.00 44.12 H new ATOM 0 HB2 ASP A 16 -3.211 17.884 5.950 1.00 14.11 H new ATOM 0 HB3 ASP A 16 -2.748 16.443 6.833 1.00 14.11 H new ATOM 241 N ASN A 17 0.834 15.906 5.306 1.00 21.41 N ATOM 242 CA ASN A 17 2.033 15.103 5.651 1.00 40.14 C ATOM 243 C ASN A 17 1.728 13.803 6.438 1.00 52.12 C ATOM 244 O ASN A 17 2.621 12.980 6.622 1.00 70.50 O ATOM 245 CB ASN A 17 3.131 15.931 6.396 1.00 63.55 C ATOM 246 CG ASN A 17 4.463 15.164 6.377 1.00 43.21 C ATOM 247 OD1 ASN A 17 4.897 14.666 5.326 1.00 63.33 O ATOM 248 ND2 ASN A 17 5.133 15.059 7.539 1.00 43.34 N ATOM 0 H ASN A 17 0.770 16.092 4.305 1.00 21.41 H new ATOM 0 HA ASN A 17 2.425 14.803 4.679 1.00 40.14 H new ATOM 0 HB2 ASN A 17 3.254 16.903 5.918 1.00 63.55 H new ATOM 0 HB3 ASN A 17 2.823 16.118 7.425 1.00 63.55 H new ATOM 0 HD21 ASN A 17 6.022 14.560 7.572 1.00 43.34 H new ATOM 0 HD22 ASN A 17 4.752 15.478 8.387 1.00 43.34 H new ATOM 255 N SER A 18 0.498 13.583 6.904 1.00 63.32 N ATOM 256 CA SER A 18 0.224 12.439 7.717 1.00 31.20 C ATOM 257 C SER A 18 -0.257 11.339 6.846 1.00 4.24 C ATOM 258 O SER A 18 -1.083 11.532 5.977 1.00 61.42 O ATOM 259 CB SER A 18 -0.842 12.685 8.787 1.00 5.34 C ATOM 260 OG SER A 18 -0.374 13.651 9.736 1.00 14.13 O ATOM 0 H SER A 18 -0.305 14.186 6.725 1.00 63.32 H new ATOM 0 HA SER A 18 1.154 12.193 8.229 1.00 31.20 H new ATOM 0 HB2 SER A 18 -1.762 13.038 8.321 1.00 5.34 H new ATOM 0 HB3 SER A 18 -1.081 11.751 9.295 1.00 5.34 H new ATOM 0 HG SER A 18 -1.064 13.803 10.415 1.00 14.13 H new ATOM 266 N LEU A 19 0.252 10.140 7.102 1.00 43.35 N ATOM 267 CA LEU A 19 -0.217 8.959 6.454 1.00 13.34 C ATOM 268 C LEU A 19 -1.213 8.407 7.448 1.00 71.44 C ATOM 269 O LEU A 19 -1.622 9.126 8.378 1.00 32.53 O ATOM 270 CB LEU A 19 0.970 7.963 6.228 1.00 42.05 C ATOM 271 CG LEU A 19 0.828 6.890 5.117 1.00 4.03 C ATOM 272 CD1 LEU A 19 0.708 5.461 5.665 1.00 72.14 C ATOM 273 CD2 LEU A 19 -0.192 7.240 4.015 1.00 50.05 C ATOM 0 H LEU A 19 1.005 9.977 7.771 1.00 43.35 H new ATOM 0 HA LEU A 19 -0.652 9.135 5.470 1.00 13.34 H new ATOM 0 HB2 LEU A 19 1.861 8.552 6.010 1.00 42.05 H new ATOM 0 HB3 LEU A 19 1.153 7.445 7.169 1.00 42.05 H new ATOM 0 HG LEU A 19 1.782 6.908 4.589 1.00 4.03 H new ATOM 0 HD11 LEU A 19 0.612 4.760 4.836 1.00 72.14 H new ATOM 0 HD12 LEU A 19 1.599 5.217 6.244 1.00 72.14 H new ATOM 0 HD13 LEU A 19 -0.172 5.389 6.305 1.00 72.14 H new ATOM 0 HD21 LEU A 19 -0.226 6.435 3.281 1.00 50.05 H new ATOM 0 HD22 LEU A 19 -1.179 7.367 4.460 1.00 50.05 H new ATOM 0 HD23 LEU A 19 0.107 8.166 3.524 1.00 50.05 H new ATOM 285 N GLY A 20 -1.637 7.159 7.326 1.00 61.42 N ATOM 286 CA GLY A 20 -2.531 6.659 8.347 1.00 23.12 C ATOM 287 C GLY A 20 -3.213 5.436 7.878 1.00 25.35 C ATOM 288 O GLY A 20 -4.278 5.109 8.373 1.00 63.25 O ATOM 0 H GLY A 20 -1.393 6.511 6.577 1.00 61.42 H new ATOM 0 HA2 GLY A 20 -1.971 6.445 9.257 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -3.269 7.421 8.599 1.00 23.12 H new ATOM 292 N ILE A 21 -2.635 4.706 6.911 1.00 62.13 N ATOM 293 CA ILE A 21 -3.282 3.499 6.455 1.00 20.21 C ATOM 294 C ILE A 21 -2.767 2.416 7.392 1.00 12.23 C ATOM 295 O ILE A 21 -1.906 2.699 8.238 1.00 41.43 O ATOM 296 CB ILE A 21 -3.002 3.129 4.973 1.00 3.20 C ATOM 297 CG1 ILE A 21 -2.381 4.305 4.157 1.00 43.13 C ATOM 298 CG2 ILE A 21 -4.321 2.666 4.349 1.00 64.03 C ATOM 299 CD1 ILE A 21 -3.288 5.538 3.997 1.00 41.31 C ATOM 0 H ILE A 21 -1.752 4.932 6.453 1.00 62.13 H new ATOM 0 HA ILE A 21 -4.364 3.626 6.480 1.00 20.21 H new ATOM 0 HB ILE A 21 -2.258 2.333 4.946 1.00 3.20 H new ATOM 0 HG12 ILE A 21 -1.455 4.615 4.642 1.00 43.13 H new ATOM 0 HG13 ILE A 21 -2.114 3.938 3.166 1.00 43.13 H new ATOM 0 HG21 ILE A 21 -4.156 2.399 3.305 1.00 64.03 H new ATOM 0 HG22 ILE A 21 -4.695 1.798 4.891 1.00 64.03 H new ATOM 0 HG23 ILE A 21 -5.053 3.472 4.406 1.00 64.03 H new ATOM 0 HD11 ILE A 21 -2.768 6.299 3.416 1.00 41.31 H new ATOM 0 HD12 ILE A 21 -4.204 5.251 3.481 1.00 41.31 H new ATOM 0 HD13 ILE A 21 -3.535 5.938 4.980 1.00 41.31 H new ATOM 311 N CYS A 22 -3.250 1.169 7.284 1.00 52.52 N ATOM 312 CA CYS A 22 -2.727 0.155 8.204 1.00 34.03 C ATOM 313 C CYS A 22 -2.537 -1.054 7.377 1.00 74.33 C ATOM 314 O CYS A 22 -2.980 -1.100 6.229 1.00 41.43 O ATOM 315 CB CYS A 22 -3.724 -0.202 9.364 1.00 20.14 C ATOM 316 SG CYS A 22 -4.407 1.301 10.181 1.00 44.23 S ATOM 0 H CYS A 22 -3.954 0.854 6.616 1.00 52.52 H new ATOM 0 HA CYS A 22 -1.818 0.528 8.677 1.00 34.03 H new ATOM 0 HB2 CYS A 22 -4.543 -0.801 8.966 1.00 20.14 H new ATOM 0 HB3 CYS A 22 -3.212 -0.815 10.105 1.00 20.14 H new ATOM 321 N VAL A 23 -1.703 -1.984 7.866 1.00 20.11 N ATOM 322 CA VAL A 23 -1.185 -3.002 7.003 1.00 63.04 C ATOM 323 C VAL A 23 -1.066 -4.274 7.782 1.00 13.50 C ATOM 324 O VAL A 23 -1.213 -4.294 9.001 1.00 14.52 O ATOM 325 CB VAL A 23 0.188 -2.655 6.430 1.00 53.31 C ATOM 326 CG1 VAL A 23 0.001 -1.616 5.293 1.00 74.41 C ATOM 327 CG2 VAL A 23 1.123 -2.164 7.572 1.00 71.35 C ATOM 0 H VAL A 23 -1.391 -2.035 8.836 1.00 20.11 H new ATOM 0 HA VAL A 23 -1.875 -3.101 6.165 1.00 63.04 H new ATOM 0 HB VAL A 23 0.671 -3.530 5.995 1.00 53.31 H new ATOM 0 HG11 VAL A 23 0.973 -1.357 4.873 1.00 74.41 H new ATOM 0 HG12 VAL A 23 -0.630 -2.041 4.512 1.00 74.41 H new ATOM 0 HG13 VAL A 23 -0.471 -0.719 5.694 1.00 74.41 H new ATOM 0 HG21 VAL A 23 2.102 -1.917 7.160 1.00 71.35 H new ATOM 0 HG22 VAL A 23 0.692 -1.279 8.040 1.00 71.35 H new ATOM 0 HG23 VAL A 23 1.231 -2.952 8.318 1.00 71.35 H new ATOM 337 N THR A 24 -0.804 -5.370 7.058 1.00 3.32 N ATOM 338 CA THR A 24 -0.598 -6.641 7.664 1.00 43.22 C ATOM 339 C THR A 24 0.132 -7.455 6.617 1.00 62.24 C ATOM 340 O THR A 24 0.182 -7.052 5.463 1.00 35.21 O ATOM 341 CB THR A 24 -1.915 -7.327 8.103 1.00 24.30 C ATOM 342 OG1 THR A 24 -1.695 -8.591 8.740 1.00 43.12 O ATOM 343 CG2 THR A 24 -2.883 -7.468 6.903 1.00 70.45 C ATOM 0 H THR A 24 -0.734 -5.374 6.040 1.00 3.32 H new ATOM 0 HA THR A 24 -0.029 -6.544 8.589 1.00 43.22 H new ATOM 0 HB THR A 24 -2.376 -6.681 8.850 1.00 24.30 H new ATOM 0 HG1 THR A 24 -2.556 -8.981 8.999 1.00 43.12 H new ATOM 0 HG21 THR A 24 -3.802 -7.952 7.232 1.00 70.45 H new ATOM 0 HG22 THR A 24 -3.116 -6.480 6.505 1.00 70.45 H new ATOM 0 HG23 THR A 24 -2.414 -8.071 6.126 1.00 70.45 H new ATOM 351 N GLY A 25 0.723 -8.603 7.018 1.00 5.53 N ATOM 352 CA GLY A 25 1.413 -9.476 6.082 1.00 51.53 C ATOM 353 C GLY A 25 2.816 -8.994 5.914 1.00 64.03 C ATOM 354 O GLY A 25 3.398 -8.411 6.831 1.00 2.32 O ATOM 0 H GLY A 25 0.728 -8.933 7.983 1.00 5.53 H new ATOM 0 HA2 GLY A 25 1.409 -10.502 6.450 1.00 51.53 H new ATOM 0 HA3 GLY A 25 0.898 -9.480 5.121 1.00 51.53 H new ATOM 358 N GLY A 26 3.391 -9.223 4.713 1.00 71.33 N ATOM 359 CA GLY A 26 4.691 -8.693 4.398 1.00 32.23 C ATOM 360 C GLY A 26 5.650 -9.802 4.247 1.00 5.43 C ATOM 361 O GLY A 26 6.060 -10.136 3.137 1.00 75.50 O ATOM 0 H GLY A 26 2.962 -9.769 3.966 1.00 71.33 H new ATOM 0 HA2 GLY A 26 4.645 -8.110 3.478 1.00 32.23 H new ATOM 0 HA3 GLY A 26 5.021 -8.017 5.187 1.00 32.23 H new ATOM 365 N VAL A 27 6.079 -10.388 5.389 1.00 0.22 N ATOM 366 CA VAL A 27 7.187 -11.341 5.409 1.00 12.53 C ATOM 367 C VAL A 27 6.755 -12.696 4.837 1.00 11.15 C ATOM 368 O VAL A 27 7.423 -13.689 5.040 1.00 41.04 O ATOM 369 CB VAL A 27 7.795 -11.553 6.799 1.00 42.20 C ATOM 370 CG1 VAL A 27 9.327 -11.682 6.628 1.00 62.52 C ATOM 371 CG2 VAL A 27 7.376 -10.391 7.728 1.00 44.44 C ATOM 0 H VAL A 27 5.666 -10.210 6.305 1.00 0.22 H new ATOM 0 HA VAL A 27 7.960 -10.896 4.783 1.00 12.53 H new ATOM 0 HB VAL A 27 7.430 -12.466 7.271 1.00 42.20 H new ATOM 0 HG11 VAL A 27 9.790 -11.834 7.603 1.00 62.52 H new ATOM 0 HG12 VAL A 27 9.551 -12.532 5.983 1.00 62.52 H new ATOM 0 HG13 VAL A 27 9.721 -10.771 6.177 1.00 62.52 H new ATOM 0 HG21 VAL A 27 7.809 -10.542 8.717 1.00 44.44 H new ATOM 0 HG22 VAL A 27 7.734 -9.448 7.315 1.00 44.44 H new ATOM 0 HG23 VAL A 27 6.289 -10.363 7.808 1.00 44.44 H new ATOM 381 N ASN A 28 5.610 -12.727 4.131 1.00 70.34 N ATOM 382 CA ASN A 28 5.065 -13.929 3.469 1.00 13.13 C ATOM 383 C ASN A 28 4.292 -14.718 4.492 1.00 42.33 C ATOM 384 O ASN A 28 3.798 -15.808 4.213 1.00 15.33 O ATOM 385 CB ASN A 28 6.132 -14.846 2.781 1.00 15.50 C ATOM 386 CG ASN A 28 5.464 -15.674 1.690 1.00 1.32 C ATOM 387 OD1 ASN A 28 5.085 -15.134 0.648 1.00 13.55 O ATOM 388 ND2 ASN A 28 5.332 -16.995 1.905 1.00 74.54 N ATOM 0 H ASN A 28 5.025 -11.901 4.001 1.00 70.34 H new ATOM 0 HA ASN A 28 4.430 -13.580 2.655 1.00 13.13 H new ATOM 0 HB2 ASN A 28 6.929 -14.237 2.354 1.00 15.50 H new ATOM 0 HB3 ASN A 28 6.593 -15.502 3.519 1.00 15.50 H new ATOM 0 HD21 ASN A 28 4.906 -17.588 1.193 1.00 74.54 H new ATOM 0 HD22 ASN A 28 5.658 -17.404 2.780 1.00 74.54 H new ATOM 395 N THR A 29 4.178 -14.128 5.693 1.00 62.23 N ATOM 396 CA THR A 29 3.324 -14.563 6.801 1.00 53.21 C ATOM 397 C THR A 29 1.861 -14.891 6.371 1.00 72.23 C ATOM 398 O THR A 29 1.549 -15.047 5.198 1.00 43.34 O ATOM 399 CB THR A 29 3.360 -13.574 7.965 1.00 71.34 C ATOM 400 OG1 THR A 29 3.021 -12.257 7.513 1.00 51.31 O ATOM 401 CG2 THR A 29 4.807 -13.554 8.502 1.00 21.43 C ATOM 0 H THR A 29 4.710 -13.289 5.926 1.00 62.23 H new ATOM 0 HA THR A 29 3.749 -15.505 7.148 1.00 53.21 H new ATOM 0 HB THR A 29 2.647 -13.874 8.733 1.00 71.34 H new ATOM 0 HG1 THR A 29 3.047 -11.635 8.270 1.00 51.31 H new ATOM 0 HG21 THR A 29 4.875 -12.857 9.337 1.00 21.43 H new ATOM 0 HG22 THR A 29 5.084 -14.553 8.839 1.00 21.43 H new ATOM 0 HG23 THR A 29 5.485 -13.238 7.709 1.00 21.43 H new ATOM 409 N SER A 30 0.977 -15.096 7.401 1.00 4.53 N ATOM 410 CA SER A 30 -0.366 -15.696 7.284 1.00 70.01 C ATOM 411 C SER A 30 -1.140 -15.236 6.060 1.00 2.34 C ATOM 412 O SER A 30 -1.861 -16.029 5.465 1.00 65.24 O ATOM 413 CB SER A 30 -1.221 -15.388 8.525 1.00 4.25 C ATOM 414 OG SER A 30 -0.484 -15.721 9.705 1.00 54.21 O ATOM 0 H SER A 30 1.202 -14.834 8.361 1.00 4.53 H new ATOM 0 HA SER A 30 -0.183 -16.766 7.189 1.00 70.01 H new ATOM 0 HB2 SER A 30 -1.494 -14.333 8.539 1.00 4.25 H new ATOM 0 HB3 SER A 30 -2.150 -15.957 8.490 1.00 4.25 H new ATOM 0 HG SER A 30 -1.027 -15.524 10.497 1.00 54.21 H new ATOM 420 N VAL A 31 -1.018 -13.953 5.677 1.00 51.20 N ATOM 421 CA VAL A 31 -1.797 -13.428 4.572 1.00 24.42 C ATOM 422 C VAL A 31 -1.533 -14.252 3.297 1.00 3.54 C ATOM 423 O VAL A 31 -0.394 -14.601 2.979 1.00 15.25 O ATOM 424 CB VAL A 31 -1.561 -11.969 4.307 1.00 15.00 C ATOM 425 CG1 VAL A 31 -2.047 -11.174 5.536 1.00 22.41 C ATOM 426 CG2 VAL A 31 -0.069 -11.750 4.001 1.00 70.10 C ATOM 0 H VAL A 31 -0.393 -13.278 6.117 1.00 51.20 H new ATOM 0 HA VAL A 31 -2.843 -13.519 4.865 1.00 24.42 H new ATOM 0 HB VAL A 31 -2.118 -11.617 3.439 1.00 15.00 H new ATOM 0 HG11 VAL A 31 -1.886 -10.109 5.368 1.00 22.41 H new ATOM 0 HG12 VAL A 31 -3.110 -11.360 5.693 1.00 22.41 H new ATOM 0 HG13 VAL A 31 -1.489 -11.490 6.418 1.00 22.41 H new ATOM 0 HG21 VAL A 31 0.111 -10.693 3.807 1.00 70.10 H new ATOM 0 HG22 VAL A 31 0.528 -12.069 4.855 1.00 70.10 H new ATOM 0 HG23 VAL A 31 0.212 -12.333 3.124 1.00 70.10 H new ATOM 436 N ARG A 32 -2.646 -14.635 2.628 1.00 44.54 N ATOM 437 CA ARG A 32 -2.653 -15.613 1.534 1.00 74.31 C ATOM 438 C ARG A 32 -1.531 -15.403 0.529 1.00 13.04 C ATOM 439 O ARG A 32 -0.687 -16.283 0.373 1.00 13.34 O ATOM 440 CB ARG A 32 -4.022 -15.743 0.804 1.00 42.40 C ATOM 441 CG ARG A 32 -4.593 -14.435 0.239 1.00 1.03 C ATOM 442 CD ARG A 32 -6.065 -14.553 -0.165 1.00 32.43 C ATOM 443 NE ARG A 32 -6.540 -13.187 -0.579 1.00 41.13 N ATOM 444 CZ ARG A 32 -6.941 -12.906 -1.876 1.00 44.24 C ATOM 445 NH1 ARG A 32 -6.806 -13.844 -2.873 1.00 61.02 N ATOM 446 NH2 ARG A 32 -7.474 -11.679 -2.165 1.00 74.15 N ATOM 0 H ARG A 32 -3.572 -14.264 2.842 1.00 44.54 H new ATOM 0 HA ARG A 32 -2.473 -16.562 2.040 1.00 74.31 H new ATOM 0 HB2 ARG A 32 -3.912 -16.455 -0.014 1.00 42.40 H new ATOM 0 HB3 ARG A 32 -4.747 -16.166 1.500 1.00 42.40 H new ATOM 0 HG2 ARG A 32 -4.488 -13.647 0.984 1.00 1.03 H new ATOM 0 HG3 ARG A 32 -4.006 -14.133 -0.629 1.00 1.03 H new ATOM 0 HD2 ARG A 32 -6.180 -15.262 -0.985 1.00 32.43 H new ATOM 0 HD3 ARG A 32 -6.660 -14.928 0.667 1.00 32.43 H new ATOM 0 HE ARG A 32 -6.568 -12.443 0.118 1.00 41.13 H new ATOM 0 HH11 ARG A 32 -6.407 -14.759 -2.662 1.00 61.02 H new ATOM 0 HH12 ARG A 32 -7.105 -13.625 -3.823 1.00 61.02 H new ATOM 0 HH21 ARG A 32 -7.573 -10.980 -1.429 1.00 74.15 H new ATOM 0 HH22 ARG A 32 -7.772 -11.464 -3.117 1.00 74.15 H new ATOM 460 N HIS A 33 -1.510 -14.258 -0.192 1.00 15.23 N ATOM 461 CA HIS A 33 -0.587 -14.119 -1.320 1.00 72.23 C ATOM 462 C HIS A 33 0.798 -13.829 -0.796 1.00 73.30 C ATOM 463 O HIS A 33 1.774 -14.075 -1.484 1.00 30.53 O ATOM 464 CB HIS A 33 -0.994 -13.014 -2.344 1.00 3.02 C ATOM 465 CG HIS A 33 -0.382 -13.178 -3.723 1.00 2.32 C ATOM 466 ND1 HIS A 33 0.949 -13.006 -3.975 1.00 41.24 N ATOM 467 CD2 HIS A 33 -0.971 -13.496 -4.900 1.00 35.41 C ATOM 468 CE1 HIS A 33 1.162 -13.225 -5.266 1.00 22.22 C ATOM 469 NE2 HIS A 33 0.007 -13.516 -5.848 1.00 62.42 N ATOM 0 H HIS A 33 -2.104 -13.448 -0.015 1.00 15.23 H new ATOM 0 HA HIS A 33 -0.618 -15.064 -1.862 1.00 72.23 H new ATOM 0 HB2 HIS A 33 -2.080 -13.008 -2.441 1.00 3.02 H new ATOM 0 HB3 HIS A 33 -0.704 -12.042 -1.945 1.00 3.02 H new ATOM 0 HD1 HIS A 33 1.659 -12.752 -3.288 1.00 41.24 H new ATOM 0 HD2 HIS A 33 -2.020 -13.696 -5.058 1.00 35.41 H new ATOM 0 HE1 HIS A 33 2.120 -13.174 -5.762 1.00 22.22 H new ATOM 478 N GLY A 34 0.931 -13.342 0.468 1.00 34.34 N ATOM 479 CA GLY A 34 2.260 -13.173 1.046 1.00 30.23 C ATOM 480 C GLY A 34 2.616 -11.712 1.094 1.00 32.14 C ATOM 481 O GLY A 34 3.584 -11.333 1.731 1.00 53.21 O ATOM 0 H GLY A 34 0.156 -13.073 1.074 1.00 34.34 H new ATOM 0 HA2 GLY A 34 2.286 -13.596 2.050 1.00 30.23 H new ATOM 0 HA3 GLY A 34 2.996 -13.716 0.453 1.00 30.23 H new ATOM 485 N GLY A 35 1.842 -10.866 0.403 1.00 24.34 N ATOM 486 CA GLY A 35 2.170 -9.442 0.277 1.00 13.20 C ATOM 487 C GLY A 35 1.815 -8.720 1.552 1.00 22.23 C ATOM 488 O GLY A 35 1.308 -9.307 2.491 1.00 64.02 O ATOM 0 H GLY A 35 0.985 -11.143 -0.077 1.00 24.34 H new ATOM 0 HA2 GLY A 35 3.232 -9.322 0.064 1.00 13.20 H new ATOM 0 HA3 GLY A 35 1.626 -9.007 -0.561 1.00 13.20 H new ATOM 492 N ILE A 36 2.070 -7.385 1.572 1.00 63.44 N ATOM 493 CA ILE A 36 1.592 -6.544 2.633 1.00 64.51 C ATOM 494 C ILE A 36 0.205 -6.181 2.148 1.00 23.12 C ATOM 495 O ILE A 36 0.057 -5.727 1.006 1.00 24.34 O ATOM 496 CB ILE A 36 2.385 -5.231 2.765 1.00 33.04 C ATOM 497 CG1 ILE A 36 3.848 -5.454 3.237 1.00 42.43 C ATOM 498 CG2 ILE A 36 1.617 -4.244 3.662 1.00 45.33 C ATOM 499 CD1 ILE A 36 4.081 -5.408 4.743 1.00 12.24 C ATOM 0 H ILE A 36 2.605 -6.896 0.854 1.00 63.44 H new ATOM 0 HA ILE A 36 1.660 -7.046 3.598 1.00 64.51 H new ATOM 0 HB ILE A 36 2.475 -4.791 1.772 1.00 33.04 H new ATOM 0 HG12 ILE A 36 4.184 -6.423 2.867 1.00 42.43 H new ATOM 0 HG13 ILE A 36 4.479 -4.698 2.769 1.00 42.43 H new ATOM 0 HG21 ILE A 36 2.183 -3.317 3.751 1.00 45.33 H new ATOM 0 HG22 ILE A 36 0.643 -4.033 3.220 1.00 45.33 H new ATOM 0 HG23 ILE A 36 1.480 -4.682 4.651 1.00 45.33 H new ATOM 0 HD11 ILE A 36 5.137 -5.576 4.953 1.00 12.24 H new ATOM 0 HD12 ILE A 36 3.786 -4.432 5.127 1.00 12.24 H new ATOM 0 HD13 ILE A 36 3.487 -6.183 5.227 1.00 12.24 H new ATOM 511 N TYR A 37 -0.836 -6.389 2.966 1.00 74.13 N ATOM 512 CA TYR A 37 -2.189 -6.084 2.542 1.00 22.21 C ATOM 513 C TYR A 37 -2.547 -4.845 3.241 1.00 61.24 C ATOM 514 O TYR A 37 -1.997 -4.547 4.304 1.00 2.12 O ATOM 515 CB TYR A 37 -3.254 -7.138 2.966 1.00 41.34 C ATOM 516 CG TYR A 37 -3.155 -8.331 2.066 1.00 31.12 C ATOM 517 CD1 TYR A 37 -2.026 -9.185 2.103 1.00 52.45 C ATOM 518 CD2 TYR A 37 -4.205 -8.629 1.167 1.00 25.11 C ATOM 519 CE1 TYR A 37 -1.952 -10.300 1.255 1.00 33.32 C ATOM 520 CE2 TYR A 37 -4.127 -9.742 0.321 1.00 61.43 C ATOM 521 CZ TYR A 37 -3.003 -10.579 0.370 1.00 15.43 C ATOM 522 OH TYR A 37 -2.929 -11.694 -0.460 1.00 21.41 O ATOM 0 H TYR A 37 -0.759 -6.763 3.912 1.00 74.13 H new ATOM 0 HA TYR A 37 -2.194 -6.040 1.453 1.00 22.21 H new ATOM 0 HB2 TYR A 37 -3.095 -7.436 4.002 1.00 41.34 H new ATOM 0 HB3 TYR A 37 -4.253 -6.706 2.908 1.00 41.34 H new ATOM 0 HD1 TYR A 37 -1.217 -8.977 2.788 1.00 52.45 H new ATOM 0 HD2 TYR A 37 -5.076 -7.992 1.133 1.00 25.11 H new ATOM 0 HE1 TYR A 37 -1.085 -10.944 1.284 1.00 33.32 H new ATOM 0 HE2 TYR A 37 -4.931 -9.955 -0.368 1.00 61.43 H new ATOM 0 HH TYR A 37 -3.738 -11.746 -1.011 1.00 21.41 H new ATOM 532 N VAL A 38 -3.500 -4.081 2.679 1.00 70.41 N ATOM 533 CA VAL A 38 -3.991 -2.933 3.355 1.00 13.31 C ATOM 534 C VAL A 38 -5.054 -3.443 4.310 1.00 43.24 C ATOM 535 O VAL A 38 -6.162 -3.801 3.914 1.00 5.24 O ATOM 536 CB VAL A 38 -4.583 -1.907 2.409 1.00 22.33 C ATOM 537 CG1 VAL A 38 -5.033 -0.688 3.221 1.00 4.13 C ATOM 538 CG2 VAL A 38 -3.504 -1.556 1.355 1.00 0.23 C ATOM 0 H VAL A 38 -3.923 -4.259 1.768 1.00 70.41 H new ATOM 0 HA VAL A 38 -3.177 -2.422 3.869 1.00 13.31 H new ATOM 0 HB VAL A 38 -5.460 -2.289 1.886 1.00 22.33 H new ATOM 0 HG11 VAL A 38 -5.461 0.058 2.551 1.00 4.13 H new ATOM 0 HG12 VAL A 38 -5.783 -0.993 3.950 1.00 4.13 H new ATOM 0 HG13 VAL A 38 -4.175 -0.260 3.740 1.00 4.13 H new ATOM 0 HG21 VAL A 38 -3.902 -0.818 0.659 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -2.626 -1.147 1.855 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -3.223 -2.456 0.808 1.00 0.23 H new ATOM 548 N LYS A 39 -4.661 -3.525 5.583 1.00 33.23 N ATOM 549 CA LYS A 39 -5.470 -4.125 6.629 1.00 11.31 C ATOM 550 C LYS A 39 -6.642 -3.229 6.960 1.00 11.33 C ATOM 551 O LYS A 39 -7.712 -3.708 7.336 1.00 73.53 O ATOM 552 CB LYS A 39 -4.649 -4.327 7.928 1.00 43.11 C ATOM 553 CG LYS A 39 -5.309 -5.263 8.936 1.00 74.14 C ATOM 554 CD LYS A 39 -4.577 -5.326 10.284 1.00 14.45 C ATOM 555 CE LYS A 39 -5.264 -6.248 11.305 1.00 35.33 C ATOM 556 NZ LYS A 39 -6.643 -5.794 11.574 1.00 54.05 N ATOM 0 H LYS A 39 -3.763 -3.171 5.913 1.00 33.23 H new ATOM 0 HA LYS A 39 -5.814 -5.090 6.258 1.00 11.31 H new ATOM 0 HB2 LYS A 39 -3.667 -4.723 7.668 1.00 43.11 H new ATOM 0 HB3 LYS A 39 -4.487 -3.357 8.399 1.00 43.11 H new ATOM 0 HG2 LYS A 39 -6.336 -4.937 9.104 1.00 74.14 H new ATOM 0 HG3 LYS A 39 -5.358 -6.266 8.511 1.00 74.14 H new ATOM 0 HD2 LYS A 39 -3.557 -5.673 10.120 1.00 14.45 H new ATOM 0 HD3 LYS A 39 -4.509 -4.321 10.700 1.00 14.45 H new ATOM 0 HE2 LYS A 39 -5.280 -7.270 10.926 1.00 35.33 H new ATOM 0 HE3 LYS A 39 -4.693 -6.261 12.233 1.00 35.33 H new ATOM 0 HZ1 LYS A 39 -7.018 -6.296 12.404 1.00 54.05 H new ATOM 0 HZ2 LYS A 39 -6.642 -4.771 11.760 1.00 54.05 H new ATOM 0 HZ3 LYS A 39 -7.242 -5.995 10.748 1.00 54.05 H new ATOM 570 N ALA A 40 -6.474 -1.918 6.828 1.00 1.45 N ATOM 571 CA ALA A 40 -7.555 -1.029 7.161 1.00 13.14 C ATOM 572 C ALA A 40 -7.256 0.234 6.486 1.00 34.14 C ATOM 573 O ALA A 40 -6.095 0.551 6.275 1.00 45.13 O ATOM 574 CB ALA A 40 -7.695 -0.725 8.668 1.00 41.02 C ATOM 0 H ALA A 40 -5.620 -1.466 6.501 1.00 1.45 H new ATOM 0 HA ALA A 40 -8.487 -1.505 6.856 1.00 13.14 H new ATOM 0 HB1 ALA A 40 -8.534 -0.048 8.826 1.00 41.02 H new ATOM 0 HB2 ALA A 40 -7.870 -1.653 9.212 1.00 41.02 H new ATOM 0 HB3 ALA A 40 -6.779 -0.259 9.032 1.00 41.02 H new ATOM 580 N VAL A 41 -8.300 0.987 6.106 1.00 40.43 N ATOM 581 CA VAL A 41 -8.108 2.266 5.498 1.00 30.43 C ATOM 582 C VAL A 41 -8.948 3.197 6.311 1.00 1.45 C ATOM 583 O VAL A 41 -10.102 2.870 6.641 1.00 62.41 O ATOM 584 CB VAL A 41 -8.596 2.326 4.049 1.00 73.21 C ATOM 585 CG1 VAL A 41 -8.151 3.662 3.406 1.00 20.43 C ATOM 586 CG2 VAL A 41 -8.043 1.105 3.304 1.00 22.25 C ATOM 0 H VAL A 41 -9.276 0.712 6.219 1.00 40.43 H new ATOM 0 HA VAL A 41 -7.046 2.510 5.474 1.00 30.43 H new ATOM 0 HB VAL A 41 -9.684 2.295 3.997 1.00 73.21 H new ATOM 0 HG11 VAL A 41 -8.499 3.703 2.374 1.00 20.43 H new ATOM 0 HG12 VAL A 41 -8.576 4.495 3.966 1.00 20.43 H new ATOM 0 HG13 VAL A 41 -7.063 3.730 3.425 1.00 20.43 H new ATOM 0 HG21 VAL A 41 -8.379 1.128 2.267 1.00 22.25 H new ATOM 0 HG22 VAL A 41 -6.954 1.124 3.332 1.00 22.25 H new ATOM 0 HG23 VAL A 41 -8.402 0.194 3.782 1.00 22.25 H new ATOM 596 N ILE A 42 -8.396 4.362 6.664 1.00 33.15 N ATOM 597 CA ILE A 42 -9.133 5.376 7.383 1.00 72.15 C ATOM 598 C ILE A 42 -9.940 6.139 6.353 1.00 34.31 C ATOM 599 O ILE A 42 -9.562 6.217 5.181 1.00 24.13 O ATOM 600 CB ILE A 42 -8.247 6.344 8.202 1.00 24.22 C ATOM 601 CG1 ILE A 42 -7.415 7.336 7.326 1.00 72.43 C ATOM 602 CG2 ILE A 42 -7.384 5.495 9.144 1.00 12.14 C ATOM 603 CD1 ILE A 42 -6.504 6.672 6.314 1.00 11.21 C ATOM 0 H ILE A 42 -7.431 4.617 6.455 1.00 33.15 H new ATOM 0 HA ILE A 42 -9.763 4.886 8.125 1.00 72.15 H new ATOM 0 HB ILE A 42 -8.885 7.010 8.783 1.00 24.22 H new ATOM 0 HG12 ILE A 42 -8.102 7.998 6.798 1.00 72.43 H new ATOM 0 HG13 ILE A 42 -6.811 7.962 7.983 1.00 72.43 H new ATOM 0 HG21 ILE A 42 -6.745 6.147 9.739 1.00 12.14 H new ATOM 0 HG22 ILE A 42 -8.029 4.917 9.806 1.00 12.14 H new ATOM 0 HG23 ILE A 42 -6.765 4.816 8.557 1.00 12.14 H new ATOM 0 HD11 ILE A 42 -5.967 7.436 5.752 1.00 11.21 H new ATOM 0 HD12 ILE A 42 -5.789 6.033 6.832 1.00 11.21 H new ATOM 0 HD13 ILE A 42 -7.100 6.069 5.629 1.00 11.21 H new ATOM 615 N PRO A 43 -11.088 6.690 6.768 1.00 15.13 N ATOM 616 CA PRO A 43 -11.911 7.498 5.891 1.00 15.52 C ATOM 617 C PRO A 43 -11.236 8.810 5.796 1.00 13.10 C ATOM 618 O PRO A 43 -10.252 9.007 6.502 1.00 31.13 O ATOM 619 CB PRO A 43 -13.208 7.682 6.682 1.00 54.02 C ATOM 620 CG PRO A 43 -12.714 7.725 8.132 1.00 72.25 C ATOM 621 CD PRO A 43 -11.629 6.628 8.138 1.00 51.42 C ATOM 0 HA PRO A 43 -12.077 7.076 4.900 1.00 15.52 H new ATOM 0 HB2 PRO A 43 -13.726 8.600 6.403 1.00 54.02 H new ATOM 0 HB3 PRO A 43 -13.904 6.860 6.515 1.00 54.02 H new ATOM 0 HG2 PRO A 43 -12.307 8.702 8.395 1.00 72.25 H new ATOM 0 HG3 PRO A 43 -13.514 7.511 8.841 1.00 72.25 H new ATOM 0 HD2 PRO A 43 -10.860 6.825 8.885 1.00 51.42 H new ATOM 0 HD3 PRO A 43 -12.048 5.647 8.363 1.00 51.42 H new ATOM 629 N GLN A 44 -11.827 9.764 5.035 1.00 32.50 N ATOM 630 CA GLN A 44 -11.478 11.169 5.169 1.00 72.51 C ATOM 631 C GLN A 44 -9.972 11.352 5.132 1.00 61.14 C ATOM 632 O GLN A 44 -9.373 11.959 6.013 1.00 71.54 O ATOM 633 CB GLN A 44 -12.062 11.743 6.478 1.00 22.22 C ATOM 634 CG GLN A 44 -13.600 11.808 6.439 1.00 4.44 C ATOM 635 CD GLN A 44 -14.103 12.132 7.826 1.00 12.04 C ATOM 636 OE1 GLN A 44 -14.811 11.330 8.442 1.00 12.11 O ATOM 637 NE2 GLN A 44 -13.737 13.309 8.345 1.00 71.23 N ATOM 0 H GLN A 44 -12.540 9.572 4.332 1.00 32.50 H new ATOM 0 HA GLN A 44 -11.908 11.714 4.329 1.00 72.51 H new ATOM 0 HB2 GLN A 44 -11.746 11.125 7.319 1.00 22.22 H new ATOM 0 HB3 GLN A 44 -11.660 12.742 6.648 1.00 22.22 H new ATOM 0 HG2 GLN A 44 -13.929 12.568 5.730 1.00 4.44 H new ATOM 0 HG3 GLN A 44 -14.011 10.857 6.100 1.00 4.44 H new ATOM 0 HE21 GLN A 44 -13.151 13.945 7.804 1.00 71.23 H new ATOM 0 HE22 GLN A 44 -14.044 13.571 9.282 1.00 71.23 H new ATOM 646 N GLY A 45 -9.355 10.797 4.101 1.00 43.24 N ATOM 647 CA GLY A 45 -7.941 10.872 3.940 1.00 3.32 C ATOM 648 C GLY A 45 -7.752 10.684 2.494 1.00 75.14 C ATOM 649 O GLY A 45 -8.729 10.492 1.777 1.00 5.20 O ATOM 0 H GLY A 45 -9.835 10.285 3.361 1.00 43.24 H new ATOM 0 HA2 GLY A 45 -7.549 11.832 4.275 1.00 3.32 H new ATOM 0 HA3 GLY A 45 -7.430 10.101 4.516 1.00 3.32 H new ATOM 653 N ALA A 46 -6.494 10.734 2.017 1.00 1.24 N ATOM 654 CA ALA A 46 -6.222 10.725 0.578 1.00 1.54 C ATOM 655 C ALA A 46 -6.699 9.417 -0.009 1.00 64.13 C ATOM 656 O ALA A 46 -7.483 9.405 -0.924 1.00 1.13 O ATOM 657 CB ALA A 46 -4.724 10.870 0.250 1.00 72.13 C ATOM 0 H ALA A 46 -5.662 10.780 2.605 1.00 1.24 H new ATOM 0 HA ALA A 46 -6.748 11.580 0.152 1.00 1.54 H new ATOM 0 HB1 ALA A 46 -4.585 10.856 -0.831 1.00 72.13 H new ATOM 0 HB2 ALA A 46 -4.353 11.813 0.652 1.00 72.13 H new ATOM 0 HB3 ALA A 46 -4.172 10.043 0.697 1.00 72.13 H new ATOM 663 N ALA A 47 -6.240 8.290 0.576 1.00 14.30 N ATOM 664 CA ALA A 47 -6.554 6.949 0.055 1.00 15.21 C ATOM 665 C ALA A 47 -8.064 6.767 -0.116 1.00 32.13 C ATOM 666 O ALA A 47 -8.522 6.371 -1.189 1.00 3.01 O ATOM 667 CB ALA A 47 -6.063 5.831 1.004 1.00 10.10 C ATOM 0 H ALA A 47 -5.651 8.286 1.409 1.00 14.30 H new ATOM 0 HA ALA A 47 -6.043 6.872 -0.905 1.00 15.21 H new ATOM 0 HB1 ALA A 47 -6.315 4.858 0.581 1.00 10.10 H new ATOM 0 HB2 ALA A 47 -4.982 5.905 1.125 1.00 10.10 H new ATOM 0 HB3 ALA A 47 -6.545 5.941 1.975 1.00 10.10 H new ATOM 673 N GLU A 48 -8.856 7.080 0.923 1.00 24.53 N ATOM 674 CA GLU A 48 -10.308 6.920 0.848 1.00 23.31 C ATOM 675 C GLU A 48 -10.893 7.931 -0.123 1.00 71.14 C ATOM 676 O GLU A 48 -11.701 7.585 -0.977 1.00 3.42 O ATOM 677 CB GLU A 48 -10.988 7.132 2.226 1.00 2.22 C ATOM 678 CG GLU A 48 -12.536 7.134 2.206 1.00 63.04 C ATOM 679 CD GLU A 48 -13.075 5.744 1.933 1.00 71.51 C ATOM 680 OE1 GLU A 48 -12.292 4.811 1.645 1.00 52.04 O ATOM 681 OE2 GLU A 48 -14.309 5.575 2.016 1.00 71.34 O ATOM 0 H GLU A 48 -8.515 7.441 1.814 1.00 24.53 H new ATOM 0 HA GLU A 48 -10.497 5.900 0.512 1.00 23.31 H new ATOM 0 HB2 GLU A 48 -10.651 6.348 2.904 1.00 2.22 H new ATOM 0 HB3 GLU A 48 -10.645 8.080 2.640 1.00 2.22 H new ATOM 0 HG2 GLU A 48 -12.916 7.494 3.162 1.00 63.04 H new ATOM 0 HG3 GLU A 48 -12.893 7.824 1.441 1.00 63.04 H new ATOM 688 N SER A 49 -10.526 9.209 0.040 1.00 62.41 N ATOM 689 CA SER A 49 -11.154 10.308 -0.702 1.00 4.51 C ATOM 690 C SER A 49 -10.878 10.148 -2.189 1.00 23.15 C ATOM 691 O SER A 49 -11.720 10.478 -3.027 1.00 33.25 O ATOM 692 CB SER A 49 -10.627 11.695 -0.233 1.00 54.23 C ATOM 693 OG SER A 49 -11.421 12.775 -0.732 1.00 71.32 O ATOM 0 H SER A 49 -9.793 9.507 0.683 1.00 62.41 H new ATOM 0 HA SER A 49 -12.226 10.266 -0.509 1.00 4.51 H new ATOM 0 HB2 SER A 49 -10.617 11.728 0.856 1.00 54.23 H new ATOM 0 HB3 SER A 49 -9.597 11.821 -0.565 1.00 54.23 H new ATOM 0 HG SER A 49 -11.055 13.626 -0.412 1.00 71.32 H new ATOM 699 N ASP A 50 -9.698 9.615 -2.531 1.00 70.12 N ATOM 700 CA ASP A 50 -9.320 9.453 -3.925 1.00 5.23 C ATOM 701 C ASP A 50 -10.041 8.212 -4.414 1.00 2.31 C ATOM 702 O ASP A 50 -10.489 8.130 -5.552 1.00 52.31 O ATOM 703 CB ASP A 50 -7.797 9.261 -4.107 1.00 52.33 C ATOM 704 CG ASP A 50 -7.371 9.786 -5.472 1.00 32.11 C ATOM 705 OD1 ASP A 50 -7.899 9.318 -6.499 1.00 52.50 O ATOM 706 OD2 ASP A 50 -6.488 10.683 -5.523 1.00 35.13 O ATOM 0 H ASP A 50 -8.999 9.293 -1.861 1.00 70.12 H new ATOM 0 HA ASP A 50 -9.589 10.349 -4.484 1.00 5.23 H new ATOM 0 HB2 ASP A 50 -7.258 9.788 -3.320 1.00 52.33 H new ATOM 0 HB3 ASP A 50 -7.541 8.205 -4.017 1.00 52.33 H new ATOM 711 N GLY A 51 -10.241 7.238 -3.488 1.00 22.33 N ATOM 712 CA GLY A 51 -11.098 6.090 -3.748 1.00 32.35 C ATOM 713 C GLY A 51 -10.362 5.063 -4.531 1.00 65.00 C ATOM 714 O GLY A 51 -10.980 4.236 -5.198 1.00 75.21 O ATOM 0 H GLY A 51 -9.814 7.240 -2.562 1.00 22.33 H new ATOM 0 HA2 GLY A 51 -11.440 5.662 -2.806 1.00 32.35 H new ATOM 0 HA3 GLY A 51 -11.986 6.407 -4.295 1.00 32.35 H new ATOM 718 N ARG A 52 -9.015 5.079 -4.485 1.00 0.52 N ATOM 719 CA ARG A 52 -8.252 4.162 -5.305 1.00 22.32 C ATOM 720 C ARG A 52 -7.784 3.041 -4.430 1.00 24.40 C ATOM 721 O ARG A 52 -6.950 2.242 -4.836 1.00 42.12 O ATOM 722 CB ARG A 52 -7.030 4.800 -5.983 1.00 63.13 C ATOM 723 CG ARG A 52 -7.374 6.044 -6.811 1.00 63.12 C ATOM 724 CD ARG A 52 -6.207 6.498 -7.702 1.00 54.13 C ATOM 725 NE ARG A 52 -6.509 7.864 -8.238 1.00 41.12 N ATOM 726 CZ ARG A 52 -5.890 8.357 -9.376 1.00 32.34 C ATOM 727 NH1 ARG A 52 -5.121 7.535 -10.164 1.00 12.15 N ATOM 728 NH2 ARG A 52 -6.041 9.671 -9.714 1.00 34.12 N ATOM 0 H ARG A 52 -8.460 5.704 -3.901 1.00 0.52 H new ATOM 0 HA ARG A 52 -8.908 3.823 -6.107 1.00 22.32 H new ATOM 0 HB2 ARG A 52 -6.300 5.071 -5.220 1.00 63.13 H new ATOM 0 HB3 ARG A 52 -6.556 4.062 -6.630 1.00 63.13 H new ATOM 0 HG2 ARG A 52 -8.243 5.833 -7.435 1.00 63.12 H new ATOM 0 HG3 ARG A 52 -7.653 6.857 -6.141 1.00 63.12 H new ATOM 0 HD2 ARG A 52 -5.280 6.514 -7.129 1.00 54.13 H new ATOM 0 HD3 ARG A 52 -6.063 5.795 -8.522 1.00 54.13 H new ATOM 0 HE ARG A 52 -7.189 8.448 -7.752 1.00 41.12 H new ATOM 0 HH11 ARG A 52 -5.002 6.553 -9.913 1.00 12.15 H new ATOM 0 HH12 ARG A 52 -4.669 7.906 -11.000 1.00 12.15 H new ATOM 0 HH21 ARG A 52 -6.608 10.286 -9.130 1.00 34.12 H new ATOM 0 HH22 ARG A 52 -5.587 10.038 -10.551 1.00 34.12 H new ATOM 742 N ILE A 53 -8.272 2.999 -3.184 1.00 10.12 N ATOM 743 CA ILE A 53 -7.756 2.085 -2.219 1.00 60.42 C ATOM 744 C ILE A 53 -8.939 1.674 -1.404 1.00 11.22 C ATOM 745 O ILE A 53 -9.867 2.472 -1.152 1.00 55.11 O ATOM 746 CB ILE A 53 -6.662 2.702 -1.312 1.00 64.32 C ATOM 747 CG1 ILE A 53 -5.363 2.845 -2.108 1.00 3.01 C ATOM 748 CG2 ILE A 53 -6.437 1.854 -0.042 1.00 50.02 C ATOM 749 CD1 ILE A 53 -4.269 3.604 -1.375 1.00 50.22 C ATOM 0 H ILE A 53 -9.024 3.597 -2.843 1.00 10.12 H new ATOM 0 HA ILE A 53 -7.266 1.248 -2.716 1.00 60.42 H new ATOM 0 HB ILE A 53 -6.995 3.687 -0.986 1.00 64.32 H new ATOM 0 HG12 ILE A 53 -4.994 1.852 -2.363 1.00 3.01 H new ATOM 0 HG13 ILE A 53 -5.579 3.355 -3.047 1.00 3.01 H new ATOM 0 HG21 ILE A 53 -5.663 2.316 0.571 1.00 50.02 H new ATOM 0 HG22 ILE A 53 -7.365 1.797 0.527 1.00 50.02 H new ATOM 0 HG23 ILE A 53 -6.124 0.849 -0.326 1.00 50.02 H new ATOM 0 HD11 ILE A 53 -3.382 3.662 -2.005 1.00 50.22 H new ATOM 0 HD12 ILE A 53 -4.617 4.611 -1.144 1.00 50.22 H new ATOM 0 HD13 ILE A 53 -4.023 3.084 -0.449 1.00 50.22 H new ATOM 761 N HIS A 54 -8.912 0.421 -0.974 1.00 13.12 N ATOM 762 CA HIS A 54 -9.852 -0.092 -0.071 1.00 62.44 C ATOM 763 C HIS A 54 -9.113 -1.191 0.582 1.00 24.15 C ATOM 764 O HIS A 54 -8.089 -1.645 0.054 1.00 24.32 O ATOM 765 CB HIS A 54 -11.152 -0.643 -0.698 1.00 52.33 C ATOM 766 CG HIS A 54 -10.938 -1.869 -1.515 1.00 41.41 C ATOM 767 ND1 HIS A 54 -10.409 -1.849 -2.764 1.00 23.24 N ATOM 768 CD2 HIS A 54 -11.106 -3.140 -1.175 1.00 12.12 C ATOM 769 CE1 HIS A 54 -10.273 -3.104 -3.167 1.00 61.11 C ATOM 770 NE2 HIS A 54 -10.686 -3.906 -2.211 1.00 40.43 N ATOM 0 H HIS A 54 -8.209 -0.257 -1.267 1.00 13.12 H new ATOM 0 HA HIS A 54 -10.208 0.701 0.586 1.00 62.44 H new ATOM 0 HB2 HIS A 54 -11.865 -0.864 0.096 1.00 52.33 H new ATOM 0 HB3 HIS A 54 -11.601 0.128 -1.324 1.00 52.33 H new ATOM 0 HD2 HIS A 54 -11.506 -3.500 -0.239 1.00 12.12 H new ATOM 0 HE1 HIS A 54 -9.886 -3.417 -4.125 1.00 61.11 H new ATOM 0 HE2 HIS A 54 -10.690 -4.925 -2.243 1.00 40.43 H new ATOM 779 N LYS A 55 -9.561 -1.614 1.759 1.00 2.43 N ATOM 780 CA LYS A 55 -8.880 -2.652 2.495 1.00 63.11 C ATOM 781 C LYS A 55 -8.993 -3.939 1.724 1.00 72.31 C ATOM 782 O LYS A 55 -9.974 -4.174 1.032 1.00 53.04 O ATOM 783 CB LYS A 55 -9.397 -2.849 3.939 1.00 34.12 C ATOM 784 CG LYS A 55 -10.894 -3.190 4.037 1.00 2.23 C ATOM 785 CD LYS A 55 -11.405 -3.261 5.479 1.00 21.01 C ATOM 786 CE LYS A 55 -11.568 -1.887 6.143 1.00 61.23 C ATOM 787 NZ LYS A 55 -11.976 -2.040 7.547 1.00 12.40 N ATOM 0 H LYS A 55 -10.395 -1.248 2.218 1.00 2.43 H new ATOM 0 HA LYS A 55 -7.841 -2.341 2.600 1.00 63.11 H new ATOM 0 HB2 LYS A 55 -8.823 -3.646 4.412 1.00 34.12 H new ATOM 0 HB3 LYS A 55 -9.206 -1.939 4.508 1.00 34.12 H new ATOM 0 HG2 LYS A 55 -11.467 -2.440 3.492 1.00 2.23 H new ATOM 0 HG3 LYS A 55 -11.075 -4.147 3.547 1.00 2.23 H new ATOM 0 HD2 LYS A 55 -12.365 -3.776 5.490 1.00 21.01 H new ATOM 0 HD3 LYS A 55 -10.714 -3.861 6.071 1.00 21.01 H new ATOM 0 HE2 LYS A 55 -10.629 -1.336 6.089 1.00 61.23 H new ATOM 0 HE3 LYS A 55 -12.312 -1.302 5.603 1.00 61.23 H new ATOM 0 HZ1 LYS A 55 -12.082 -1.101 7.982 1.00 12.40 H new ATOM 0 HZ2 LYS A 55 -12.883 -2.547 7.592 1.00 12.40 H new ATOM 0 HZ3 LYS A 55 -11.252 -2.580 8.062 1.00 12.40 H new ATOM 801 N GLY A 56 -7.979 -4.782 1.806 1.00 62.22 N ATOM 802 CA GLY A 56 -8.007 -6.042 1.091 1.00 44.43 C ATOM 803 C GLY A 56 -7.157 -5.954 -0.128 1.00 10.44 C ATOM 804 O GLY A 56 -6.536 -6.947 -0.505 1.00 3.12 O ATOM 0 H GLY A 56 -7.135 -4.618 2.355 1.00 62.22 H new ATOM 0 HA2 GLY A 56 -7.649 -6.844 1.737 1.00 44.43 H new ATOM 0 HA3 GLY A 56 -9.032 -6.289 0.813 1.00 44.43 H new ATOM 808 N ASP A 57 -7.070 -4.760 -0.786 1.00 60.35 N ATOM 809 CA ASP A 57 -6.104 -4.598 -1.891 1.00 43.42 C ATOM 810 C ASP A 57 -4.749 -4.609 -1.239 1.00 34.23 C ATOM 811 O ASP A 57 -4.635 -4.364 -0.025 1.00 43.21 O ATOM 812 CB ASP A 57 -6.247 -3.281 -2.741 1.00 1.52 C ATOM 813 CG ASP A 57 -7.451 -3.382 -3.701 1.00 32.42 C ATOM 814 OD1 ASP A 57 -8.092 -4.459 -3.786 1.00 30.13 O ATOM 815 OD2 ASP A 57 -7.772 -2.372 -4.386 1.00 62.34 O ATOM 0 H ASP A 57 -7.634 -3.936 -0.576 1.00 60.35 H new ATOM 0 HA ASP A 57 -6.278 -5.401 -2.607 1.00 43.42 H new ATOM 0 HB2 ASP A 57 -6.375 -2.426 -2.078 1.00 1.52 H new ATOM 0 HB3 ASP A 57 -5.334 -3.109 -3.311 1.00 1.52 H new ATOM 820 N ARG A 58 -3.696 -4.970 -1.994 1.00 41.41 N ATOM 821 CA ARG A 58 -2.438 -5.212 -1.378 1.00 73.14 C ATOM 822 C ARG A 58 -1.392 -4.502 -2.145 1.00 35.44 C ATOM 823 O ARG A 58 -1.582 -4.162 -3.290 1.00 4.21 O ATOM 824 CB ARG A 58 -2.104 -6.711 -1.258 1.00 1.22 C ATOM 825 CG ARG A 58 -1.976 -7.504 -2.558 1.00 54.13 C ATOM 826 CD ARG A 58 -0.564 -7.469 -3.161 1.00 61.13 C ATOM 827 NE ARG A 58 -0.492 -8.508 -4.238 1.00 11.03 N ATOM 828 CZ ARG A 58 0.673 -9.137 -4.573 1.00 23.30 C ATOM 829 NH1 ARG A 58 1.815 -8.890 -3.865 1.00 70.31 N ATOM 830 NH2 ARG A 58 0.682 -10.009 -5.622 1.00 14.04 N ATOM 0 H ARG A 58 -3.717 -5.091 -3.007 1.00 41.41 H new ATOM 0 HA ARG A 58 -2.484 -4.835 -0.356 1.00 73.14 H new ATOM 0 HB2 ARG A 58 -1.166 -6.805 -0.711 1.00 1.22 H new ATOM 0 HB3 ARG A 58 -2.876 -7.182 -0.650 1.00 1.22 H new ATOM 0 HG2 ARG A 58 -2.257 -8.540 -2.371 1.00 54.13 H new ATOM 0 HG3 ARG A 58 -2.684 -7.108 -3.287 1.00 54.13 H new ATOM 0 HD2 ARG A 58 -0.349 -6.482 -3.570 1.00 61.13 H new ATOM 0 HD3 ARG A 58 0.183 -7.665 -2.392 1.00 61.13 H new ATOM 0 HE ARG A 58 -1.345 -8.755 -4.740 1.00 11.03 H new ATOM 0 HH11 ARG A 58 1.799 -8.234 -3.084 1.00 70.31 H new ATOM 0 HH12 ARG A 58 2.684 -9.361 -4.118 1.00 70.31 H new ATOM 0 HH21 ARG A 58 -0.175 -10.185 -6.146 1.00 14.04 H new ATOM 0 HH22 ARG A 58 1.546 -10.485 -5.882 1.00 14.04 H new ATOM 844 N VAL A 59 -0.262 -4.238 -1.479 1.00 44.31 N ATOM 845 CA VAL A 59 0.794 -3.463 -2.035 1.00 64.14 C ATOM 846 C VAL A 59 1.749 -4.432 -2.681 1.00 24.23 C ATOM 847 O VAL A 59 1.999 -5.533 -2.159 1.00 24.33 O ATOM 848 CB VAL A 59 1.536 -2.661 -0.962 1.00 11.31 C ATOM 849 CG1 VAL A 59 2.572 -1.733 -1.628 1.00 41.25 C ATOM 850 CG2 VAL A 59 0.488 -1.881 -0.129 1.00 71.41 C ATOM 0 H VAL A 59 -0.077 -4.570 -0.533 1.00 44.31 H new ATOM 0 HA VAL A 59 0.388 -2.747 -2.749 1.00 64.14 H new ATOM 0 HB VAL A 59 2.088 -3.318 -0.290 1.00 11.31 H new ATOM 0 HG11 VAL A 59 3.097 -1.164 -0.861 1.00 41.25 H new ATOM 0 HG12 VAL A 59 3.288 -2.332 -2.190 1.00 41.25 H new ATOM 0 HG13 VAL A 59 2.063 -1.046 -2.304 1.00 41.25 H new ATOM 0 HG21 VAL A 59 0.995 -1.302 0.643 1.00 71.41 H new ATOM 0 HG22 VAL A 59 -0.068 -1.208 -0.782 1.00 71.41 H new ATOM 0 HG23 VAL A 59 -0.201 -2.584 0.339 1.00 71.41 H new ATOM 860 N LEU A 60 2.280 -4.049 -3.839 1.00 71.45 N ATOM 861 CA LEU A 60 3.303 -4.830 -4.511 1.00 1.43 C ATOM 862 C LEU A 60 4.610 -4.157 -4.216 1.00 52.43 C ATOM 863 O LEU A 60 5.509 -4.758 -3.632 1.00 52.23 O ATOM 864 CB LEU A 60 3.141 -4.792 -6.055 1.00 73.34 C ATOM 865 CG LEU A 60 1.997 -5.666 -6.592 1.00 33.24 C ATOM 866 CD1 LEU A 60 1.412 -5.105 -7.870 1.00 63.51 C ATOM 867 CD2 LEU A 60 2.411 -7.132 -6.772 1.00 63.13 C ATOM 0 H LEU A 60 2.013 -3.196 -4.331 1.00 71.45 H new ATOM 0 HA LEU A 60 3.239 -5.863 -4.169 1.00 1.43 H new ATOM 0 HB2 LEU A 60 2.972 -3.761 -6.366 1.00 73.34 H new ATOM 0 HB3 LEU A 60 4.075 -5.114 -6.515 1.00 73.34 H new ATOM 0 HG LEU A 60 1.217 -5.646 -5.831 1.00 33.24 H new ATOM 0 HD11 LEU A 60 0.606 -5.752 -8.216 1.00 63.51 H new ATOM 0 HD12 LEU A 60 1.019 -4.106 -7.682 1.00 63.51 H new ATOM 0 HD13 LEU A 60 2.189 -5.052 -8.633 1.00 63.51 H new ATOM 0 HD21 LEU A 60 1.566 -7.705 -7.153 1.00 63.13 H new ATOM 0 HD22 LEU A 60 3.239 -7.192 -7.479 1.00 63.13 H new ATOM 0 HD23 LEU A 60 2.723 -7.542 -5.812 1.00 63.13 H new ATOM 879 N ALA A 61 4.739 -2.872 -4.615 1.00 63.51 N ATOM 880 CA ALA A 61 5.985 -2.169 -4.448 1.00 11.42 C ATOM 881 C ALA A 61 5.642 -0.821 -3.932 1.00 14.20 C ATOM 882 O ALA A 61 4.571 -0.304 -4.234 1.00 32.31 O ATOM 883 CB ALA A 61 6.743 -1.961 -5.784 1.00 5.30 C ATOM 0 H ALA A 61 3.994 -2.326 -5.047 1.00 63.51 H new ATOM 0 HA ALA A 61 6.624 -2.753 -3.785 1.00 11.42 H new ATOM 0 HB1 ALA A 61 7.674 -1.426 -5.595 1.00 5.30 H new ATOM 0 HB2 ALA A 61 6.966 -2.930 -6.231 1.00 5.30 H new ATOM 0 HB3 ALA A 61 6.123 -1.380 -6.467 1.00 5.30 H new ATOM 889 N VAL A 62 6.563 -0.201 -3.155 1.00 71.34 N ATOM 890 CA VAL A 62 6.362 1.157 -2.708 1.00 53.21 C ATOM 891 C VAL A 62 7.525 1.925 -3.243 1.00 73.00 C ATOM 892 O VAL A 62 8.672 1.586 -2.997 1.00 73.02 O ATOM 893 CB VAL A 62 6.302 1.352 -1.190 1.00 54.30 C ATOM 894 CG1 VAL A 62 6.083 2.854 -0.880 1.00 62.51 C ATOM 895 CG2 VAL A 62 5.182 0.466 -0.631 1.00 63.24 C ATOM 0 H VAL A 62 7.433 -0.630 -2.840 1.00 71.34 H new ATOM 0 HA VAL A 62 5.387 1.488 -3.066 1.00 53.21 H new ATOM 0 HB VAL A 62 7.236 1.055 -0.712 1.00 54.30 H new ATOM 0 HG11 VAL A 62 6.039 3.000 0.199 1.00 62.51 H new ATOM 0 HG12 VAL A 62 6.909 3.435 -1.292 1.00 62.51 H new ATOM 0 HG13 VAL A 62 5.147 3.186 -1.329 1.00 62.51 H new ATOM 0 HG21 VAL A 62 5.124 0.592 0.450 1.00 63.24 H new ATOM 0 HG22 VAL A 62 4.232 0.753 -1.081 1.00 63.24 H new ATOM 0 HG23 VAL A 62 5.393 -0.578 -0.864 1.00 63.24 H new ATOM 905 N ASN A 63 7.207 2.977 -4.010 1.00 1.44 N ATOM 906 CA ASN A 63 8.178 3.894 -4.623 1.00 60.52 C ATOM 907 C ASN A 63 9.246 3.123 -5.382 1.00 1.43 C ATOM 908 O ASN A 63 10.397 3.530 -5.450 1.00 51.54 O ATOM 909 CB ASN A 63 8.840 4.899 -3.633 1.00 73.52 C ATOM 910 CG ASN A 63 9.321 6.120 -4.433 1.00 10.22 C ATOM 911 OD1 ASN A 63 8.553 6.690 -5.211 1.00 34.21 O ATOM 912 ND2 ASN A 63 10.582 6.541 -4.243 1.00 75.55 N ATOM 0 H ASN A 63 6.241 3.220 -4.227 1.00 1.44 H new ATOM 0 HA ASN A 63 7.595 4.502 -5.315 1.00 60.52 H new ATOM 0 HB2 ASN A 63 8.126 5.204 -2.868 1.00 73.52 H new ATOM 0 HB3 ASN A 63 9.678 4.429 -3.118 1.00 73.52 H new ATOM 0 HD21 ASN A 63 10.930 7.355 -4.750 1.00 75.55 H new ATOM 0 HD22 ASN A 63 11.192 6.047 -3.592 1.00 75.55 H new ATOM 919 N GLY A 64 8.843 1.999 -6.007 1.00 52.43 N ATOM 920 CA GLY A 64 9.705 1.301 -6.922 1.00 2.44 C ATOM 921 C GLY A 64 10.260 0.117 -6.244 1.00 73.43 C ATOM 922 O GLY A 64 10.716 -0.819 -6.899 1.00 61.43 O ATOM 0 H GLY A 64 7.925 1.573 -5.881 1.00 52.43 H new ATOM 0 HA2 GLY A 64 9.149 1.001 -7.810 1.00 2.44 H new ATOM 0 HA3 GLY A 64 10.510 1.956 -7.256 1.00 2.44 H new ATOM 926 N VAL A 65 10.283 0.126 -4.911 1.00 53.04 N ATOM 927 CA VAL A 65 10.924 -0.882 -4.182 1.00 52.52 C ATOM 928 C VAL A 65 9.988 -2.061 -4.090 1.00 12.24 C ATOM 929 O VAL A 65 8.925 -1.956 -3.475 1.00 51.13 O ATOM 930 CB VAL A 65 11.228 -0.398 -2.779 1.00 25.43 C ATOM 931 CG1 VAL A 65 11.974 -1.485 -2.052 1.00 72.42 C ATOM 932 CG2 VAL A 65 12.026 0.921 -2.878 1.00 25.31 C ATOM 0 H VAL A 65 9.847 0.849 -4.338 1.00 53.04 H new ATOM 0 HA VAL A 65 11.856 -1.156 -4.677 1.00 52.52 H new ATOM 0 HB VAL A 65 10.321 -0.188 -2.212 1.00 25.43 H new ATOM 0 HG11 VAL A 65 12.202 -1.155 -1.039 1.00 72.42 H new ATOM 0 HG12 VAL A 65 11.359 -2.384 -2.011 1.00 72.42 H new ATOM 0 HG13 VAL A 65 12.902 -1.705 -2.580 1.00 72.42 H new ATOM 0 HG21 VAL A 65 12.254 1.284 -1.876 1.00 25.31 H new ATOM 0 HG22 VAL A 65 12.955 0.744 -3.420 1.00 25.31 H new ATOM 0 HG23 VAL A 65 11.433 1.666 -3.408 1.00 25.31 H new ATOM 942 N SER A 66 10.394 -3.217 -4.706 1.00 43.10 N ATOM 943 CA SER A 66 9.662 -4.484 -4.569 1.00 53.52 C ATOM 944 C SER A 66 9.515 -4.769 -3.094 1.00 72.20 C ATOM 945 O SER A 66 10.503 -4.927 -2.373 1.00 61.25 O ATOM 946 CB SER A 66 10.373 -5.682 -5.234 1.00 51.14 C ATOM 947 OG SER A 66 10.630 -5.393 -6.611 1.00 22.45 O ATOM 0 H SER A 66 11.223 -3.279 -5.296 1.00 43.10 H new ATOM 0 HA SER A 66 8.703 -4.370 -5.074 1.00 53.52 H new ATOM 0 HB2 SER A 66 11.309 -5.893 -4.717 1.00 51.14 H new ATOM 0 HB3 SER A 66 9.754 -6.575 -5.150 1.00 51.14 H new ATOM 0 HG SER A 66 11.083 -6.156 -7.027 1.00 22.45 H new ATOM 953 N LEU A 67 8.266 -4.719 -2.613 1.00 22.40 N ATOM 954 CA LEU A 67 8.019 -4.602 -1.200 1.00 31.22 C ATOM 955 C LEU A 67 7.582 -5.946 -0.724 1.00 75.34 C ATOM 956 O LEU A 67 7.545 -6.219 0.442 1.00 14.13 O ATOM 957 CB LEU A 67 6.900 -3.551 -0.941 1.00 2.02 C ATOM 958 CG LEU A 67 6.893 -2.869 0.440 1.00 43.34 C ATOM 959 CD1 LEU A 67 6.163 -3.672 1.498 1.00 12.41 C ATOM 960 CD2 LEU A 67 8.274 -2.342 0.887 1.00 44.45 C ATOM 0 H LEU A 67 7.426 -4.759 -3.191 1.00 22.40 H new ATOM 0 HA LEU A 67 8.914 -4.274 -0.671 1.00 31.22 H new ATOM 0 HB2 LEU A 67 6.980 -2.775 -1.702 1.00 2.02 H new ATOM 0 HB3 LEU A 67 5.936 -4.039 -1.083 1.00 2.02 H new ATOM 0 HG LEU A 67 6.296 -1.966 0.310 1.00 43.34 H new ATOM 0 HD11 LEU A 67 6.195 -3.137 2.447 1.00 12.41 H new ATOM 0 HD12 LEU A 67 5.125 -3.814 1.196 1.00 12.41 H new ATOM 0 HD13 LEU A 67 6.643 -4.644 1.613 1.00 12.41 H new ATOM 0 HD21 LEU A 67 8.185 -1.876 1.868 1.00 44.45 H new ATOM 0 HD22 LEU A 67 8.980 -3.171 0.941 1.00 44.45 H new ATOM 0 HD23 LEU A 67 8.633 -1.607 0.167 1.00 44.45 H new ATOM 972 N GLU A 68 7.281 -6.842 -1.660 1.00 63.14 N ATOM 973 CA GLU A 68 6.931 -8.199 -1.310 1.00 43.13 C ATOM 974 C GLU A 68 8.100 -8.826 -0.571 1.00 3.31 C ATOM 975 O GLU A 68 9.235 -8.757 -1.021 1.00 4.40 O ATOM 976 CB GLU A 68 6.639 -9.063 -2.530 1.00 20.12 C ATOM 977 CG GLU A 68 5.447 -8.580 -3.353 1.00 55.15 C ATOM 978 CD GLU A 68 5.153 -9.642 -4.375 1.00 14.13 C ATOM 979 OE1 GLU A 68 6.044 -9.984 -5.158 1.00 61.33 O ATOM 980 OE2 GLU A 68 4.036 -10.159 -4.376 1.00 65.22 O ATOM 0 H GLU A 68 7.275 -6.646 -2.661 1.00 63.14 H new ATOM 0 HA GLU A 68 6.030 -8.154 -0.699 1.00 43.13 H new ATOM 0 HB2 GLU A 68 7.523 -9.087 -3.167 1.00 20.12 H new ATOM 0 HB3 GLU A 68 6.453 -10.086 -2.204 1.00 20.12 H new ATOM 0 HG2 GLU A 68 4.581 -8.411 -2.713 1.00 55.15 H new ATOM 0 HG3 GLU A 68 5.674 -7.631 -3.839 1.00 55.15 H new ATOM 987 N GLY A 69 7.819 -9.424 0.604 1.00 51.41 N ATOM 988 CA GLY A 69 8.854 -10.060 1.396 1.00 53.20 C ATOM 989 C GLY A 69 9.361 -9.075 2.399 1.00 23.23 C ATOM 990 O GLY A 69 10.063 -9.453 3.361 1.00 74.42 O ATOM 0 H GLY A 69 6.885 -9.472 1.011 1.00 51.41 H new ATOM 0 HA2 GLY A 69 8.457 -10.942 1.899 1.00 53.20 H new ATOM 0 HA3 GLY A 69 9.667 -10.398 0.754 1.00 53.20 H new ATOM 994 N ALA A 70 9.034 -7.777 2.208 1.00 73.22 N ATOM 995 CA ALA A 70 9.447 -6.767 3.135 1.00 53.23 C ATOM 996 C ALA A 70 8.467 -6.807 4.269 1.00 11.01 C ATOM 997 O ALA A 70 7.343 -7.236 4.100 1.00 34.11 O ATOM 998 CB ALA A 70 9.478 -5.349 2.538 1.00 34.03 C ATOM 0 H ALA A 70 8.488 -7.433 1.418 1.00 73.22 H new ATOM 0 HA ALA A 70 10.471 -6.977 3.445 1.00 53.23 H new ATOM 0 HB1 ALA A 70 9.800 -4.640 3.301 1.00 34.03 H new ATOM 0 HB2 ALA A 70 10.175 -5.322 1.700 1.00 34.03 H new ATOM 0 HB3 ALA A 70 8.481 -5.079 2.190 1.00 34.03 H new ATOM 1004 N THR A 71 8.915 -6.438 5.468 1.00 32.10 N ATOM 1005 CA THR A 71 8.146 -6.694 6.654 1.00 51.03 C ATOM 1006 C THR A 71 7.106 -5.590 6.845 1.00 70.22 C ATOM 1007 O THR A 71 7.045 -4.642 6.064 1.00 52.13 O ATOM 1008 CB THR A 71 9.030 -6.831 7.897 1.00 50.23 C ATOM 1009 OG1 THR A 71 9.657 -5.591 8.253 1.00 43.44 O ATOM 1010 CG2 THR A 71 10.134 -7.862 7.586 1.00 14.21 C ATOM 0 H THR A 71 9.804 -5.964 5.629 1.00 32.10 H new ATOM 0 HA THR A 71 7.637 -7.649 6.523 1.00 51.03 H new ATOM 0 HB THR A 71 8.402 -7.142 8.732 1.00 50.23 H new ATOM 0 HG1 THR A 71 10.210 -5.721 9.051 1.00 43.44 H new ATOM 0 HG21 THR A 71 10.779 -7.978 8.457 1.00 14.21 H new ATOM 0 HG22 THR A 71 9.678 -8.821 7.342 1.00 14.21 H new ATOM 0 HG23 THR A 71 10.727 -7.516 6.739 1.00 14.21 H new ATOM 1018 N HIS A 72 6.269 -5.713 7.938 1.00 11.21 N ATOM 1019 CA HIS A 72 5.241 -4.709 8.283 1.00 21.50 C ATOM 1020 C HIS A 72 5.945 -3.387 8.428 1.00 53.05 C ATOM 1021 O HIS A 72 5.548 -2.396 7.834 1.00 62.53 O ATOM 1022 CB HIS A 72 4.538 -4.948 9.677 1.00 12.44 C ATOM 1023 CG HIS A 72 3.547 -6.085 9.764 1.00 44.54 C ATOM 1024 ND1 HIS A 72 3.905 -7.388 9.632 1.00 62.12 N ATOM 1025 CD2 HIS A 72 2.239 -6.069 10.117 1.00 61.20 C ATOM 1026 CE1 HIS A 72 2.849 -8.149 9.878 1.00 53.33 C ATOM 1027 NE2 HIS A 72 1.825 -7.366 10.190 1.00 31.41 N ATOM 0 H HIS A 72 6.303 -6.504 8.581 1.00 11.21 H new ATOM 0 HA HIS A 72 4.485 -4.759 7.499 1.00 21.50 H new ATOM 0 HB2 HIS A 72 5.315 -5.119 10.422 1.00 12.44 H new ATOM 0 HB3 HIS A 72 4.024 -4.029 9.958 1.00 12.44 H new ATOM 0 HD2 HIS A 72 1.637 -5.193 10.305 1.00 61.20 H new ATOM 0 HE1 HIS A 72 2.826 -9.228 9.832 1.00 53.33 H new ATOM 0 HE2 HIS A 72 0.888 -7.680 10.442 1.00 31.41 H new ATOM 1036 N LYS A 73 7.024 -3.360 9.259 1.00 31.14 N ATOM 1037 CA LYS A 73 7.774 -2.133 9.497 1.00 10.43 C ATOM 1038 C LYS A 73 8.320 -1.584 8.209 1.00 45.14 C ATOM 1039 O LYS A 73 8.167 -0.411 7.933 1.00 34.05 O ATOM 1040 CB LYS A 73 8.938 -2.299 10.494 1.00 11.32 C ATOM 1041 CG LYS A 73 8.491 -2.768 11.890 1.00 4.43 C ATOM 1042 CD LYS A 73 7.306 -1.961 12.461 1.00 21.51 C ATOM 1043 CE LYS A 73 7.027 -2.214 13.952 1.00 43.42 C ATOM 1044 NZ LYS A 73 8.142 -1.722 14.785 1.00 21.13 N ATOM 0 H LYS A 73 7.377 -4.174 9.762 1.00 31.14 H new ATOM 0 HA LYS A 73 7.058 -1.441 9.940 1.00 10.43 H new ATOM 0 HB2 LYS A 73 9.652 -3.017 10.090 1.00 11.32 H new ATOM 0 HB3 LYS A 73 9.462 -1.348 10.590 1.00 11.32 H new ATOM 0 HG2 LYS A 73 8.212 -3.821 11.839 1.00 4.43 H new ATOM 0 HG3 LYS A 73 9.334 -2.695 12.576 1.00 4.43 H new ATOM 0 HD2 LYS A 73 7.502 -0.899 12.315 1.00 21.51 H new ATOM 0 HD3 LYS A 73 6.409 -2.201 11.890 1.00 21.51 H new ATOM 0 HE2 LYS A 73 6.102 -1.716 14.243 1.00 43.42 H new ATOM 0 HE3 LYS A 73 6.882 -3.281 14.124 1.00 43.42 H new ATOM 0 HZ1 LYS A 73 7.846 -1.698 15.782 1.00 21.13 H new ATOM 0 HZ2 LYS A 73 8.959 -2.357 14.681 1.00 21.13 H new ATOM 0 HZ3 LYS A 73 8.407 -0.764 14.480 1.00 21.13 H new ATOM 1058 N GLN A 74 8.965 -2.432 7.394 1.00 1.25 N ATOM 1059 CA GLN A 74 9.507 -1.972 6.114 1.00 65.40 C ATOM 1060 C GLN A 74 8.412 -1.354 5.263 1.00 30.32 C ATOM 1061 O GLN A 74 8.627 -0.302 4.660 1.00 4.20 O ATOM 1062 CB GLN A 74 10.179 -3.069 5.304 1.00 22.34 C ATOM 1063 CG GLN A 74 11.405 -3.648 6.002 1.00 32.23 C ATOM 1064 CD GLN A 74 12.071 -4.622 5.047 1.00 32.40 C ATOM 1065 OE1 GLN A 74 11.755 -5.810 5.035 1.00 24.13 O ATOM 1066 NE2 GLN A 74 12.996 -4.125 4.218 1.00 53.00 N ATOM 0 H GLN A 74 9.120 -3.420 7.595 1.00 1.25 H new ATOM 0 HA GLN A 74 10.268 -1.235 6.371 1.00 65.40 H new ATOM 0 HB2 GLN A 74 9.462 -3.868 5.116 1.00 22.34 H new ATOM 0 HB3 GLN A 74 10.473 -2.670 4.333 1.00 22.34 H new ATOM 0 HG2 GLN A 74 12.097 -2.853 6.279 1.00 32.23 H new ATOM 0 HG3 GLN A 74 11.116 -4.154 6.923 1.00 32.23 H new ATOM 0 HE21 GLN A 74 13.234 -3.134 4.255 1.00 53.00 H new ATOM 0 HE22 GLN A 74 13.463 -4.737 3.549 1.00 53.00 H new ATOM 1075 N ALA A 75 7.200 -1.990 5.216 1.00 73.04 N ATOM 1076 CA ALA A 75 6.080 -1.414 4.464 1.00 40.21 C ATOM 1077 C ALA A 75 5.849 0.011 4.868 1.00 2.11 C ATOM 1078 O ALA A 75 5.774 0.901 4.013 1.00 13.05 O ATOM 1079 CB ALA A 75 4.763 -2.144 4.649 1.00 13.21 C ATOM 0 H ALA A 75 6.994 -2.874 5.681 1.00 73.04 H new ATOM 0 HA ALA A 75 6.379 -1.503 3.420 1.00 40.21 H new ATOM 0 HB1 ALA A 75 3.989 -1.653 4.059 1.00 13.21 H new ATOM 0 HB2 ALA A 75 4.870 -3.177 4.319 1.00 13.21 H new ATOM 0 HB3 ALA A 75 4.482 -2.127 5.702 1.00 13.21 H new ATOM 1085 N VAL A 76 5.726 0.275 6.181 1.00 62.52 N ATOM 1086 CA VAL A 76 5.366 1.590 6.614 1.00 41.30 C ATOM 1087 C VAL A 76 6.551 2.527 6.456 1.00 15.22 C ATOM 1088 O VAL A 76 6.357 3.647 6.068 1.00 4.40 O ATOM 1089 CB VAL A 76 4.783 1.674 8.023 1.00 72.01 C ATOM 1090 CG1 VAL A 76 3.395 0.997 7.999 1.00 64.23 C ATOM 1091 CG2 VAL A 76 5.742 1.028 9.039 1.00 75.03 C ATOM 0 H VAL A 76 5.872 -0.404 6.928 1.00 62.52 H new ATOM 0 HA VAL A 76 4.548 1.901 5.965 1.00 41.30 H new ATOM 0 HB VAL A 76 4.663 2.710 8.339 1.00 72.01 H new ATOM 0 HG11 VAL A 76 2.952 1.041 8.994 1.00 64.23 H new ATOM 0 HG12 VAL A 76 2.749 1.516 7.291 1.00 64.23 H new ATOM 0 HG13 VAL A 76 3.503 -0.044 7.696 1.00 64.23 H new ATOM 0 HG21 VAL A 76 5.313 1.096 10.039 1.00 75.03 H new ATOM 0 HG22 VAL A 76 5.895 -0.020 8.780 1.00 75.03 H new ATOM 0 HG23 VAL A 76 6.699 1.550 9.019 1.00 75.03 H new ATOM 1101 N CYS A 77 7.825 2.083 6.770 1.00 44.21 N ATOM 1102 CA CYS A 77 8.953 3.102 6.734 1.00 35.33 C ATOM 1103 C CYS A 77 9.043 3.593 5.267 1.00 74.45 C ATOM 1104 O CYS A 77 9.538 4.655 4.956 1.00 22.41 O ATOM 1105 CB CYS A 77 10.347 2.498 7.131 1.00 31.01 C ATOM 1106 SG CYS A 77 11.727 3.731 7.051 1.00 2.11 S ATOM 0 H CYS A 77 8.083 1.130 7.026 1.00 44.21 H new ATOM 0 HA CYS A 77 8.734 3.893 7.452 1.00 35.33 H new ATOM 0 HB2 CYS A 77 10.286 2.095 8.142 1.00 31.01 H new ATOM 0 HB3 CYS A 77 10.576 1.663 6.469 1.00 31.01 H new ATOM 1111 N THR A 78 8.743 2.674 4.315 1.00 12.35 N ATOM 1112 CA THR A 78 8.884 2.995 2.913 1.00 22.40 C ATOM 1113 C THR A 78 7.784 3.975 2.537 1.00 54.00 C ATOM 1114 O THR A 78 8.032 4.944 1.852 1.00 41.14 O ATOM 1115 CB THR A 78 8.829 1.771 2.005 1.00 43.05 C ATOM 1116 OG1 THR A 78 9.698 0.749 2.511 1.00 42.21 O ATOM 1117 CG2 THR A 78 9.326 2.180 0.598 1.00 60.41 C ATOM 0 H THR A 78 8.410 1.729 4.508 1.00 12.35 H new ATOM 0 HA THR A 78 9.871 3.433 2.766 1.00 22.40 H new ATOM 0 HB THR A 78 7.807 1.395 1.964 1.00 43.05 H new ATOM 0 HG1 THR A 78 9.335 0.397 3.351 1.00 42.21 H new ATOM 0 HG21 THR A 78 9.293 1.315 -0.065 1.00 60.41 H new ATOM 0 HG22 THR A 78 8.685 2.967 0.200 1.00 60.41 H new ATOM 0 HG23 THR A 78 10.350 2.546 0.666 1.00 60.41 H new ATOM 1125 N LEU A 79 6.544 3.730 3.018 1.00 13.34 N ATOM 1126 CA LEU A 79 5.416 4.620 2.723 1.00 60.44 C ATOM 1127 C LEU A 79 5.614 5.946 3.448 1.00 23.02 C ATOM 1128 O LEU A 79 5.226 6.995 2.951 1.00 53.44 O ATOM 1129 CB LEU A 79 4.048 4.051 3.194 1.00 32.53 C ATOM 1130 CG LEU A 79 3.521 2.881 2.328 1.00 13.14 C ATOM 1131 CD1 LEU A 79 2.397 2.095 3.031 1.00 5.44 C ATOM 1132 CD2 LEU A 79 3.110 3.338 0.905 1.00 33.35 C ATOM 0 H LEU A 79 6.308 2.930 3.605 1.00 13.34 H new ATOM 0 HA LEU A 79 5.395 4.734 1.639 1.00 60.44 H new ATOM 0 HB2 LEU A 79 4.143 3.712 4.226 1.00 32.53 H new ATOM 0 HB3 LEU A 79 3.311 4.854 3.189 1.00 32.53 H new ATOM 0 HG LEU A 79 4.356 2.191 2.204 1.00 13.14 H new ATOM 0 HD11 LEU A 79 2.060 1.285 2.384 1.00 5.44 H new ATOM 0 HD12 LEU A 79 2.773 1.680 3.966 1.00 5.44 H new ATOM 0 HD13 LEU A 79 1.562 2.763 3.240 1.00 5.44 H new ATOM 0 HD21 LEU A 79 2.748 2.481 0.338 1.00 33.35 H new ATOM 0 HD22 LEU A 79 2.320 4.086 0.977 1.00 33.35 H new ATOM 0 HD23 LEU A 79 3.973 3.770 0.398 1.00 33.35 H new ATOM 1144 N ARG A 80 6.195 5.908 4.660 1.00 25.41 N ATOM 1145 CA ARG A 80 6.321 7.096 5.491 1.00 12.11 C ATOM 1146 C ARG A 80 7.344 8.000 4.842 1.00 14.33 C ATOM 1147 O ARG A 80 7.030 9.123 4.446 1.00 34.53 O ATOM 1148 CB ARG A 80 6.820 6.721 6.935 1.00 1.02 C ATOM 1149 CG ARG A 80 6.498 7.717 8.082 1.00 34.03 C ATOM 1150 CD ARG A 80 7.257 9.063 8.058 1.00 53.22 C ATOM 1151 NE ARG A 80 6.560 9.989 7.101 1.00 34.05 N ATOM 1152 CZ ARG A 80 5.477 10.765 7.490 1.00 61.54 C ATOM 1153 NH1 ARG A 80 4.968 10.685 8.755 1.00 35.55 N ATOM 1154 NH2 ARG A 80 4.918 11.606 6.596 1.00 21.32 N ATOM 0 H ARG A 80 6.582 5.062 5.077 1.00 25.41 H new ATOM 0 HA ARG A 80 5.351 7.584 5.579 1.00 12.11 H new ATOM 0 HB2 ARG A 80 6.393 5.754 7.199 1.00 1.02 H new ATOM 0 HB3 ARG A 80 7.902 6.591 6.895 1.00 1.02 H new ATOM 0 HG2 ARG A 80 5.429 7.928 8.061 1.00 34.03 H new ATOM 0 HG3 ARG A 80 6.707 7.224 9.031 1.00 34.03 H new ATOM 0 HD2 ARG A 80 7.284 9.500 9.056 1.00 53.22 H new ATOM 0 HD3 ARG A 80 8.291 8.909 7.750 1.00 53.22 H new ATOM 0 HE ARG A 80 6.892 10.049 6.138 1.00 34.05 H new ATOM 0 HH11 ARG A 80 5.384 10.047 9.433 1.00 35.55 H new ATOM 0 HH12 ARG A 80 4.172 11.264 9.022 1.00 35.55 H new ATOM 0 HH21 ARG A 80 5.292 11.665 5.649 1.00 21.32 H new ATOM 0 HH22 ARG A 80 4.122 12.183 6.867 1.00 21.32 H new ATOM 1168 N ASN A 81 8.602 7.503 4.724 1.00 34.25 N ATOM 1169 CA ASN A 81 9.708 8.278 4.116 1.00 12.21 C ATOM 1170 C ASN A 81 9.534 8.368 2.599 1.00 72.02 C ATOM 1171 O ASN A 81 10.400 7.959 1.830 1.00 3.42 O ATOM 1172 CB ASN A 81 11.110 7.677 4.418 1.00 35.51 C ATOM 1173 CG ASN A 81 12.186 8.706 4.051 1.00 33.32 C ATOM 1174 OD1 ASN A 81 11.885 9.883 3.804 1.00 74.34 O ATOM 1175 ND2 ASN A 81 13.452 8.273 4.021 1.00 13.25 N ATOM 0 H ASN A 81 8.872 6.572 5.041 1.00 34.25 H new ATOM 0 HA ASN A 81 9.660 9.269 4.567 1.00 12.21 H new ATOM 0 HB2 ASN A 81 11.187 7.413 5.473 1.00 35.51 H new ATOM 0 HB3 ASN A 81 11.257 6.760 3.848 1.00 35.51 H new ATOM 0 HD21 ASN A 81 14.207 8.919 3.789 1.00 13.25 H new ATOM 0 HD22 ASN A 81 13.662 7.297 4.230 1.00 13.25 H new ATOM 1182 N THR A 82 8.419 8.916 2.172 1.00 44.13 N ATOM 1183 CA THR A 82 8.140 9.170 0.788 1.00 62.15 C ATOM 1184 C THR A 82 8.353 10.645 0.550 1.00 13.41 C ATOM 1185 O THR A 82 8.798 11.381 1.449 1.00 44.01 O ATOM 1186 CB THR A 82 6.716 8.804 0.443 1.00 60.24 C ATOM 1187 OG1 THR A 82 5.816 9.199 1.508 1.00 53.54 O ATOM 1188 CG2 THR A 82 6.662 7.292 0.278 1.00 14.43 C ATOM 0 H THR A 82 7.666 9.202 2.798 1.00 44.13 H new ATOM 0 HA THR A 82 8.797 8.566 0.162 1.00 62.15 H new ATOM 0 HB THR A 82 6.410 9.315 -0.470 1.00 60.24 H new ATOM 0 HG1 THR A 82 5.521 8.404 1.999 1.00 53.54 H new ATOM 0 HG21 THR A 82 5.645 6.989 0.028 1.00 14.43 H new ATOM 0 HG22 THR A 82 7.338 6.989 -0.521 1.00 14.43 H new ATOM 0 HG23 THR A 82 6.964 6.813 1.210 1.00 14.43 H new ATOM 1196 N GLY A 83 8.054 11.102 -0.683 1.00 64.24 N ATOM 1197 CA GLY A 83 8.092 12.506 -0.997 1.00 61.21 C ATOM 1198 C GLY A 83 6.711 13.033 -0.731 1.00 33.34 C ATOM 1199 O GLY A 83 5.980 12.488 0.082 1.00 13.31 O ATOM 0 H GLY A 83 7.786 10.502 -1.463 1.00 64.24 H new ATOM 0 HA2 GLY A 83 8.830 13.022 -0.383 1.00 61.21 H new ATOM 0 HA3 GLY A 83 8.375 12.665 -2.038 1.00 61.21 H new ATOM 1203 N GLN A 84 6.341 14.122 -1.414 1.00 41.51 N ATOM 1204 CA GLN A 84 5.050 14.768 -1.215 1.00 12.02 C ATOM 1205 C GLN A 84 3.929 13.793 -1.543 1.00 23.42 C ATOM 1206 O GLN A 84 3.050 13.551 -0.714 1.00 2.45 O ATOM 1207 CB GLN A 84 4.908 16.035 -2.092 1.00 3.25 C ATOM 1208 CG GLN A 84 3.696 16.905 -1.746 1.00 52.23 C ATOM 1209 CD GLN A 84 3.827 18.213 -2.528 1.00 51.14 C ATOM 1210 OE1 GLN A 84 4.856 18.886 -2.459 1.00 4.40 O ATOM 1211 NE2 GLN A 84 2.792 18.580 -3.285 1.00 72.41 N ATOM 0 H GLN A 84 6.928 14.574 -2.115 1.00 41.51 H new ATOM 0 HA GLN A 84 4.985 15.070 -0.170 1.00 12.02 H new ATOM 0 HB2 GLN A 84 5.812 16.635 -1.993 1.00 3.25 H new ATOM 0 HB3 GLN A 84 4.839 15.734 -3.137 1.00 3.25 H new ATOM 0 HG2 GLN A 84 2.770 16.393 -2.008 1.00 52.23 H new ATOM 0 HG3 GLN A 84 3.659 17.102 -0.675 1.00 52.23 H new ATOM 0 HE21 GLN A 84 1.954 17.999 -3.320 1.00 72.41 H new ATOM 0 HE22 GLN A 84 2.838 19.441 -3.829 1.00 72.41 H new ATOM 1220 N VAL A 85 3.950 13.208 -2.732 1.00 41.13 N ATOM 1221 CA VAL A 85 2.976 12.228 -3.120 1.00 64.01 C ATOM 1222 C VAL A 85 3.720 10.915 -3.186 1.00 14.03 C ATOM 1223 O VAL A 85 4.938 10.899 -3.345 1.00 4.04 O ATOM 1224 CB VAL A 85 2.359 12.593 -4.472 1.00 33.30 C ATOM 1225 CG1 VAL A 85 1.441 11.490 -4.991 1.00 31.52 C ATOM 1226 CG2 VAL A 85 1.596 13.904 -4.257 1.00 70.11 C ATOM 0 H VAL A 85 4.649 13.408 -3.448 1.00 41.13 H new ATOM 0 HA VAL A 85 2.149 12.172 -2.412 1.00 64.01 H new ATOM 0 HB VAL A 85 3.132 12.710 -5.231 1.00 33.30 H new ATOM 0 HG11 VAL A 85 1.023 11.787 -5.953 1.00 31.52 H new ATOM 0 HG12 VAL A 85 2.011 10.569 -5.112 1.00 31.52 H new ATOM 0 HG13 VAL A 85 0.632 11.325 -4.279 1.00 31.52 H new ATOM 0 HG21 VAL A 85 1.133 14.213 -5.194 1.00 70.11 H new ATOM 0 HG22 VAL A 85 0.824 13.756 -3.502 1.00 70.11 H new ATOM 0 HG23 VAL A 85 2.288 14.677 -3.922 1.00 70.11 H new ATOM 1236 N VAL A 86 3.001 9.785 -2.998 1.00 33.41 N ATOM 1237 CA VAL A 86 3.619 8.485 -2.998 1.00 32.25 C ATOM 1238 C VAL A 86 3.210 7.839 -4.274 1.00 62.23 C ATOM 1239 O VAL A 86 2.050 7.930 -4.671 1.00 14.32 O ATOM 1240 CB VAL A 86 3.117 7.576 -1.871 1.00 2.40 C ATOM 1241 CG1 VAL A 86 3.978 6.284 -1.835 1.00 12.54 C ATOM 1242 CG2 VAL A 86 3.144 8.361 -0.558 1.00 51.20 C ATOM 0 H VAL A 86 1.992 9.771 -2.846 1.00 33.41 H new ATOM 0 HA VAL A 86 4.694 8.614 -2.871 1.00 32.25 H new ATOM 0 HB VAL A 86 2.087 7.262 -2.038 1.00 2.40 H new ATOM 0 HG11 VAL A 86 3.625 5.634 -1.035 1.00 12.54 H new ATOM 0 HG12 VAL A 86 3.894 5.764 -2.789 1.00 12.54 H new ATOM 0 HG13 VAL A 86 5.021 6.546 -1.656 1.00 12.54 H new ATOM 0 HG21 VAL A 86 2.789 7.725 0.253 1.00 51.20 H new ATOM 0 HG22 VAL A 86 4.164 8.682 -0.347 1.00 51.20 H new ATOM 0 HG23 VAL A 86 2.498 9.235 -0.643 1.00 51.20 H new ATOM 1252 N HIS A 87 4.145 7.140 -4.929 1.00 2.32 N ATOM 1253 CA HIS A 87 3.802 6.290 -6.034 1.00 13.51 C ATOM 1254 C HIS A 87 3.960 4.899 -5.498 1.00 45.04 C ATOM 1255 O HIS A 87 5.009 4.560 -4.966 1.00 1.44 O ATOM 1256 CB HIS A 87 4.742 6.466 -7.252 1.00 65.34 C ATOM 1257 CG HIS A 87 4.357 5.628 -8.443 1.00 2.54 C ATOM 1258 ND1 HIS A 87 4.723 4.313 -8.578 1.00 13.43 N ATOM 1259 CD2 HIS A 87 3.643 5.953 -9.538 1.00 52.44 C ATOM 1260 CE1 HIS A 87 4.248 3.865 -9.724 1.00 23.12 C ATOM 1261 NE2 HIS A 87 3.586 4.840 -10.322 1.00 51.52 N ATOM 0 H HIS A 87 5.139 7.158 -4.700 1.00 2.32 H new ATOM 0 HA HIS A 87 2.800 6.524 -6.393 1.00 13.51 H new ATOM 0 HB2 HIS A 87 4.749 7.516 -7.545 1.00 65.34 H new ATOM 0 HB3 HIS A 87 5.759 6.212 -6.954 1.00 65.34 H new ATOM 0 HD2 HIS A 87 3.200 6.914 -9.754 1.00 52.44 H new ATOM 0 HE1 HIS A 87 4.379 2.865 -10.110 1.00 23.12 H new ATOM 0 HE2 HIS A 87 3.111 4.771 -11.222 1.00 51.52 H new ATOM 1270 N LEU A 88 2.903 4.087 -5.578 1.00 32.31 N ATOM 1271 CA LEU A 88 2.966 2.784 -5.018 1.00 24.31 C ATOM 1272 C LEU A 88 1.990 1.925 -5.739 1.00 33.12 C ATOM 1273 O LEU A 88 0.886 2.359 -6.061 1.00 40.44 O ATOM 1274 CB LEU A 88 2.766 2.749 -3.472 1.00 52.34 C ATOM 1275 CG LEU A 88 1.453 3.367 -2.882 1.00 4.12 C ATOM 1276 CD1 LEU A 88 1.031 4.751 -3.423 1.00 53.14 C ATOM 1277 CD2 LEU A 88 0.314 2.386 -2.850 1.00 43.31 C ATOM 0 H LEU A 88 2.017 4.326 -6.023 1.00 32.31 H new ATOM 0 HA LEU A 88 3.976 2.397 -5.154 1.00 24.31 H new ATOM 0 HB2 LEU A 88 2.817 1.708 -3.153 1.00 52.34 H new ATOM 0 HB3 LEU A 88 3.611 3.264 -3.015 1.00 52.34 H new ATOM 0 HG LEU A 88 1.734 3.587 -1.852 1.00 4.12 H new ATOM 0 HD11 LEU A 88 0.109 5.066 -2.935 1.00 53.14 H new ATOM 0 HD12 LEU A 88 1.817 5.477 -3.217 1.00 53.14 H new ATOM 0 HD13 LEU A 88 0.869 4.687 -4.499 1.00 53.14 H new ATOM 0 HD21 LEU A 88 -0.570 2.868 -2.432 1.00 43.31 H new ATOM 0 HD22 LEU A 88 0.097 2.047 -3.863 1.00 43.31 H new ATOM 0 HD23 LEU A 88 0.588 1.531 -2.232 1.00 43.31 H new ATOM 1289 N LEU A 89 2.435 0.710 -6.138 1.00 53.55 N ATOM 1290 CA LEU A 89 1.594 -0.196 -6.886 1.00 53.15 C ATOM 1291 C LEU A 89 0.768 -0.968 -5.941 1.00 54.11 C ATOM 1292 O LEU A 89 1.221 -1.370 -4.859 1.00 61.44 O ATOM 1293 CB LEU A 89 2.392 -1.247 -7.708 1.00 52.01 C ATOM 1294 CG LEU A 89 2.953 -0.730 -9.037 1.00 15.14 C ATOM 1295 CD1 LEU A 89 3.727 0.584 -8.901 1.00 11.42 C ATOM 1296 CD2 LEU A 89 3.745 -1.806 -9.792 1.00 74.22 C ATOM 0 H LEU A 89 3.371 0.354 -5.945 1.00 53.55 H new ATOM 0 HA LEU A 89 1.014 0.425 -7.569 1.00 53.15 H new ATOM 0 HB2 LEU A 89 3.218 -1.613 -7.099 1.00 52.01 H new ATOM 0 HB3 LEU A 89 1.743 -2.099 -7.910 1.00 52.01 H new ATOM 0 HG LEU A 89 2.085 -0.491 -9.652 1.00 15.14 H new ATOM 0 HD11 LEU A 89 4.096 0.892 -9.879 1.00 11.42 H new ATOM 0 HD12 LEU A 89 3.068 1.355 -8.503 1.00 11.42 H new ATOM 0 HD13 LEU A 89 4.569 0.442 -8.224 1.00 11.42 H new ATOM 0 HD21 LEU A 89 4.122 -1.391 -10.727 1.00 74.22 H new ATOM 0 HD22 LEU A 89 4.582 -2.139 -9.179 1.00 74.22 H new ATOM 0 HD23 LEU A 89 3.094 -2.653 -10.007 1.00 74.22 H new ATOM 1308 N LEU A 90 -0.449 -1.231 -6.381 1.00 22.24 N ATOM 1309 CA LEU A 90 -1.362 -2.049 -5.639 1.00 45.03 C ATOM 1310 C LEU A 90 -1.625 -3.217 -6.521 1.00 43.11 C ATOM 1311 O LEU A 90 -1.420 -3.140 -7.737 1.00 41.11 O ATOM 1312 CB LEU A 90 -2.771 -1.428 -5.361 1.00 63.14 C ATOM 1313 CG LEU A 90 -2.849 0.104 -5.157 1.00 11.03 C ATOM 1314 CD1 LEU A 90 -2.057 0.624 -3.977 1.00 23.43 C ATOM 1315 CD2 LEU A 90 -2.580 0.904 -6.430 1.00 41.02 C ATOM 0 H LEU A 90 -0.822 -0.879 -7.263 1.00 22.24 H new ATOM 0 HA LEU A 90 -0.904 -2.239 -4.668 1.00 45.03 H new ATOM 0 HB2 LEU A 90 -3.424 -1.690 -6.193 1.00 63.14 H new ATOM 0 HB3 LEU A 90 -3.180 -1.907 -4.471 1.00 63.14 H new ATOM 0 HG LEU A 90 -3.894 0.275 -4.898 1.00 11.03 H new ATOM 0 HD11 LEU A 90 -2.170 1.706 -3.911 1.00 23.43 H new ATOM 0 HD12 LEU A 90 -2.426 0.164 -3.060 1.00 23.43 H new ATOM 0 HD13 LEU A 90 -1.004 0.376 -4.108 1.00 23.43 H new ATOM 0 HD21 LEU A 90 -2.651 1.970 -6.212 1.00 41.02 H new ATOM 0 HD22 LEU A 90 -1.580 0.675 -6.799 1.00 41.02 H new ATOM 0 HD23 LEU A 90 -3.316 0.639 -7.189 1.00 41.02 H new ATOM 1327 N GLU A 91 -2.153 -4.297 -5.953 1.00 53.35 N ATOM 1328 CA GLU A 91 -2.713 -5.340 -6.738 1.00 34.30 C ATOM 1329 C GLU A 91 -4.092 -5.443 -6.188 1.00 71.32 C ATOM 1330 O GLU A 91 -4.270 -5.360 -4.964 1.00 32.50 O ATOM 1331 CB GLU A 91 -2.037 -6.707 -6.527 1.00 14.34 C ATOM 1332 CG GLU A 91 -2.555 -7.811 -7.461 1.00 61.42 C ATOM 1333 CD GLU A 91 -2.035 -9.120 -6.945 1.00 61.54 C ATOM 1334 OE1 GLU A 91 -2.405 -9.488 -5.813 1.00 63.24 O ATOM 1335 OE2 GLU A 91 -1.234 -9.762 -7.618 1.00 20.32 O ATOM 0 H GLU A 91 -2.195 -4.453 -4.946 1.00 53.35 H new ATOM 0 HA GLU A 91 -2.619 -5.116 -7.801 1.00 34.30 H new ATOM 0 HB2 GLU A 91 -0.963 -6.596 -6.673 1.00 14.34 H new ATOM 0 HB3 GLU A 91 -2.187 -7.019 -5.494 1.00 14.34 H new ATOM 0 HG2 GLU A 91 -3.645 -7.814 -7.484 1.00 61.42 H new ATOM 0 HG3 GLU A 91 -2.215 -7.640 -8.482 1.00 61.42 H new ATOM 1342 N LYS A 92 -5.106 -5.589 -7.061 1.00 5.40 N ATOM 1343 CA LYS A 92 -6.480 -5.714 -6.590 1.00 45.42 C ATOM 1344 C LYS A 92 -6.602 -6.962 -5.763 1.00 32.30 C ATOM 1345 O LYS A 92 -5.947 -7.974 -6.041 1.00 63.41 O ATOM 1346 CB LYS A 92 -7.521 -5.820 -7.721 1.00 64.30 C ATOM 1347 CG LYS A 92 -7.622 -4.587 -8.595 1.00 32.14 C ATOM 1348 CD LYS A 92 -8.035 -3.321 -7.833 1.00 33.32 C ATOM 1349 CE LYS A 92 -9.418 -3.399 -7.173 1.00 32.23 C ATOM 1350 NZ LYS A 92 -9.624 -2.239 -6.294 1.00 41.23 N ATOM 0 H LYS A 92 -4.995 -5.622 -8.074 1.00 5.40 H new ATOM 0 HA LYS A 92 -6.687 -4.805 -6.025 1.00 45.42 H new ATOM 0 HB2 LYS A 92 -7.272 -6.676 -8.348 1.00 64.30 H new ATOM 0 HB3 LYS A 92 -8.498 -6.020 -7.282 1.00 64.30 H new ATOM 0 HG2 LYS A 92 -6.659 -4.413 -9.075 1.00 32.14 H new ATOM 0 HG3 LYS A 92 -8.345 -4.774 -9.389 1.00 32.14 H new ATOM 0 HD2 LYS A 92 -7.290 -3.116 -7.064 1.00 33.32 H new ATOM 0 HD3 LYS A 92 -8.022 -2.477 -8.522 1.00 33.32 H new ATOM 0 HE2 LYS A 92 -10.194 -3.428 -7.938 1.00 32.23 H new ATOM 0 HE3 LYS A 92 -9.504 -4.321 -6.598 1.00 32.23 H new ATOM 0 HZ1 LYS A 92 -10.492 -2.375 -5.737 1.00 41.23 H new ATOM 0 HZ2 LYS A 92 -8.812 -2.142 -5.651 1.00 41.23 H new ATOM 0 HZ3 LYS A 92 -9.714 -1.378 -6.871 1.00 41.23 H new ATOM 1364 N GLY A 93 -7.448 -6.901 -4.742 1.00 30.04 N ATOM 1365 CA GLY A 93 -7.676 -8.009 -3.867 1.00 74.01 C ATOM 1366 C GLY A 93 -9.148 -8.191 -3.836 1.00 41.20 C ATOM 1367 O GLY A 93 -9.836 -7.863 -4.818 1.00 73.33 O ATOM 0 H GLY A 93 -7.991 -6.070 -4.509 1.00 30.04 H new ATOM 0 HA2 GLY A 93 -7.177 -8.907 -4.232 1.00 74.01 H new ATOM 0 HA3 GLY A 93 -7.284 -7.809 -2.870 1.00 74.01 H new ATOM 1371 N GLN A 94 -9.669 -8.710 -2.691 1.00 34.34 N ATOM 1372 CA GLN A 94 -11.058 -9.086 -2.522 1.00 4.44 C ATOM 1373 C GLN A 94 -11.271 -10.419 -3.202 1.00 72.13 C ATOM 1374 O GLN A 94 -10.597 -10.749 -4.172 1.00 65.21 O ATOM 1375 CB GLN A 94 -12.115 -8.036 -2.976 1.00 70.12 C ATOM 1376 CG GLN A 94 -13.512 -8.263 -2.381 1.00 64.11 C ATOM 1377 CD GLN A 94 -14.401 -7.082 -2.766 1.00 74.24 C ATOM 1378 OE1 GLN A 94 -14.657 -6.192 -1.945 1.00 51.21 O ATOM 1379 NE2 GLN A 94 -14.875 -7.056 -4.024 1.00 74.22 N ATOM 0 H GLN A 94 -9.106 -8.873 -1.856 1.00 34.34 H new ATOM 0 HA GLN A 94 -11.232 -9.151 -1.448 1.00 4.44 H new ATOM 0 HB2 GLN A 94 -11.769 -7.041 -2.696 1.00 70.12 H new ATOM 0 HB3 GLN A 94 -12.187 -8.054 -4.064 1.00 70.12 H new ATOM 0 HG2 GLN A 94 -13.936 -9.194 -2.756 1.00 64.11 H new ATOM 0 HG3 GLN A 94 -13.452 -8.354 -1.296 1.00 64.11 H new ATOM 0 HE21 GLN A 94 -14.642 -7.808 -4.672 1.00 74.22 H new ATOM 0 HE22 GLN A 94 -15.467 -6.284 -4.330 1.00 74.22 H new ATOM 1388 N SER A 95 -12.177 -11.245 -2.648 1.00 14.25 N ATOM 1389 CA SER A 95 -12.417 -12.560 -3.200 1.00 64.43 C ATOM 1390 C SER A 95 -13.084 -12.389 -4.571 1.00 20.31 C ATOM 1391 O SER A 95 -14.061 -11.643 -4.719 1.00 43.13 O ATOM 1392 CB SER A 95 -13.327 -13.435 -2.317 1.00 25.31 C ATOM 1393 OG SER A 95 -12.812 -13.464 -0.979 1.00 42.54 O ATOM 0 H SER A 95 -12.741 -11.015 -1.829 1.00 14.25 H new ATOM 0 HA SER A 95 -11.455 -13.067 -3.269 1.00 64.43 H new ATOM 0 HB2 SER A 95 -14.343 -13.039 -2.318 1.00 25.31 H new ATOM 0 HB3 SER A 95 -13.379 -14.446 -2.720 1.00 25.31 H new ATOM 0 HG SER A 95 -13.392 -14.019 -0.417 1.00 42.54 H new ATOM 1399 N PRO A 96 -12.500 -13.039 -5.596 1.00 41.15 N ATOM 1400 CA PRO A 96 -12.911 -12.859 -6.975 1.00 42.22 C ATOM 1401 C PRO A 96 -14.281 -13.424 -7.204 1.00 34.14 C ATOM 1402 O PRO A 96 -14.678 -14.378 -6.519 1.00 22.35 O ATOM 1403 CB PRO A 96 -11.848 -13.626 -7.794 1.00 73.23 C ATOM 1404 CG PRO A 96 -11.268 -14.659 -6.813 1.00 23.11 C ATOM 1405 CD PRO A 96 -11.360 -13.953 -5.460 1.00 4.33 C ATOM 0 HA PRO A 96 -12.972 -11.808 -7.258 1.00 42.22 H new ATOM 0 HB2 PRO A 96 -12.292 -14.111 -8.663 1.00 73.23 H new ATOM 0 HB3 PRO A 96 -11.074 -12.954 -8.165 1.00 73.23 H new ATOM 0 HG2 PRO A 96 -11.840 -15.587 -6.822 1.00 23.11 H new ATOM 0 HG3 PRO A 96 -10.239 -14.917 -7.063 1.00 23.11 H new ATOM 0 HD2 PRO A 96 -11.518 -14.666 -4.651 1.00 4.33 H new ATOM 0 HD3 PRO A 96 -10.442 -13.411 -5.233 1.00 4.33 H new ATOM 1413 N THR A 97 -14.983 -12.843 -8.178 1.00 45.12 N ATOM 1414 CA THR A 97 -16.235 -13.343 -8.627 1.00 70.20 C ATOM 1415 C THR A 97 -15.889 -14.528 -9.560 1.00 31.44 C ATOM 1416 O THR A 97 -15.179 -14.301 -10.574 1.00 32.53 O ATOM 1417 CB THR A 97 -17.018 -12.311 -9.421 1.00 34.34 C ATOM 1418 OG1 THR A 97 -17.090 -11.086 -8.689 1.00 42.54 O ATOM 1419 CG2 THR A 97 -18.437 -12.855 -9.678 1.00 62.21 C ATOM 0 H THR A 97 -14.674 -12.003 -8.668 1.00 45.12 H new ATOM 0 HA THR A 97 -16.855 -13.622 -7.775 1.00 70.20 H new ATOM 0 HB THR A 97 -16.519 -12.120 -10.371 1.00 34.34 H new ATOM 0 HG1 THR A 97 -17.594 -10.425 -9.207 1.00 42.54 H new ATOM 0 HG21 THR A 97 -19.010 -12.123 -10.248 1.00 62.21 H new ATOM 0 HG22 THR A 97 -18.373 -13.785 -10.243 1.00 62.21 H new ATOM 0 HG23 THR A 97 -18.933 -13.042 -8.726 1.00 62.21 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -4.312 0.724 11.927 1.00 50.31 C HETATM 1429 C2 33B A 101 -2.838 0.720 12.393 1.00 41.54 C HETATM 1430 O2 33B A 101 -2.344 -0.301 12.883 1.00 53.00 O HETATM 1431 N3 33B A 101 -2.136 1.887 12.186 1.00 11.35 N HETATM 1432 C4 33B A 101 -0.626 2.100 12.393 1.00 13.43 C HETATM 1433 C5 33B A 101 0.213 1.075 12.935 1.00 41.31 C HETATM 1434 C6 33B A 101 0.013 3.338 11.944 1.00 62.31 C HETATM 1435 S6 33B A 101 -0.868 4.804 11.353 1.00 15.05 S HETATM 1436 C7 33B A 101 1.610 1.221 12.952 1.00 43.43 C HETATM 1437 C8 33B A 101 1.413 3.401 11.933 1.00 1.13 C HETATM 1438 C9 33B A 101 2.220 2.340 12.367 1.00 3.23 C HETATM 1439 N10 33B A 101 3.726 2.413 12.234 1.00 74.00 N HETATM 1440 N11 33B A 101 4.291 3.352 11.625 1.00 60.20 N HETATM 1441 C12 33B A 101 5.764 3.483 11.431 1.00 52.41 C HETATM 1442 C13 33B A 101 6.250 4.520 10.625 1.00 3.14 C HETATM 1443 C14 33B A 101 6.679 2.616 12.065 1.00 3.42 C HETATM 1444 C15 33B A 101 7.591 4.605 10.296 1.00 43.14 C HETATM 1445 C16 33B A 101 8.069 2.709 11.815 1.00 4.42 C HETATM 1446 C17 33B A 101 8.531 3.692 10.831 1.00 70.24 C HETATM 1447 S17 33B A 101 9.213 1.648 12.738 1.00 3.23 S HETATM 1448 N18 33B A 101 9.987 3.681 10.347 1.00 4.12 N HETATM 1449 C19 33B A 101 10.529 4.515 9.389 1.00 50.42 C HETATM 1450 O19 33B A 101 9.977 5.536 8.966 1.00 34.25 O HETATM 1451 C20 33B A 101 11.879 4.085 8.843 1.00 31.32 C HETATM 1452 O61 33B A 101 -2.248 4.415 11.285 1.00 53.24 O HETATM 1453 O62 33B A 101 -0.546 5.770 12.375 1.00 32.42 O HETATM 1454 O63 33B A 101 -0.221 5.036 10.077 1.00 45.22 O HETATM 1455 O71 33B A 101 9.847 0.869 11.702 1.00 45.32 O HETATM 1456 O72 33B A 101 10.069 2.632 13.378 1.00 5.41 O HETATM 1457 O73 33B A 101 8.346 0.906 13.647 1.00 62.43 O HETATM 0 HO72 33B A 101 10.745 2.174 13.920 1.00 5.41 H new HETATM 0 HO62 33B A 101 -0.974 6.626 12.163 1.00 32.42 H new HETATM 0 HN18 33B A 101 10.611 2.995 10.772 1.00 4.12 H new HETATM 0 HN3 33B A 101 -2.672 2.692 11.862 1.00 11.35 H new HETATM 0 H8 33B A 101 1.893 4.311 11.573 1.00 1.13 H new HETATM 0 H7 33B A 101 2.226 0.456 13.425 1.00 43.43 H new HETATM 0 H5 33B A 101 -0.238 0.169 13.340 1.00 41.31 H new HETATM 0 H15 33B A 101 7.929 5.386 9.615 1.00 43.14 H new HETATM 0 H14 33B A 101 6.309 1.862 12.759 1.00 3.42 H new HETATM 0 H13 33B A 101 5.559 5.274 10.250 1.00 3.14 H new