USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 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 95 SER OG : rot 25:sc= 0.591 USER MOD Set 1.2: A 97 THR OG1 : rot 115:sc= 0.694 USER MOD Set 2.1: A 54 HIS : no HE2:sc= -0.407 K(o=-0.56,f=-6.1!) USER MOD Set 2.2: A 94 GLN : amide:sc= -0.154 K(o=-0.56,f=-3.3) USER MOD Set 3.1: A 14 LYS NZ :NH3+ 155:sc= 2.43 (180deg=0.589) USER MOD Set 3.2: A 82 THR OG1 : rot -69:sc= 2.16 USER MOD Set 4.1: A 74 GLN : amide:sc= -0.0586 X(o=0.9,f=0.86) USER MOD Set 4.2: A 78 THR OG1 : rot 78:sc= 0.963 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.159 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0207) USER MOD Single : A 15 ASN : amide:sc= 0.0822 K(o=0.082,f=-2.1!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) 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= 0.883 K(o=0.88,f=-4.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -172:sc= -0.416 (180deg=-0.669) USER MOD Single : A 63 ASN : amide:sc= -0.412 K(o=-0.41,f=-2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 72 HIS : no HD1:sc=-0.00594 X(o=-0.0059,f=-0.038) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -0.12 (180deg=-1.51!) USER MOD Single : A 81 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.32) USER MOD Single : A 84 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.000848) USER MOD Single : A 101 33B O62 : rot -158:sc= 0.543 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.091 -2.897 -14.120 1.00 21.32 N ATOM 2 CA GLY A 1 -15.378 -2.264 -13.010 1.00 64.33 C ATOM 3 C GLY A 1 -14.076 -2.949 -12.826 1.00 43.43 C ATOM 4 O GLY A 1 -13.733 -3.894 -13.551 1.00 22.23 O ATOM 0 H1 GLY A 1 -16.434 -2.165 -14.775 1.00 21.32 H new ATOM 0 H2 GLY A 1 -15.447 -3.539 -14.625 1.00 21.32 H new ATOM 0 H3 GLY A 1 -16.899 -3.437 -13.750 1.00 21.32 H new ATOM 0 HA2 GLY A 1 -15.222 -1.205 -13.217 1.00 64.33 H new ATOM 0 HA3 GLY A 1 -15.970 -2.326 -12.097 1.00 64.33 H new ATOM 10 N PRO A 2 -13.314 -2.472 -11.842 1.00 44.11 N ATOM 11 CA PRO A 2 -12.027 -3.042 -11.501 1.00 52.13 C ATOM 12 C PRO A 2 -12.259 -4.413 -10.925 1.00 72.20 C ATOM 13 O PRO A 2 -13.023 -4.534 -9.958 1.00 50.10 O ATOM 14 CB PRO A 2 -11.443 -2.080 -10.454 1.00 43.24 C ATOM 15 CG PRO A 2 -12.674 -1.385 -9.830 1.00 44.34 C ATOM 16 CD PRO A 2 -13.684 -1.338 -10.985 1.00 65.05 C ATOM 0 HA PRO A 2 -11.350 -3.153 -12.348 1.00 52.13 H new ATOM 0 HB2 PRO A 2 -10.867 -2.617 -9.700 1.00 43.24 H new ATOM 0 HB3 PRO A 2 -10.770 -1.356 -10.913 1.00 43.24 H new ATOM 0 HG2 PRO A 2 -13.063 -1.945 -8.980 1.00 44.34 H new ATOM 0 HG3 PRO A 2 -12.431 -0.386 -9.469 1.00 44.34 H new ATOM 0 HD2 PRO A 2 -14.707 -1.432 -10.622 1.00 65.05 H new ATOM 0 HD3 PRO A 2 -13.624 -0.394 -11.527 1.00 65.05 H new ATOM 24 N LYS A 3 -11.625 -5.454 -11.486 1.00 1.14 N ATOM 25 CA LYS A 3 -11.810 -6.788 -10.958 1.00 11.43 C ATOM 26 C LYS A 3 -10.898 -6.897 -9.764 1.00 25.42 C ATOM 27 O LYS A 3 -9.910 -6.178 -9.656 1.00 62.44 O ATOM 28 CB LYS A 3 -11.402 -7.901 -11.962 1.00 64.42 C ATOM 29 CG LYS A 3 -12.246 -7.893 -13.236 1.00 15.23 C ATOM 30 CD LYS A 3 -11.918 -9.045 -14.198 1.00 60.34 C ATOM 31 CE LYS A 3 -12.794 -9.054 -15.463 1.00 45.32 C ATOM 32 NZ LYS A 3 -14.205 -9.373 -15.149 1.00 11.21 N ATOM 0 H LYS A 3 -10.996 -5.388 -12.287 1.00 1.14 H new ATOM 0 HA LYS A 3 -12.866 -6.929 -10.726 1.00 11.43 H new ATOM 0 HB2 LYS A 3 -10.352 -7.777 -12.227 1.00 64.42 H new ATOM 0 HB3 LYS A 3 -11.495 -8.873 -11.477 1.00 64.42 H new ATOM 0 HG2 LYS A 3 -13.300 -7.947 -12.964 1.00 15.23 H new ATOM 0 HG3 LYS A 3 -12.098 -6.945 -13.754 1.00 15.23 H new ATOM 0 HD2 LYS A 3 -10.870 -8.976 -14.491 1.00 60.34 H new ATOM 0 HD3 LYS A 3 -12.041 -9.993 -13.673 1.00 60.34 H new ATOM 0 HE2 LYS A 3 -12.741 -8.080 -15.950 1.00 45.32 H new ATOM 0 HE3 LYS A 3 -12.404 -9.786 -16.171 1.00 45.32 H new ATOM 0 HZ1 LYS A 3 -14.751 -9.437 -16.032 1.00 11.21 H new ATOM 0 HZ2 LYS A 3 -14.252 -10.282 -14.646 1.00 11.21 H new ATOM 0 HZ3 LYS A 3 -14.605 -8.624 -14.548 1.00 11.21 H new ATOM 46 N PRO A 4 -11.216 -7.808 -8.846 1.00 42.20 N ATOM 47 CA PRO A 4 -10.306 -8.152 -7.785 1.00 44.04 C ATOM 48 C PRO A 4 -9.112 -8.839 -8.409 1.00 13.51 C ATOM 49 O PRO A 4 -9.273 -9.578 -9.384 1.00 62.34 O ATOM 50 CB PRO A 4 -11.103 -9.098 -6.873 1.00 23.13 C ATOM 51 CG PRO A 4 -12.199 -9.686 -7.784 1.00 45.04 C ATOM 52 CD PRO A 4 -12.473 -8.563 -8.793 1.00 12.34 C ATOM 0 HA PRO A 4 -9.936 -7.300 -7.215 1.00 44.04 H new ATOM 0 HB2 PRO A 4 -10.467 -9.882 -6.462 1.00 23.13 H new ATOM 0 HB3 PRO A 4 -11.535 -8.563 -6.028 1.00 23.13 H new ATOM 0 HG2 PRO A 4 -11.862 -10.596 -8.280 1.00 45.04 H new ATOM 0 HG3 PRO A 4 -13.094 -9.944 -7.218 1.00 45.04 H new ATOM 0 HD2 PRO A 4 -12.738 -8.963 -9.772 1.00 12.34 H new ATOM 0 HD3 PRO A 4 -13.302 -7.933 -8.471 1.00 12.34 H new ATOM 60 N GLY A 5 -7.916 -8.559 -7.895 1.00 5.04 N ATOM 61 CA GLY A 5 -6.715 -9.207 -8.411 1.00 40.34 C ATOM 62 C GLY A 5 -6.244 -8.438 -9.609 1.00 34.44 C ATOM 63 O GLY A 5 -5.381 -8.899 -10.360 1.00 45.14 O ATOM 0 H GLY A 5 -7.755 -7.899 -7.134 1.00 5.04 H new ATOM 0 HA2 GLY A 5 -5.939 -9.232 -7.646 1.00 40.34 H new ATOM 0 HA3 GLY A 5 -6.928 -10.241 -8.683 1.00 40.34 H new ATOM 67 N ASP A 6 -6.811 -7.235 -9.805 1.00 60.24 N ATOM 68 CA ASP A 6 -6.429 -6.389 -10.912 1.00 13.30 C ATOM 69 C ASP A 6 -5.315 -5.571 -10.387 1.00 63.23 C ATOM 70 O ASP A 6 -5.368 -5.120 -9.250 1.00 74.50 O ATOM 71 CB ASP A 6 -7.557 -5.436 -11.388 1.00 73.44 C ATOM 72 CG ASP A 6 -7.076 -4.614 -12.558 1.00 63.52 C ATOM 73 OD1 ASP A 6 -6.430 -5.184 -13.456 1.00 41.50 O ATOM 74 OD2 ASP A 6 -7.369 -3.397 -12.600 1.00 65.53 O ATOM 0 H ASP A 6 -7.534 -6.841 -9.203 1.00 60.24 H new ATOM 0 HA ASP A 6 -6.177 -7.005 -11.775 1.00 13.30 H new ATOM 0 HB2 ASP A 6 -8.436 -6.014 -11.675 1.00 73.44 H new ATOM 0 HB3 ASP A 6 -7.859 -4.780 -10.572 1.00 73.44 H new ATOM 79 N ILE A 7 -4.260 -5.403 -11.174 1.00 43.43 N ATOM 80 CA ILE A 7 -3.106 -4.677 -10.728 1.00 15.23 C ATOM 81 C ILE A 7 -3.340 -3.292 -11.225 1.00 72.24 C ATOM 82 O ILE A 7 -3.710 -3.101 -12.381 1.00 32.30 O ATOM 83 CB ILE A 7 -1.766 -5.228 -11.287 1.00 42.52 C ATOM 84 CG1 ILE A 7 -1.367 -6.572 -10.607 1.00 34.30 C ATOM 85 CG2 ILE A 7 -0.656 -4.164 -11.116 1.00 35.10 C ATOM 86 CD1 ILE A 7 -2.271 -7.756 -10.939 1.00 34.12 C ATOM 0 H ILE A 7 -4.192 -5.766 -12.125 1.00 43.43 H new ATOM 0 HA ILE A 7 -3.000 -4.751 -9.646 1.00 15.23 H new ATOM 0 HB ILE A 7 -1.896 -5.439 -12.349 1.00 42.52 H new ATOM 0 HG12 ILE A 7 -0.346 -6.820 -10.898 1.00 34.30 H new ATOM 0 HG13 ILE A 7 -1.364 -6.428 -9.527 1.00 34.30 H new ATOM 0 HG21 ILE A 7 0.284 -4.552 -11.509 1.00 35.10 H new ATOM 0 HG22 ILE A 7 -0.931 -3.261 -11.660 1.00 35.10 H new ATOM 0 HG23 ILE A 7 -0.538 -3.929 -10.058 1.00 35.10 H new ATOM 0 HD11 ILE A 7 -1.912 -8.644 -10.419 1.00 34.12 H new ATOM 0 HD12 ILE A 7 -3.290 -7.536 -10.621 1.00 34.12 H new ATOM 0 HD13 ILE A 7 -2.257 -7.934 -12.014 1.00 34.12 H new ATOM 98 N PHE A 8 -3.179 -2.299 -10.350 1.00 44.12 N ATOM 99 CA PHE A 8 -3.464 -0.954 -10.724 1.00 2.24 C ATOM 100 C PHE A 8 -2.403 -0.091 -10.145 1.00 34.40 C ATOM 101 O PHE A 8 -1.808 -0.417 -9.109 1.00 60.33 O ATOM 102 CB PHE A 8 -4.885 -0.424 -10.311 1.00 44.21 C ATOM 103 CG PHE A 8 -5.121 -0.489 -8.807 1.00 62.43 C ATOM 104 CD1 PHE A 8 -5.153 -1.731 -8.106 1.00 74.20 C ATOM 105 CD2 PHE A 8 -5.381 0.699 -8.083 1.00 43.50 C ATOM 106 CE1 PHE A 8 -5.413 -1.762 -6.722 1.00 1.20 C ATOM 107 CE2 PHE A 8 -5.653 0.655 -6.700 1.00 24.10 C ATOM 108 CZ PHE A 8 -5.663 -0.571 -6.023 1.00 2.44 C ATOM 0 H PHE A 8 -2.855 -2.420 -9.391 1.00 44.12 H new ATOM 0 HA PHE A 8 -3.476 -0.923 -11.813 1.00 2.24 H new ATOM 0 HB2 PHE A 8 -4.996 0.607 -10.648 1.00 44.21 H new ATOM 0 HB3 PHE A 8 -5.650 -1.010 -10.821 1.00 44.21 H new ATOM 0 HD1 PHE A 8 -4.977 -2.653 -8.640 1.00 74.20 H new ATOM 0 HD2 PHE A 8 -5.371 1.650 -8.595 1.00 43.50 H new ATOM 0 HE1 PHE A 8 -5.420 -2.706 -6.197 1.00 1.20 H new ATOM 0 HE2 PHE A 8 -5.854 1.569 -6.161 1.00 24.10 H new ATOM 0 HZ PHE A 8 -5.863 -0.600 -4.962 1.00 2.44 H new ATOM 118 N GLU A 9 -2.121 1.029 -10.833 1.00 14.02 N ATOM 119 CA GLU A 9 -1.089 1.924 -10.418 1.00 14.54 C ATOM 120 C GLU A 9 -1.806 3.064 -9.776 1.00 40.42 C ATOM 121 O GLU A 9 -2.832 3.519 -10.290 1.00 71.13 O ATOM 122 CB GLU A 9 -0.275 2.540 -11.601 1.00 62.15 C ATOM 123 CG GLU A 9 0.445 1.526 -12.523 1.00 11.42 C ATOM 124 CD GLU A 9 -0.573 0.797 -13.373 1.00 62.31 C ATOM 125 OE1 GLU A 9 -1.468 1.468 -13.956 1.00 33.53 O ATOM 126 OE2 GLU A 9 -0.479 -0.443 -13.489 1.00 53.42 O ATOM 0 H GLU A 9 -2.611 1.315 -11.681 1.00 14.02 H new ATOM 0 HA GLU A 9 -0.389 1.379 -9.785 1.00 14.54 H new ATOM 0 HB2 GLU A 9 -0.952 3.139 -12.210 1.00 62.15 H new ATOM 0 HB3 GLU A 9 0.470 3.221 -11.189 1.00 62.15 H new ATOM 0 HG2 GLU A 9 1.161 2.044 -13.161 1.00 11.42 H new ATOM 0 HG3 GLU A 9 1.010 0.812 -11.924 1.00 11.42 H new ATOM 133 N VAL A 10 -1.303 3.533 -8.637 1.00 74.01 N ATOM 134 CA VAL A 10 -1.884 4.676 -7.991 1.00 34.52 C ATOM 135 C VAL A 10 -0.774 5.637 -7.807 1.00 34.01 C ATOM 136 O VAL A 10 0.313 5.254 -7.384 1.00 72.41 O ATOM 137 CB VAL A 10 -2.472 4.362 -6.619 1.00 23.52 C ATOM 138 CG1 VAL A 10 -3.194 5.622 -6.079 1.00 10.00 C ATOM 139 CG2 VAL A 10 -3.405 3.146 -6.763 1.00 73.34 C ATOM 0 H VAL A 10 -0.498 3.132 -8.155 1.00 74.01 H new ATOM 0 HA VAL A 10 -2.704 5.052 -8.603 1.00 34.52 H new ATOM 0 HB VAL A 10 -1.700 4.104 -5.894 1.00 23.52 H new ATOM 0 HG11 VAL A 10 -3.618 5.406 -5.098 1.00 10.00 H new ATOM 0 HG12 VAL A 10 -2.481 6.442 -5.994 1.00 10.00 H new ATOM 0 HG13 VAL A 10 -3.993 5.906 -6.765 1.00 10.00 H new ATOM 0 HG21 VAL A 10 -3.838 2.903 -5.793 1.00 73.34 H new ATOM 0 HG22 VAL A 10 -4.203 3.381 -7.468 1.00 73.34 H new ATOM 0 HG23 VAL A 10 -2.836 2.292 -7.131 1.00 73.34 H new ATOM 149 N GLU A 11 -1.008 6.911 -8.132 1.00 75.45 N ATOM 150 CA GLU A 11 -0.072 7.928 -7.787 1.00 4.34 C ATOM 151 C GLU A 11 -0.692 8.677 -6.676 1.00 51.44 C ATOM 152 O GLU A 11 -1.710 9.357 -6.849 1.00 13.22 O ATOM 153 CB GLU A 11 0.243 8.880 -8.938 1.00 43.31 C ATOM 154 CG GLU A 11 0.970 8.152 -10.062 1.00 41.13 C ATOM 155 CD GLU A 11 1.072 9.062 -11.235 1.00 61.32 C ATOM 156 OE1 GLU A 11 1.750 10.101 -11.129 1.00 3.20 O ATOM 157 OE2 GLU A 11 0.457 8.748 -12.280 1.00 61.41 O ATOM 0 H GLU A 11 -1.836 7.239 -8.629 1.00 75.45 H new ATOM 0 HA GLU A 11 0.881 7.471 -7.520 1.00 4.34 H new ATOM 0 HB2 GLU A 11 -0.681 9.315 -9.319 1.00 43.31 H new ATOM 0 HB3 GLU A 11 0.858 9.704 -8.576 1.00 43.31 H new ATOM 0 HG2 GLU A 11 1.964 7.847 -9.733 1.00 41.13 H new ATOM 0 HG3 GLU A 11 0.431 7.244 -10.334 1.00 41.13 H new ATOM 164 N LEU A 12 -0.117 8.510 -5.490 1.00 21.43 N ATOM 165 CA LEU A 12 -0.693 9.003 -4.301 1.00 50.14 C ATOM 166 C LEU A 12 0.071 10.219 -3.957 1.00 74.32 C ATOM 167 O LEU A 12 1.302 10.175 -3.823 1.00 44.34 O ATOM 168 CB LEU A 12 -0.532 7.969 -3.151 1.00 15.24 C ATOM 169 CG LEU A 12 -1.598 8.034 -2.050 1.00 14.10 C ATOM 170 CD1 LEU A 12 -1.390 9.176 -1.049 1.00 4.12 C ATOM 171 CD2 LEU A 12 -3.014 7.994 -2.632 1.00 12.04 C ATOM 0 H LEU A 12 0.768 8.021 -5.354 1.00 21.43 H new ATOM 0 HA LEU A 12 -1.757 9.201 -4.435 1.00 50.14 H new ATOM 0 HB2 LEU A 12 -0.541 6.968 -3.582 1.00 15.24 H new ATOM 0 HB3 LEU A 12 0.447 8.110 -2.693 1.00 15.24 H new ATOM 0 HG LEU A 12 -1.472 7.129 -1.455 1.00 14.10 H new ATOM 0 HD11 LEU A 12 -2.184 9.155 -0.302 1.00 4.12 H new ATOM 0 HD12 LEU A 12 -0.425 9.057 -0.556 1.00 4.12 H new ATOM 0 HD13 LEU A 12 -1.413 10.130 -1.576 1.00 4.12 H new ATOM 0 HD21 LEU A 12 -3.742 8.042 -1.822 1.00 12.04 H new ATOM 0 HD22 LEU A 12 -3.157 8.844 -3.299 1.00 12.04 H new ATOM 0 HD23 LEU A 12 -3.152 7.068 -3.190 1.00 12.04 H new ATOM 183 N ALA A 13 -0.634 11.359 -3.858 1.00 52.42 N ATOM 184 CA ALA A 13 0.016 12.595 -3.555 1.00 31.12 C ATOM 185 C ALA A 13 0.059 12.714 -2.071 1.00 71.10 C ATOM 186 O ALA A 13 -0.944 12.549 -1.393 1.00 3.51 O ATOM 187 CB ALA A 13 -0.704 13.835 -4.112 1.00 25.32 C ATOM 0 H ALA A 13 -1.644 11.426 -3.986 1.00 52.42 H new ATOM 0 HA ALA A 13 1.001 12.572 -4.020 1.00 31.12 H new ATOM 0 HB1 ALA A 13 -0.148 14.732 -3.839 1.00 25.32 H new ATOM 0 HB2 ALA A 13 -0.766 13.763 -5.198 1.00 25.32 H new ATOM 0 HB3 ALA A 13 -1.709 13.890 -3.694 1.00 25.32 H new ATOM 193 N LYS A 14 1.243 13.008 -1.550 1.00 24.24 N ATOM 194 CA LYS A 14 1.509 13.169 -0.141 1.00 10.12 C ATOM 195 C LYS A 14 1.200 14.617 0.207 1.00 25.31 C ATOM 196 O LYS A 14 1.885 15.222 1.010 1.00 35.00 O ATOM 197 CB LYS A 14 3.014 12.923 0.179 1.00 22.31 C ATOM 198 CG LYS A 14 3.294 12.423 1.597 1.00 53.22 C ATOM 199 CD LYS A 14 2.946 10.939 1.833 1.00 53.21 C ATOM 200 CE LYS A 14 3.663 9.928 0.891 1.00 72.51 C ATOM 201 NZ LYS A 14 5.142 10.107 0.889 1.00 12.20 N ATOM 0 H LYS A 14 2.073 13.145 -2.127 1.00 24.24 H new ATOM 0 HA LYS A 14 0.906 12.458 0.424 1.00 10.12 H new ATOM 0 HB2 LYS A 14 3.408 12.197 -0.532 1.00 22.31 H new ATOM 0 HB3 LYS A 14 3.561 13.852 0.022 1.00 22.31 H new ATOM 0 HG2 LYS A 14 4.350 12.575 1.820 1.00 53.22 H new ATOM 0 HG3 LYS A 14 2.728 13.032 2.302 1.00 53.22 H new ATOM 0 HD2 LYS A 14 3.191 10.685 2.864 1.00 53.21 H new ATOM 0 HD3 LYS A 14 1.869 10.813 1.721 1.00 53.21 H new ATOM 0 HE2 LYS A 14 3.423 8.911 1.203 1.00 72.51 H new ATOM 0 HE3 LYS A 14 3.283 10.048 -0.124 1.00 72.51 H new ATOM 0 HZ1 LYS A 14 5.600 9.212 0.621 1.00 12.20 H new ATOM 0 HZ2 LYS A 14 5.401 10.847 0.205 1.00 12.20 H new ATOM 0 HZ3 LYS A 14 5.459 10.387 1.839 1.00 12.20 H new ATOM 215 N ASN A 15 0.204 15.213 -0.486 1.00 45.03 N ATOM 216 CA ASN A 15 -0.091 16.649 -0.363 1.00 71.12 C ATOM 217 C ASN A 15 -0.713 16.903 0.990 1.00 60.13 C ATOM 218 O ASN A 15 -0.784 18.047 1.457 1.00 11.10 O ATOM 219 CB ASN A 15 -1.049 17.204 -1.469 1.00 24.23 C ATOM 220 CG ASN A 15 -2.410 16.508 -1.373 1.00 34.01 C ATOM 221 OD1 ASN A 15 -2.515 15.308 -1.594 1.00 75.11 O ATOM 222 ND2 ASN A 15 -3.466 17.262 -1.034 1.00 51.24 N ATOM 0 H ASN A 15 -0.407 14.717 -1.135 1.00 45.03 H new ATOM 0 HA ASN A 15 0.858 17.171 -0.484 1.00 71.12 H new ATOM 0 HB2 ASN A 15 -1.172 18.281 -1.350 1.00 24.23 H new ATOM 0 HB3 ASN A 15 -0.615 17.040 -2.455 1.00 24.23 H new ATOM 0 HD21 ASN A 15 -4.390 16.838 -0.954 1.00 51.24 H new ATOM 0 HD22 ASN A 15 -3.345 18.259 -0.856 1.00 51.24 H new ATOM 229 N ASP A 16 -1.155 15.817 1.662 1.00 2.42 N ATOM 230 CA ASP A 16 -1.632 15.912 3.026 1.00 53.52 C ATOM 231 C ASP A 16 -0.379 15.912 3.898 1.00 55.53 C ATOM 232 O ASP A 16 0.696 16.305 3.455 1.00 43.25 O ATOM 233 CB ASP A 16 -2.566 14.715 3.437 1.00 10.40 C ATOM 234 CG ASP A 16 -3.263 15.026 4.753 1.00 21.31 C ATOM 235 OD1 ASP A 16 -4.056 15.989 4.802 1.00 62.34 O ATOM 236 OD2 ASP A 16 -2.985 14.331 5.749 1.00 12.55 O ATOM 0 H ASP A 16 -1.184 14.876 1.269 1.00 2.42 H new ATOM 0 HA ASP A 16 -2.237 16.811 3.145 1.00 53.52 H new ATOM 0 HB2 ASP A 16 -3.306 14.537 2.657 1.00 10.40 H new ATOM 0 HB3 ASP A 16 -1.979 13.802 3.534 1.00 10.40 H new ATOM 241 N ASN A 17 -0.499 15.481 5.136 1.00 14.44 N ATOM 242 CA ASN A 17 0.633 15.390 6.031 1.00 74.14 C ATOM 243 C ASN A 17 0.736 13.953 6.355 1.00 1.33 C ATOM 244 O ASN A 17 1.826 13.380 6.430 1.00 4.10 O ATOM 245 CB ASN A 17 0.407 16.135 7.371 1.00 11.40 C ATOM 246 CG ASN A 17 0.238 17.619 7.090 1.00 35.12 C ATOM 247 OD1 ASN A 17 -0.861 18.166 7.237 1.00 71.33 O ATOM 248 ND2 ASN A 17 1.313 18.298 6.680 1.00 15.41 N ATOM 0 H ASN A 17 -1.383 15.184 5.549 1.00 14.44 H new ATOM 0 HA ASN A 17 1.510 15.829 5.556 1.00 74.14 H new ATOM 0 HB2 ASN A 17 -0.477 15.744 7.875 1.00 11.40 H new ATOM 0 HB3 ASN A 17 1.252 15.972 8.039 1.00 11.40 H new ATOM 0 HD21 ASN A 17 1.240 19.295 6.479 1.00 15.41 H new ATOM 0 HD22 ASN A 17 2.207 17.819 6.568 1.00 15.41 H new ATOM 255 N SER A 18 -0.439 13.321 6.550 1.00 52.04 N ATOM 256 CA SER A 18 -0.490 11.940 6.900 1.00 55.13 C ATOM 257 C SER A 18 -0.203 11.143 5.646 1.00 3.34 C ATOM 258 O SER A 18 -0.520 11.570 4.527 1.00 13.50 O ATOM 259 CB SER A 18 -1.872 11.512 7.442 1.00 35.05 C ATOM 260 OG SER A 18 -2.235 12.304 8.583 1.00 5.21 O ATOM 0 H SER A 18 -1.351 13.770 6.464 1.00 52.04 H new ATOM 0 HA SER A 18 0.240 11.760 7.689 1.00 55.13 H new ATOM 0 HB2 SER A 18 -2.625 11.623 6.662 1.00 35.05 H new ATOM 0 HB3 SER A 18 -1.850 10.457 7.717 1.00 35.05 H new ATOM 0 HG SER A 18 -3.114 12.020 8.912 1.00 5.21 H new ATOM 266 N LEU A 19 0.401 9.942 5.820 1.00 60.24 N ATOM 267 CA LEU A 19 0.760 9.074 4.692 1.00 45.51 C ATOM 268 C LEU A 19 -0.500 8.501 4.128 1.00 64.31 C ATOM 269 O LEU A 19 -0.543 8.033 3.001 1.00 2.32 O ATOM 270 CB LEU A 19 1.642 7.870 5.115 1.00 51.02 C ATOM 271 CG LEU A 19 2.954 8.265 5.822 1.00 60.54 C ATOM 272 CD1 LEU A 19 3.732 7.036 6.314 1.00 14.40 C ATOM 273 CD2 LEU A 19 3.826 9.221 4.990 1.00 15.32 C ATOM 0 H LEU A 19 0.646 9.560 6.734 1.00 60.24 H new ATOM 0 HA LEU A 19 1.317 9.683 3.980 1.00 45.51 H new ATOM 0 HB2 LEU A 19 1.064 7.226 5.779 1.00 51.02 H new ATOM 0 HB3 LEU A 19 1.882 7.281 4.230 1.00 51.02 H new ATOM 0 HG LEU A 19 2.664 8.832 6.707 1.00 60.54 H new ATOM 0 HD11 LEU A 19 4.649 7.359 6.806 1.00 14.40 H new ATOM 0 HD12 LEU A 19 3.119 6.476 7.021 1.00 14.40 H new ATOM 0 HD13 LEU A 19 3.981 6.399 5.465 1.00 14.40 H new ATOM 0 HD21 LEU A 19 4.734 9.460 5.544 1.00 15.32 H new ATOM 0 HD22 LEU A 19 4.091 8.744 4.047 1.00 15.32 H new ATOM 0 HD23 LEU A 19 3.271 10.138 4.789 1.00 15.32 H new ATOM 285 N GLY A 20 -1.559 8.542 4.938 1.00 22.35 N ATOM 286 CA GLY A 20 -2.834 7.967 4.577 1.00 44.44 C ATOM 287 C GLY A 20 -2.825 6.471 4.729 1.00 65.13 C ATOM 288 O GLY A 20 -3.841 5.894 5.017 1.00 60.12 O ATOM 0 H GLY A 20 -1.546 8.977 5.860 1.00 22.35 H new ATOM 0 HA2 GLY A 20 -3.617 8.393 5.204 1.00 44.44 H new ATOM 0 HA3 GLY A 20 -3.074 8.228 3.546 1.00 44.44 H new ATOM 292 N ILE A 21 -1.703 5.828 4.463 1.00 15.15 N ATOM 293 CA ILE A 21 -1.667 4.402 4.395 1.00 22.44 C ATOM 294 C ILE A 21 -0.889 3.939 5.596 1.00 74.21 C ATOM 295 O ILE A 21 -0.067 4.682 6.124 1.00 45.54 O ATOM 296 CB ILE A 21 -0.952 3.910 3.113 1.00 32.41 C ATOM 297 CG1 ILE A 21 -1.410 4.697 1.874 1.00 0.23 C ATOM 298 CG2 ILE A 21 -1.152 2.390 2.959 1.00 23.22 C ATOM 299 CD1 ILE A 21 -2.723 4.201 1.344 1.00 30.45 C ATOM 0 H ILE A 21 -0.807 6.285 4.292 1.00 15.15 H new ATOM 0 HA ILE A 21 -2.682 4.005 4.376 1.00 22.44 H new ATOM 0 HB ILE A 21 0.117 4.099 3.206 1.00 32.41 H new ATOM 0 HG12 ILE A 21 -1.498 5.753 2.128 1.00 0.23 H new ATOM 0 HG13 ILE A 21 -0.652 4.619 1.095 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.648 2.046 2.056 1.00 23.22 H new ATOM 0 HG22 ILE A 21 -0.733 1.878 3.826 1.00 23.22 H new ATOM 0 HG23 ILE A 21 -2.217 2.169 2.887 1.00 23.22 H new ATOM 0 HD11 ILE A 21 -3.007 4.786 0.469 1.00 30.45 H new ATOM 0 HD12 ILE A 21 -2.629 3.152 1.064 1.00 30.45 H new ATOM 0 HD13 ILE A 21 -3.488 4.304 2.113 1.00 30.45 H new ATOM 311 N CYS A 22 -1.105 2.672 5.995 1.00 23.43 N ATOM 312 CA CYS A 22 -0.189 2.000 6.880 1.00 23.41 C ATOM 313 C CYS A 22 -0.283 0.594 6.396 1.00 54.31 C ATOM 314 O CYS A 22 -1.210 0.261 5.660 1.00 74.33 O ATOM 315 CB CYS A 22 -0.653 1.977 8.367 1.00 13.41 C ATOM 316 SG CYS A 22 -0.854 3.637 9.081 1.00 23.31 S ATOM 0 H CYS A 22 -1.908 2.111 5.710 1.00 23.43 H new ATOM 0 HA CYS A 22 0.788 2.482 6.865 1.00 23.41 H new ATOM 0 HB2 CYS A 22 -1.600 1.441 8.437 1.00 13.41 H new ATOM 0 HB3 CYS A 22 0.073 1.420 8.959 1.00 13.41 H new ATOM 321 N VAL A 23 0.755 -0.216 6.634 1.00 33.31 N ATOM 322 CA VAL A 23 0.843 -1.478 5.934 1.00 11.50 C ATOM 323 C VAL A 23 1.198 -2.571 6.898 1.00 62.21 C ATOM 324 O VAL A 23 1.693 -2.334 8.009 1.00 14.52 O ATOM 325 CB VAL A 23 1.864 -1.465 4.800 1.00 40.45 C ATOM 326 CG1 VAL A 23 1.236 -0.733 3.592 1.00 44.42 C ATOM 327 CG2 VAL A 23 3.161 -0.791 5.301 1.00 74.32 C ATOM 0 H VAL A 23 1.516 -0.020 7.285 1.00 33.31 H new ATOM 0 HA VAL A 23 -0.136 -1.655 5.489 1.00 11.50 H new ATOM 0 HB VAL A 23 2.128 -2.473 4.480 1.00 40.45 H new ATOM 0 HG11 VAL A 23 1.950 -0.712 2.768 1.00 44.42 H new ATOM 0 HG12 VAL A 23 0.334 -1.258 3.277 1.00 44.42 H new ATOM 0 HG13 VAL A 23 0.981 0.288 3.877 1.00 44.42 H new ATOM 0 HG21 VAL A 23 3.897 -0.777 4.498 1.00 74.32 H new ATOM 0 HG22 VAL A 23 2.943 0.231 5.612 1.00 74.32 H new ATOM 0 HG23 VAL A 23 3.558 -1.351 6.148 1.00 74.32 H new ATOM 337 N THR A 24 0.911 -3.795 6.463 1.00 35.34 N ATOM 338 CA THR A 24 1.152 -4.975 7.214 1.00 11.14 C ATOM 339 C THR A 24 1.524 -5.981 6.156 1.00 31.01 C ATOM 340 O THR A 24 1.319 -5.718 4.987 1.00 34.11 O ATOM 341 CB THR A 24 -0.100 -5.438 7.999 1.00 31.34 C ATOM 342 OG1 THR A 24 0.178 -6.525 8.891 1.00 54.35 O ATOM 343 CG2 THR A 24 -1.246 -5.810 7.021 1.00 52.03 C ATOM 0 H THR A 24 0.493 -3.974 5.550 1.00 35.34 H new ATOM 0 HA THR A 24 1.920 -4.833 7.975 1.00 11.14 H new ATOM 0 HB THR A 24 -0.417 -4.598 8.617 1.00 31.34 H new ATOM 0 HG1 THR A 24 -0.642 -6.779 9.363 1.00 54.35 H new ATOM 0 HG21 THR A 24 -2.118 -6.133 7.589 1.00 52.03 H new ATOM 0 HG22 THR A 24 -1.507 -4.940 6.419 1.00 52.03 H new ATOM 0 HG23 THR A 24 -0.919 -6.619 6.367 1.00 52.03 H new ATOM 351 N GLY A 25 2.086 -7.140 6.537 1.00 41.21 N ATOM 352 CA GLY A 25 2.414 -8.156 5.551 1.00 43.14 C ATOM 353 C GLY A 25 3.841 -7.986 5.157 1.00 4.24 C ATOM 354 O GLY A 25 4.235 -6.928 4.770 1.00 51.45 O ATOM 0 H GLY A 25 2.315 -7.384 7.501 1.00 41.21 H new ATOM 0 HA2 GLY A 25 2.251 -9.152 5.964 1.00 43.14 H new ATOM 0 HA3 GLY A 25 1.766 -8.062 4.679 1.00 43.14 H new ATOM 358 N GLY A 26 4.665 -9.050 5.304 1.00 31.24 N ATOM 359 CA GLY A 26 5.989 -9.062 4.735 1.00 75.51 C ATOM 360 C GLY A 26 6.453 -10.506 4.582 1.00 73.23 C ATOM 361 O GLY A 26 5.889 -11.269 3.810 1.00 4.32 O ATOM 0 H GLY A 26 4.417 -9.898 5.814 1.00 31.24 H new ATOM 0 HA2 GLY A 26 5.986 -8.563 3.766 1.00 75.51 H new ATOM 0 HA3 GLY A 26 6.678 -8.511 5.375 1.00 75.51 H new ATOM 365 N VAL A 27 7.531 -10.882 5.337 1.00 21.14 N ATOM 366 CA VAL A 27 8.376 -12.100 5.126 1.00 34.35 C ATOM 367 C VAL A 27 7.671 -13.432 5.395 1.00 34.02 C ATOM 368 O VAL A 27 8.352 -14.403 5.689 1.00 4.55 O ATOM 369 CB VAL A 27 9.680 -12.085 5.919 1.00 24.12 C ATOM 370 CG1 VAL A 27 10.528 -10.924 5.401 1.00 32.25 C ATOM 371 CG2 VAL A 27 9.372 -12.000 7.434 1.00 51.24 C ATOM 0 H VAL A 27 7.845 -10.328 6.134 1.00 21.14 H new ATOM 0 HA VAL A 27 8.593 -12.040 4.060 1.00 34.35 H new ATOM 0 HB VAL A 27 10.249 -13.004 5.782 1.00 24.12 H new ATOM 0 HG11 VAL A 27 11.469 -10.887 5.950 1.00 32.25 H new ATOM 0 HG12 VAL A 27 10.732 -11.068 4.340 1.00 32.25 H new ATOM 0 HG13 VAL A 27 9.988 -9.988 5.543 1.00 32.25 H new ATOM 0 HG21 VAL A 27 10.306 -11.990 7.995 1.00 51.24 H new ATOM 0 HG22 VAL A 27 8.814 -11.087 7.641 1.00 51.24 H new ATOM 0 HG23 VAL A 27 8.778 -12.864 7.734 1.00 51.24 H new ATOM 381 N ASN A 28 6.337 -13.481 5.383 1.00 3.12 N ATOM 382 CA ASN A 28 5.557 -14.610 5.955 1.00 11.12 C ATOM 383 C ASN A 28 5.336 -14.286 7.389 1.00 13.33 C ATOM 384 O ASN A 28 5.784 -14.958 8.318 1.00 31.01 O ATOM 385 CB ASN A 28 6.122 -16.078 5.807 1.00 51.13 C ATOM 386 CG ASN A 28 5.088 -17.068 6.375 1.00 4.34 C ATOM 387 OD1 ASN A 28 3.931 -17.064 5.970 1.00 34.32 O ATOM 388 ND2 ASN A 28 5.503 -17.924 7.326 1.00 52.44 N ATOM 0 H ASN A 28 5.756 -12.746 4.980 1.00 3.12 H new ATOM 0 HA ASN A 28 4.650 -14.670 5.354 1.00 11.12 H new ATOM 0 HB2 ASN A 28 6.322 -16.301 4.759 1.00 51.13 H new ATOM 0 HB3 ASN A 28 7.068 -16.174 6.340 1.00 51.13 H new ATOM 0 HD21 ASN A 28 4.848 -18.594 7.730 1.00 52.44 H new ATOM 0 HD22 ASN A 28 6.472 -17.904 7.643 1.00 52.44 H new ATOM 395 N THR A 29 4.591 -13.218 7.531 1.00 2.03 N ATOM 396 CA THR A 29 3.970 -12.814 8.740 1.00 54.11 C ATOM 397 C THR A 29 2.618 -13.514 8.669 1.00 60.00 C ATOM 398 O THR A 29 2.459 -14.451 7.888 1.00 52.32 O ATOM 399 CB THR A 29 3.834 -11.291 8.860 1.00 3.11 C ATOM 400 OG1 THR A 29 3.296 -10.878 10.119 1.00 1.12 O ATOM 401 CG2 THR A 29 2.968 -10.760 7.717 1.00 73.33 C ATOM 0 H THR A 29 4.400 -12.582 6.757 1.00 2.03 H new ATOM 0 HA THR A 29 4.549 -13.082 9.624 1.00 54.11 H new ATOM 0 HB THR A 29 4.838 -10.871 8.796 1.00 3.11 H new ATOM 0 HG1 THR A 29 3.232 -9.900 10.143 1.00 1.12 H new ATOM 0 HG21 THR A 29 2.873 -9.678 7.805 1.00 73.33 H new ATOM 0 HG22 THR A 29 3.433 -11.007 6.763 1.00 73.33 H new ATOM 0 HG23 THR A 29 1.979 -11.216 7.767 1.00 73.33 H new ATOM 409 N SER A 30 1.658 -13.114 9.509 1.00 55.33 N ATOM 410 CA SER A 30 0.312 -13.688 9.561 1.00 53.11 C ATOM 411 C SER A 30 -0.269 -13.989 8.159 1.00 42.51 C ATOM 412 O SER A 30 -0.999 -14.962 7.992 1.00 54.12 O ATOM 413 CB SER A 30 -0.661 -12.735 10.276 1.00 12.11 C ATOM 414 OG SER A 30 -0.089 -12.308 11.520 1.00 72.22 O ATOM 0 H SER A 30 1.800 -12.365 10.187 1.00 55.33 H new ATOM 0 HA SER A 30 0.414 -14.625 10.108 1.00 53.11 H new ATOM 0 HB2 SER A 30 -0.870 -11.871 9.645 1.00 12.11 H new ATOM 0 HB3 SER A 30 -1.612 -13.237 10.455 1.00 12.11 H new ATOM 0 HG SER A 30 -0.709 -11.700 11.974 1.00 72.22 H new ATOM 420 N VAL A 31 0.064 -13.170 7.120 1.00 40.24 N ATOM 421 CA VAL A 31 -0.496 -13.398 5.813 1.00 71.12 C ATOM 422 C VAL A 31 0.478 -14.271 5.009 1.00 71.45 C ATOM 423 O VAL A 31 1.697 -14.067 5.015 1.00 22.33 O ATOM 424 CB VAL A 31 -0.841 -12.131 5.062 1.00 75.21 C ATOM 425 CG1 VAL A 31 -2.018 -11.460 5.812 1.00 5.04 C ATOM 426 CG2 VAL A 31 0.404 -11.219 4.964 1.00 30.24 C ATOM 0 H VAL A 31 0.701 -12.376 7.186 1.00 40.24 H new ATOM 0 HA VAL A 31 -1.449 -13.910 5.948 1.00 71.12 H new ATOM 0 HB VAL A 31 -1.146 -12.338 4.036 1.00 75.21 H new ATOM 0 HG11 VAL A 31 -2.298 -10.539 5.300 1.00 5.04 H new ATOM 0 HG12 VAL A 31 -2.871 -12.138 5.831 1.00 5.04 H new ATOM 0 HG13 VAL A 31 -1.715 -11.229 6.833 1.00 5.04 H new ATOM 0 HG21 VAL A 31 0.147 -10.309 4.422 1.00 30.24 H new ATOM 0 HG22 VAL A 31 0.745 -10.960 5.966 1.00 30.24 H new ATOM 0 HG23 VAL A 31 1.199 -11.744 4.435 1.00 30.24 H new ATOM 436 N ARG A 32 -0.097 -15.306 4.367 1.00 22.41 N ATOM 437 CA ARG A 32 0.635 -16.409 3.749 1.00 21.41 C ATOM 438 C ARG A 32 1.500 -15.939 2.602 1.00 21.44 C ATOM 439 O ARG A 32 2.713 -16.161 2.604 1.00 5.41 O ATOM 440 CB ARG A 32 -0.327 -17.516 3.235 1.00 44.41 C ATOM 441 CG ARG A 32 -1.169 -18.166 4.364 1.00 13.34 C ATOM 442 CD ARG A 32 -0.520 -19.414 5.004 1.00 23.05 C ATOM 443 NE ARG A 32 0.923 -19.108 5.334 1.00 61.14 N ATOM 444 CZ ARG A 32 1.972 -19.890 4.840 1.00 33.44 C ATOM 445 NH1 ARG A 32 1.720 -21.059 4.178 1.00 55.44 N ATOM 446 NH2 ARG A 32 3.254 -19.483 5.011 1.00 52.23 N ATOM 0 H ARG A 32 -1.108 -15.393 4.266 1.00 22.41 H new ATOM 0 HA ARG A 32 1.275 -16.822 4.528 1.00 21.41 H new ATOM 0 HB2 ARG A 32 -0.998 -17.088 2.490 1.00 44.41 H new ATOM 0 HB3 ARG A 32 0.254 -18.289 2.733 1.00 44.41 H new ATOM 0 HG2 ARG A 32 -1.346 -17.424 5.142 1.00 13.34 H new ATOM 0 HG3 ARG A 32 -2.143 -18.444 3.961 1.00 13.34 H new ATOM 0 HD2 ARG A 32 -1.060 -19.697 5.907 1.00 23.05 H new ATOM 0 HD3 ARG A 32 -0.578 -20.260 4.320 1.00 23.05 H new ATOM 0 HE ARG A 32 1.137 -18.310 5.933 1.00 61.14 H new ATOM 0 HH11 ARG A 32 0.758 -21.370 4.040 1.00 55.44 H new ATOM 0 HH12 ARG A 32 2.494 -21.621 3.822 1.00 55.44 H new ATOM 0 HH21 ARG A 32 3.451 -18.609 5.499 1.00 52.23 H new ATOM 0 HH22 ARG A 32 4.022 -20.051 4.652 1.00 52.23 H new ATOM 460 N HIS A 33 0.901 -15.299 1.573 1.00 61.12 N ATOM 461 CA HIS A 33 1.679 -14.949 0.368 1.00 42.54 C ATOM 462 C HIS A 33 2.473 -13.702 0.641 1.00 55.41 C ATOM 463 O HIS A 33 3.156 -13.183 -0.240 1.00 15.43 O ATOM 464 CB HIS A 33 0.833 -14.712 -0.903 1.00 52.43 C ATOM 465 CG HIS A 33 0.162 -15.964 -1.390 1.00 14.41 C ATOM 466 ND1 HIS A 33 -0.971 -16.463 -0.810 1.00 75.11 N ATOM 467 CD2 HIS A 33 0.524 -16.821 -2.368 1.00 40.31 C ATOM 468 CE1 HIS A 33 -1.290 -17.594 -1.429 1.00 14.14 C ATOM 469 NE2 HIS A 33 -0.394 -17.831 -2.375 1.00 74.24 N ATOM 0 H HIS A 33 -0.081 -15.024 1.551 1.00 61.12 H new ATOM 0 HA HIS A 33 2.312 -15.813 0.165 1.00 42.54 H new ATOM 0 HB2 HIS A 33 0.076 -13.955 -0.696 1.00 52.43 H new ATOM 0 HB3 HIS A 33 1.472 -14.316 -1.692 1.00 52.43 H new ATOM 0 HD2 HIS A 33 1.379 -16.726 -3.021 1.00 40.31 H new ATOM 0 HE1 HIS A 33 -2.141 -18.218 -1.199 1.00 14.14 H new ATOM 0 HE2 HIS A 33 -0.391 -18.634 -3.004 1.00 74.24 H new ATOM 478 N GLY A 34 2.427 -13.213 1.894 1.00 75.30 N ATOM 479 CA GLY A 34 3.206 -12.068 2.290 1.00 3.03 C ATOM 480 C GLY A 34 2.693 -10.875 1.566 1.00 24.34 C ATOM 481 O GLY A 34 3.459 -9.985 1.205 1.00 14.44 O ATOM 0 H GLY A 34 1.851 -13.608 2.638 1.00 75.30 H new ATOM 0 HA2 GLY A 34 3.136 -11.916 3.367 1.00 3.03 H new ATOM 0 HA3 GLY A 34 4.259 -12.228 2.058 1.00 3.03 H new ATOM 485 N GLY A 35 1.368 -10.838 1.304 1.00 41.45 N ATOM 486 CA GLY A 35 0.773 -9.694 0.667 1.00 12.31 C ATOM 487 C GLY A 35 0.968 -8.526 1.570 1.00 63.15 C ATOM 488 O GLY A 35 0.598 -8.583 2.735 1.00 24.12 O ATOM 0 H GLY A 35 0.716 -11.589 1.529 1.00 41.45 H new ATOM 0 HA2 GLY A 35 1.237 -9.511 -0.302 1.00 12.31 H new ATOM 0 HA3 GLY A 35 -0.288 -9.865 0.485 1.00 12.31 H new ATOM 492 N ILE A 36 1.583 -7.438 1.051 1.00 35.31 N ATOM 493 CA ILE A 36 1.791 -6.274 1.860 1.00 12.23 C ATOM 494 C ILE A 36 0.470 -5.541 1.823 1.00 64.12 C ATOM 495 O ILE A 36 0.202 -4.777 0.917 1.00 22.45 O ATOM 496 CB ILE A 36 2.896 -5.345 1.340 1.00 42.52 C ATOM 497 CG1 ILE A 36 4.170 -6.126 0.868 1.00 71.14 C ATOM 498 CG2 ILE A 36 3.190 -4.295 2.414 1.00 73.03 C ATOM 499 CD1 ILE A 36 4.813 -7.062 1.914 1.00 51.25 C ATOM 0 H ILE A 36 1.928 -7.367 0.094 1.00 35.31 H new ATOM 0 HA ILE A 36 2.113 -6.573 2.858 1.00 12.23 H new ATOM 0 HB ILE A 36 2.549 -4.837 0.440 1.00 42.52 H new ATOM 0 HG12 ILE A 36 3.905 -6.719 -0.008 1.00 71.14 H new ATOM 0 HG13 ILE A 36 4.919 -5.401 0.548 1.00 71.14 H new ATOM 0 HG21 ILE A 36 3.974 -3.624 2.062 1.00 73.03 H new ATOM 0 HG22 ILE A 36 2.286 -3.721 2.619 1.00 73.03 H new ATOM 0 HG23 ILE A 36 3.519 -4.791 3.327 1.00 73.03 H new ATOM 0 HD11 ILE A 36 5.685 -7.549 1.479 1.00 51.25 H new ATOM 0 HD12 ILE A 36 5.119 -6.480 2.784 1.00 51.25 H new ATOM 0 HD13 ILE A 36 4.090 -7.818 2.219 1.00 51.25 H new ATOM 511 N TYR A 37 -0.418 -5.842 2.762 1.00 3.12 N ATOM 512 CA TYR A 37 -1.753 -5.324 2.692 1.00 63.03 C ATOM 513 C TYR A 37 -1.753 -3.993 3.310 1.00 3.11 C ATOM 514 O TYR A 37 -1.052 -3.740 4.292 1.00 3.52 O ATOM 515 CB TYR A 37 -2.804 -6.168 3.458 1.00 41.14 C ATOM 516 CG TYR A 37 -2.966 -7.469 2.748 1.00 44.41 C ATOM 517 CD1 TYR A 37 -3.720 -7.541 1.558 1.00 65.11 C ATOM 518 CD2 TYR A 37 -2.368 -8.643 3.249 1.00 61.13 C ATOM 519 CE1 TYR A 37 -3.876 -8.759 0.884 1.00 44.13 C ATOM 520 CE2 TYR A 37 -2.513 -9.861 2.568 1.00 44.21 C ATOM 521 CZ TYR A 37 -3.268 -9.922 1.385 1.00 42.01 C ATOM 522 OH TYR A 37 -3.407 -11.146 0.706 1.00 13.15 O ATOM 0 H TYR A 37 -0.229 -6.437 3.568 1.00 3.12 H new ATOM 0 HA TYR A 37 -2.030 -5.325 1.638 1.00 63.03 H new ATOM 0 HB2 TYR A 37 -2.482 -6.334 4.486 1.00 41.14 H new ATOM 0 HB3 TYR A 37 -3.756 -5.639 3.504 1.00 41.14 H new ATOM 0 HD1 TYR A 37 -4.182 -6.648 1.163 1.00 65.11 H new ATOM 0 HD2 TYR A 37 -1.794 -8.605 4.163 1.00 61.13 H new ATOM 0 HE1 TYR A 37 -4.464 -8.804 -0.021 1.00 44.13 H new ATOM 0 HE2 TYR A 37 -2.043 -10.754 2.954 1.00 44.21 H new ATOM 0 HH TYR A 37 -2.921 -11.846 1.191 1.00 13.15 H new ATOM 532 N VAL A 38 -2.591 -3.107 2.773 1.00 23.33 N ATOM 533 CA VAL A 38 -2.889 -1.878 3.409 1.00 21.34 C ATOM 534 C VAL A 38 -3.634 -2.241 4.676 1.00 24.11 C ATOM 535 O VAL A 38 -4.601 -3.006 4.650 1.00 10.43 O ATOM 536 CB VAL A 38 -3.748 -0.990 2.527 1.00 5.35 C ATOM 537 CG1 VAL A 38 -4.228 0.222 3.316 1.00 71.23 C ATOM 538 CG2 VAL A 38 -2.917 -0.604 1.281 1.00 12.24 C ATOM 0 H VAL A 38 -3.070 -3.246 1.883 1.00 23.33 H new ATOM 0 HA VAL A 38 -1.978 -1.316 3.617 1.00 21.34 H new ATOM 0 HB VAL A 38 -4.644 -1.513 2.194 1.00 5.35 H new ATOM 0 HG11 VAL A 38 -4.843 0.853 2.675 1.00 71.23 H new ATOM 0 HG12 VAL A 38 -4.817 -0.110 4.171 1.00 71.23 H new ATOM 0 HG13 VAL A 38 -3.368 0.791 3.667 1.00 71.23 H new ATOM 0 HG21 VAL A 38 -3.513 0.035 0.630 1.00 12.24 H new ATOM 0 HG22 VAL A 38 -2.020 -0.069 1.593 1.00 12.24 H new ATOM 0 HG23 VAL A 38 -2.631 -1.506 0.741 1.00 12.24 H new ATOM 548 N LYS A 39 -3.133 -1.741 5.806 1.00 64.41 N ATOM 549 CA LYS A 39 -3.577 -2.173 7.098 1.00 31.54 C ATOM 550 C LYS A 39 -4.681 -1.267 7.493 1.00 22.14 C ATOM 551 O LYS A 39 -5.659 -1.675 8.117 1.00 54.30 O ATOM 552 CB LYS A 39 -2.448 -2.009 8.157 1.00 65.54 C ATOM 553 CG LYS A 39 -2.819 -2.515 9.573 1.00 10.13 C ATOM 554 CD LYS A 39 -1.790 -2.154 10.665 1.00 60.54 C ATOM 555 CE LYS A 39 -0.507 -2.990 10.643 1.00 51.33 C ATOM 556 NZ LYS A 39 0.427 -2.553 11.694 1.00 24.45 N ATOM 0 H LYS A 39 -2.407 -1.025 5.833 1.00 64.41 H new ATOM 0 HA LYS A 39 -3.875 -3.220 7.052 1.00 31.54 H new ATOM 0 HB2 LYS A 39 -1.564 -2.545 7.813 1.00 65.54 H new ATOM 0 HB3 LYS A 39 -2.177 -0.955 8.221 1.00 65.54 H new ATOM 0 HG2 LYS A 39 -3.788 -2.101 9.852 1.00 10.13 H new ATOM 0 HG3 LYS A 39 -2.933 -3.599 9.541 1.00 10.13 H new ATOM 0 HD2 LYS A 39 -1.523 -1.103 10.559 1.00 60.54 H new ATOM 0 HD3 LYS A 39 -2.263 -2.266 11.641 1.00 60.54 H new ATOM 0 HE2 LYS A 39 -0.752 -4.043 10.785 1.00 51.33 H new ATOM 0 HE3 LYS A 39 -0.029 -2.903 9.667 1.00 51.33 H new ATOM 0 HZ1 LYS A 39 1.288 -3.135 11.657 1.00 24.45 H new ATOM 0 HZ2 LYS A 39 0.677 -1.555 11.543 1.00 24.45 H new ATOM 0 HZ3 LYS A 39 -0.024 -2.660 12.625 1.00 24.45 H new ATOM 570 N ALA A 40 -4.521 0.004 7.158 1.00 74.20 N ATOM 571 CA ALA A 40 -5.425 0.989 7.608 1.00 51.34 C ATOM 572 C ALA A 40 -5.410 2.036 6.593 1.00 21.24 C ATOM 573 O ALA A 40 -4.411 2.213 5.885 1.00 75.02 O ATOM 574 CB ALA A 40 -4.997 1.663 8.936 1.00 14.01 C ATOM 0 H ALA A 40 -3.763 0.354 6.573 1.00 74.20 H new ATOM 0 HA ALA A 40 -6.392 0.515 7.773 1.00 51.34 H new ATOM 0 HB1 ALA A 40 -5.739 2.409 9.221 1.00 14.01 H new ATOM 0 HB2 ALA A 40 -4.922 0.909 9.719 1.00 14.01 H new ATOM 0 HB3 ALA A 40 -4.029 2.146 8.803 1.00 14.01 H new ATOM 580 N VAL A 41 -6.499 2.780 6.535 1.00 42.33 N ATOM 581 CA VAL A 41 -6.534 3.992 5.803 1.00 73.42 C ATOM 582 C VAL A 41 -6.634 5.011 6.891 1.00 63.11 C ATOM 583 O VAL A 41 -7.583 5.000 7.669 1.00 74.51 O ATOM 584 CB VAL A 41 -7.747 4.122 4.886 1.00 71.22 C ATOM 585 CG1 VAL A 41 -7.710 5.496 4.177 1.00 11.32 C ATOM 586 CG2 VAL A 41 -7.731 2.936 3.897 1.00 72.01 C ATOM 0 H VAL A 41 -7.375 2.544 7.001 1.00 42.33 H new ATOM 0 HA VAL A 41 -5.673 4.083 5.141 1.00 73.42 H new ATOM 0 HB VAL A 41 -8.681 4.082 5.447 1.00 71.22 H new ATOM 0 HG11 VAL A 41 -8.576 5.591 3.522 1.00 11.32 H new ATOM 0 HG12 VAL A 41 -7.731 6.291 4.923 1.00 11.32 H new ATOM 0 HG13 VAL A 41 -6.797 5.576 3.586 1.00 11.32 H new ATOM 0 HG21 VAL A 41 -8.590 3.007 3.230 1.00 72.01 H new ATOM 0 HG22 VAL A 41 -6.813 2.964 3.310 1.00 72.01 H new ATOM 0 HG23 VAL A 41 -7.779 1.999 4.452 1.00 72.01 H new ATOM 596 N ILE A 42 -5.625 5.876 7.011 1.00 4.20 N ATOM 597 CA ILE A 42 -5.592 6.874 8.054 1.00 33.15 C ATOM 598 C ILE A 42 -6.721 7.841 7.762 1.00 61.31 C ATOM 599 O ILE A 42 -6.878 8.293 6.616 1.00 21.54 O ATOM 600 CB ILE A 42 -4.296 7.598 8.099 1.00 43.02 C ATOM 601 CG1 ILE A 42 -3.194 6.583 8.434 1.00 65.43 C ATOM 602 CG2 ILE A 42 -4.346 8.793 9.096 1.00 14.41 C ATOM 603 CD1 ILE A 42 -1.869 7.207 8.340 1.00 22.40 C ATOM 0 H ILE A 42 -4.818 5.896 6.387 1.00 4.20 H new ATOM 0 HA ILE A 42 -5.707 6.396 9.027 1.00 33.15 H new ATOM 0 HB ILE A 42 -4.077 8.044 7.129 1.00 43.02 H new ATOM 0 HG12 ILE A 42 -3.347 6.191 9.440 1.00 65.43 H new ATOM 0 HG13 ILE A 42 -3.252 5.736 7.750 1.00 65.43 H new ATOM 0 HG21 ILE A 42 -3.381 9.301 9.104 1.00 14.41 H new ATOM 0 HG22 ILE A 42 -5.122 9.493 8.786 1.00 14.41 H new ATOM 0 HG23 ILE A 42 -4.570 8.423 10.097 1.00 14.41 H new ATOM 0 HD11 ILE A 42 -1.102 6.471 8.581 1.00 22.40 H new ATOM 0 HD12 ILE A 42 -1.712 7.576 7.327 1.00 22.40 H new ATOM 0 HD13 ILE A 42 -1.808 8.038 9.042 1.00 22.40 H new ATOM 615 N PRO A 43 -7.550 8.129 8.789 1.00 51.40 N ATOM 616 CA PRO A 43 -8.721 8.963 8.640 1.00 24.24 C ATOM 617 C PRO A 43 -8.309 10.322 8.148 1.00 64.05 C ATOM 618 O PRO A 43 -7.470 10.972 8.782 1.00 52.14 O ATOM 619 CB PRO A 43 -9.367 9.018 10.042 1.00 21.31 C ATOM 620 CG PRO A 43 -8.246 8.573 11.008 1.00 64.42 C ATOM 621 CD PRO A 43 -7.398 7.623 10.159 1.00 2.21 C ATOM 0 HA PRO A 43 -9.432 8.576 7.910 1.00 24.24 H new ATOM 0 HB2 PRO A 43 -9.717 10.023 10.278 1.00 21.31 H new ATOM 0 HB3 PRO A 43 -10.231 8.356 10.106 1.00 21.31 H new ATOM 0 HG2 PRO A 43 -7.663 9.422 11.364 1.00 64.42 H new ATOM 0 HG3 PRO A 43 -8.650 8.072 11.888 1.00 64.42 H new ATOM 0 HD2 PRO A 43 -6.354 7.633 10.473 1.00 2.21 H new ATOM 0 HD3 PRO A 43 -7.747 6.594 10.244 1.00 2.21 H new ATOM 629 N GLN A 44 -8.899 10.733 7.011 1.00 62.31 N ATOM 630 CA GLN A 44 -8.680 12.025 6.393 1.00 43.51 C ATOM 631 C GLN A 44 -7.280 12.124 5.844 1.00 14.14 C ATOM 632 O GLN A 44 -6.851 13.196 5.445 1.00 72.25 O ATOM 633 CB GLN A 44 -8.930 13.226 7.327 1.00 3.24 C ATOM 634 CG GLN A 44 -10.289 13.172 8.031 1.00 24.35 C ATOM 635 CD GLN A 44 -10.430 14.443 8.832 1.00 65.15 C ATOM 636 OE1 GLN A 44 -10.155 14.463 10.035 1.00 53.11 O ATOM 637 NE2 GLN A 44 -10.843 15.531 8.169 1.00 60.31 N ATOM 0 H GLN A 44 -9.557 10.150 6.494 1.00 62.31 H new ATOM 0 HA GLN A 44 -9.418 12.081 5.593 1.00 43.51 H new ATOM 0 HB2 GLN A 44 -8.141 13.264 8.078 1.00 3.24 H new ATOM 0 HB3 GLN A 44 -8.864 14.147 6.748 1.00 3.24 H new ATOM 0 HG2 GLN A 44 -11.096 13.085 7.303 1.00 24.35 H new ATOM 0 HG3 GLN A 44 -10.351 12.299 8.681 1.00 24.35 H new ATOM 0 HE21 GLN A 44 -11.060 15.470 7.174 1.00 60.31 H new ATOM 0 HE22 GLN A 44 -10.941 16.420 8.659 1.00 60.31 H new ATOM 646 N GLY A 45 -6.526 11.012 5.798 1.00 3.33 N ATOM 647 CA GLY A 45 -5.149 11.081 5.366 1.00 12.42 C ATOM 648 C GLY A 45 -5.113 11.238 3.874 1.00 54.41 C ATOM 649 O GLY A 45 -6.146 11.353 3.214 1.00 25.41 O ATOM 0 H GLY A 45 -6.852 10.080 6.052 1.00 3.33 H new ATOM 0 HA2 GLY A 45 -4.646 11.921 5.845 1.00 12.42 H new ATOM 0 HA3 GLY A 45 -4.616 10.178 5.663 1.00 12.42 H new ATOM 653 N ALA A 46 -3.880 11.216 3.302 1.00 2.02 N ATOM 654 CA ALA A 46 -3.674 11.450 1.876 1.00 4.24 C ATOM 655 C ALA A 46 -4.366 10.359 1.092 1.00 21.53 C ATOM 656 O ALA A 46 -4.866 10.588 -0.003 1.00 50.24 O ATOM 657 CB ALA A 46 -2.172 11.418 1.496 1.00 63.24 C ATOM 0 H ALA A 46 -3.021 11.037 3.822 1.00 2.02 H new ATOM 0 HA ALA A 46 -4.078 12.435 1.644 1.00 4.24 H new ATOM 0 HB1 ALA A 46 -2.063 11.597 0.426 1.00 63.24 H new ATOM 0 HB2 ALA A 46 -1.640 12.192 2.049 1.00 63.24 H new ATOM 0 HB3 ALA A 46 -1.754 10.443 1.745 1.00 63.24 H new ATOM 663 N ALA A 47 -4.403 9.143 1.672 1.00 72.14 N ATOM 664 CA ALA A 47 -4.993 7.987 1.019 1.00 34.23 C ATOM 665 C ALA A 47 -6.474 8.180 0.937 1.00 4.44 C ATOM 666 O ALA A 47 -7.060 7.952 -0.090 1.00 1.25 O ATOM 667 CB ALA A 47 -4.750 6.684 1.784 1.00 62.42 C ATOM 0 H ALA A 47 -4.025 8.949 2.599 1.00 72.14 H new ATOM 0 HA ALA A 47 -4.526 7.907 0.037 1.00 34.23 H new ATOM 0 HB1 ALA A 47 -5.214 5.856 1.248 1.00 62.42 H new ATOM 0 HB2 ALA A 47 -3.678 6.506 1.869 1.00 62.42 H new ATOM 0 HB3 ALA A 47 -5.185 6.761 2.780 1.00 62.42 H new ATOM 673 N GLU A 48 -7.104 8.614 2.059 1.00 23.41 N ATOM 674 CA GLU A 48 -8.561 8.785 2.101 1.00 4.05 C ATOM 675 C GLU A 48 -8.957 9.840 1.087 1.00 61.31 C ATOM 676 O GLU A 48 -9.996 9.731 0.438 1.00 4.14 O ATOM 677 CB GLU A 48 -9.108 9.231 3.485 1.00 42.55 C ATOM 678 CG GLU A 48 -10.652 9.230 3.544 1.00 5.55 C ATOM 679 CD GLU A 48 -11.091 9.815 4.855 1.00 32.10 C ATOM 680 OE1 GLU A 48 -10.827 9.200 5.904 1.00 34.01 O ATOM 681 OE2 GLU A 48 -11.701 10.905 4.846 1.00 73.11 O ATOM 0 H GLU A 48 -6.625 8.846 2.929 1.00 23.41 H new ATOM 0 HA GLU A 48 -8.989 7.807 1.883 1.00 4.05 H new ATOM 0 HB2 GLU A 48 -8.719 8.567 4.256 1.00 42.55 H new ATOM 0 HB3 GLU A 48 -8.740 10.232 3.711 1.00 42.55 H new ATOM 0 HG2 GLU A 48 -11.061 9.810 2.717 1.00 5.55 H new ATOM 0 HG3 GLU A 48 -11.032 8.214 3.439 1.00 5.55 H new ATOM 688 N SER A 49 -8.106 10.876 0.924 1.00 35.51 N ATOM 689 CA SER A 49 -8.404 11.979 0.029 1.00 54.42 C ATOM 690 C SER A 49 -8.465 11.435 -1.393 1.00 51.44 C ATOM 691 O SER A 49 -9.338 11.805 -2.177 1.00 31.01 O ATOM 692 CB SER A 49 -7.318 13.097 0.103 1.00 10.52 C ATOM 693 OG SER A 49 -7.782 14.321 -0.481 1.00 1.52 O ATOM 0 H SER A 49 -7.211 10.957 1.407 1.00 35.51 H new ATOM 0 HA SER A 49 -9.355 12.421 0.326 1.00 54.42 H new ATOM 0 HB2 SER A 49 -7.044 13.270 1.144 1.00 10.52 H new ATOM 0 HB3 SER A 49 -6.417 12.765 -0.413 1.00 10.52 H new ATOM 0 HG SER A 49 -7.079 15.001 -0.417 1.00 1.52 H new ATOM 699 N ASP A 50 -7.539 10.509 -1.723 1.00 71.33 N ATOM 700 CA ASP A 50 -7.497 9.908 -3.052 1.00 45.32 C ATOM 701 C ASP A 50 -8.657 8.932 -3.151 1.00 61.41 C ATOM 702 O ASP A 50 -9.438 8.966 -4.101 1.00 3.01 O ATOM 703 CB ASP A 50 -6.174 9.143 -3.314 1.00 71.21 C ATOM 704 CG ASP A 50 -6.160 8.615 -4.739 1.00 64.42 C ATOM 705 OD1 ASP A 50 -6.262 9.432 -5.699 1.00 62.01 O ATOM 706 OD2 ASP A 50 -6.046 7.401 -4.908 1.00 75.53 O ATOM 0 H ASP A 50 -6.819 10.170 -1.084 1.00 71.33 H new ATOM 0 HA ASP A 50 -7.564 10.703 -3.795 1.00 45.32 H new ATOM 0 HB2 ASP A 50 -5.323 9.804 -3.153 1.00 71.21 H new ATOM 0 HB3 ASP A 50 -6.075 8.317 -2.609 1.00 71.21 H new ATOM 711 N GLY A 51 -8.816 8.067 -2.130 1.00 44.21 N ATOM 712 CA GLY A 51 -9.957 7.159 -2.054 1.00 63.22 C ATOM 713 C GLY A 51 -9.753 5.933 -2.905 1.00 41.22 C ATOM 714 O GLY A 51 -10.466 4.942 -2.732 1.00 21.32 O ATOM 0 H GLY A 51 -8.163 7.985 -1.350 1.00 44.21 H new ATOM 0 HA2 GLY A 51 -10.115 6.860 -1.018 1.00 63.22 H new ATOM 0 HA3 GLY A 51 -10.858 7.680 -2.377 1.00 63.22 H new ATOM 718 N ARG A 52 -8.801 5.970 -3.863 1.00 42.12 N ATOM 719 CA ARG A 52 -8.651 4.873 -4.814 1.00 32.00 C ATOM 720 C ARG A 52 -8.043 3.708 -4.082 1.00 61.02 C ATOM 721 O ARG A 52 -8.352 2.562 -4.367 1.00 50.43 O ATOM 722 CB ARG A 52 -7.741 5.229 -6.013 1.00 51.20 C ATOM 723 CG ARG A 52 -7.712 4.188 -7.135 1.00 40.31 C ATOM 724 CD ARG A 52 -6.670 4.497 -8.228 1.00 11.41 C ATOM 725 NE ARG A 52 -7.116 5.671 -9.075 1.00 44.12 N ATOM 726 CZ ARG A 52 -6.608 6.963 -8.890 1.00 61.01 C ATOM 727 NH1 ARG A 52 -6.002 7.323 -7.714 1.00 72.23 N ATOM 728 NH2 ARG A 52 -6.718 7.877 -9.891 1.00 30.12 N ATOM 0 H ARG A 52 -8.141 6.738 -3.989 1.00 42.12 H new ATOM 0 HA ARG A 52 -9.638 4.643 -5.217 1.00 32.00 H new ATOM 0 HB2 ARG A 52 -8.070 6.181 -6.430 1.00 51.20 H new ATOM 0 HB3 ARG A 52 -6.725 5.376 -5.647 1.00 51.20 H new ATOM 0 HG2 ARG A 52 -7.499 3.209 -6.707 1.00 40.31 H new ATOM 0 HG3 ARG A 52 -8.700 4.129 -7.591 1.00 40.31 H new ATOM 0 HD2 ARG A 52 -5.707 4.719 -7.768 1.00 11.41 H new ATOM 0 HD3 ARG A 52 -6.527 3.620 -8.859 1.00 11.41 H new ATOM 0 HE ARG A 52 -7.811 5.515 -9.806 1.00 44.12 H new ATOM 0 HH11 ARG A 52 -5.915 6.645 -6.957 1.00 72.23 H new ATOM 0 HH12 ARG A 52 -5.638 8.268 -7.597 1.00 72.23 H new ATOM 0 HH21 ARG A 52 -7.168 7.620 -10.769 1.00 30.12 H new ATOM 0 HH22 ARG A 52 -6.350 8.820 -9.763 1.00 30.12 H new ATOM 742 N ILE A 53 -7.167 4.003 -3.106 1.00 14.21 N ATOM 743 CA ILE A 53 -6.545 2.964 -2.318 1.00 24.10 C ATOM 744 C ILE A 53 -7.512 2.651 -1.201 1.00 3.23 C ATOM 745 O ILE A 53 -8.110 3.567 -0.613 1.00 24.23 O ATOM 746 CB ILE A 53 -5.212 3.384 -1.731 1.00 24.33 C ATOM 747 CG1 ILE A 53 -4.304 3.921 -2.858 1.00 72.32 C ATOM 748 CG2 ILE A 53 -4.594 2.173 -0.982 1.00 30.24 C ATOM 749 CD1 ILE A 53 -2.969 4.452 -2.361 1.00 12.34 C ATOM 0 H ILE A 53 -6.885 4.951 -2.857 1.00 14.21 H new ATOM 0 HA ILE A 53 -6.336 2.103 -2.953 1.00 24.10 H new ATOM 0 HB ILE A 53 -5.334 4.191 -1.009 1.00 24.33 H new ATOM 0 HG12 ILE A 53 -4.123 3.124 -3.579 1.00 72.32 H new ATOM 0 HG13 ILE A 53 -4.828 4.717 -3.388 1.00 72.32 H new ATOM 0 HG21 ILE A 53 -3.634 2.461 -0.554 1.00 30.24 H new ATOM 0 HG22 ILE A 53 -5.266 1.857 -0.184 1.00 30.24 H new ATOM 0 HG23 ILE A 53 -4.447 1.349 -1.681 1.00 30.24 H new ATOM 0 HD11 ILE A 53 -2.383 4.813 -3.207 1.00 12.34 H new ATOM 0 HD12 ILE A 53 -3.140 5.271 -1.663 1.00 12.34 H new ATOM 0 HD13 ILE A 53 -2.425 3.653 -1.857 1.00 12.34 H new ATOM 761 N HIS A 54 -7.727 1.356 -0.925 1.00 22.40 N ATOM 762 CA HIS A 54 -8.698 0.942 0.057 1.00 1.25 C ATOM 763 C HIS A 54 -7.964 0.215 1.109 1.00 30.43 C ATOM 764 O HIS A 54 -6.844 -0.238 0.895 1.00 73.55 O ATOM 765 CB HIS A 54 -9.740 -0.061 -0.500 1.00 43.42 C ATOM 766 CG HIS A 54 -10.369 0.397 -1.779 1.00 70.32 C ATOM 767 ND1 HIS A 54 -9.704 0.334 -2.964 1.00 33.31 N ATOM 768 CD2 HIS A 54 -11.553 0.994 -2.011 1.00 12.55 C ATOM 769 CE1 HIS A 54 -10.461 0.879 -3.903 1.00 61.51 C ATOM 770 NE2 HIS A 54 -11.595 1.297 -3.345 1.00 22.41 N ATOM 0 H HIS A 54 -7.232 0.588 -1.378 1.00 22.40 H new ATOM 0 HA HIS A 54 -9.220 1.835 0.399 1.00 1.25 H new ATOM 0 HB2 HIS A 54 -9.257 -1.024 -0.664 1.00 43.42 H new ATOM 0 HB3 HIS A 54 -10.519 -0.218 0.246 1.00 43.42 H new ATOM 0 HD1 HIS A 54 -8.777 -0.066 -3.105 1.00 33.31 H new ATOM 0 HD2 HIS A 54 -12.324 1.196 -1.282 1.00 12.55 H new ATOM 0 HE1 HIS A 54 -10.202 0.969 -4.948 1.00 61.51 H new ATOM 779 N LYS A 55 -8.594 0.044 2.291 1.00 71.41 N ATOM 780 CA LYS A 55 -8.052 -0.842 3.296 1.00 10.24 C ATOM 781 C LYS A 55 -8.120 -2.237 2.735 1.00 1.41 C ATOM 782 O LYS A 55 -9.125 -2.631 2.158 1.00 25.44 O ATOM 783 CB LYS A 55 -8.876 -0.845 4.616 1.00 2.51 C ATOM 784 CG LYS A 55 -8.351 -1.824 5.689 1.00 32.43 C ATOM 785 CD LYS A 55 -9.376 -2.128 6.770 1.00 20.15 C ATOM 786 CE LYS A 55 -8.984 -3.316 7.660 1.00 63.43 C ATOM 787 NZ LYS A 55 -10.117 -3.732 8.507 1.00 24.33 N ATOM 0 H LYS A 55 -9.464 0.508 2.553 1.00 71.41 H new ATOM 0 HA LYS A 55 -7.042 -0.506 3.530 1.00 10.24 H new ATOM 0 HB2 LYS A 55 -8.880 0.163 5.031 1.00 2.51 H new ATOM 0 HB3 LYS A 55 -9.911 -1.098 4.385 1.00 2.51 H new ATOM 0 HG2 LYS A 55 -8.052 -2.755 5.208 1.00 32.43 H new ATOM 0 HG3 LYS A 55 -7.458 -1.403 6.151 1.00 32.43 H new ATOM 0 HD2 LYS A 55 -9.510 -1.244 7.394 1.00 20.15 H new ATOM 0 HD3 LYS A 55 -10.338 -2.336 6.301 1.00 20.15 H new ATOM 0 HE2 LYS A 55 -8.663 -4.152 7.038 1.00 63.43 H new ATOM 0 HE3 LYS A 55 -8.136 -3.042 8.288 1.00 63.43 H new ATOM 0 HZ1 LYS A 55 -9.794 -4.443 9.194 1.00 24.33 H new ATOM 0 HZ2 LYS A 55 -10.493 -2.906 9.015 1.00 24.33 H new ATOM 0 HZ3 LYS A 55 -10.864 -4.141 7.911 1.00 24.33 H new ATOM 801 N GLY A 56 -7.044 -3.007 2.917 1.00 70.13 N ATOM 802 CA GLY A 56 -7.057 -4.394 2.528 1.00 53.52 C ATOM 803 C GLY A 56 -6.503 -4.511 1.145 1.00 63.30 C ATOM 804 O GLY A 56 -6.246 -5.611 0.684 1.00 63.24 O ATOM 0 H GLY A 56 -6.168 -2.685 3.328 1.00 70.13 H new ATOM 0 HA2 GLY A 56 -6.463 -4.987 3.224 1.00 53.52 H new ATOM 0 HA3 GLY A 56 -8.073 -4.786 2.562 1.00 53.52 H new ATOM 808 N ASP A 57 -6.298 -3.361 0.441 1.00 40.21 N ATOM 809 CA ASP A 57 -5.710 -3.390 -0.904 1.00 31.32 C ATOM 810 C ASP A 57 -4.300 -3.864 -0.725 1.00 70.15 C ATOM 811 O ASP A 57 -3.675 -3.588 0.294 1.00 33.10 O ATOM 812 CB ASP A 57 -5.668 -1.990 -1.598 1.00 4.01 C ATOM 813 CG ASP A 57 -6.954 -1.758 -2.417 1.00 64.32 C ATOM 814 OD1 ASP A 57 -7.710 -2.724 -2.667 1.00 22.23 O ATOM 815 OD2 ASP A 57 -7.203 -0.585 -2.814 1.00 61.14 O ATOM 0 H ASP A 57 -6.530 -2.429 0.784 1.00 40.21 H new ATOM 0 HA ASP A 57 -6.319 -4.033 -1.539 1.00 31.32 H new ATOM 0 HB2 ASP A 57 -5.561 -1.208 -0.847 1.00 4.01 H new ATOM 0 HB3 ASP A 57 -4.797 -1.926 -2.250 1.00 4.01 H new ATOM 820 N ARG A 58 -3.790 -4.666 -1.675 1.00 34.02 N ATOM 821 CA ARG A 58 -2.530 -5.339 -1.463 1.00 42.42 C ATOM 822 C ARG A 58 -1.492 -4.600 -2.245 1.00 72.21 C ATOM 823 O ARG A 58 -1.589 -4.501 -3.446 1.00 60.44 O ATOM 824 CB ARG A 58 -2.578 -6.833 -1.921 1.00 25.44 C ATOM 825 CG ARG A 58 -1.407 -7.699 -1.418 1.00 2.31 C ATOM 826 CD ARG A 58 -0.161 -7.667 -2.312 1.00 72.03 C ATOM 827 NE ARG A 58 -0.470 -8.418 -3.580 1.00 75.51 N ATOM 828 CZ ARG A 58 0.533 -9.020 -4.316 1.00 41.03 C ATOM 829 NH1 ARG A 58 1.839 -8.965 -3.897 1.00 14.01 N ATOM 830 NH2 ARG A 58 0.214 -9.682 -5.451 1.00 5.41 N ATOM 0 H ARG A 58 -4.232 -4.852 -2.575 1.00 34.02 H new ATOM 0 HA ARG A 58 -2.299 -5.344 -0.398 1.00 42.42 H new ATOM 0 HB2 ARG A 58 -3.513 -7.275 -1.576 1.00 25.44 H new ATOM 0 HB3 ARG A 58 -2.593 -6.864 -3.010 1.00 25.44 H new ATOM 0 HG2 ARG A 58 -1.129 -7.366 -0.418 1.00 2.31 H new ATOM 0 HG3 ARG A 58 -1.747 -8.731 -1.328 1.00 2.31 H new ATOM 0 HD2 ARG A 58 0.118 -6.638 -2.538 1.00 72.03 H new ATOM 0 HD3 ARG A 58 0.687 -8.121 -1.799 1.00 72.03 H new ATOM 0 HE ARG A 58 -1.436 -8.484 -3.901 1.00 75.51 H new ATOM 0 HH11 ARG A 58 2.078 -8.476 -3.034 1.00 14.01 H new ATOM 0 HH12 ARG A 58 2.571 -9.413 -4.448 1.00 14.01 H new ATOM 0 HH21 ARG A 58 -0.758 -9.733 -5.756 1.00 5.41 H new ATOM 0 HH22 ARG A 58 0.945 -10.130 -6.003 1.00 5.41 H new ATOM 844 N VAL A 59 -0.460 -4.068 -1.562 1.00 70.24 N ATOM 845 CA VAL A 59 0.594 -3.339 -2.221 1.00 31.33 C ATOM 846 C VAL A 59 1.633 -4.369 -2.596 1.00 73.22 C ATOM 847 O VAL A 59 1.872 -5.320 -1.852 1.00 54.44 O ATOM 848 CB VAL A 59 1.261 -2.281 -1.321 1.00 13.13 C ATOM 849 CG1 VAL A 59 2.071 -1.290 -2.201 1.00 23.02 C ATOM 850 CG2 VAL A 59 0.170 -1.577 -0.477 1.00 11.50 C ATOM 0 H VAL A 59 -0.351 -4.140 -0.550 1.00 70.24 H new ATOM 0 HA VAL A 59 0.176 -2.801 -3.072 1.00 31.33 H new ATOM 0 HB VAL A 59 1.964 -2.745 -0.629 1.00 13.13 H new ATOM 0 HG11 VAL A 59 2.543 -0.541 -1.565 1.00 23.02 H new ATOM 0 HG12 VAL A 59 2.838 -1.835 -2.751 1.00 23.02 H new ATOM 0 HG13 VAL A 59 1.401 -0.797 -2.905 1.00 23.02 H new ATOM 0 HG21 VAL A 59 0.633 -0.826 0.163 1.00 11.50 H new ATOM 0 HG22 VAL A 59 -0.548 -1.095 -1.140 1.00 11.50 H new ATOM 0 HG23 VAL A 59 -0.344 -2.314 0.141 1.00 11.50 H new ATOM 860 N LEU A 60 2.241 -4.216 -3.771 1.00 50.32 N ATOM 861 CA LEU A 60 3.294 -5.120 -4.165 1.00 41.12 C ATOM 862 C LEU A 60 4.529 -4.309 -4.348 1.00 13.53 C ATOM 863 O LEU A 60 5.604 -4.687 -3.879 1.00 25.04 O ATOM 864 CB LEU A 60 3.030 -5.931 -5.468 1.00 12.40 C ATOM 865 CG LEU A 60 2.322 -5.183 -6.606 1.00 70.31 C ATOM 866 CD1 LEU A 60 2.693 -5.761 -7.957 1.00 42.42 C ATOM 867 CD2 LEU A 60 0.814 -5.155 -6.426 1.00 45.53 C ATOM 0 H LEU A 60 2.021 -3.486 -4.448 1.00 50.32 H new ATOM 0 HA LEU A 60 3.374 -5.868 -3.376 1.00 41.12 H new ATOM 0 HB2 LEU A 60 3.986 -6.297 -5.842 1.00 12.40 H new ATOM 0 HB3 LEU A 60 2.433 -6.806 -5.211 1.00 12.40 H new ATOM 0 HG LEU A 60 2.670 -4.151 -6.568 1.00 70.31 H new ATOM 0 HD11 LEU A 60 2.176 -5.210 -8.743 1.00 42.42 H new ATOM 0 HD12 LEU A 60 3.770 -5.679 -8.105 1.00 42.42 H new ATOM 0 HD13 LEU A 60 2.401 -6.810 -7.997 1.00 42.42 H new ATOM 0 HD21 LEU A 60 0.358 -4.615 -7.256 1.00 45.53 H new ATOM 0 HD22 LEU A 60 0.431 -6.175 -6.403 1.00 45.53 H new ATOM 0 HD23 LEU A 60 0.569 -4.655 -5.489 1.00 45.53 H new ATOM 879 N ALA A 61 4.416 -3.183 -5.058 1.00 53.13 N ATOM 880 CA ALA A 61 5.591 -2.414 -5.356 1.00 2.14 C ATOM 881 C ALA A 61 5.347 -0.993 -5.028 1.00 14.22 C ATOM 882 O ALA A 61 4.225 -0.558 -4.783 1.00 23.34 O ATOM 883 CB ALA A 61 6.052 -2.492 -6.828 1.00 64.31 C ATOM 0 H ALA A 61 3.541 -2.805 -5.421 1.00 53.13 H new ATOM 0 HA ALA A 61 6.385 -2.849 -4.749 1.00 2.14 H new ATOM 0 HB1 ALA A 61 6.945 -1.882 -6.962 1.00 64.31 H new ATOM 0 HB2 ALA A 61 6.278 -3.527 -7.084 1.00 64.31 H new ATOM 0 HB3 ALA A 61 5.259 -2.122 -7.478 1.00 64.31 H new ATOM 889 N VAL A 62 6.451 -0.259 -5.025 1.00 4.51 N ATOM 890 CA VAL A 62 6.457 1.144 -4.768 1.00 0.42 C ATOM 891 C VAL A 62 7.469 1.668 -5.722 1.00 0.53 C ATOM 892 O VAL A 62 8.638 1.404 -5.579 1.00 70.50 O ATOM 893 CB VAL A 62 6.864 1.524 -3.347 1.00 64.25 C ATOM 894 CG1 VAL A 62 6.852 3.070 -3.220 1.00 42.11 C ATOM 895 CG2 VAL A 62 5.888 0.831 -2.364 1.00 25.11 C ATOM 0 H VAL A 62 7.377 -0.645 -5.207 1.00 4.51 H new ATOM 0 HA VAL A 62 5.452 1.551 -4.884 1.00 0.42 H new ATOM 0 HB VAL A 62 7.873 1.189 -3.108 1.00 64.25 H new ATOM 0 HG11 VAL A 62 7.141 3.354 -2.208 1.00 42.11 H new ATOM 0 HG12 VAL A 62 7.556 3.499 -3.933 1.00 42.11 H new ATOM 0 HG13 VAL A 62 5.850 3.445 -3.430 1.00 42.11 H new ATOM 0 HG21 VAL A 62 6.159 1.088 -1.340 1.00 25.11 H new ATOM 0 HG22 VAL A 62 4.870 1.166 -2.565 1.00 25.11 H new ATOM 0 HG23 VAL A 62 5.947 -0.250 -2.494 1.00 25.11 H new ATOM 905 N ASN A 63 7.005 2.373 -6.758 1.00 41.32 N ATOM 906 CA ASN A 63 7.851 2.902 -7.842 1.00 73.10 C ATOM 907 C ASN A 63 8.754 1.812 -8.396 1.00 55.02 C ATOM 908 O ASN A 63 9.924 2.042 -8.707 1.00 51.12 O ATOM 909 CB ASN A 63 8.707 4.140 -7.432 1.00 1.34 C ATOM 910 CG ASN A 63 9.281 4.802 -8.695 1.00 12.44 C ATOM 911 OD1 ASN A 63 8.700 4.701 -9.787 1.00 12.14 O ATOM 912 ND2 ASN A 63 10.432 5.482 -8.559 1.00 12.43 N ATOM 0 H ASN A 63 6.017 2.598 -6.873 1.00 41.32 H new ATOM 0 HA ASN A 63 7.160 3.245 -8.612 1.00 73.10 H new ATOM 0 HB2 ASN A 63 8.095 4.853 -6.880 1.00 1.34 H new ATOM 0 HB3 ASN A 63 9.516 3.834 -6.769 1.00 1.34 H new ATOM 0 HD21 ASN A 63 10.855 5.936 -9.369 1.00 12.43 H new ATOM 0 HD22 ASN A 63 10.883 5.545 -7.646 1.00 12.43 H new ATOM 919 N GLY A 64 8.222 0.586 -8.531 1.00 53.10 N ATOM 920 CA GLY A 64 8.982 -0.489 -9.138 1.00 53.11 C ATOM 921 C GLY A 64 10.017 -1.000 -8.166 1.00 60.31 C ATOM 922 O GLY A 64 10.999 -1.621 -8.579 1.00 62.34 O ATOM 0 H GLY A 64 7.282 0.329 -8.229 1.00 53.10 H new ATOM 0 HA2 GLY A 64 8.313 -1.299 -9.430 1.00 53.11 H new ATOM 0 HA3 GLY A 64 9.468 -0.134 -10.047 1.00 53.11 H new ATOM 926 N VAL A 65 9.841 -0.744 -6.850 1.00 25.20 N ATOM 927 CA VAL A 65 10.689 -1.341 -5.854 1.00 4.35 C ATOM 928 C VAL A 65 9.889 -2.483 -5.333 1.00 60.02 C ATOM 929 O VAL A 65 8.771 -2.296 -4.851 1.00 44.35 O ATOM 930 CB VAL A 65 11.037 -0.412 -4.688 1.00 25.24 C ATOM 931 CG1 VAL A 65 11.862 -1.191 -3.630 1.00 64.33 C ATOM 932 CG2 VAL A 65 11.786 0.808 -5.256 1.00 23.14 C ATOM 0 H VAL A 65 9.117 -0.129 -6.478 1.00 25.20 H new ATOM 0 HA VAL A 65 11.646 -1.612 -6.300 1.00 4.35 H new ATOM 0 HB VAL A 65 10.142 -0.053 -4.180 1.00 25.24 H new ATOM 0 HG11 VAL A 65 12.109 -0.528 -2.801 1.00 64.33 H new ATOM 0 HG12 VAL A 65 11.277 -2.033 -3.260 1.00 64.33 H new ATOM 0 HG13 VAL A 65 12.781 -1.560 -4.085 1.00 64.33 H new ATOM 0 HG21 VAL A 65 12.045 1.486 -4.443 1.00 23.14 H new ATOM 0 HG22 VAL A 65 12.696 0.476 -5.756 1.00 23.14 H new ATOM 0 HG23 VAL A 65 11.147 1.326 -5.971 1.00 23.14 H new ATOM 942 N SER A 66 10.421 -3.694 -5.485 1.00 32.11 N ATOM 943 CA SER A 66 9.740 -4.881 -5.054 1.00 12.01 C ATOM 944 C SER A 66 9.716 -4.920 -3.558 1.00 52.03 C ATOM 945 O SER A 66 10.729 -5.200 -2.912 1.00 1.10 O ATOM 946 CB SER A 66 10.423 -6.157 -5.565 1.00 54.01 C ATOM 947 OG SER A 66 10.585 -6.066 -6.982 1.00 11.24 O ATOM 0 H SER A 66 11.333 -3.864 -5.910 1.00 32.11 H new ATOM 0 HA SER A 66 8.730 -4.847 -5.463 1.00 12.01 H new ATOM 0 HB2 SER A 66 11.393 -6.283 -5.083 1.00 54.01 H new ATOM 0 HB3 SER A 66 9.824 -7.032 -5.310 1.00 54.01 H new ATOM 0 HG SER A 66 11.022 -6.878 -7.314 1.00 11.24 H new ATOM 953 N LEU A 67 8.540 -4.646 -2.980 1.00 62.11 N ATOM 954 CA LEU A 67 8.349 -4.740 -1.556 1.00 35.12 C ATOM 955 C LEU A 67 7.883 -6.125 -1.269 1.00 4.23 C ATOM 956 O LEU A 67 7.800 -6.521 -0.131 1.00 63.05 O ATOM 957 CB LEU A 67 7.270 -3.770 -1.024 1.00 72.25 C ATOM 958 CG LEU A 67 7.851 -2.466 -0.455 1.00 11.41 C ATOM 959 CD1 LEU A 67 8.713 -2.723 0.795 1.00 21.25 C ATOM 960 CD2 LEU A 67 8.581 -1.613 -1.503 1.00 31.14 C ATOM 0 H LEU A 67 7.709 -4.356 -3.496 1.00 62.11 H new ATOM 0 HA LEU A 67 9.291 -4.486 -1.071 1.00 35.12 H new ATOM 0 HB2 LEU A 67 6.578 -3.529 -1.831 1.00 72.25 H new ATOM 0 HB3 LEU A 67 6.692 -4.271 -0.248 1.00 72.25 H new ATOM 0 HG LEU A 67 6.996 -1.867 -0.141 1.00 11.41 H new ATOM 0 HD11 LEU A 67 9.105 -1.777 1.167 1.00 21.25 H new ATOM 0 HD12 LEU A 67 8.103 -3.192 1.567 1.00 21.25 H new ATOM 0 HD13 LEU A 67 9.541 -3.383 0.536 1.00 21.25 H new ATOM 0 HD21 LEU A 67 8.965 -0.708 -1.032 1.00 31.14 H new ATOM 0 HD22 LEU A 67 9.409 -2.183 -1.923 1.00 31.14 H new ATOM 0 HD23 LEU A 67 7.887 -1.341 -2.298 1.00 31.14 H new ATOM 972 N GLU A 68 7.599 -6.919 -2.314 1.00 22.22 N ATOM 973 CA GLU A 68 7.244 -8.302 -2.101 1.00 43.43 C ATOM 974 C GLU A 68 8.458 -8.988 -1.519 1.00 5.31 C ATOM 975 O GLU A 68 9.598 -8.627 -1.843 1.00 32.25 O ATOM 976 CB GLU A 68 6.818 -9.034 -3.385 1.00 43.52 C ATOM 977 CG GLU A 68 5.620 -8.359 -4.072 1.00 51.51 C ATOM 978 CD GLU A 68 5.174 -9.239 -5.202 1.00 24.44 C ATOM 979 OE1 GLU A 68 5.936 -9.383 -6.191 1.00 55.32 O ATOM 980 OE2 GLU A 68 4.076 -9.821 -5.102 1.00 72.41 O ATOM 0 H GLU A 68 7.612 -6.621 -3.289 1.00 22.22 H new ATOM 0 HA GLU A 68 6.382 -8.333 -1.435 1.00 43.43 H new ATOM 0 HB2 GLU A 68 7.659 -9.068 -4.077 1.00 43.52 H new ATOM 0 HB3 GLU A 68 6.562 -10.066 -3.144 1.00 43.52 H new ATOM 0 HG2 GLU A 68 4.807 -8.211 -3.361 1.00 51.51 H new ATOM 0 HG3 GLU A 68 5.900 -7.374 -4.445 1.00 51.51 H new ATOM 987 N GLY A 69 8.239 -9.934 -0.600 1.00 2.31 N ATOM 988 CA GLY A 69 9.338 -10.599 0.087 1.00 23.01 C ATOM 989 C GLY A 69 9.868 -9.742 1.220 1.00 12.32 C ATOM 990 O GLY A 69 10.431 -10.269 2.170 1.00 15.20 O ATOM 0 H GLY A 69 7.311 -10.252 -0.319 1.00 2.31 H new ATOM 0 HA2 GLY A 69 8.999 -11.558 0.479 1.00 23.01 H new ATOM 0 HA3 GLY A 69 10.140 -10.809 -0.621 1.00 23.01 H new ATOM 994 N ALA A 70 9.761 -8.386 1.108 1.00 0.45 N ATOM 995 CA ALA A 70 10.355 -7.489 2.095 1.00 1.53 C ATOM 996 C ALA A 70 9.652 -7.644 3.408 1.00 60.30 C ATOM 997 O ALA A 70 8.651 -8.342 3.528 1.00 40.11 O ATOM 998 CB ALA A 70 10.295 -5.995 1.707 1.00 3.11 C ATOM 0 H ALA A 70 9.272 -7.913 0.348 1.00 0.45 H new ATOM 0 HA ALA A 70 11.405 -7.775 2.153 1.00 1.53 H new ATOM 0 HB1 ALA A 70 10.757 -5.396 2.492 1.00 3.11 H new ATOM 0 HB2 ALA A 70 10.831 -5.841 0.770 1.00 3.11 H new ATOM 0 HB3 ALA A 70 9.255 -5.692 1.584 1.00 3.11 H new ATOM 1004 N THR A 71 10.194 -6.993 4.436 1.00 34.23 N ATOM 1005 CA THR A 71 9.637 -7.080 5.738 1.00 75.53 C ATOM 1006 C THR A 71 8.494 -6.087 5.815 1.00 64.14 C ATOM 1007 O THR A 71 8.433 -5.120 5.049 1.00 32.43 O ATOM 1008 CB THR A 71 10.674 -6.797 6.814 1.00 0.10 C ATOM 1009 OG1 THR A 71 11.393 -5.595 6.517 1.00 14.40 O ATOM 1010 CG2 THR A 71 11.665 -7.980 6.832 1.00 24.10 C ATOM 0 H THR A 71 11.023 -6.402 4.367 1.00 34.23 H new ATOM 0 HA THR A 71 9.277 -8.093 5.917 1.00 75.53 H new ATOM 0 HB THR A 71 10.180 -6.676 7.778 1.00 0.10 H new ATOM 0 HG1 THR A 71 12.055 -5.427 7.220 1.00 14.40 H new ATOM 0 HG21 THR A 71 12.424 -7.807 7.595 1.00 24.10 H new ATOM 0 HG22 THR A 71 11.128 -8.901 7.056 1.00 24.10 H new ATOM 0 HG23 THR A 71 12.145 -8.068 5.857 1.00 24.10 H new ATOM 1018 N HIS A 72 7.542 -6.336 6.743 1.00 33.41 N ATOM 1019 CA HIS A 72 6.393 -5.472 6.877 1.00 52.14 C ATOM 1020 C HIS A 72 6.872 -4.144 7.354 1.00 14.41 C ATOM 1021 O HIS A 72 6.403 -3.123 6.901 1.00 2.34 O ATOM 1022 CB HIS A 72 5.267 -6.001 7.801 1.00 22.40 C ATOM 1023 CG HIS A 72 5.620 -6.171 9.255 1.00 43.14 C ATOM 1024 ND1 HIS A 72 5.463 -5.173 10.184 1.00 3.13 N ATOM 1025 CD2 HIS A 72 6.040 -7.258 9.908 1.00 44.40 C ATOM 1026 CE1 HIS A 72 5.799 -5.659 11.376 1.00 72.34 C ATOM 1027 NE2 HIS A 72 6.141 -6.930 11.225 1.00 61.13 N ATOM 0 H HIS A 72 7.563 -7.122 7.393 1.00 33.41 H new ATOM 0 HA HIS A 72 5.927 -5.414 5.894 1.00 52.14 H new ATOM 0 HB2 HIS A 72 4.420 -5.319 7.732 1.00 22.40 H new ATOM 0 HB3 HIS A 72 4.933 -6.964 7.415 1.00 22.40 H new ATOM 0 HD2 HIS A 72 6.259 -8.221 9.471 1.00 44.40 H new ATOM 0 HE1 HIS A 72 5.794 -5.111 12.307 1.00 72.34 H new ATOM 0 HE2 HIS A 72 6.432 -7.559 11.973 1.00 61.13 H new ATOM 1036 N LYS A 73 7.887 -4.138 8.258 1.00 23.42 N ATOM 1037 CA LYS A 73 8.480 -2.889 8.695 1.00 53.20 C ATOM 1038 C LYS A 73 9.079 -2.145 7.504 1.00 54.20 C ATOM 1039 O LYS A 73 8.936 -0.945 7.418 1.00 1.23 O ATOM 1040 CB LYS A 73 9.545 -3.037 9.814 1.00 24.53 C ATOM 1041 CG LYS A 73 10.738 -3.942 9.460 1.00 72.21 C ATOM 1042 CD LYS A 73 11.714 -4.206 10.625 1.00 52.25 C ATOM 1043 CE LYS A 73 12.701 -3.052 10.919 1.00 55.41 C ATOM 1044 NZ LYS A 73 12.046 -1.904 11.580 1.00 54.12 N ATOM 0 H LYS A 73 8.290 -4.975 8.679 1.00 23.42 H new ATOM 0 HA LYS A 73 7.663 -2.316 9.135 1.00 53.20 H new ATOM 0 HB2 LYS A 73 9.922 -2.047 10.069 1.00 24.53 H new ATOM 0 HB3 LYS A 73 9.060 -3.433 10.706 1.00 24.53 H new ATOM 0 HG2 LYS A 73 10.357 -4.897 9.099 1.00 72.21 H new ATOM 0 HG3 LYS A 73 11.290 -3.487 8.637 1.00 72.21 H new ATOM 0 HD2 LYS A 73 11.135 -4.409 11.526 1.00 52.25 H new ATOM 0 HD3 LYS A 73 12.286 -5.107 10.404 1.00 52.25 H new ATOM 0 HE2 LYS A 73 13.508 -3.420 11.553 1.00 55.41 H new ATOM 0 HE3 LYS A 73 13.155 -2.719 9.986 1.00 55.41 H new ATOM 0 HZ1 LYS A 73 12.718 -1.448 12.230 1.00 54.12 H new ATOM 0 HZ2 LYS A 73 11.740 -1.218 10.861 1.00 54.12 H new ATOM 0 HZ3 LYS A 73 11.219 -2.237 12.115 1.00 54.12 H new ATOM 1058 N GLN A 74 9.740 -2.856 6.525 1.00 4.24 N ATOM 1059 CA GLN A 74 10.328 -2.179 5.358 1.00 22.12 C ATOM 1060 C GLN A 74 9.228 -1.543 4.555 1.00 73.23 C ATOM 1061 O GLN A 74 9.400 -0.456 4.005 1.00 42.42 O ATOM 1062 CB GLN A 74 11.097 -3.156 4.410 1.00 11.05 C ATOM 1063 CG GLN A 74 11.724 -2.494 3.157 1.00 30.40 C ATOM 1064 CD GLN A 74 12.695 -1.410 3.611 1.00 1.51 C ATOM 1065 OE1 GLN A 74 13.629 -1.679 4.359 1.00 11.42 O ATOM 1066 NE2 GLN A 74 12.476 -0.166 3.161 1.00 52.32 N ATOM 0 H GLN A 74 9.866 -3.868 6.537 1.00 4.24 H new ATOM 0 HA GLN A 74 11.037 -1.446 5.743 1.00 22.12 H new ATOM 0 HB2 GLN A 74 11.888 -3.643 4.980 1.00 11.05 H new ATOM 0 HB3 GLN A 74 10.411 -3.938 4.084 1.00 11.05 H new ATOM 0 HG2 GLN A 74 12.244 -3.240 2.556 1.00 30.40 H new ATOM 0 HG3 GLN A 74 10.945 -2.064 2.527 1.00 30.40 H new ATOM 0 HE21 GLN A 74 11.689 0.020 2.540 1.00 52.32 H new ATOM 0 HE22 GLN A 74 13.097 0.594 3.440 1.00 52.32 H new ATOM 1075 N ALA A 75 8.058 -2.204 4.473 1.00 60.33 N ATOM 1076 CA ALA A 75 6.928 -1.654 3.741 1.00 10.11 C ATOM 1077 C ALA A 75 6.543 -0.309 4.354 1.00 32.40 C ATOM 1078 O ALA A 75 6.196 0.628 3.637 1.00 63.22 O ATOM 1079 CB ALA A 75 5.700 -2.573 3.765 1.00 72.11 C ATOM 0 H ALA A 75 7.882 -3.111 4.905 1.00 60.33 H new ATOM 0 HA ALA A 75 7.239 -1.545 2.702 1.00 10.11 H new ATOM 0 HB1 ALA A 75 4.889 -2.111 3.203 1.00 72.11 H new ATOM 0 HB2 ALA A 75 5.954 -3.532 3.313 1.00 72.11 H new ATOM 0 HB3 ALA A 75 5.383 -2.730 4.796 1.00 72.11 H new ATOM 1085 N VAL A 76 6.653 -0.181 5.701 1.00 71.40 N ATOM 1086 CA VAL A 76 6.347 1.074 6.374 1.00 53.01 C ATOM 1087 C VAL A 76 7.423 2.064 5.989 1.00 10.15 C ATOM 1088 O VAL A 76 7.120 3.166 5.513 1.00 42.43 O ATOM 1089 CB VAL A 76 6.329 0.953 7.901 1.00 50.12 C ATOM 1090 CG1 VAL A 76 5.944 2.320 8.511 1.00 1.12 C ATOM 1091 CG2 VAL A 76 5.359 -0.176 8.287 1.00 11.40 C ATOM 0 H VAL A 76 6.950 -0.933 6.323 1.00 71.40 H new ATOM 0 HA VAL A 76 5.349 1.387 6.067 1.00 53.01 H new ATOM 0 HB VAL A 76 7.311 0.694 8.298 1.00 50.12 H new ATOM 0 HG11 VAL A 76 5.929 2.242 9.598 1.00 1.12 H new ATOM 0 HG12 VAL A 76 6.675 3.071 8.211 1.00 1.12 H new ATOM 0 HG13 VAL A 76 4.956 2.612 8.155 1.00 1.12 H new ATOM 0 HG21 VAL A 76 5.332 -0.278 9.372 1.00 11.40 H new ATOM 0 HG22 VAL A 76 4.360 0.061 7.920 1.00 11.40 H new ATOM 0 HG23 VAL A 76 5.696 -1.113 7.843 1.00 11.40 H new ATOM 1101 N CYS A 77 8.726 1.660 6.201 1.00 74.22 N ATOM 1102 CA CYS A 77 9.898 2.589 5.982 1.00 23.03 C ATOM 1103 C CYS A 77 9.785 3.182 4.574 1.00 54.33 C ATOM 1104 O CYS A 77 10.397 4.159 4.243 1.00 41.53 O ATOM 1105 CB CYS A 77 11.249 1.834 6.035 1.00 4.23 C ATOM 1106 SG CYS A 77 11.490 0.897 7.580 1.00 64.32 S ATOM 0 H CYS A 77 8.986 0.725 6.514 1.00 74.22 H new ATOM 0 HA CYS A 77 9.873 3.346 6.766 1.00 23.03 H new ATOM 0 HB2 CYS A 77 11.308 1.149 5.189 1.00 4.23 H new ATOM 0 HB3 CYS A 77 12.063 2.550 5.922 1.00 4.23 H new ATOM 1111 N THR A 78 9.171 2.409 3.669 1.00 12.20 N ATOM 1112 CA THR A 78 9.123 2.770 2.280 1.00 35.41 C ATOM 1113 C THR A 78 8.227 3.971 2.142 1.00 50.52 C ATOM 1114 O THR A 78 8.654 4.983 1.649 1.00 12.22 O ATOM 1115 CB THR A 78 8.629 1.648 1.401 1.00 3.12 C ATOM 1116 OG1 THR A 78 9.525 0.543 1.527 1.00 70.51 O ATOM 1117 CG2 THR A 78 8.603 2.127 -0.068 1.00 64.24 C ATOM 0 H THR A 78 8.704 1.530 3.893 1.00 12.20 H new ATOM 0 HA THR A 78 10.136 2.994 1.946 1.00 35.41 H new ATOM 0 HB THR A 78 7.625 1.348 1.700 1.00 3.12 H new ATOM 0 HG1 THR A 78 9.341 0.066 2.363 1.00 70.51 H new ATOM 0 HG21 THR A 78 8.247 1.320 -0.708 1.00 64.24 H new ATOM 0 HG22 THR A 78 7.936 2.984 -0.160 1.00 64.24 H new ATOM 0 HG23 THR A 78 9.608 2.416 -0.374 1.00 64.24 H new ATOM 1125 N LEU A 79 6.964 3.866 2.614 1.00 35.34 N ATOM 1126 CA LEU A 79 5.988 4.960 2.491 1.00 32.31 C ATOM 1127 C LEU A 79 6.592 6.221 3.069 1.00 41.22 C ATOM 1128 O LEU A 79 6.721 7.223 2.390 1.00 54.45 O ATOM 1129 CB LEU A 79 4.675 4.659 3.243 1.00 34.10 C ATOM 1130 CG LEU A 79 3.978 3.364 2.766 1.00 12.12 C ATOM 1131 CD1 LEU A 79 2.789 2.986 3.663 1.00 35.05 C ATOM 1132 CD2 LEU A 79 3.609 3.398 1.260 1.00 51.20 C ATOM 0 H LEU A 79 6.602 3.035 3.082 1.00 35.34 H new ATOM 0 HA LEU A 79 5.753 5.077 1.433 1.00 32.31 H new ATOM 0 HB2 LEU A 79 4.886 4.578 4.309 1.00 34.10 H new ATOM 0 HB3 LEU A 79 3.992 5.499 3.116 1.00 34.10 H new ATOM 0 HG LEU A 79 4.710 2.563 2.869 1.00 12.12 H new ATOM 0 HD11 LEU A 79 2.329 2.070 3.291 1.00 35.05 H new ATOM 0 HD12 LEU A 79 3.139 2.828 4.683 1.00 35.05 H new ATOM 0 HD13 LEU A 79 2.054 3.791 3.652 1.00 35.05 H new ATOM 0 HD21 LEU A 79 3.123 2.462 0.983 1.00 51.20 H new ATOM 0 HD22 LEU A 79 2.930 4.230 1.070 1.00 51.20 H new ATOM 0 HD23 LEU A 79 4.514 3.526 0.666 1.00 51.20 H new ATOM 1144 N ARG A 80 7.010 6.132 4.336 1.00 24.23 N ATOM 1145 CA ARG A 80 7.712 7.225 5.029 1.00 1.44 C ATOM 1146 C ARG A 80 8.833 7.820 4.154 1.00 73.32 C ATOM 1147 O ARG A 80 8.973 9.040 4.076 1.00 53.42 O ATOM 1148 CB ARG A 80 8.360 6.764 6.345 1.00 74.50 C ATOM 1149 CG ARG A 80 7.354 6.177 7.349 1.00 42.15 C ATOM 1150 CD ARG A 80 7.992 5.809 8.699 1.00 25.15 C ATOM 1151 NE ARG A 80 8.707 7.029 9.220 1.00 45.24 N ATOM 1152 CZ ARG A 80 8.045 8.076 9.825 1.00 10.51 C ATOM 1153 NH1 ARG A 80 6.701 8.009 10.061 1.00 63.35 N ATOM 1154 NH2 ARG A 80 8.740 9.191 10.179 1.00 70.42 N ATOM 0 H ARG A 80 6.873 5.302 4.912 1.00 24.23 H new ATOM 0 HA ARG A 80 6.947 7.973 5.237 1.00 1.44 H new ATOM 0 HB2 ARG A 80 9.120 6.015 6.124 1.00 74.50 H new ATOM 0 HB3 ARG A 80 8.870 7.610 6.806 1.00 74.50 H new ATOM 0 HG2 ARG A 80 6.554 6.899 7.517 1.00 42.15 H new ATOM 0 HG3 ARG A 80 6.895 5.288 6.917 1.00 42.15 H new ATOM 0 HD2 ARG A 80 7.229 5.483 9.406 1.00 25.15 H new ATOM 0 HD3 ARG A 80 8.690 4.980 8.578 1.00 25.15 H new ATOM 0 HE ARG A 80 9.721 7.082 9.121 1.00 45.24 H new ATOM 0 HH11 ARG A 80 6.176 7.178 9.789 1.00 63.35 H new ATOM 0 HH12 ARG A 80 6.222 8.790 10.509 1.00 63.35 H new ATOM 0 HH21 ARG A 80 9.742 9.247 9.996 1.00 70.42 H new ATOM 0 HH22 ARG A 80 8.259 9.971 10.627 1.00 70.42 H new ATOM 1168 N ASN A 81 9.620 6.960 3.480 1.00 24.54 N ATOM 1169 CA ASN A 81 10.798 7.400 2.712 1.00 11.23 C ATOM 1170 C ASN A 81 10.374 8.017 1.376 1.00 25.41 C ATOM 1171 O ASN A 81 11.181 8.661 0.716 1.00 62.22 O ATOM 1172 CB ASN A 81 11.776 6.216 2.389 1.00 3.44 C ATOM 1173 CG ASN A 81 13.062 6.756 1.741 1.00 43.43 C ATOM 1174 OD1 ASN A 81 13.689 7.691 2.259 1.00 15.15 O ATOM 1175 ND2 ASN A 81 13.472 6.168 0.602 1.00 12.13 N ATOM 0 H ASN A 81 9.459 5.953 3.453 1.00 24.54 H new ATOM 0 HA ASN A 81 11.308 8.132 3.339 1.00 11.23 H new ATOM 0 HB2 ASN A 81 12.020 5.675 3.303 1.00 3.44 H new ATOM 0 HB3 ASN A 81 11.292 5.506 1.718 1.00 3.44 H new ATOM 0 HD21 ASN A 81 14.322 6.490 0.139 1.00 12.13 H new ATOM 0 HD22 ASN A 81 12.933 5.400 0.202 1.00 12.13 H new ATOM 1182 N THR A 82 9.116 7.828 0.930 1.00 53.35 N ATOM 1183 CA THR A 82 8.762 8.261 -0.424 1.00 40.01 C ATOM 1184 C THR A 82 8.601 9.772 -0.432 1.00 24.33 C ATOM 1185 O THR A 82 8.487 10.413 0.626 1.00 74.13 O ATOM 1186 CB THR A 82 7.510 7.613 -1.000 1.00 31.34 C ATOM 1187 OG1 THR A 82 6.387 7.753 -0.114 1.00 74.42 O ATOM 1188 CG2 THR A 82 7.792 6.126 -1.289 1.00 53.42 C ATOM 0 H THR A 82 8.362 7.397 1.465 1.00 53.35 H new ATOM 0 HA THR A 82 9.579 7.936 -1.068 1.00 40.01 H new ATOM 0 HB THR A 82 7.252 8.122 -1.929 1.00 31.34 H new ATOM 0 HG1 THR A 82 6.533 7.209 0.688 1.00 74.42 H new ATOM 0 HG21 THR A 82 6.897 5.659 -1.701 1.00 53.42 H new ATOM 0 HG22 THR A 82 8.608 6.043 -2.007 1.00 53.42 H new ATOM 0 HG23 THR A 82 8.070 5.622 -0.364 1.00 53.42 H new ATOM 1196 N GLY A 83 8.624 10.353 -1.650 1.00 72.24 N ATOM 1197 CA GLY A 83 8.568 11.787 -1.822 1.00 11.45 C ATOM 1198 C GLY A 83 7.147 12.234 -1.762 1.00 15.25 C ATOM 1199 O GLY A 83 6.324 11.681 -1.010 1.00 62.41 O ATOM 0 H GLY A 83 8.682 9.830 -2.524 1.00 72.24 H new ATOM 0 HA2 GLY A 83 9.150 12.281 -1.044 1.00 11.45 H new ATOM 0 HA3 GLY A 83 9.010 12.068 -2.778 1.00 11.45 H new ATOM 1203 N GLN A 84 6.818 13.288 -2.536 1.00 5.32 N ATOM 1204 CA GLN A 84 5.525 13.893 -2.426 1.00 75.32 C ATOM 1205 C GLN A 84 4.590 13.130 -3.298 1.00 5.04 C ATOM 1206 O GLN A 84 3.492 12.844 -2.908 1.00 21.01 O ATOM 1207 CB GLN A 84 5.476 15.379 -2.838 1.00 42.21 C ATOM 1208 CG GLN A 84 4.115 16.037 -2.524 1.00 43.45 C ATOM 1209 CD GLN A 84 4.176 17.495 -2.921 1.00 3.11 C ATOM 1210 OE1 GLN A 84 3.453 17.934 -3.823 1.00 22.21 O ATOM 1211 NE2 GLN A 84 5.041 18.272 -2.260 1.00 74.11 N ATOM 0 H GLN A 84 7.436 13.715 -3.226 1.00 5.32 H new ATOM 0 HA GLN A 84 5.249 13.861 -1.372 1.00 75.32 H new ATOM 0 HB2 GLN A 84 6.266 15.922 -2.320 1.00 42.21 H new ATOM 0 HB3 GLN A 84 5.679 15.463 -3.906 1.00 42.21 H new ATOM 0 HG2 GLN A 84 3.317 15.531 -3.067 1.00 43.45 H new ATOM 0 HG3 GLN A 84 3.887 15.944 -1.462 1.00 43.45 H new ATOM 0 HE21 GLN A 84 5.622 17.875 -1.521 1.00 74.11 H new ATOM 0 HE22 GLN A 84 5.120 19.262 -2.495 1.00 74.11 H new ATOM 1220 N VAL A 85 5.018 12.768 -4.502 1.00 23.23 N ATOM 1221 CA VAL A 85 4.156 11.993 -5.359 1.00 3.11 C ATOM 1222 C VAL A 85 4.765 10.639 -5.363 1.00 44.12 C ATOM 1223 O VAL A 85 5.987 10.500 -5.536 1.00 55.50 O ATOM 1224 CB VAL A 85 4.019 12.530 -6.771 1.00 41.31 C ATOM 1225 CG1 VAL A 85 3.078 11.600 -7.585 1.00 33.22 C ATOM 1226 CG2 VAL A 85 3.467 13.972 -6.658 1.00 53.32 C ATOM 0 H VAL A 85 5.933 12.995 -4.891 1.00 23.23 H new ATOM 0 HA VAL A 85 3.134 12.016 -4.981 1.00 3.11 H new ATOM 0 HB VAL A 85 4.974 12.553 -7.296 1.00 41.31 H new ATOM 0 HG11 VAL A 85 2.977 11.983 -8.600 1.00 33.22 H new ATOM 0 HG12 VAL A 85 3.498 10.595 -7.616 1.00 33.22 H new ATOM 0 HG13 VAL A 85 2.097 11.569 -7.110 1.00 33.22 H new ATOM 0 HG21 VAL A 85 3.353 14.397 -7.655 1.00 53.32 H new ATOM 0 HG22 VAL A 85 2.498 13.953 -6.159 1.00 53.32 H new ATOM 0 HG23 VAL A 85 4.161 14.583 -6.080 1.00 53.32 H new ATOM 1236 N VAL A 86 3.955 9.616 -5.078 1.00 62.10 N ATOM 1237 CA VAL A 86 4.464 8.302 -4.887 1.00 44.33 C ATOM 1238 C VAL A 86 3.775 7.454 -5.883 1.00 25.42 C ATOM 1239 O VAL A 86 2.585 7.602 -6.085 1.00 74.23 O ATOM 1240 CB VAL A 86 4.123 7.763 -3.506 1.00 34.41 C ATOM 1241 CG1 VAL A 86 4.874 6.434 -3.282 1.00 45.42 C ATOM 1242 CG2 VAL A 86 4.471 8.847 -2.466 1.00 13.42 C ATOM 0 H VAL A 86 2.943 9.698 -4.979 1.00 62.10 H new ATOM 0 HA VAL A 86 5.549 8.306 -4.990 1.00 44.33 H new ATOM 0 HB VAL A 86 3.061 7.541 -3.406 1.00 34.41 H new ATOM 0 HG11 VAL A 86 4.634 6.042 -2.294 1.00 45.42 H new ATOM 0 HG12 VAL A 86 4.572 5.713 -4.041 1.00 45.42 H new ATOM 0 HG13 VAL A 86 5.948 6.607 -3.353 1.00 45.42 H new ATOM 0 HG21 VAL A 86 4.234 8.482 -1.467 1.00 13.42 H new ATOM 0 HG22 VAL A 86 5.534 9.080 -2.525 1.00 13.42 H new ATOM 0 HG23 VAL A 86 3.891 9.747 -2.670 1.00 13.42 H new ATOM 1252 N HIS A 87 4.507 6.527 -6.515 1.00 11.44 N ATOM 1253 CA HIS A 87 3.889 5.556 -7.373 1.00 33.33 C ATOM 1254 C HIS A 87 3.732 4.349 -6.524 1.00 64.03 C ATOM 1255 O HIS A 87 4.711 3.788 -6.063 1.00 24.10 O ATOM 1256 CB HIS A 87 4.744 5.144 -8.595 1.00 60.22 C ATOM 1257 CG HIS A 87 4.843 6.211 -9.640 1.00 43.41 C ATOM 1258 ND1 HIS A 87 5.515 7.385 -9.437 1.00 0.34 N ATOM 1259 CD2 HIS A 87 4.336 6.245 -10.886 1.00 73.12 C ATOM 1260 CE1 HIS A 87 5.411 8.116 -10.541 1.00 71.31 C ATOM 1261 NE2 HIS A 87 4.701 7.435 -11.437 1.00 34.32 N ATOM 0 H HIS A 87 5.521 6.444 -6.437 1.00 11.44 H new ATOM 0 HA HIS A 87 2.967 5.980 -7.772 1.00 33.33 H new ATOM 0 HB2 HIS A 87 5.747 4.884 -8.256 1.00 60.22 H new ATOM 0 HB3 HIS A 87 4.316 4.247 -9.042 1.00 60.22 H new ATOM 0 HD2 HIS A 87 3.749 5.472 -11.360 1.00 73.12 H new ATOM 0 HE1 HIS A 87 5.833 9.100 -10.687 1.00 71.31 H new ATOM 0 HE2 HIS A 87 4.469 7.752 -12.379 1.00 34.32 H new ATOM 1270 N LEU A 88 2.495 3.950 -6.270 1.00 41.25 N ATOM 1271 CA LEU A 88 2.237 2.769 -5.496 1.00 41.34 C ATOM 1272 C LEU A 88 1.631 1.817 -6.449 1.00 71.04 C ATOM 1273 O LEU A 88 0.815 2.206 -7.284 1.00 23.00 O ATOM 1274 CB LEU A 88 1.241 2.997 -4.340 1.00 41.03 C ATOM 1275 CG LEU A 88 1.735 4.043 -3.318 1.00 12.35 C ATOM 1276 CD1 LEU A 88 0.587 4.650 -2.515 1.00 63.03 C ATOM 1277 CD2 LEU A 88 2.881 3.517 -2.429 1.00 75.31 C ATOM 0 H LEU A 88 1.659 4.436 -6.595 1.00 41.25 H new ATOM 0 HA LEU A 88 3.163 2.424 -5.036 1.00 41.34 H new ATOM 0 HB2 LEU A 88 0.284 3.321 -4.750 1.00 41.03 H new ATOM 0 HB3 LEU A 88 1.064 2.051 -3.828 1.00 41.03 H new ATOM 0 HG LEU A 88 2.168 4.859 -3.896 1.00 12.35 H new ATOM 0 HD11 LEU A 88 0.983 5.380 -1.809 1.00 63.03 H new ATOM 0 HD12 LEU A 88 -0.111 5.142 -3.193 1.00 63.03 H new ATOM 0 HD13 LEU A 88 0.068 3.862 -1.969 1.00 63.03 H new ATOM 0 HD21 LEU A 88 3.187 4.296 -1.731 1.00 75.31 H new ATOM 0 HD22 LEU A 88 2.539 2.645 -1.872 1.00 75.31 H new ATOM 0 HD23 LEU A 88 3.729 3.238 -3.055 1.00 75.31 H new ATOM 1289 N LEU A 89 2.050 0.557 -6.386 1.00 24.44 N ATOM 1290 CA LEU A 89 1.531 -0.435 -7.276 1.00 32.50 C ATOM 1291 C LEU A 89 0.797 -1.382 -6.406 1.00 42.45 C ATOM 1292 O LEU A 89 1.362 -1.893 -5.422 1.00 62.53 O ATOM 1293 CB LEU A 89 2.649 -1.203 -8.004 1.00 53.23 C ATOM 1294 CG LEU A 89 2.177 -2.132 -9.130 1.00 13.42 C ATOM 1295 CD1 LEU A 89 1.360 -1.395 -10.205 1.00 11.33 C ATOM 1296 CD2 LEU A 89 3.352 -2.888 -9.742 1.00 4.02 C ATOM 0 H LEU A 89 2.746 0.215 -5.724 1.00 24.44 H new ATOM 0 HA LEU A 89 0.912 0.029 -8.044 1.00 32.50 H new ATOM 0 HB2 LEU A 89 3.352 -0.481 -8.421 1.00 53.23 H new ATOM 0 HB3 LEU A 89 3.197 -1.796 -7.272 1.00 53.23 H new ATOM 0 HG LEU A 89 1.502 -2.859 -8.678 1.00 13.42 H new ATOM 0 HD11 LEU A 89 1.053 -2.101 -10.976 1.00 11.33 H new ATOM 0 HD12 LEU A 89 0.476 -0.949 -9.748 1.00 11.33 H new ATOM 0 HD13 LEU A 89 1.971 -0.612 -10.653 1.00 11.33 H new ATOM 0 HD21 LEU A 89 2.991 -3.540 -10.538 1.00 4.02 H new ATOM 0 HD22 LEU A 89 4.068 -2.176 -10.153 1.00 4.02 H new ATOM 0 HD23 LEU A 89 3.838 -3.489 -8.973 1.00 4.02 H new ATOM 1308 N LEU A 90 -0.488 -1.605 -6.698 1.00 34.22 N ATOM 1309 CA LEU A 90 -1.298 -2.395 -5.819 1.00 51.44 C ATOM 1310 C LEU A 90 -2.008 -3.391 -6.647 1.00 20.24 C ATOM 1311 O LEU A 90 -2.154 -3.225 -7.855 1.00 73.33 O ATOM 1312 CB LEU A 90 -2.352 -1.610 -5.009 1.00 21.02 C ATOM 1313 CG LEU A 90 -1.759 -0.546 -4.060 1.00 21.54 C ATOM 1314 CD1 LEU A 90 -1.591 0.826 -4.729 1.00 43.20 C ATOM 1315 CD2 LEU A 90 -2.538 -0.453 -2.752 1.00 23.22 C ATOM 0 H LEU A 90 -0.966 -1.249 -7.525 1.00 34.22 H new ATOM 0 HA LEU A 90 -0.621 -2.831 -5.084 1.00 51.44 H new ATOM 0 HB2 LEU A 90 -3.036 -1.121 -5.702 1.00 21.02 H new ATOM 0 HB3 LEU A 90 -2.942 -2.315 -4.423 1.00 21.02 H new ATOM 0 HG LEU A 90 -0.753 -0.886 -3.813 1.00 21.54 H new ATOM 0 HD11 LEU A 90 -1.170 1.531 -4.012 1.00 43.20 H new ATOM 0 HD12 LEU A 90 -0.921 0.734 -5.584 1.00 43.20 H new ATOM 0 HD13 LEU A 90 -2.562 1.188 -5.066 1.00 43.20 H new ATOM 0 HD21 LEU A 90 -2.088 0.307 -2.114 1.00 23.22 H new ATOM 0 HD22 LEU A 90 -3.573 -0.183 -2.963 1.00 23.22 H new ATOM 0 HD23 LEU A 90 -2.511 -1.417 -2.243 1.00 23.22 H new ATOM 1327 N GLU A 91 -2.437 -4.472 -5.998 1.00 45.35 N ATOM 1328 CA GLU A 91 -3.182 -5.492 -6.621 1.00 13.30 C ATOM 1329 C GLU A 91 -4.455 -5.519 -5.859 1.00 5.35 C ATOM 1330 O GLU A 91 -4.448 -5.573 -4.620 1.00 23.11 O ATOM 1331 CB GLU A 91 -2.520 -6.885 -6.475 1.00 22.25 C ATOM 1332 CG GLU A 91 -3.270 -8.019 -7.183 1.00 5.40 C ATOM 1333 CD GLU A 91 -2.537 -9.296 -6.889 1.00 3.23 C ATOM 1334 OE1 GLU A 91 -2.483 -9.694 -5.699 1.00 33.24 O ATOM 1335 OE2 GLU A 91 -1.981 -9.898 -7.825 1.00 71.13 O ATOM 0 H GLU A 91 -2.258 -4.639 -5.008 1.00 45.35 H new ATOM 0 HA GLU A 91 -3.282 -5.296 -7.688 1.00 13.30 H new ATOM 0 HB2 GLU A 91 -1.505 -6.835 -6.870 1.00 22.25 H new ATOM 0 HB3 GLU A 91 -2.438 -7.126 -5.415 1.00 22.25 H new ATOM 0 HG2 GLU A 91 -4.299 -8.077 -6.829 1.00 5.40 H new ATOM 0 HG3 GLU A 91 -3.312 -7.839 -8.257 1.00 5.40 H new ATOM 1342 N LYS A 92 -5.579 -5.446 -6.575 1.00 65.43 N ATOM 1343 CA LYS A 92 -6.882 -5.466 -5.969 1.00 34.43 C ATOM 1344 C LYS A 92 -7.108 -6.750 -5.268 1.00 63.33 C ATOM 1345 O LYS A 92 -6.524 -7.781 -5.586 1.00 21.15 O ATOM 1346 CB LYS A 92 -8.063 -5.244 -6.950 1.00 4.12 C ATOM 1347 CG LYS A 92 -8.314 -3.790 -7.280 1.00 25.03 C ATOM 1348 CD LYS A 92 -8.616 -2.983 -6.015 1.00 0.14 C ATOM 1349 CE LYS A 92 -9.046 -1.532 -6.270 1.00 50.54 C ATOM 1350 NZ LYS A 92 -10.429 -1.471 -6.777 1.00 72.10 N ATOM 0 H LYS A 92 -5.595 -5.372 -7.592 1.00 65.43 H new ATOM 0 HA LYS A 92 -6.873 -4.622 -5.279 1.00 34.43 H new ATOM 0 HB2 LYS A 92 -7.864 -5.788 -7.873 1.00 4.12 H new ATOM 0 HB3 LYS A 92 -8.968 -5.671 -6.518 1.00 4.12 H new ATOM 0 HG2 LYS A 92 -7.442 -3.372 -7.782 1.00 25.03 H new ATOM 0 HG3 LYS A 92 -9.150 -3.710 -7.974 1.00 25.03 H new ATOM 0 HD2 LYS A 92 -9.404 -3.489 -5.457 1.00 0.14 H new ATOM 0 HD3 LYS A 92 -7.729 -2.979 -5.382 1.00 0.14 H new ATOM 0 HE2 LYS A 92 -8.968 -0.958 -5.346 1.00 50.54 H new ATOM 0 HE3 LYS A 92 -8.370 -1.070 -6.990 1.00 50.54 H new ATOM 0 HZ1 LYS A 92 -10.819 -0.522 -6.609 1.00 72.10 H new ATOM 0 HZ2 LYS A 92 -10.434 -1.671 -7.798 1.00 72.10 H new ATOM 0 HZ3 LYS A 92 -11.011 -2.177 -6.283 1.00 72.10 H new ATOM 1364 N GLY A 93 -7.951 -6.678 -4.271 1.00 32.25 N ATOM 1365 CA GLY A 93 -8.316 -7.812 -3.517 1.00 74.03 C ATOM 1366 C GLY A 93 -8.392 -7.320 -2.154 1.00 74.24 C ATOM 1367 O GLY A 93 -7.688 -7.804 -1.277 1.00 55.31 O ATOM 0 H GLY A 93 -8.399 -5.813 -3.969 1.00 32.25 H new ATOM 0 HA2 GLY A 93 -9.271 -8.220 -3.848 1.00 74.03 H new ATOM 0 HA3 GLY A 93 -7.579 -8.609 -3.613 1.00 74.03 H new ATOM 1371 N GLN A 94 -9.261 -6.307 -1.918 1.00 72.42 N ATOM 1372 CA GLN A 94 -9.402 -5.775 -0.606 1.00 72.02 C ATOM 1373 C GLN A 94 -10.272 -6.732 0.115 1.00 42.11 C ATOM 1374 O GLN A 94 -11.298 -7.173 -0.416 1.00 72.35 O ATOM 1375 CB GLN A 94 -10.045 -4.359 -0.547 1.00 23.24 C ATOM 1376 CG GLN A 94 -11.391 -4.222 -1.307 1.00 13.45 C ATOM 1377 CD GLN A 94 -11.918 -2.807 -1.108 1.00 1.12 C ATOM 1378 OE1 GLN A 94 -12.166 -2.080 -2.073 1.00 2.33 O ATOM 1379 NE2 GLN A 94 -12.098 -2.399 0.162 1.00 53.15 N ATOM 0 H GLN A 94 -9.850 -5.871 -2.627 1.00 72.42 H new ATOM 0 HA GLN A 94 -8.411 -5.654 -0.169 1.00 72.02 H new ATOM 0 HB2 GLN A 94 -10.205 -4.092 0.497 1.00 23.24 H new ATOM 0 HB3 GLN A 94 -9.338 -3.637 -0.956 1.00 23.24 H new ATOM 0 HG2 GLN A 94 -11.249 -4.427 -2.368 1.00 13.45 H new ATOM 0 HG3 GLN A 94 -12.112 -4.950 -0.935 1.00 13.45 H new ATOM 0 HE21 GLN A 94 -11.882 -3.028 0.935 1.00 53.15 H new ATOM 0 HE22 GLN A 94 -12.450 -1.461 0.351 1.00 53.15 H new ATOM 1388 N SER A 95 -9.848 -7.144 1.303 1.00 23.44 N ATOM 1389 CA SER A 95 -10.569 -8.115 2.039 1.00 5.41 C ATOM 1390 C SER A 95 -11.292 -7.365 3.145 1.00 11.11 C ATOM 1391 O SER A 95 -10.820 -6.323 3.632 1.00 2.13 O ATOM 1392 CB SER A 95 -9.607 -9.145 2.683 1.00 74.15 C ATOM 1393 OG SER A 95 -8.513 -8.466 3.339 1.00 53.01 O ATOM 0 H SER A 95 -9.001 -6.805 1.760 1.00 23.44 H new ATOM 0 HA SER A 95 -11.255 -8.654 1.385 1.00 5.41 H new ATOM 0 HB2 SER A 95 -10.149 -9.758 3.404 1.00 74.15 H new ATOM 0 HB3 SER A 95 -9.220 -9.819 1.919 1.00 74.15 H new ATOM 0 HG SER A 95 -8.791 -7.559 3.584 1.00 53.01 H new ATOM 1399 N PRO A 96 -12.449 -7.884 3.555 1.00 64.44 N ATOM 1400 CA PRO A 96 -13.125 -7.433 4.760 1.00 2.33 C ATOM 1401 C PRO A 96 -12.379 -8.006 5.953 1.00 74.01 C ATOM 1402 O PRO A 96 -12.857 -8.989 6.536 1.00 12.32 O ATOM 1403 CB PRO A 96 -14.529 -8.062 4.641 1.00 63.20 C ATOM 1404 CG PRO A 96 -14.311 -9.337 3.800 1.00 74.44 C ATOM 1405 CD PRO A 96 -13.165 -8.966 2.865 1.00 1.13 C ATOM 0 HA PRO A 96 -13.171 -6.351 4.880 1.00 2.33 H new ATOM 0 HB2 PRO A 96 -14.942 -8.299 5.621 1.00 63.20 H new ATOM 0 HB3 PRO A 96 -15.229 -7.382 4.156 1.00 63.20 H new ATOM 0 HG2 PRO A 96 -14.055 -10.191 4.427 1.00 74.44 H new ATOM 0 HG3 PRO A 96 -15.209 -9.608 3.244 1.00 74.44 H new ATOM 0 HD2 PRO A 96 -12.511 -9.819 2.683 1.00 1.13 H new ATOM 0 HD3 PRO A 96 -13.537 -8.637 1.895 1.00 1.13 H new ATOM 1413 N THR A 97 -11.214 -7.450 6.315 1.00 4.42 N ATOM 1414 CA THR A 97 -10.465 -7.981 7.425 1.00 22.23 C ATOM 1415 C THR A 97 -10.217 -6.794 8.380 1.00 23.20 C ATOM 1416 O THR A 97 -9.056 -6.358 8.535 1.00 1.20 O ATOM 1417 CB THR A 97 -9.143 -8.587 6.994 1.00 71.21 C ATOM 1418 OG1 THR A 97 -9.363 -9.458 5.884 1.00 52.52 O ATOM 1419 CG2 THR A 97 -8.562 -9.400 8.169 1.00 25.23 C ATOM 0 H THR A 97 -10.789 -6.646 5.854 1.00 4.42 H new ATOM 0 HA THR A 97 -11.024 -8.787 7.901 1.00 22.23 H new ATOM 0 HB THR A 97 -8.448 -7.798 6.707 1.00 71.21 H new ATOM 0 HG1 THR A 97 -8.916 -9.096 5.091 1.00 52.52 H new ATOM 0 HG21 THR A 97 -7.611 -9.841 7.871 1.00 25.23 H new ATOM 0 HG22 THR A 97 -8.405 -8.742 9.024 1.00 25.23 H new ATOM 0 HG23 THR A 97 -9.259 -10.192 8.443 1.00 25.23 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -1.157 3.051 10.799 1.00 1.42 C HETATM 1429 C2 33B A 101 0.157 3.007 11.635 1.00 44.24 C HETATM 1430 O2 33B A 101 0.199 2.317 12.655 1.00 40.41 O HETATM 1431 N3 33B A 101 1.242 3.765 11.187 1.00 31.22 N HETATM 1432 C4 33B A 101 2.488 4.140 12.031 1.00 24.23 C HETATM 1433 C5 33B A 101 2.584 3.772 13.402 1.00 4.32 C HETATM 1434 C6 33B A 101 3.582 4.952 11.465 1.00 44.13 C HETATM 1435 S6 33B A 101 3.609 5.457 9.737 1.00 33.12 S HETATM 1436 C7 33B A 101 3.643 4.197 14.189 1.00 35.44 C HETATM 1437 C8 33B A 101 4.635 5.372 12.325 1.00 24.10 C HETATM 1438 C9 33B A 101 4.661 5.002 13.678 1.00 34.43 C HETATM 1439 N10 33B A 101 5.699 5.536 14.637 1.00 13.15 N HETATM 1440 N11 33B A 101 6.969 5.575 14.509 1.00 25.41 N HETATM 1441 C12 33B A 101 7.833 5.116 13.348 1.00 73.04 C HETATM 1442 C13 33B A 101 7.541 3.964 12.587 1.00 42.45 C HETATM 1443 C14 33B A 101 9.017 5.810 13.106 1.00 21.54 C HETATM 1444 C15 33B A 101 8.417 3.530 11.576 1.00 32.44 C HETATM 1445 C16 33B A 101 9.952 5.404 12.142 1.00 61.22 C HETATM 1446 C17 33B A 101 9.647 4.224 11.321 1.00 3.43 C HETATM 1447 S17 33B A 101 11.507 6.341 12.039 1.00 33.51 S HETATM 1448 N18 33B A 101 10.642 3.755 10.255 1.00 2.32 N HETATM 1449 C19 33B A 101 10.520 2.676 9.433 1.00 64.54 C HETATM 1450 O19 33B A 101 9.504 1.990 9.345 1.00 43.33 O HETATM 1451 C20 33B A 101 11.781 2.350 8.624 1.00 31.41 C HETATM 1452 O61 33B A 101 2.545 6.434 9.687 1.00 54.30 O HETATM 1453 O62 33B A 101 4.935 6.018 9.568 1.00 21.42 O HETATM 1454 O63 33B A 101 3.355 4.226 9.031 1.00 2.40 O HETATM 1455 O71 33B A 101 12.365 5.559 11.191 1.00 11.02 O HETATM 1456 O72 33B A 101 11.096 7.610 11.508 1.00 31.12 O HETATM 1457 O73 33B A 101 11.925 6.390 13.426 1.00 20.44 O HETATM 0 HO72 33B A 101 11.877 8.194 11.415 1.00 31.12 H new HETATM 0 HO62 33B A 101 4.938 6.623 8.797 1.00 21.42 H new HETATM 0 HN18 33B A 101 11.490 4.312 10.149 1.00 2.32 H new HETATM 0 HN3 33B A 101 1.212 4.100 10.224 1.00 31.22 H new HETATM 0 H8 33B A 101 5.437 5.993 11.925 1.00 24.10 H new HETATM 0 H7 33B A 101 3.681 3.894 15.235 1.00 35.44 H new HETATM 0 H5 33B A 101 1.810 3.144 13.842 1.00 4.32 H new HETATM 0 H15 33B A 101 8.159 2.656 10.979 1.00 32.44 H new HETATM 0 H14 33B A 101 9.225 6.706 13.690 1.00 21.54 H new HETATM 0 H13 33B A 101 6.627 3.405 12.785 1.00 42.45 H new