USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 200 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot -54:sc= 1.14 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0.844 USER MOD Set 2.1: A 56 SER OG : rot 15:sc= -0.384 USER MOD Set 2.2: A 60 MET CE :methyl -167:sc= -3.95 (180deg=-4.54!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -168:sc= 0.0526 (180deg=0) USER MOD Set 3.2: A 51 TYR OH : rot -9:sc= -0.0638 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= -1.02 (180deg=-2.15!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 102:sc= 1.36 USER MOD Single : A 17 MET CE :methyl -150:sc= -0.354 (180deg=-0.493) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0501) USER MOD Single : A 31 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.44) USER MOD Single : A 32 ASN : amide:sc= 0.651 K(o=0.65,f=-0.24) USER MOD Single : A 44 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.37) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 62 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 63 MET CE :methyl 173:sc= -0.0261 (180deg=-0.147) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc=-0.00662 (180deg=-0.227) USER MOD Single : A 71 THR OG1 : rot 15:sc= 0.735 USER MOD Single : A 78 MET CE :methyl -132:sc= -0.649 (180deg=-2.28) USER MOD Single : A 79 SER OG : rot 125:sc= 1.21 USER MOD Single : A 85 MET CE :methyl -175:sc= -1.37 (180deg=-1.41) USER MOD Single : A 87 THR OG1 : rot -131:sc= 0.683 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.752 K(o=0.75,f=-3.4!) USER MOD Single : A 100 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.5) USER MOD Single : A 104 SER OG : rot -110:sc= 0.688 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -116:sc= -0.487 (180deg=-0.529) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0.301 K(o=0.3,f=-0.37) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.294 -2.527 -8.441 1.00 0.00 N ATOM 38 CA LYS A 4 -14.665 -2.790 -7.035 1.00 0.00 C ATOM 39 C LYS A 4 -13.945 -4.004 -6.402 1.00 0.00 C ATOM 40 O LYS A 4 -13.676 -3.980 -5.204 1.00 0.00 O ATOM 41 CB LYS A 4 -16.187 -2.948 -6.888 1.00 0.00 C ATOM 42 CG LYS A 4 -16.787 -4.020 -7.815 1.00 0.00 C ATOM 43 CD LYS A 4 -18.012 -4.737 -7.236 1.00 0.00 C ATOM 44 CE LYS A 4 -17.631 -5.832 -6.225 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.208 -5.259 -4.933 1.00 0.00 N ATOM 0 HA LYS A 4 -14.327 -1.913 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.419 -3.202 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.665 -1.991 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.066 -3.553 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.019 -4.760 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.660 -4.008 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.587 -5.181 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.482 -6.494 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.825 -6.441 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.381 -5.949 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.194 -5.031 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.751 -4.392 -4.743 1.00 0.00 H new ATOM 50 N GLU A 5 -13.537 -4.955 -7.239 1.00 0.00 N ATOM 51 CA GLU A 5 -12.822 -6.204 -6.884 1.00 0.00 C ATOM 52 C GLU A 5 -11.388 -6.019 -6.331 1.00 0.00 C ATOM 53 O GLU A 5 -10.641 -6.986 -6.141 1.00 0.00 O ATOM 54 CB GLU A 5 -12.763 -7.081 -8.148 1.00 0.00 C ATOM 55 CG GLU A 5 -11.789 -6.550 -9.220 1.00 0.00 C ATOM 56 CD GLU A 5 -11.852 -7.296 -10.552 1.00 0.00 C ATOM 57 OE1 GLU A 5 -11.681 -8.534 -10.542 1.00 0.00 O ATOM 58 OE2 GLU A 5 -12.058 -6.598 -11.575 1.00 0.00 O ATOM 0 H GLU A 5 -13.700 -4.882 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.382 -6.660 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.465 -8.091 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.762 -7.151 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.002 -5.496 -9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.772 -6.609 -8.832 1.00 0.00 H new ATOM 60 N LEU A 6 -11.023 -4.774 -6.060 1.00 0.00 N ATOM 61 CA LEU A 6 -9.671 -4.402 -5.611 1.00 0.00 C ATOM 62 C LEU A 6 -9.363 -4.741 -4.148 1.00 0.00 C ATOM 63 O LEU A 6 -9.781 -4.045 -3.220 1.00 0.00 O ATOM 64 CB LEU A 6 -9.485 -2.918 -5.899 1.00 0.00 C ATOM 65 CG LEU A 6 -8.071 -2.681 -6.409 1.00 0.00 C ATOM 66 CD1 LEU A 6 -8.050 -1.377 -7.194 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.046 -2.650 -5.281 1.00 0.00 C ATOM 0 H LEU A 6 -11.657 -3.979 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.953 -5.006 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.212 -2.585 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.661 -2.335 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.791 -3.513 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.042 -1.193 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.740 -1.447 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.352 -0.556 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.053 -2.478 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.293 -1.847 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.058 -3.603 -4.752 1.00 0.00 H new ATOM 69 N LYS A 7 -8.712 -5.880 -3.992 1.00 0.00 N ATOM 70 CA LYS A 7 -8.270 -6.341 -2.667 1.00 0.00 C ATOM 71 C LYS A 7 -6.982 -5.633 -2.220 1.00 0.00 C ATOM 72 O LYS A 7 -5.943 -5.692 -2.880 1.00 0.00 O ATOM 73 CB LYS A 7 -8.135 -7.866 -2.619 1.00 0.00 C ATOM 74 CG LYS A 7 -8.617 -8.307 -1.241 1.00 0.00 C ATOM 75 CD LYS A 7 -8.549 -9.814 -1.034 1.00 0.00 C ATOM 76 CE LYS A 7 -9.142 -10.165 0.328 1.00 0.00 C ATOM 77 NZ LYS A 7 -8.897 -11.583 0.619 1.00 0.00 N ATOM 0 H LYS A 7 -8.473 -6.509 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.045 -6.067 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.730 -8.332 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.100 -8.168 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.014 -7.815 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.645 -7.974 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.097 -10.326 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.515 -10.154 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.695 -9.542 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.213 -9.962 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.468 -11.873 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.161 -12.157 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.889 -11.725 0.832 1.00 0.00 H new ATOM 82 N PHE A 8 -7.192 -4.809 -1.196 1.00 0.00 N ATOM 83 CA PHE A 8 -6.141 -3.989 -0.549 1.00 0.00 C ATOM 84 C PHE A 8 -5.507 -4.702 0.636 1.00 0.00 C ATOM 85 O PHE A 8 -6.183 -5.394 1.397 1.00 0.00 O ATOM 86 CB PHE A 8 -6.701 -2.711 0.070 1.00 0.00 C ATOM 87 CG PHE A 8 -7.211 -1.680 -0.934 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.530 -1.834 -1.417 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.365 -0.661 -1.405 1.00 0.00 C ATOM 90 CE1 PHE A 8 -9.009 -0.956 -2.414 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.844 0.217 -2.401 1.00 0.00 C ATOM 92 CZ PHE A 8 -8.157 0.065 -2.904 1.00 0.00 C ATOM 0 H PHE A 8 -8.113 -4.682 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.432 -3.790 -1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.517 -2.977 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.924 -2.249 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.166 -2.616 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.365 -0.552 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.013 -1.061 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.208 1.004 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.515 0.736 -3.671 1.00 0.00 H new ATOM 94 N LEU A 9 -4.187 -4.613 0.714 1.00 0.00 N ATOM 95 CA LEU A 9 -3.514 -5.143 1.906 1.00 0.00 C ATOM 96 C LEU A 9 -2.937 -3.976 2.719 1.00 0.00 C ATOM 97 O LEU A 9 -1.972 -3.326 2.326 1.00 0.00 O ATOM 98 CB LEU A 9 -2.400 -6.124 1.557 1.00 0.00 C ATOM 99 CG LEU A 9 -2.409 -7.317 2.523 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.108 -8.072 2.324 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.499 -6.990 4.024 1.00 0.00 C ATOM 0 H LEU A 9 -3.579 -4.201 0.007 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.255 -5.689 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.526 -6.477 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.435 -5.619 1.603 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.316 -7.871 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.079 -8.930 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.042 -8.417 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.268 -7.412 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.497 -7.916 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.644 -6.380 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.420 -6.442 4.222 1.00 0.00 H new ATOM 103 N VAL A 10 -3.653 -3.695 3.803 1.00 0.00 N ATOM 104 CA VAL A 10 -3.288 -2.632 4.762 1.00 0.00 C ATOM 105 C VAL A 10 -2.196 -3.238 5.667 1.00 0.00 C ATOM 106 O VAL A 10 -2.459 -4.024 6.569 1.00 0.00 O ATOM 107 CB VAL A 10 -4.483 -2.102 5.563 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.053 -0.959 6.486 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.568 -1.561 4.633 1.00 0.00 C ATOM 0 H VAL A 10 -4.507 -4.194 4.051 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.922 -1.752 4.234 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.870 -2.937 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.916 -0.598 7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.295 -1.319 7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.641 -0.145 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.404 -1.191 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.161 -0.747 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.914 -2.358 3.975 1.00 0.00 H new ATOM 111 N VAL A 11 -0.973 -2.905 5.285 1.00 0.00 N ATOM 112 CA VAL A 11 0.219 -3.399 5.989 1.00 0.00 C ATOM 113 C VAL A 11 0.722 -2.278 6.901 1.00 0.00 C ATOM 114 O VAL A 11 1.580 -1.453 6.564 1.00 0.00 O ATOM 115 CB VAL A 11 1.312 -3.899 5.023 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.328 -4.716 5.823 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.760 -4.764 3.887 1.00 0.00 C ATOM 0 H VAL A 11 -0.771 -2.295 4.493 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.047 -4.271 6.586 1.00 0.00 H new ATOM 0 HB VAL A 11 1.770 -3.023 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.110 -5.079 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.772 -4.088 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.827 -5.564 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.579 -5.084 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.263 -5.640 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.044 -4.185 3.304 1.00 0.00 H new ATOM 119 N ASP A 12 0.107 -2.245 8.069 1.00 0.00 N ATOM 120 CA ASP A 12 0.421 -1.213 9.073 1.00 0.00 C ATOM 121 C ASP A 12 0.597 -1.812 10.462 1.00 0.00 C ATOM 122 O ASP A 12 -0.336 -2.276 11.111 1.00 0.00 O ATOM 123 CB ASP A 12 -0.657 -0.122 9.022 1.00 0.00 C ATOM 124 CG ASP A 12 -0.156 1.181 9.645 1.00 0.00 C ATOM 125 OD1 ASP A 12 0.069 1.161 10.878 1.00 0.00 O ATOM 126 OD2 ASP A 12 0.045 2.127 8.864 1.00 0.00 O ATOM 0 H ASP A 12 -0.610 -2.911 8.356 1.00 0.00 H new ATOM 0 HA ASP A 12 1.381 -0.754 8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.949 0.056 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.547 -0.462 9.551 1.00 0.00 H new ATOM 128 N ASP A 13 1.798 -1.562 10.969 1.00 0.00 N ATOM 129 CA ASP A 13 2.276 -1.997 12.297 1.00 0.00 C ATOM 130 C ASP A 13 1.394 -1.582 13.489 1.00 0.00 C ATOM 131 O ASP A 13 1.322 -2.289 14.488 1.00 0.00 O ATOM 132 CB ASP A 13 3.711 -1.505 12.499 1.00 0.00 C ATOM 133 CG ASP A 13 3.896 0.012 12.412 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.530 0.569 11.350 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.343 0.581 13.428 1.00 0.00 O ATOM 0 H ASP A 13 2.501 -1.031 10.455 1.00 0.00 H new ATOM 0 HA ASP A 13 2.225 -3.086 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.060 -1.843 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.349 -1.977 11.751 1.00 0.00 H new ATOM 137 N PHE A 14 0.688 -0.460 13.325 1.00 0.00 N ATOM 138 CA PHE A 14 -0.188 0.074 14.381 1.00 0.00 C ATOM 139 C PHE A 14 -1.636 -0.364 14.118 1.00 0.00 C ATOM 140 O PHE A 14 -2.220 -0.027 13.084 1.00 0.00 O ATOM 141 CB PHE A 14 -0.078 1.604 14.388 1.00 0.00 C ATOM 142 CG PHE A 14 -0.523 2.260 15.693 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.010 1.806 16.936 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.273 3.450 15.616 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.247 2.564 18.104 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.510 4.208 16.783 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.994 3.755 18.017 1.00 0.00 C ATOM 0 H PHE A 14 0.703 0.099 12.472 1.00 0.00 H new ATOM 0 HA PHE A 14 0.116 -0.311 15.354 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.957 1.883 14.189 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.679 2.004 13.571 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.557 0.888 16.988 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.666 3.782 14.666 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.141 2.233 19.056 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.080 5.124 16.733 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.176 4.333 18.911 1.00 0.00 H new ATOM 149 N SER A 15 -2.167 -1.095 15.088 1.00 0.00 N ATOM 150 CA SER A 15 -3.553 -1.620 15.078 1.00 0.00 C ATOM 151 C SER A 15 -4.602 -0.538 14.763 1.00 0.00 C ATOM 152 O SER A 15 -5.318 -0.645 13.766 1.00 0.00 O ATOM 153 CB SER A 15 -3.872 -2.299 16.412 1.00 0.00 C ATOM 154 OG SER A 15 -3.496 -1.439 17.494 1.00 0.00 O ATOM 0 H SER A 15 -1.648 -1.353 15.927 1.00 0.00 H new ATOM 0 HA SER A 15 -3.607 -2.353 14.273 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.936 -2.527 16.469 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.338 -3.246 16.486 1.00 0.00 H new ATOM 0 HG SER A 15 -3.703 -1.876 18.346 1.00 0.00 H new ATOM 157 N THR A 16 -4.525 0.568 15.490 1.00 0.00 N ATOM 158 CA THR A 16 -5.422 1.724 15.281 1.00 0.00 C ATOM 159 C THR A 16 -5.279 2.322 13.874 1.00 0.00 C ATOM 160 O THR A 16 -6.287 2.497 13.190 1.00 0.00 O ATOM 161 CB THR A 16 -5.213 2.833 16.311 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.129 2.507 17.195 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.504 3.087 17.089 1.00 0.00 C ATOM 0 H THR A 16 -3.847 0.701 16.240 1.00 0.00 H new ATOM 0 HA THR A 16 -6.428 1.323 15.402 1.00 0.00 H new ATOM 0 HB THR A 16 -4.949 3.751 15.786 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.331 3.012 16.934 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.339 3.880 17.819 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.292 3.388 16.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.803 2.175 17.605 1.00 0.00 H new ATOM 166 N MET A 17 -4.044 2.478 13.397 1.00 0.00 N ATOM 167 CA MET A 17 -3.800 3.006 12.037 1.00 0.00 C ATOM 168 C MET A 17 -4.381 2.087 10.950 1.00 0.00 C ATOM 169 O MET A 17 -5.047 2.571 10.040 1.00 0.00 O ATOM 170 CB MET A 17 -2.304 3.304 11.831 1.00 0.00 C ATOM 171 CG MET A 17 -2.037 4.048 10.517 1.00 0.00 C ATOM 172 SD MET A 17 -2.984 5.596 10.326 1.00 0.00 S ATOM 173 CE MET A 17 -2.748 5.810 8.580 1.00 0.00 C ATOM 0 H MET A 17 -3.198 2.251 13.920 1.00 0.00 H new ATOM 0 HA MET A 17 -4.333 3.952 11.939 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.936 3.901 12.666 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.745 2.368 11.837 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.973 4.276 10.452 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.273 3.386 9.684 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.756 6.873 8.339 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.791 5.378 8.287 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.552 5.310 8.040 1.00 0.00 H new ATOM 175 N ARG A 18 -4.228 0.771 11.136 1.00 0.00 N ATOM 176 CA ARG A 18 -4.800 -0.254 10.242 1.00 0.00 C ATOM 177 C ARG A 18 -6.322 -0.096 10.102 1.00 0.00 C ATOM 178 O ARG A 18 -6.826 0.117 8.998 1.00 0.00 O ATOM 179 CB ARG A 18 -4.494 -1.663 10.762 1.00 0.00 C ATOM 180 CG ARG A 18 -3.420 -2.353 9.922 1.00 0.00 C ATOM 181 CD ARG A 18 -3.203 -3.816 10.315 1.00 0.00 C ATOM 182 NE ARG A 18 -2.601 -3.950 11.655 1.00 0.00 N ATOM 183 CZ ARG A 18 -3.023 -4.756 12.632 1.00 0.00 C ATOM 184 NH1 ARG A 18 -4.219 -5.332 12.592 1.00 0.00 N ATOM 185 NH2 ARG A 18 -2.333 -4.850 13.761 1.00 0.00 N ATOM 0 H ARG A 18 -3.700 0.380 11.916 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.338 -0.115 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.164 -1.605 11.799 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.405 -2.261 10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.701 -2.303 8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.480 -1.811 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.158 -4.342 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.558 -4.296 9.579 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.785 -3.372 11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.840 -5.163 11.801 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.516 -5.944 13.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.479 -4.306 13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.657 -5.466 14.507 1.00 0.00 H new ATOM 192 N ARG A 19 -6.977 0.027 11.254 1.00 0.00 N ATOM 193 CA ARG A 19 -8.440 0.223 11.365 1.00 0.00 C ATOM 194 C ARG A 19 -8.917 1.507 10.666 1.00 0.00 C ATOM 195 O ARG A 19 -9.886 1.478 9.903 1.00 0.00 O ATOM 196 CB ARG A 19 -8.864 0.240 12.842 1.00 0.00 C ATOM 197 CG ARG A 19 -8.602 -1.107 13.522 1.00 0.00 C ATOM 198 CD ARG A 19 -9.011 -1.062 14.996 1.00 0.00 C ATOM 199 NE ARG A 19 -8.640 -2.337 15.631 1.00 0.00 N ATOM 200 CZ ARG A 19 -8.075 -2.500 16.831 1.00 0.00 C ATOM 201 NH1 ARG A 19 -7.931 -1.488 17.686 1.00 0.00 N ATOM 202 NH2 ARG A 19 -7.768 -3.717 17.252 1.00 0.00 N ATOM 0 H ARG A 19 -6.507 -0.006 12.159 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.914 -0.617 10.857 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.320 1.025 13.368 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.924 0.484 12.914 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.158 -1.892 13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.545 -1.361 13.441 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.516 -0.232 15.500 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.084 -0.895 15.085 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.835 -3.185 15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.257 -0.555 17.432 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.495 -1.646 18.595 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.963 -4.525 16.661 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.337 -3.846 18.167 1.00 0.00 H new ATOM 209 N ILE A 20 -8.178 2.606 10.852 1.00 0.00 N ATOM 210 CA ILE A 20 -8.485 3.909 10.207 1.00 0.00 C ATOM 211 C ILE A 20 -8.550 3.753 8.672 1.00 0.00 C ATOM 212 O ILE A 20 -9.601 4.005 8.086 1.00 0.00 O ATOM 213 CB ILE A 20 -7.495 4.989 10.689 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.690 5.231 12.192 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.663 6.314 9.910 1.00 0.00 C ATOM 216 CD1 ILE A 20 -6.508 5.923 12.879 1.00 0.00 C ATOM 0 H ILE A 20 -7.351 2.629 11.449 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.475 4.250 10.511 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.484 4.627 10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.585 5.837 12.337 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.870 4.274 12.682 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.947 7.047 10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.485 6.137 8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.675 6.693 10.050 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.729 6.055 13.938 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.613 5.310 12.769 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.339 6.897 12.419 1.00 0.00 H new ATOM 218 N VAL A 21 -7.519 3.136 8.097 1.00 0.00 N ATOM 219 CA VAL A 21 -7.426 2.899 6.636 1.00 0.00 C ATOM 220 C VAL A 21 -8.604 2.040 6.125 1.00 0.00 C ATOM 221 O VAL A 21 -9.233 2.400 5.133 1.00 0.00 O ATOM 222 CB VAL A 21 -6.077 2.268 6.242 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.909 2.271 4.719 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.855 3.001 6.818 1.00 0.00 C ATOM 0 H VAL A 21 -6.719 2.782 8.621 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.487 3.874 6.153 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.110 1.260 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.951 1.822 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.715 1.697 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.941 3.297 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.944 2.497 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.846 4.030 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.907 2.996 7.907 1.00 0.00 H new ATOM 226 N ARG A 22 -8.947 0.987 6.875 1.00 0.00 N ATOM 227 CA ARG A 22 -10.081 0.086 6.553 1.00 0.00 C ATOM 228 C ARG A 22 -11.383 0.886 6.314 1.00 0.00 C ATOM 229 O ARG A 22 -11.970 0.805 5.234 1.00 0.00 O ATOM 230 CB ARG A 22 -10.231 -0.905 7.714 1.00 0.00 C ATOM 231 CG ARG A 22 -11.350 -1.927 7.491 1.00 0.00 C ATOM 232 CD ARG A 22 -11.681 -2.692 8.783 1.00 0.00 C ATOM 233 NE ARG A 22 -12.265 -1.788 9.793 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.049 -1.847 11.114 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.344 -2.822 11.669 1.00 0.00 N ATOM 236 NH2 ARG A 22 -12.654 -0.976 11.916 1.00 0.00 N ATOM 0 H ARG A 22 -8.450 0.727 7.727 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.883 -0.454 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.288 -1.433 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.430 -0.352 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.243 -1.417 7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.051 -2.632 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.380 -3.499 8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.776 -3.152 9.180 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.888 -1.054 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.946 -3.559 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.199 -2.836 12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.277 -0.270 11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.495 -1.014 12.923 1.00 0.00 H new ATOM 243 N ASN A 23 -11.717 1.751 7.272 1.00 0.00 N ATOM 244 CA ASN A 23 -12.908 2.626 7.210 1.00 0.00 C ATOM 245 C ASN A 23 -12.916 3.542 5.963 1.00 0.00 C ATOM 246 O ASN A 23 -13.920 3.651 5.264 1.00 0.00 O ATOM 247 CB ASN A 23 -13.044 3.471 8.480 1.00 0.00 C ATOM 248 CG ASN A 23 -13.454 2.627 9.688 1.00 0.00 C ATOM 249 OD1 ASN A 23 -14.494 1.992 9.733 1.00 0.00 O ATOM 250 ND2 ASN A 23 -12.591 2.551 10.683 1.00 0.00 N ATOM 0 H ASN A 23 -11.169 1.872 8.124 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.767 1.959 7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.096 3.967 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.784 4.254 8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.794 1.961 11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.721 3.082 10.645 1.00 0.00 H new ATOM 254 N LEU A 24 -11.734 4.071 5.649 1.00 0.00 N ATOM 255 CA LEU A 24 -11.510 4.952 4.470 1.00 0.00 C ATOM 256 C LEU A 24 -11.855 4.232 3.157 1.00 0.00 C ATOM 257 O LEU A 24 -12.625 4.721 2.342 1.00 0.00 O ATOM 258 CB LEU A 24 -10.047 5.412 4.456 1.00 0.00 C ATOM 259 CG LEU A 24 -9.704 6.308 5.647 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.226 6.698 5.611 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.552 7.587 5.726 1.00 0.00 C ATOM 0 H LEU A 24 -10.891 3.908 6.199 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.168 5.817 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.395 4.539 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.848 5.952 3.530 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.929 5.716 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.997 7.336 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.611 5.799 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.015 7.238 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.251 8.170 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.403 8.179 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.605 7.320 5.815 1.00 0.00 H new ATOM 263 N LEU A 25 -11.264 3.046 3.007 1.00 0.00 N ATOM 264 CA LEU A 25 -11.494 2.159 1.842 1.00 0.00 C ATOM 265 C LEU A 25 -12.974 1.779 1.689 1.00 0.00 C ATOM 266 O LEU A 25 -13.541 1.928 0.603 1.00 0.00 O ATOM 267 CB LEU A 25 -10.618 0.899 1.963 1.00 0.00 C ATOM 268 CG LEU A 25 -9.157 1.321 1.925 1.00 0.00 C ATOM 269 CD1 LEU A 25 -8.212 0.231 2.438 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.710 1.751 0.524 1.00 0.00 C ATOM 0 H LEU A 25 -10.608 2.663 3.687 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.213 2.708 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.836 0.374 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.834 0.208 1.148 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.095 2.178 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.183 0.588 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.462 -0.011 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.317 -0.661 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.660 2.043 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.838 0.920 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.313 2.597 0.193 1.00 0.00 H new ATOM 272 N LYS A 26 -13.608 1.478 2.822 1.00 0.00 N ATOM 273 CA LYS A 26 -15.051 1.166 2.886 1.00 0.00 C ATOM 274 C LYS A 26 -15.881 2.353 2.353 1.00 0.00 C ATOM 275 O LYS A 26 -16.673 2.186 1.433 1.00 0.00 O ATOM 276 CB LYS A 26 -15.432 0.818 4.335 1.00 0.00 C ATOM 277 CG LYS A 26 -16.903 0.409 4.486 1.00 0.00 C ATOM 278 CD LYS A 26 -17.174 -0.975 3.886 1.00 0.00 C ATOM 279 CE LYS A 26 -18.643 -1.116 3.463 1.00 0.00 C ATOM 280 NZ LYS A 26 -18.860 -0.410 2.185 1.00 0.00 N ATOM 0 H LYS A 26 -13.141 1.441 3.728 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.269 0.305 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.797 0.005 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.232 1.678 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.173 0.406 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.538 1.148 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.527 -1.134 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.927 -1.746 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.902 -2.169 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.295 -0.704 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.782 -0.684 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.845 0.617 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.106 -0.665 1.515 1.00 0.00 H new ATOM 285 N GLU A 27 -15.539 3.550 2.834 1.00 0.00 N ATOM 286 CA GLU A 27 -16.164 4.843 2.447 1.00 0.00 C ATOM 287 C GLU A 27 -16.128 5.077 0.925 1.00 0.00 C ATOM 288 O GLU A 27 -17.047 5.670 0.356 1.00 0.00 O ATOM 289 CB GLU A 27 -15.368 5.938 3.164 1.00 0.00 C ATOM 290 CG GLU A 27 -15.981 7.337 3.126 1.00 0.00 C ATOM 291 CD GLU A 27 -16.730 7.641 4.423 1.00 0.00 C ATOM 292 OE1 GLU A 27 -16.029 7.839 5.444 1.00 0.00 O ATOM 293 OE2 GLU A 27 -17.972 7.726 4.362 1.00 0.00 O ATOM 0 H GLU A 27 -14.798 3.664 3.526 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.216 4.846 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.241 5.645 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.372 5.986 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.196 8.078 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.664 7.416 2.280 1.00 0.00 H new ATOM 295 N LEU A 28 -15.007 4.697 0.314 1.00 0.00 N ATOM 296 CA LEU A 28 -14.746 4.797 -1.140 1.00 0.00 C ATOM 297 C LEU A 28 -15.506 3.779 -2.018 1.00 0.00 C ATOM 298 O LEU A 28 -15.570 3.933 -3.232 1.00 0.00 O ATOM 299 CB LEU A 28 -13.239 4.614 -1.395 1.00 0.00 C ATOM 300 CG LEU A 28 -12.385 5.727 -0.774 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.918 5.304 -0.746 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.563 7.056 -1.503 1.00 0.00 C ATOM 0 H LEU A 28 -14.222 4.296 0.826 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.108 5.784 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.922 3.653 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.059 4.583 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.725 5.883 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.318 6.100 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.812 4.397 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.575 5.114 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.941 7.816 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.267 6.941 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.608 7.361 -1.454 1.00 0.00 H new ATOM 304 N GLY A 29 -16.009 2.725 -1.371 1.00 0.00 N ATOM 305 CA GLY A 29 -16.738 1.615 -2.017 1.00 0.00 C ATOM 306 C GLY A 29 -15.882 0.344 -2.197 1.00 0.00 C ATOM 307 O GLY A 29 -16.244 -0.551 -2.963 1.00 0.00 O ATOM 0 H GLY A 29 -15.922 2.611 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.617 1.371 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.096 1.944 -2.992 1.00 0.00 H new ATOM 309 N PHE A 30 -14.779 0.268 -1.454 1.00 0.00 N ATOM 310 CA PHE A 30 -13.859 -0.884 -1.499 1.00 0.00 C ATOM 311 C PHE A 30 -13.909 -1.714 -0.210 1.00 0.00 C ATOM 312 O PHE A 30 -13.253 -1.433 0.793 1.00 0.00 O ATOM 313 CB PHE A 30 -12.431 -0.409 -1.795 1.00 0.00 C ATOM 314 CG PHE A 30 -12.278 0.215 -3.186 1.00 0.00 C ATOM 315 CD1 PHE A 30 -12.275 -0.619 -4.327 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.995 1.600 -3.295 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.962 -0.067 -5.590 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.681 2.151 -4.558 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.661 1.308 -5.695 1.00 0.00 C ATOM 0 H PHE A 30 -14.492 0.998 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.186 -1.539 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.135 0.321 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.748 -1.254 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.510 -1.669 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.019 2.230 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.953 -0.694 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.459 3.203 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.411 1.724 -6.660 1.00 0.00 H new ATOM 321 N ASN A 31 -14.824 -2.681 -0.260 1.00 0.00 N ATOM 322 CA ASN A 31 -15.082 -3.649 0.827 1.00 0.00 C ATOM 323 C ASN A 31 -13.947 -4.667 1.080 1.00 0.00 C ATOM 324 O ASN A 31 -13.753 -5.122 2.203 1.00 0.00 O ATOM 325 CB ASN A 31 -16.352 -4.446 0.483 1.00 0.00 C ATOM 326 CG ASN A 31 -17.606 -3.575 0.475 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.852 -2.776 -0.415 1.00 0.00 O ATOM 328 ND2 ASN A 31 -18.467 -3.788 1.451 1.00 0.00 N ATOM 0 H ASN A 31 -15.425 -2.824 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.177 -3.053 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.231 -4.911 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.478 -5.252 1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.353 -3.282 1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.247 -4.459 2.187 1.00 0.00 H new ATOM 332 N ASN A 32 -13.207 -4.977 0.022 1.00 0.00 N ATOM 333 CA ASN A 32 -12.129 -5.987 0.016 1.00 0.00 C ATOM 334 C ASN A 32 -10.778 -5.444 0.510 1.00 0.00 C ATOM 335 O ASN A 32 -9.981 -4.861 -0.223 1.00 0.00 O ATOM 336 CB ASN A 32 -12.025 -6.680 -1.355 1.00 0.00 C ATOM 337 CG ASN A 32 -12.832 -6.023 -2.482 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.872 -6.501 -2.918 1.00 0.00 O ATOM 339 ND2 ASN A 32 -12.465 -4.823 -2.844 1.00 0.00 N ATOM 0 H ASN A 32 -13.335 -4.527 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.409 -6.746 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.976 -6.710 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.355 -7.713 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.044 -4.285 -3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.599 -4.423 -2.482 1.00 0.00 H new ATOM 343 N VAL A 33 -10.603 -5.605 1.821 1.00 0.00 N ATOM 344 CA VAL A 33 -9.403 -5.159 2.555 1.00 0.00 C ATOM 345 C VAL A 33 -8.897 -6.267 3.509 1.00 0.00 C ATOM 346 O VAL A 33 -9.664 -6.772 4.332 1.00 0.00 O ATOM 347 CB VAL A 33 -9.769 -3.898 3.379 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.601 -3.372 4.226 1.00 0.00 C ATOM 349 CG2 VAL A 33 -10.294 -2.766 2.506 1.00 0.00 C ATOM 0 H VAL A 33 -11.297 -6.055 2.418 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.611 -4.934 1.841 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.561 -4.229 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.921 -2.489 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.284 -4.144 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.768 -3.110 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.536 -1.906 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.532 -2.483 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.190 -3.097 1.982 1.00 0.00 H new ATOM 351 N GLU A 34 -7.616 -6.619 3.370 1.00 0.00 N ATOM 352 CA GLU A 34 -6.948 -7.585 4.260 1.00 0.00 C ATOM 353 C GLU A 34 -5.953 -6.744 5.080 1.00 0.00 C ATOM 354 O GLU A 34 -5.439 -5.728 4.622 1.00 0.00 O ATOM 355 CB GLU A 34 -6.190 -8.645 3.469 1.00 0.00 C ATOM 356 CG GLU A 34 -6.034 -9.920 4.301 1.00 0.00 C ATOM 357 CD GLU A 34 -4.851 -10.806 3.886 1.00 0.00 C ATOM 358 OE1 GLU A 34 -3.774 -10.222 3.596 1.00 0.00 O ATOM 359 OE2 GLU A 34 -4.979 -12.034 4.078 1.00 0.00 O ATOM 0 H GLU A 34 -7.010 -6.246 2.640 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.672 -8.116 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.723 -8.869 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.208 -8.265 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.915 -9.644 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.952 -10.503 4.227 1.00 0.00 H new ATOM 361 N GLU A 35 -5.634 -7.232 6.281 1.00 0.00 N ATOM 362 CA GLU A 35 -4.744 -6.512 7.205 1.00 0.00 C ATOM 363 C GLU A 35 -3.556 -7.338 7.690 1.00 0.00 C ATOM 364 O GLU A 35 -3.698 -8.525 7.975 1.00 0.00 O ATOM 365 CB GLU A 35 -5.580 -5.993 8.388 1.00 0.00 C ATOM 366 CG GLU A 35 -6.546 -4.871 7.976 1.00 0.00 C ATOM 367 CD GLU A 35 -7.513 -4.537 9.103 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.111 -3.746 9.987 1.00 0.00 O ATOM 369 OE2 GLU A 35 -8.623 -5.114 9.089 1.00 0.00 O ATOM 0 H GLU A 35 -5.977 -8.123 6.640 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.301 -5.681 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.148 -6.818 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.912 -5.626 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.979 -3.981 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.105 -5.175 7.091 1.00 0.00 H new ATOM 371 N ALA A 36 -2.380 -6.759 7.462 1.00 0.00 N ATOM 372 CA ALA A 36 -1.068 -7.292 7.895 1.00 0.00 C ATOM 373 C ALA A 36 -0.377 -6.273 8.814 1.00 0.00 C ATOM 374 O ALA A 36 -0.508 -5.069 8.625 1.00 0.00 O ATOM 375 CB ALA A 36 -0.182 -7.580 6.684 1.00 0.00 C ATOM 0 H ALA A 36 -2.299 -5.877 6.956 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.228 -8.223 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.778 -7.971 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.669 -8.315 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.022 -6.659 6.123 1.00 0.00 H new ATOM 377 N GLU A 37 0.500 -6.770 9.693 1.00 0.00 N ATOM 378 CA GLU A 37 1.180 -5.866 10.642 1.00 0.00 C ATOM 379 C GLU A 37 2.669 -5.564 10.381 1.00 0.00 C ATOM 380 O GLU A 37 3.284 -4.766 11.091 1.00 0.00 O ATOM 381 CB GLU A 37 0.917 -6.264 12.112 1.00 0.00 C ATOM 382 CG GLU A 37 1.313 -7.691 12.522 1.00 0.00 C ATOM 383 CD GLU A 37 2.819 -7.953 12.418 1.00 0.00 C ATOM 384 OE1 GLU A 37 3.555 -7.507 13.324 1.00 0.00 O ATOM 385 OE2 GLU A 37 3.208 -8.571 11.404 1.00 0.00 O ATOM 0 H GLU A 37 0.753 -7.755 9.772 1.00 0.00 H new ATOM 0 HA GLU A 37 0.703 -4.906 10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.452 -5.565 12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.146 -6.134 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.990 -7.870 13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.782 -8.404 11.891 1.00 0.00 H new ATOM 387 N ASP A 38 3.256 -6.198 9.374 1.00 0.00 N ATOM 388 CA ASP A 38 4.686 -6.014 9.012 1.00 0.00 C ATOM 389 C ASP A 38 4.971 -6.596 7.622 1.00 0.00 C ATOM 390 O ASP A 38 4.292 -7.530 7.186 1.00 0.00 O ATOM 391 CB ASP A 38 5.590 -6.678 10.064 1.00 0.00 C ATOM 392 CG ASP A 38 7.080 -6.443 9.798 1.00 0.00 C ATOM 393 OD1 ASP A 38 7.485 -5.263 9.782 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.733 -7.419 9.349 1.00 0.00 O ATOM 0 H ASP A 38 2.766 -6.860 8.773 1.00 0.00 H new ATOM 0 HA ASP A 38 4.901 -4.946 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.336 -6.291 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.393 -7.750 10.081 1.00 0.00 H new ATOM 396 N GLY A 39 6.044 -6.085 7.021 1.00 0.00 N ATOM 397 CA GLY A 39 6.556 -6.496 5.694 1.00 0.00 C ATOM 398 C GLY A 39 6.506 -8.011 5.402 1.00 0.00 C ATOM 399 O GLY A 39 5.896 -8.433 4.422 1.00 0.00 O ATOM 0 H GLY A 39 6.606 -5.349 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.983 -5.977 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.589 -6.160 5.603 1.00 0.00 H new ATOM 401 N VAL A 40 7.090 -8.804 6.302 1.00 0.00 N ATOM 402 CA VAL A 40 7.116 -10.278 6.163 1.00 0.00 C ATOM 403 C VAL A 40 5.683 -10.864 6.070 1.00 0.00 C ATOM 404 O VAL A 40 5.315 -11.409 5.028 1.00 0.00 O ATOM 405 CB VAL A 40 7.918 -10.945 7.289 1.00 0.00 C ATOM 406 CG1 VAL A 40 7.995 -12.462 7.088 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.354 -10.402 7.368 1.00 0.00 C ATOM 0 H VAL A 40 7.555 -8.457 7.141 1.00 0.00 H new ATOM 0 HA VAL A 40 7.627 -10.501 5.227 1.00 0.00 H new ATOM 0 HB VAL A 40 7.392 -10.715 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.569 -12.908 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.988 -12.880 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.483 -12.679 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.887 -10.900 8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.867 -10.591 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.327 -9.329 7.557 1.00 0.00 H new ATOM 409 N ASP A 41 4.854 -10.495 7.054 1.00 0.00 N ATOM 410 CA ASP A 41 3.449 -10.928 7.171 1.00 0.00 C ATOM 411 C ASP A 41 2.673 -10.575 5.880 1.00 0.00 C ATOM 412 O ASP A 41 1.950 -11.405 5.335 1.00 0.00 O ATOM 413 CB ASP A 41 2.904 -10.209 8.409 1.00 0.00 C ATOM 414 CG ASP A 41 1.539 -10.660 8.915 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.289 -11.879 8.923 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.827 -9.740 9.383 1.00 0.00 O ATOM 0 H ASP A 41 5.144 -9.874 7.809 1.00 0.00 H new ATOM 0 HA ASP A 41 3.345 -12.007 7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.624 -10.330 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.850 -9.143 8.188 1.00 0.00 H new ATOM 418 N ALA A 42 3.002 -9.397 5.348 1.00 0.00 N ATOM 419 CA ALA A 42 2.449 -8.852 4.090 1.00 0.00 C ATOM 420 C ALA A 42 2.793 -9.747 2.901 1.00 0.00 C ATOM 421 O ALA A 42 1.884 -10.341 2.350 1.00 0.00 O ATOM 422 CB ALA A 42 3.011 -7.469 3.804 1.00 0.00 C ATOM 0 H ALA A 42 3.679 -8.772 5.786 1.00 0.00 H new ATOM 0 HA ALA A 42 1.368 -8.802 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.589 -7.090 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.752 -6.795 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.096 -7.529 3.712 1.00 0.00 H new ATOM 424 N LEU A 43 4.091 -9.968 2.653 1.00 0.00 N ATOM 425 CA LEU A 43 4.578 -10.801 1.535 1.00 0.00 C ATOM 426 C LEU A 43 3.906 -12.180 1.493 1.00 0.00 C ATOM 427 O LEU A 43 3.483 -12.623 0.422 1.00 0.00 O ATOM 428 CB LEU A 43 6.106 -10.890 1.610 1.00 0.00 C ATOM 429 CG LEU A 43 6.690 -10.564 0.233 1.00 0.00 C ATOM 430 CD1 LEU A 43 6.724 -9.071 -0.081 1.00 0.00 C ATOM 431 CD2 LEU A 43 8.130 -11.079 0.129 1.00 0.00 C ATOM 0 H LEU A 43 4.840 -9.574 3.223 1.00 0.00 H new ATOM 0 HA LEU A 43 4.301 -10.326 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.488 -10.193 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.411 -11.889 1.922 1.00 0.00 H new ATOM 0 HG LEU A 43 6.028 -11.054 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.150 -8.917 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.710 -8.671 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.336 -8.557 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.532 -10.840 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.742 -10.605 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.141 -12.159 0.273 1.00 0.00 H new ATOM 433 N ASN A 44 3.702 -12.764 2.672 1.00 0.00 N ATOM 434 CA ASN A 44 3.003 -14.059 2.860 1.00 0.00 C ATOM 435 C ASN A 44 1.535 -13.934 2.407 1.00 0.00 C ATOM 436 O ASN A 44 1.139 -14.450 1.349 1.00 0.00 O ATOM 437 CB ASN A 44 3.059 -14.443 4.346 1.00 0.00 C ATOM 438 CG ASN A 44 4.471 -14.562 4.939 1.00 0.00 C ATOM 439 OD1 ASN A 44 4.783 -14.029 5.995 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.371 -15.231 4.268 1.00 0.00 N ATOM 0 H ASN A 44 4.020 -12.352 3.549 1.00 0.00 H new ATOM 0 HA ASN A 44 3.490 -14.829 2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.504 -13.700 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.546 -15.395 4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.323 -15.305 4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.121 -15.679 3.386 1.00 0.00 H new ATOM 444 N LYS A 45 0.801 -13.083 3.125 1.00 0.00 N ATOM 445 CA LYS A 45 -0.632 -12.750 2.922 1.00 0.00 C ATOM 446 C LYS A 45 -0.997 -12.250 1.518 1.00 0.00 C ATOM 447 O LYS A 45 -2.009 -12.654 0.951 1.00 0.00 O ATOM 448 CB LYS A 45 -1.003 -11.680 3.949 1.00 0.00 C ATOM 449 CG LYS A 45 -1.310 -12.272 5.326 1.00 0.00 C ATOM 450 CD LYS A 45 -1.439 -11.147 6.348 1.00 0.00 C ATOM 451 CE LYS A 45 -1.740 -11.670 7.754 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.165 -11.997 7.895 1.00 0.00 N ATOM 0 H LYS A 45 1.202 -12.572 3.911 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.192 -13.677 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.184 -10.967 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.871 -11.125 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.234 -12.850 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.517 -12.958 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.515 -10.570 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.233 -10.467 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.137 -12.556 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.459 -10.920 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.347 -12.350 8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.735 -11.144 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.423 -12.729 7.203 1.00 0.00 H new ATOM 457 N LEU A 46 -0.104 -11.462 0.927 1.00 0.00 N ATOM 458 CA LEU A 46 -0.225 -10.845 -0.412 1.00 0.00 C ATOM 459 C LEU A 46 -0.506 -11.787 -1.577 1.00 0.00 C ATOM 460 O LEU A 46 -0.869 -11.348 -2.670 1.00 0.00 O ATOM 461 CB LEU A 46 1.078 -10.067 -0.585 1.00 0.00 C ATOM 462 CG LEU A 46 0.969 -8.776 -1.390 1.00 0.00 C ATOM 463 CD1 LEU A 46 -0.241 -7.893 -1.100 1.00 0.00 C ATOM 464 CD2 LEU A 46 2.259 -8.010 -1.095 1.00 0.00 C ATOM 0 H LEU A 46 0.774 -11.217 1.384 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.117 -10.220 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.471 -9.827 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.807 -10.716 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 46 0.829 -9.044 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.205 -7.007 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.155 -8.450 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.228 -7.590 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.255 -7.066 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.327 -7.811 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.116 -8.606 -1.408 1.00 0.00 H new ATOM 466 N GLN A 47 -0.104 -13.044 -1.424 1.00 0.00 N ATOM 467 CA GLN A 47 -0.416 -14.061 -2.447 1.00 0.00 C ATOM 468 C GLN A 47 -1.736 -14.821 -2.216 1.00 0.00 C ATOM 469 O GLN A 47 -2.415 -15.190 -3.181 1.00 0.00 O ATOM 470 CB GLN A 47 0.776 -14.993 -2.684 1.00 0.00 C ATOM 471 CG GLN A 47 1.865 -14.301 -3.507 1.00 0.00 C ATOM 472 CD GLN A 47 1.390 -13.927 -4.924 1.00 0.00 C ATOM 473 OE1 GLN A 47 1.315 -14.745 -5.825 1.00 0.00 O ATOM 474 NE2 GLN A 47 0.946 -12.698 -5.113 1.00 0.00 N ATOM 0 H GLN A 47 0.427 -13.388 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.594 -13.508 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.188 -15.312 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.441 -15.892 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.190 -13.400 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.732 -14.957 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.008 -12.012 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.541 -12.434 -6.011 1.00 0.00 H new ATOM 478 N ALA A 48 -2.229 -14.748 -0.986 1.00 0.00 N ATOM 479 CA ALA A 48 -3.458 -15.423 -0.530 1.00 0.00 C ATOM 480 C ALA A 48 -4.783 -14.722 -0.879 1.00 0.00 C ATOM 481 O ALA A 48 -5.411 -14.036 -0.059 1.00 0.00 O ATOM 482 CB ALA A 48 -3.326 -15.700 0.977 1.00 0.00 C ATOM 0 H ALA A 48 -1.779 -14.204 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.532 -16.353 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.226 -16.200 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.461 -16.339 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.197 -14.758 1.510 1.00 0.00 H new ATOM 484 N GLY A 49 -5.073 -14.746 -2.178 1.00 0.00 N ATOM 485 CA GLY A 49 -6.340 -14.237 -2.746 1.00 0.00 C ATOM 486 C GLY A 49 -6.328 -12.875 -3.466 1.00 0.00 C ATOM 487 O GLY A 49 -6.763 -11.871 -2.905 1.00 0.00 O ATOM 0 H GLY A 49 -4.436 -15.121 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.710 -14.981 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.066 -14.177 -1.935 1.00 0.00 H new ATOM 489 N GLY A 50 -5.905 -12.920 -4.725 1.00 0.00 N ATOM 490 CA GLY A 50 -5.826 -11.801 -5.708 1.00 0.00 C ATOM 491 C GLY A 50 -5.844 -10.349 -5.201 1.00 0.00 C ATOM 492 O GLY A 50 -6.784 -9.595 -5.447 1.00 0.00 O ATOM 0 H GLY A 50 -5.580 -13.797 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.910 -11.935 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.659 -11.916 -6.402 1.00 0.00 H new ATOM 494 N TYR A 51 -4.685 -9.935 -4.682 1.00 0.00 N ATOM 495 CA TYR A 51 -4.490 -8.555 -4.200 1.00 0.00 C ATOM 496 C TYR A 51 -4.121 -7.635 -5.362 1.00 0.00 C ATOM 497 O TYR A 51 -3.306 -7.984 -6.211 1.00 0.00 O ATOM 498 CB TYR A 51 -3.394 -8.488 -3.131 1.00 0.00 C ATOM 499 CG TYR A 51 -3.814 -9.208 -1.852 1.00 0.00 C ATOM 500 CD1 TYR A 51 -3.678 -10.613 -1.783 1.00 0.00 C ATOM 501 CD2 TYR A 51 -4.487 -8.475 -0.853 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.282 -11.306 -0.727 1.00 0.00 C ATOM 503 CE2 TYR A 51 -5.085 -9.174 0.216 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.990 -10.585 0.250 1.00 0.00 C ATOM 505 OH TYR A 51 -5.679 -11.309 1.173 1.00 0.00 O ATOM 0 H TYR A 51 -3.864 -10.532 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.429 -8.225 -3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.479 -8.936 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.168 -7.446 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.115 -11.145 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.544 -7.398 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.205 -12.381 -0.664 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.607 -8.640 0.996 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.687 -12.253 0.909 1.00 0.00 H new ATOM 508 N GLY A 52 -4.888 -6.547 -5.453 1.00 0.00 N ATOM 509 CA GLY A 52 -4.670 -5.517 -6.484 1.00 0.00 C ATOM 510 C GLY A 52 -3.993 -4.262 -5.916 1.00 0.00 C ATOM 511 O GLY A 52 -3.955 -3.249 -6.605 1.00 0.00 O ATOM 0 H GLY A 52 -5.669 -6.351 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.054 -5.930 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.627 -5.242 -6.928 1.00 0.00 H new ATOM 513 N PHE A 53 -3.550 -4.337 -4.652 1.00 0.00 N ATOM 514 CA PHE A 53 -2.891 -3.220 -3.943 1.00 0.00 C ATOM 515 C PHE A 53 -2.169 -3.575 -2.627 1.00 0.00 C ATOM 516 O PHE A 53 -2.657 -4.369 -1.817 1.00 0.00 O ATOM 517 CB PHE A 53 -3.950 -2.191 -3.573 1.00 0.00 C ATOM 518 CG PHE A 53 -3.568 -0.787 -4.018 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.864 0.051 -3.120 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.989 -0.325 -5.284 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.594 1.382 -3.511 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.713 1.001 -5.663 1.00 0.00 C ATOM 523 CZ PHE A 53 -3.018 1.842 -4.768 1.00 0.00 C ATOM 0 H PHE A 53 -3.638 -5.180 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.130 -2.870 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.900 -2.469 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.101 -2.200 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.541 -0.318 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.519 -0.984 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.062 2.044 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.029 1.371 -6.627 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.808 2.861 -5.056 1.00 0.00 H new ATOM 525 N VAL A 54 -1.062 -2.870 -2.425 1.00 0.00 N ATOM 526 CA VAL A 54 -0.233 -2.939 -1.199 1.00 0.00 C ATOM 527 C VAL A 54 -0.149 -1.506 -0.672 1.00 0.00 C ATOM 528 O VAL A 54 0.407 -0.614 -1.317 1.00 0.00 O ATOM 529 CB VAL A 54 1.207 -3.434 -1.438 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.929 -3.670 -0.101 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.236 -4.716 -2.263 1.00 0.00 C ATOM 0 H VAL A 54 -0.696 -2.216 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.694 -3.650 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 54 1.723 -2.654 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.944 -4.019 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.966 -2.737 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.390 -4.421 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.269 -5.031 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.688 -5.499 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.771 -4.535 -3.232 1.00 0.00 H new ATOM 533 N ILE A 55 -0.800 -1.300 0.457 1.00 0.00 N ATOM 534 CA ILE A 55 -0.827 -0.004 1.168 1.00 0.00 C ATOM 535 C ILE A 55 -0.112 -0.227 2.514 1.00 0.00 C ATOM 536 O ILE A 55 -0.630 -0.850 3.435 1.00 0.00 O ATOM 537 CB ILE A 55 -2.265 0.555 1.224 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.322 1.894 1.961 1.00 0.00 C ATOM 539 CG2 ILE A 55 -3.273 -0.433 1.794 1.00 0.00 C ATOM 540 CD1 ILE A 55 -3.670 2.630 1.944 1.00 0.00 C ATOM 0 H ILE A 55 -1.338 -2.029 0.926 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.287 0.789 0.652 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.558 0.726 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.040 1.724 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.568 2.553 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.263 0.023 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.294 -1.330 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.985 -0.701 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.582 3.564 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.954 2.846 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.432 2.004 2.407 1.00 0.00 H new ATOM 542 N SER A 56 1.163 0.165 2.500 1.00 0.00 N ATOM 543 CA SER A 56 2.071 -0.058 3.643 1.00 0.00 C ATOM 544 C SER A 56 2.744 1.123 4.340 1.00 0.00 C ATOM 545 O SER A 56 3.343 1.993 3.707 1.00 0.00 O ATOM 546 CB SER A 56 3.170 -1.053 3.236 1.00 0.00 C ATOM 547 OG SER A 56 3.700 -1.681 4.416 1.00 0.00 O ATOM 0 H SER A 56 1.598 0.641 1.710 1.00 0.00 H new ATOM 0 HA SER A 56 1.371 -0.417 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.764 -1.806 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.964 -0.536 2.697 1.00 0.00 H new ATOM 0 HG SER A 56 3.099 -1.516 5.172 1.00 0.00 H new ATOM 550 N ASP A 57 2.829 0.970 5.655 1.00 0.00 N ATOM 551 CA ASP A 57 3.466 1.949 6.565 1.00 0.00 C ATOM 552 C ASP A 57 4.992 1.907 6.392 1.00 0.00 C ATOM 553 O ASP A 57 5.600 0.842 6.467 1.00 0.00 O ATOM 554 CB ASP A 57 3.102 1.614 8.020 1.00 0.00 C ATOM 555 CG ASP A 57 3.418 2.707 9.051 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.430 3.420 8.878 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.606 2.828 9.998 1.00 0.00 O ATOM 0 H ASP A 57 2.455 0.154 6.140 1.00 0.00 H new ATOM 0 HA ASP A 57 3.106 2.949 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.036 1.392 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.630 0.705 8.308 1.00 0.00 H new ATOM 559 N TRP A 58 5.585 3.086 6.192 1.00 0.00 N ATOM 560 CA TRP A 58 7.047 3.254 6.028 1.00 0.00 C ATOM 561 C TRP A 58 7.849 2.625 7.188 1.00 0.00 C ATOM 562 O TRP A 58 8.837 1.924 6.960 1.00 0.00 O ATOM 563 CB TRP A 58 7.372 4.749 5.941 1.00 0.00 C ATOM 564 CG TRP A 58 8.781 5.021 5.391 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.905 5.159 6.096 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.108 5.264 4.064 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.920 5.462 5.291 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.485 5.555 4.030 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.351 5.245 2.873 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.129 5.828 2.803 1.00 0.00 C ATOM 571 CZ3 TRP A 58 9.000 5.512 1.657 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.381 5.790 1.624 1.00 0.00 C ATOM 0 H TRP A 58 5.068 3.963 6.137 1.00 0.00 H new ATOM 0 HA TRP A 58 7.338 2.737 5.113 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.637 5.239 5.303 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.281 5.194 6.932 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.980 5.042 7.167 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.885 5.602 5.591 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.293 5.029 2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.183 6.062 2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.435 5.504 0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.866 5.976 0.677 1.00 0.00 H new ATOM 575 N ASN A 59 7.316 2.767 8.400 1.00 0.00 N ATOM 576 CA ASN A 59 7.935 2.243 9.628 1.00 0.00 C ATOM 577 C ASN A 59 7.173 0.999 10.116 1.00 0.00 C ATOM 578 O ASN A 59 6.010 1.088 10.511 1.00 0.00 O ATOM 579 CB ASN A 59 7.941 3.354 10.680 1.00 0.00 C ATOM 580 CG ASN A 59 8.734 2.969 11.931 1.00 0.00 C ATOM 581 OD1 ASN A 59 9.784 2.343 11.887 1.00 0.00 O ATOM 582 ND2 ASN A 59 8.170 3.241 13.083 1.00 0.00 N ATOM 0 H ASN A 59 6.434 3.253 8.565 1.00 0.00 H new ATOM 0 HA ASN A 59 8.963 1.935 9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.368 4.259 10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.915 3.589 10.962 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.607 2.930 13.951 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.294 3.763 13.111 1.00 0.00 H new ATOM 586 N MET A 60 7.824 -0.145 9.957 1.00 0.00 N ATOM 587 CA MET A 60 7.290 -1.466 10.351 1.00 0.00 C ATOM 588 C MET A 60 8.415 -2.318 10.982 1.00 0.00 C ATOM 589 O MET A 60 9.488 -2.409 10.392 1.00 0.00 O ATOM 590 CB MET A 60 6.676 -2.167 9.125 1.00 0.00 C ATOM 591 CG MET A 60 5.379 -1.525 8.633 1.00 0.00 C ATOM 592 SD MET A 60 4.526 -2.521 7.361 1.00 0.00 S ATOM 593 CE MET A 60 5.826 -2.807 6.173 1.00 0.00 C ATOM 0 H MET A 60 8.755 -0.195 9.544 1.00 0.00 H new ATOM 0 HA MET A 60 6.505 -1.338 11.096 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.403 -2.162 8.313 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.482 -3.210 9.374 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.709 -1.377 9.480 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.600 -0.538 8.226 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.396 -3.196 5.250 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.343 -1.870 5.966 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.534 -3.531 6.576 1.00 0.00 H new ATOM 595 N PRO A 61 8.214 -2.855 12.197 1.00 0.00 N ATOM 596 CA PRO A 61 9.218 -3.671 12.920 1.00 0.00 C ATOM 597 C PRO A 61 9.540 -4.975 12.173 1.00 0.00 C ATOM 598 O PRO A 61 8.696 -5.861 12.068 1.00 0.00 O ATOM 599 CB PRO A 61 8.618 -3.912 14.311 1.00 0.00 C ATOM 600 CG PRO A 61 7.112 -3.810 14.086 1.00 0.00 C ATOM 601 CD PRO A 61 6.983 -2.731 13.015 1.00 0.00 C ATOM 0 HA PRO A 61 10.179 -3.162 12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.898 -4.890 14.702 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.965 -3.170 15.030 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.691 -4.759 13.753 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.588 -3.532 15.000 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.089 -2.881 12.409 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.903 -1.740 13.461 1.00 0.00 H new ATOM 602 N ASN A 62 10.826 -5.061 11.807 1.00 0.00 N ATOM 603 CA ASN A 62 11.513 -6.128 11.045 1.00 0.00 C ATOM 604 C ASN A 62 11.655 -5.717 9.570 1.00 0.00 C ATOM 605 O ASN A 62 12.667 -5.110 9.220 1.00 0.00 O ATOM 606 CB ASN A 62 10.972 -7.558 11.197 1.00 0.00 C ATOM 607 CG ASN A 62 11.176 -8.088 12.622 1.00 0.00 C ATOM 608 OD1 ASN A 62 12.226 -8.574 12.999 1.00 0.00 O ATOM 609 ND2 ASN A 62 10.171 -7.926 13.449 1.00 0.00 N ATOM 0 H ASN A 62 11.478 -4.318 12.058 1.00 0.00 H new ATOM 0 HA ASN A 62 12.494 -6.206 11.513 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.910 -7.575 10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.475 -8.216 10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.263 -8.209 14.425 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.298 -7.517 13.117 1.00 0.00 H new ATOM 613 N MET A 63 10.561 -5.801 8.816 1.00 0.00 N ATOM 614 CA MET A 63 10.574 -5.409 7.394 1.00 0.00 C ATOM 615 C MET A 63 9.717 -4.152 7.195 1.00 0.00 C ATOM 616 O MET A 63 8.487 -4.201 7.253 1.00 0.00 O ATOM 617 CB MET A 63 10.121 -6.574 6.514 1.00 0.00 C ATOM 618 CG MET A 63 10.308 -6.260 5.024 1.00 0.00 C ATOM 619 SD MET A 63 9.652 -7.539 3.883 1.00 0.00 S ATOM 620 CE MET A 63 10.871 -8.820 4.076 1.00 0.00 C ATOM 0 H MET A 63 9.658 -6.133 9.155 1.00 0.00 H new ATOM 0 HA MET A 63 11.591 -5.163 7.089 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.688 -7.468 6.772 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.072 -6.794 6.712 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.820 -5.311 4.803 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.371 -6.126 4.825 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.547 -9.714 3.542 1.00 0.00 H new ATOM 0 HE2 MET A 63 11.824 -8.480 3.670 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.990 -9.053 5.134 1.00 0.00 H new ATOM 622 N ASP A 64 10.441 -3.038 7.251 1.00 0.00 N ATOM 623 CA ASP A 64 9.883 -1.675 7.059 1.00 0.00 C ATOM 624 C ASP A 64 9.230 -1.507 5.675 1.00 0.00 C ATOM 625 O ASP A 64 9.665 -2.160 4.724 1.00 0.00 O ATOM 626 CB ASP A 64 10.977 -0.624 7.308 1.00 0.00 C ATOM 627 CG ASP A 64 12.136 -0.708 6.314 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.954 -0.159 5.203 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.113 -1.405 6.630 1.00 0.00 O ATOM 0 H ASP A 64 11.445 -3.041 7.432 1.00 0.00 H new ATOM 0 HA ASP A 64 9.087 -1.525 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.534 0.371 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.365 -0.747 8.319 1.00 0.00 H new ATOM 631 N GLY A 65 8.397 -0.478 5.538 1.00 0.00 N ATOM 632 CA GLY A 65 7.661 -0.156 4.298 1.00 0.00 C ATOM 633 C GLY A 65 8.539 -0.090 3.042 1.00 0.00 C ATOM 634 O GLY A 65 8.300 -0.829 2.086 1.00 0.00 O ATOM 0 H GLY A 65 8.204 0.175 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.884 -0.905 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.158 0.802 4.426 1.00 0.00 H new ATOM 636 N LEU A 66 9.597 0.716 3.101 1.00 0.00 N ATOM 637 CA LEU A 66 10.539 0.879 1.978 1.00 0.00 C ATOM 638 C LEU A 66 11.216 -0.446 1.570 1.00 0.00 C ATOM 639 O LEU A 66 11.360 -0.737 0.382 1.00 0.00 O ATOM 640 CB LEU A 66 11.529 1.995 2.357 1.00 0.00 C ATOM 641 CG LEU A 66 12.550 2.273 1.258 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.922 2.794 -0.036 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.571 3.319 1.725 1.00 0.00 C ATOM 0 H LEU A 66 9.831 1.275 3.921 1.00 0.00 H new ATOM 0 HA LEU A 66 10.002 1.175 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.975 2.909 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.052 1.716 3.272 1.00 0.00 H new ATOM 0 HG LEU A 66 13.024 1.313 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.704 2.971 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.219 2.056 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.395 3.727 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.292 3.505 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.055 4.247 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.093 2.949 2.608 1.00 0.00 H new ATOM 645 N GLU A 67 11.544 -1.284 2.555 1.00 0.00 N ATOM 646 CA GLU A 67 12.135 -2.620 2.318 1.00 0.00 C ATOM 647 C GLU A 67 11.083 -3.573 1.713 1.00 0.00 C ATOM 648 O GLU A 67 11.383 -4.300 0.767 1.00 0.00 O ATOM 649 CB GLU A 67 12.707 -3.173 3.623 1.00 0.00 C ATOM 650 CG GLU A 67 13.565 -4.422 3.393 1.00 0.00 C ATOM 651 CD GLU A 67 14.157 -4.961 4.695 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.395 -5.045 5.692 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.364 -5.290 4.661 1.00 0.00 O ATOM 0 H GLU A 67 11.411 -1.064 3.542 1.00 0.00 H new ATOM 0 HA GLU A 67 12.951 -2.531 1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.309 -2.405 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.890 -3.415 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.959 -5.196 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.372 -4.184 2.700 1.00 0.00 H new ATOM 655 N LEU A 68 9.843 -3.508 2.218 1.00 0.00 N ATOM 656 CA LEU A 68 8.702 -4.296 1.714 1.00 0.00 C ATOM 657 C LEU A 68 8.494 -4.029 0.213 1.00 0.00 C ATOM 658 O LEU A 68 8.381 -4.970 -0.574 1.00 0.00 O ATOM 659 CB LEU A 68 7.427 -3.992 2.533 1.00 0.00 C ATOM 660 CG LEU A 68 6.183 -4.709 1.984 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.296 -6.226 2.046 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.945 -4.253 2.754 1.00 0.00 C ATOM 0 H LEU A 68 9.598 -2.899 2.999 1.00 0.00 H new ATOM 0 HA LEU A 68 8.921 -5.357 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.586 -4.291 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.250 -2.917 2.535 1.00 0.00 H new ATOM 0 HG LEU A 68 6.098 -4.439 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.388 -6.675 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.153 -6.551 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.428 -6.539 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.065 -4.763 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.064 -4.494 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.821 -3.176 2.639 1.00 0.00 H new ATOM 664 N LEU A 69 8.555 -2.742 -0.141 1.00 0.00 N ATOM 665 CA LEU A 69 8.477 -2.238 -1.518 1.00 0.00 C ATOM 666 C LEU A 69 9.448 -3.036 -2.410 1.00 0.00 C ATOM 667 O LEU A 69 9.011 -3.735 -3.329 1.00 0.00 O ATOM 668 CB LEU A 69 8.886 -0.765 -1.392 1.00 0.00 C ATOM 669 CG LEU A 69 8.674 0.160 -2.596 1.00 0.00 C ATOM 670 CD1 LEU A 69 9.036 1.571 -2.154 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.510 -0.226 -3.820 1.00 0.00 C ATOM 0 H LEU A 69 8.664 -1.996 0.546 1.00 0.00 H new ATOM 0 HA LEU A 69 7.493 -2.341 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.341 -0.341 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.945 -0.736 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 69 7.633 0.079 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.897 2.260 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.393 1.869 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.077 1.596 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.309 0.472 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.569 -0.189 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.248 -1.236 -4.136 1.00 0.00 H new ATOM 673 N LYS A 70 10.702 -3.127 -1.958 1.00 0.00 N ATOM 674 CA LYS A 70 11.791 -3.861 -2.640 1.00 0.00 C ATOM 675 C LYS A 70 11.481 -5.363 -2.801 1.00 0.00 C ATOM 676 O LYS A 70 11.573 -5.885 -3.909 1.00 0.00 O ATOM 677 CB LYS A 70 13.105 -3.654 -1.891 1.00 0.00 C ATOM 678 CG LYS A 70 13.547 -2.195 -1.966 1.00 0.00 C ATOM 679 CD LYS A 70 14.779 -1.930 -1.102 1.00 0.00 C ATOM 680 CE LYS A 70 15.281 -0.490 -1.265 1.00 0.00 C ATOM 681 NZ LYS A 70 15.833 -0.293 -2.611 1.00 0.00 N ATOM 0 H LYS A 70 11.003 -2.685 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 70 11.882 -3.454 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.985 -3.949 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.877 -4.295 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.766 -1.934 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.730 -1.551 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.538 -2.116 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.572 -2.626 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.463 0.209 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.044 -0.277 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.377 0.593 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.457 -1.090 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.056 -0.242 -3.301 1.00 0.00 H new ATOM 686 N THR A 71 10.997 -6.002 -1.734 1.00 0.00 N ATOM 687 CA THR A 71 10.604 -7.439 -1.758 1.00 0.00 C ATOM 688 C THR A 71 9.469 -7.808 -2.717 1.00 0.00 C ATOM 689 O THR A 71 9.244 -8.979 -3.012 1.00 0.00 O ATOM 690 CB THR A 71 10.399 -7.998 -0.346 1.00 0.00 C ATOM 691 OG1 THR A 71 9.629 -7.121 0.478 1.00 0.00 O ATOM 692 CG2 THR A 71 11.746 -8.302 0.295 1.00 0.00 C ATOM 0 H THR A 71 10.862 -5.554 -0.828 1.00 0.00 H new ATOM 0 HA THR A 71 11.465 -7.944 -2.196 1.00 0.00 H new ATOM 0 HB THR A 71 9.830 -8.923 -0.437 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.189 -6.448 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.590 -8.699 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.278 -9.038 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.336 -7.387 0.354 1.00 0.00 H new ATOM 695 N ILE A 72 8.758 -6.774 -3.173 1.00 0.00 N ATOM 696 CA ILE A 72 7.675 -6.874 -4.178 1.00 0.00 C ATOM 697 C ILE A 72 8.282 -6.548 -5.558 1.00 0.00 C ATOM 698 O ILE A 72 8.625 -7.452 -6.317 1.00 0.00 O ATOM 699 CB ILE A 72 6.508 -5.925 -3.826 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.970 -6.168 -2.407 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.367 -6.095 -4.844 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.254 -4.942 -1.830 1.00 0.00 C ATOM 0 H ILE A 72 8.916 -5.819 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 72 7.258 -7.881 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 72 6.896 -4.907 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.281 -7.012 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.796 -6.444 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.548 -5.422 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.733 -5.858 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.011 -7.125 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.894 -5.169 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.948 -4.103 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.409 -4.680 -2.467 1.00 0.00 H new ATOM 704 N ARG A 73 8.714 -5.287 -5.685 1.00 0.00 N ATOM 705 CA ARG A 73 9.288 -4.657 -6.893 1.00 0.00 C ATOM 706 C ARG A 73 10.470 -5.412 -7.527 1.00 0.00 C ATOM 707 O ARG A 73 10.481 -5.598 -8.747 1.00 0.00 O ATOM 708 CB ARG A 73 9.635 -3.201 -6.566 1.00 0.00 C ATOM 709 CG ARG A 73 9.858 -2.336 -7.820 1.00 0.00 C ATOM 710 CD ARG A 73 8.665 -2.300 -8.794 1.00 0.00 C ATOM 711 NE ARG A 73 7.440 -1.811 -8.143 1.00 0.00 N ATOM 712 CZ ARG A 73 6.227 -2.371 -8.219 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.916 -3.303 -9.119 1.00 0.00 N ATOM 714 NH2 ARG A 73 5.234 -1.858 -7.515 1.00 0.00 N ATOM 0 H ARG A 73 8.672 -4.635 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 73 8.526 -4.699 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.831 -2.767 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.535 -3.178 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.085 -1.317 -7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.733 -2.709 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.907 -1.658 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.491 -3.300 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 73 7.523 -0.964 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.617 -3.619 -9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.977 -3.701 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.396 -1.044 -6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.305 -2.276 -7.564 1.00 0.00 H new ATOM 721 N ALA A 74 11.404 -5.900 -6.713 1.00 0.00 N ATOM 722 CA ALA A 74 12.595 -6.635 -7.207 1.00 0.00 C ATOM 723 C ALA A 74 12.393 -8.153 -7.367 1.00 0.00 C ATOM 724 O ALA A 74 13.194 -8.839 -8.008 1.00 0.00 O ATOM 725 CB ALA A 74 13.774 -6.349 -6.273 1.00 0.00 C ATOM 0 H ALA A 74 11.369 -5.805 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 74 12.792 -6.270 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.656 -6.884 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.979 -5.278 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.528 -6.681 -5.264 1.00 0.00 H new ATOM 727 N ASP A 75 11.275 -8.658 -6.852 1.00 0.00 N ATOM 728 CA ASP A 75 10.964 -10.091 -6.913 1.00 0.00 C ATOM 729 C ASP A 75 10.195 -10.398 -8.206 1.00 0.00 C ATOM 730 O ASP A 75 9.038 -10.003 -8.361 1.00 0.00 O ATOM 731 CB ASP A 75 10.191 -10.502 -5.654 1.00 0.00 C ATOM 732 CG ASP A 75 9.939 -12.011 -5.608 1.00 0.00 C ATOM 733 OD1 ASP A 75 9.000 -12.439 -6.323 1.00 0.00 O ATOM 734 OD2 ASP A 75 10.760 -12.717 -4.985 1.00 0.00 O ATOM 0 H ASP A 75 10.564 -8.096 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 75 11.881 -10.679 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.751 -10.200 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.238 -9.973 -5.624 1.00 0.00 H new ATOM 736 N GLY A 76 10.875 -11.141 -9.078 1.00 0.00 N ATOM 737 CA GLY A 76 10.424 -11.613 -10.412 1.00 0.00 C ATOM 738 C GLY A 76 8.984 -12.158 -10.567 1.00 0.00 C ATOM 739 O GLY A 76 8.548 -12.405 -11.678 1.00 0.00 O ATOM 0 H GLY A 76 11.822 -11.458 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.539 -10.784 -11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.109 -12.398 -10.732 1.00 0.00 H new ATOM 741 N ALA A 77 8.374 -12.525 -9.443 1.00 0.00 N ATOM 742 CA ALA A 77 6.979 -13.016 -9.390 1.00 0.00 C ATOM 743 C ALA A 77 6.007 -11.912 -8.934 1.00 0.00 C ATOM 744 O ALA A 77 5.082 -11.532 -9.649 1.00 0.00 O ATOM 745 CB ALA A 77 6.912 -14.221 -8.453 1.00 0.00 C ATOM 0 H ALA A 77 8.828 -12.494 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 77 6.672 -13.314 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.887 -14.590 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.565 -15.009 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.236 -13.924 -7.455 1.00 0.00 H new ATOM 747 N MET A 78 6.376 -11.285 -7.811 1.00 0.00 N ATOM 748 CA MET A 78 5.644 -10.204 -7.115 1.00 0.00 C ATOM 749 C MET A 78 5.572 -8.816 -7.775 1.00 0.00 C ATOM 750 O MET A 78 4.675 -8.040 -7.429 1.00 0.00 O ATOM 751 CB MET A 78 6.290 -10.040 -5.736 1.00 0.00 C ATOM 752 CG MET A 78 6.150 -11.269 -4.834 1.00 0.00 C ATOM 753 SD MET A 78 4.453 -11.522 -4.214 1.00 0.00 S ATOM 754 CE MET A 78 4.419 -10.228 -2.991 1.00 0.00 C ATOM 0 H MET A 78 7.243 -11.528 -7.331 1.00 0.00 H new ATOM 0 HA MET A 78 4.606 -10.536 -7.116 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.349 -9.816 -5.866 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.842 -9.182 -5.236 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.463 -12.154 -5.388 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.827 -11.167 -3.986 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.032 -10.624 -2.052 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.429 -9.848 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.776 -9.418 -3.336 1.00 0.00 H new ATOM 756 N SER A 79 6.552 -8.496 -8.632 1.00 0.00 N ATOM 757 CA SER A 79 6.718 -7.203 -9.373 1.00 0.00 C ATOM 758 C SER A 79 5.571 -6.743 -10.317 1.00 0.00 C ATOM 759 O SER A 79 5.754 -6.193 -11.400 1.00 0.00 O ATOM 760 CB SER A 79 8.051 -7.279 -10.123 1.00 0.00 C ATOM 761 OG SER A 79 8.493 -5.966 -10.494 1.00 0.00 O ATOM 0 H SER A 79 7.298 -9.156 -8.850 1.00 0.00 H new ATOM 0 HA SER A 79 6.690 -6.424 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.802 -7.758 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.939 -7.897 -11.014 1.00 0.00 H new ATOM 0 HG SER A 79 9.398 -5.816 -10.149 1.00 0.00 H new ATOM 764 N ALA A 80 4.362 -6.980 -9.839 1.00 0.00 N ATOM 765 CA ALA A 80 3.078 -6.618 -10.467 1.00 0.00 C ATOM 766 C ALA A 80 2.224 -5.752 -9.522 1.00 0.00 C ATOM 767 O ALA A 80 1.675 -4.717 -9.929 1.00 0.00 O ATOM 768 CB ALA A 80 2.317 -7.905 -10.822 1.00 0.00 C ATOM 0 H ALA A 80 4.229 -7.459 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 80 3.277 -6.038 -11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.365 -7.648 -11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.911 -8.500 -11.516 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.134 -8.481 -9.915 1.00 0.00 H new ATOM 770 N LEU A 81 2.296 -6.074 -8.236 1.00 0.00 N ATOM 771 CA LEU A 81 1.563 -5.426 -7.136 1.00 0.00 C ATOM 772 C LEU A 81 1.949 -3.965 -6.861 1.00 0.00 C ATOM 773 O LEU A 81 3.081 -3.695 -6.446 1.00 0.00 O ATOM 774 CB LEU A 81 1.757 -6.266 -5.867 1.00 0.00 C ATOM 775 CG LEU A 81 0.975 -7.570 -5.957 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.721 -8.708 -5.268 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.421 -7.369 -5.373 1.00 0.00 C ATOM 0 H LEU A 81 2.895 -6.831 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 81 0.519 -5.382 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.816 -6.481 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.428 -5.699 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 81 0.872 -7.853 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.139 -9.626 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.690 -8.850 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.868 -8.463 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.980 -8.302 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.339 -7.067 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.942 -6.594 -5.935 1.00 0.00 H new ATOM 779 N PRO A 82 0.992 -3.029 -7.024 1.00 0.00 N ATOM 780 CA PRO A 82 1.226 -1.596 -6.756 1.00 0.00 C ATOM 781 C PRO A 82 1.549 -1.357 -5.281 1.00 0.00 C ATOM 782 O PRO A 82 0.844 -1.818 -4.383 1.00 0.00 O ATOM 783 CB PRO A 82 -0.061 -0.883 -7.186 1.00 0.00 C ATOM 784 CG PRO A 82 -1.109 -1.981 -7.131 1.00 0.00 C ATOM 785 CD PRO A 82 -0.364 -3.247 -7.544 1.00 0.00 C ATOM 0 HA PRO A 82 2.086 -1.214 -7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.307 -0.059 -6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.028 -0.463 -8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.530 -2.078 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.938 -1.771 -7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.820 -4.139 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.363 -3.378 -8.626 1.00 0.00 H new ATOM 786 N VAL A 83 2.533 -0.491 -5.082 1.00 0.00 N ATOM 787 CA VAL A 83 3.060 -0.159 -3.746 1.00 0.00 C ATOM 788 C VAL A 83 2.803 1.310 -3.354 1.00 0.00 C ATOM 789 O VAL A 83 3.400 2.248 -3.887 1.00 0.00 O ATOM 790 CB VAL A 83 4.565 -0.493 -3.636 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.970 -0.473 -2.166 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.923 -1.887 -4.170 1.00 0.00 C ATOM 0 H VAL A 83 2.997 0.009 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 83 2.512 -0.782 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 83 5.087 0.253 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.031 -0.708 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.781 0.517 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.388 -1.214 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.995 -2.054 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.379 -2.644 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.650 -1.954 -5.223 1.00 0.00 H new ATOM 794 N LEU A 84 1.907 1.442 -2.380 1.00 0.00 N ATOM 795 CA LEU A 84 1.512 2.728 -1.793 1.00 0.00 C ATOM 796 C LEU A 84 2.121 2.858 -0.387 1.00 0.00 C ATOM 797 O LEU A 84 1.802 2.106 0.532 1.00 0.00 O ATOM 798 CB LEU A 84 -0.011 2.814 -1.720 1.00 0.00 C ATOM 799 CG LEU A 84 -0.533 4.169 -1.220 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.301 5.262 -2.262 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.042 4.075 -0.990 1.00 0.00 C ATOM 0 H LEU A 84 1.423 0.645 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 84 1.880 3.543 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.424 2.619 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.379 2.028 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.002 4.414 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.679 6.212 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.766 5.351 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.824 5.004 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.416 5.035 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.537 3.816 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.249 3.307 -0.245 1.00 0.00 H new ATOM 803 N MET A 85 3.118 3.726 -0.320 1.00 0.00 N ATOM 804 CA MET A 85 3.852 4.028 0.919 1.00 0.00 C ATOM 805 C MET A 85 3.141 5.030 1.814 1.00 0.00 C ATOM 806 O MET A 85 2.938 6.193 1.463 1.00 0.00 O ATOM 807 CB MET A 85 5.265 4.489 0.565 1.00 0.00 C ATOM 808 CG MET A 85 6.169 3.334 0.126 1.00 0.00 C ATOM 809 SD MET A 85 6.616 2.214 1.501 1.00 0.00 S ATOM 810 CE MET A 85 5.649 0.778 1.091 1.00 0.00 C ATOM 0 H MET A 85 3.451 4.251 -1.128 1.00 0.00 H new ATOM 0 HA MET A 85 3.903 3.112 1.507 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.212 5.228 -0.234 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.709 4.984 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.665 2.761 -0.653 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.079 3.740 -0.315 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.744 0.037 1.884 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.602 1.063 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.007 0.354 0.153 1.00 0.00 H new ATOM 812 N VAL A 86 2.684 4.519 2.953 1.00 0.00 N ATOM 813 CA VAL A 86 2.023 5.359 3.954 1.00 0.00 C ATOM 814 C VAL A 86 3.158 5.817 4.869 1.00 0.00 C ATOM 815 O VAL A 86 3.686 5.086 5.715 1.00 0.00 O ATOM 816 CB VAL A 86 0.908 4.704 4.773 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.051 5.825 5.360 1.00 0.00 C ATOM 818 CG2 VAL A 86 -0.013 3.797 3.939 1.00 0.00 C ATOM 0 H VAL A 86 2.757 3.534 3.208 1.00 0.00 H new ATOM 0 HA VAL A 86 1.492 6.160 3.440 1.00 0.00 H new ATOM 0 HB VAL A 86 1.379 4.079 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.756 5.394 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.668 6.460 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.371 6.422 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.780 3.366 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.487 4.384 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.575 2.997 3.489 1.00 0.00 H new ATOM 820 N THR A 87 3.596 7.018 4.550 1.00 0.00 N ATOM 821 CA THR A 87 4.763 7.645 5.205 1.00 0.00 C ATOM 822 C THR A 87 4.446 8.783 6.170 1.00 0.00 C ATOM 823 O THR A 87 3.546 9.588 5.962 1.00 0.00 O ATOM 824 CB THR A 87 5.867 8.034 4.193 1.00 0.00 C ATOM 825 OG1 THR A 87 6.875 8.817 4.844 1.00 0.00 O ATOM 826 CG2 THR A 87 5.349 8.671 2.901 1.00 0.00 C ATOM 0 H THR A 87 3.164 7.600 3.832 1.00 0.00 H new ATOM 0 HA THR A 87 5.155 6.855 5.846 1.00 0.00 H new ATOM 0 HB THR A 87 6.322 7.105 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.062 9.618 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.190 8.911 2.251 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.685 7.973 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.802 9.583 3.139 1.00 0.00 H new ATOM 829 N ALA A 88 5.113 8.698 7.314 1.00 0.00 N ATOM 830 CA ALA A 88 5.034 9.707 8.394 1.00 0.00 C ATOM 831 C ALA A 88 5.822 10.992 8.065 1.00 0.00 C ATOM 832 O ALA A 88 5.725 11.997 8.761 1.00 0.00 O ATOM 833 CB ALA A 88 5.552 9.069 9.686 1.00 0.00 C ATOM 0 H ALA A 88 5.736 7.921 7.533 1.00 0.00 H new ATOM 0 HA ALA A 88 3.994 10.013 8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.503 9.796 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.937 8.204 9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.585 8.751 9.546 1.00 0.00 H new ATOM 835 N GLU A 89 6.586 10.941 6.962 1.00 0.00 N ATOM 836 CA GLU A 89 7.427 12.063 6.499 1.00 0.00 C ATOM 837 C GLU A 89 7.501 12.169 4.966 1.00 0.00 C ATOM 838 O GLU A 89 8.209 11.422 4.292 1.00 0.00 O ATOM 839 CB GLU A 89 8.818 12.020 7.145 1.00 0.00 C ATOM 840 CG GLU A 89 9.525 10.657 7.078 1.00 0.00 C ATOM 841 CD GLU A 89 10.956 10.647 7.645 1.00 0.00 C ATOM 842 OE1 GLU A 89 11.322 11.581 8.384 1.00 0.00 O ATOM 843 OE2 GLU A 89 11.635 9.623 7.399 1.00 0.00 O ATOM 0 H GLU A 89 6.640 10.118 6.362 1.00 0.00 H new ATOM 0 HA GLU A 89 6.937 12.978 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.450 12.764 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.725 12.313 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.928 9.926 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.558 10.331 6.039 1.00 0.00 H new ATOM 845 N ALA A 90 6.636 13.032 4.437 1.00 0.00 N ATOM 846 CA ALA A 90 6.577 13.318 2.984 1.00 0.00 C ATOM 847 C ALA A 90 7.576 14.441 2.632 1.00 0.00 C ATOM 848 O ALA A 90 7.233 15.574 2.308 1.00 0.00 O ATOM 849 CB ALA A 90 5.139 13.647 2.568 1.00 0.00 C ATOM 0 H ALA A 90 5.956 13.555 4.989 1.00 0.00 H new ATOM 0 HA ALA A 90 6.873 12.435 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.108 13.855 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.492 12.798 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.792 14.522 3.118 1.00 0.00 H new ATOM 851 N LYS A 91 8.838 14.096 2.845 1.00 0.00 N ATOM 852 CA LYS A 91 9.998 14.968 2.605 1.00 0.00 C ATOM 853 C LYS A 91 10.899 14.397 1.512 1.00 0.00 C ATOM 854 O LYS A 91 10.996 13.177 1.353 1.00 0.00 O ATOM 855 CB LYS A 91 10.773 15.247 3.908 1.00 0.00 C ATOM 856 CG LYS A 91 11.186 13.987 4.683 1.00 0.00 C ATOM 857 CD LYS A 91 11.878 14.299 6.015 1.00 0.00 C ATOM 858 CE LYS A 91 13.361 14.638 5.851 1.00 0.00 C ATOM 859 NZ LYS A 91 13.935 14.882 7.183 1.00 0.00 N ATOM 0 H LYS A 91 9.099 13.176 3.200 1.00 0.00 H new ATOM 0 HA LYS A 91 9.626 15.928 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.668 15.821 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.158 15.872 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.302 13.379 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.856 13.390 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.370 15.136 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.778 13.441 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.884 13.819 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.481 15.519 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.944 15.114 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.438 15.676 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.829 14.029 7.768 1.00 0.00 H new ATOM 864 N LYS A 92 11.562 15.309 0.807 1.00 0.00 N ATOM 865 CA LYS A 92 12.469 15.029 -0.334 1.00 0.00 C ATOM 866 C LYS A 92 13.278 13.725 -0.227 1.00 0.00 C ATOM 867 O LYS A 92 13.109 12.847 -1.068 1.00 0.00 O ATOM 868 CB LYS A 92 13.366 16.247 -0.593 1.00 0.00 C ATOM 869 CG LYS A 92 13.874 16.227 -2.035 1.00 0.00 C ATOM 870 CD LYS A 92 14.767 17.411 -2.435 1.00 0.00 C ATOM 871 CE LYS A 92 16.114 17.436 -1.702 1.00 0.00 C ATOM 872 NZ LYS A 92 17.054 18.266 -2.475 1.00 0.00 N ATOM 0 H LYS A 92 11.489 16.306 1.012 1.00 0.00 H new ATOM 0 HA LYS A 92 11.826 14.856 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.808 17.165 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.209 16.241 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.431 15.304 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.015 16.199 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.948 17.373 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.235 18.341 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.991 17.840 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.504 16.424 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.973 18.293 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.175 17.860 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.678 19.232 -2.557 1.00 0.00 H new ATOM 877 N GLU A 93 13.974 13.529 0.895 1.00 0.00 N ATOM 878 CA GLU A 93 14.779 12.315 1.155 1.00 0.00 C ATOM 879 C GLU A 93 13.963 11.020 0.950 1.00 0.00 C ATOM 880 O GLU A 93 14.282 10.211 0.076 1.00 0.00 O ATOM 881 CB GLU A 93 15.355 12.412 2.580 1.00 0.00 C ATOM 882 CG GLU A 93 16.481 11.415 2.905 1.00 0.00 C ATOM 883 CD GLU A 93 16.012 9.954 2.992 1.00 0.00 C ATOM 884 OE1 GLU A 93 15.261 9.650 3.942 1.00 0.00 O ATOM 885 OE2 GLU A 93 16.405 9.184 2.092 1.00 0.00 O ATOM 0 H GLU A 93 14.001 14.206 1.657 1.00 0.00 H new ATOM 0 HA GLU A 93 15.595 12.263 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.732 13.423 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.544 12.263 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.254 11.493 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.940 11.696 3.853 1.00 0.00 H new ATOM 887 N ASN A 94 12.854 10.901 1.690 1.00 0.00 N ATOM 888 CA ASN A 94 11.938 9.739 1.602 1.00 0.00 C ATOM 889 C ASN A 94 11.315 9.568 0.209 1.00 0.00 C ATOM 890 O ASN A 94 11.268 8.452 -0.300 1.00 0.00 O ATOM 891 CB ASN A 94 10.821 9.837 2.641 1.00 0.00 C ATOM 892 CG ASN A 94 11.400 9.824 4.047 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.699 10.859 4.627 1.00 0.00 O ATOM 894 ND2 ASN A 94 11.667 8.654 4.586 1.00 0.00 N ATOM 0 H ASN A 94 12.559 11.603 2.369 1.00 0.00 H new ATOM 0 HA ASN A 94 12.555 8.863 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.250 10.752 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.128 9.004 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.127 8.604 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.414 7.797 4.095 1.00 0.00 H new ATOM 898 N ILE A 95 10.924 10.688 -0.404 1.00 0.00 N ATOM 899 CA ILE A 95 10.330 10.720 -1.761 1.00 0.00 C ATOM 900 C ILE A 95 11.308 10.094 -2.772 1.00 0.00 C ATOM 901 O ILE A 95 10.956 9.114 -3.437 1.00 0.00 O ATOM 902 CB ILE A 95 9.933 12.170 -2.116 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.836 12.660 -1.153 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.468 12.302 -3.582 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.606 14.177 -1.168 1.00 0.00 C ATOM 0 H ILE A 95 11.008 11.610 0.023 1.00 0.00 H new ATOM 0 HA ILE A 95 9.419 10.123 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 95 10.818 12.796 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.900 12.161 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.097 12.355 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.199 13.338 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.275 11.998 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.601 11.663 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.817 14.432 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.527 14.687 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.311 14.490 -2.169 1.00 0.00 H new ATOM 907 N ILE A 96 12.556 10.560 -2.757 1.00 0.00 N ATOM 908 CA ILE A 96 13.648 10.061 -3.629 1.00 0.00 C ATOM 909 C ILE A 96 13.798 8.536 -3.461 1.00 0.00 C ATOM 910 O ILE A 96 13.497 7.785 -4.384 1.00 0.00 O ATOM 911 CB ILE A 96 14.941 10.858 -3.329 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.761 12.317 -3.785 1.00 0.00 C ATOM 913 CG2 ILE A 96 16.193 10.244 -3.983 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.800 13.281 -3.194 1.00 0.00 C ATOM 0 H ILE A 96 12.854 11.308 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 96 13.416 10.224 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 96 15.105 10.817 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.818 12.358 -4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.764 12.656 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 96 17.066 10.848 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.337 9.229 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.063 10.220 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.610 14.290 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.729 13.270 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.800 12.968 -3.496 1.00 0.00 H new ATOM 916 N ALA A 97 14.003 8.123 -2.204 1.00 0.00 N ATOM 917 CA ALA A 97 14.166 6.710 -1.812 1.00 0.00 C ATOM 918 C ALA A 97 13.020 5.809 -2.306 1.00 0.00 C ATOM 919 O ALA A 97 13.251 4.869 -3.071 1.00 0.00 O ATOM 920 CB ALA A 97 14.296 6.633 -0.288 1.00 0.00 C ATOM 0 H ALA A 97 14.062 8.768 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 97 15.069 6.332 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.417 5.593 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.165 7.208 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.399 7.043 0.175 1.00 0.00 H new ATOM 922 N ALA A 98 11.796 6.248 -2.027 1.00 0.00 N ATOM 923 CA ALA A 98 10.557 5.534 -2.407 1.00 0.00 C ATOM 924 C ALA A 98 10.374 5.385 -3.925 1.00 0.00 C ATOM 925 O ALA A 98 10.287 4.264 -4.425 1.00 0.00 O ATOM 926 CB ALA A 98 9.359 6.262 -1.769 1.00 0.00 C ATOM 0 H ALA A 98 11.623 7.119 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 98 10.628 4.514 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.436 5.749 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.470 6.264 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.322 7.289 -2.132 1.00 0.00 H new ATOM 928 N ALA A 99 10.465 6.505 -4.641 1.00 0.00 N ATOM 929 CA ALA A 99 10.333 6.537 -6.118 1.00 0.00 C ATOM 930 C ALA A 99 11.386 5.679 -6.822 1.00 0.00 C ATOM 931 O ALA A 99 11.028 4.734 -7.527 1.00 0.00 O ATOM 932 CB ALA A 99 10.401 7.987 -6.603 1.00 0.00 C ATOM 0 H ALA A 99 10.632 7.421 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 99 9.365 6.107 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.304 8.013 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.590 8.560 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.357 8.423 -6.314 1.00 0.00 H new ATOM 934 N GLN A 100 12.646 5.842 -6.408 1.00 0.00 N ATOM 935 CA GLN A 100 13.797 5.107 -6.967 1.00 0.00 C ATOM 936 C GLN A 100 13.723 3.585 -6.742 1.00 0.00 C ATOM 937 O GLN A 100 14.129 2.811 -7.606 1.00 0.00 O ATOM 938 CB GLN A 100 15.109 5.676 -6.408 1.00 0.00 C ATOM 939 CG GLN A 100 15.346 7.099 -6.928 1.00 0.00 C ATOM 940 CD GLN A 100 16.587 7.772 -6.330 1.00 0.00 C ATOM 941 OE1 GLN A 100 17.128 7.420 -5.290 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.033 8.830 -6.973 1.00 0.00 N ATOM 0 H GLN A 100 12.904 6.494 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 100 13.765 5.252 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.074 5.682 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.942 5.034 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.447 7.068 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.470 7.709 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.585 9.126 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.827 9.354 -6.604 1.00 0.00 H new ATOM 946 N ALA A 101 13.209 3.197 -5.579 1.00 0.00 N ATOM 947 CA ALA A 101 13.014 1.786 -5.193 1.00 0.00 C ATOM 948 C ALA A 101 11.873 1.068 -5.952 1.00 0.00 C ATOM 949 O ALA A 101 11.882 -0.164 -6.024 1.00 0.00 O ATOM 950 CB ALA A 101 12.784 1.703 -3.685 1.00 0.00 C ATOM 0 H ALA A 101 12.909 3.857 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 101 13.925 1.259 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.639 0.662 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.650 2.108 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.898 2.280 -3.420 1.00 0.00 H new ATOM 952 N GLY A 102 10.928 1.839 -6.503 1.00 0.00 N ATOM 953 CA GLY A 102 9.768 1.309 -7.253 1.00 0.00 C ATOM 954 C GLY A 102 8.381 1.581 -6.650 1.00 0.00 C ATOM 955 O GLY A 102 7.446 0.819 -6.909 1.00 0.00 O ATOM 0 H GLY A 102 10.941 2.857 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.791 1.728 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.891 0.231 -7.354 1.00 0.00 H new ATOM 957 N ALA A 103 8.251 2.585 -5.785 1.00 0.00 N ATOM 958 CA ALA A 103 6.961 2.955 -5.175 1.00 0.00 C ATOM 959 C ALA A 103 5.991 3.554 -6.200 1.00 0.00 C ATOM 960 O ALA A 103 6.272 4.558 -6.857 1.00 0.00 O ATOM 961 CB ALA A 103 7.136 3.966 -4.037 1.00 0.00 C ATOM 0 H ALA A 103 9.031 3.168 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 103 6.547 2.027 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.161 4.212 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.769 3.535 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.603 4.872 -4.424 1.00 0.00 H new ATOM 963 N SER A 104 4.871 2.853 -6.343 1.00 0.00 N ATOM 964 CA SER A 104 3.758 3.243 -7.251 1.00 0.00 C ATOM 965 C SER A 104 3.104 4.576 -6.825 1.00 0.00 C ATOM 966 O SER A 104 2.431 5.208 -7.629 1.00 0.00 O ATOM 967 CB SER A 104 2.687 2.159 -7.255 1.00 0.00 C ATOM 968 OG SER A 104 3.301 0.876 -7.427 1.00 0.00 O ATOM 0 H SER A 104 4.693 1.987 -5.834 1.00 0.00 H new ATOM 0 HA SER A 104 4.184 3.367 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.128 2.183 -6.320 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.973 2.342 -8.058 1.00 0.00 H new ATOM 0 HG SER A 104 3.079 0.523 -8.314 1.00 0.00 H new ATOM 971 N GLY A 105 3.167 4.854 -5.521 1.00 0.00 N ATOM 972 CA GLY A 105 2.628 6.079 -4.911 1.00 0.00 C ATOM 973 C GLY A 105 2.937 6.127 -3.415 1.00 0.00 C ATOM 974 O GLY A 105 3.465 5.185 -2.829 1.00 0.00 O ATOM 0 H GLY A 105 3.601 4.226 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.056 6.953 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.550 6.122 -5.065 1.00 0.00 H new ATOM 976 N TYR A 106 2.622 7.283 -2.826 1.00 0.00 N ATOM 977 CA TYR A 106 2.811 7.514 -1.383 1.00 0.00 C ATOM 978 C TYR A 106 1.761 8.483 -0.816 1.00 0.00 C ATOM 979 O TYR A 106 1.400 9.464 -1.473 1.00 0.00 O ATOM 980 CB TYR A 106 4.239 7.977 -1.039 1.00 0.00 C ATOM 981 CG TYR A 106 4.578 9.435 -1.387 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.325 10.438 -0.414 1.00 0.00 C ATOM 983 CD2 TYR A 106 5.170 9.736 -2.628 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.662 11.771 -0.700 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.511 11.077 -2.912 1.00 0.00 C ATOM 986 CZ TYR A 106 5.249 12.076 -1.952 1.00 0.00 C ATOM 987 OH TYR A 106 5.571 13.367 -2.226 1.00 0.00 O ATOM 0 H TYR A 106 2.232 8.082 -3.326 1.00 0.00 H new ATOM 0 HA TYR A 106 2.666 6.548 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.398 7.833 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.945 7.327 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.879 10.179 0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.360 8.956 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.476 12.551 0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.968 11.335 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 106 5.966 13.423 -3.121 1.00 0.00 H new ATOM 990 N VAL A 107 1.255 8.135 0.353 1.00 0.00 N ATOM 991 CA VAL A 107 0.281 8.959 1.089 1.00 0.00 C ATOM 992 C VAL A 107 0.797 9.208 2.519 1.00 0.00 C ATOM 993 O VAL A 107 1.367 8.325 3.155 1.00 0.00 O ATOM 994 CB VAL A 107 -1.143 8.368 0.956 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.503 7.284 1.971 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.173 9.506 1.040 1.00 0.00 C ATOM 0 H VAL A 107 1.502 7.269 0.832 1.00 0.00 H new ATOM 0 HA VAL A 107 0.184 9.953 0.652 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.161 7.871 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.521 6.939 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.812 6.447 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.433 7.692 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.178 9.095 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.076 10.014 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.996 10.217 0.233 1.00 0.00 H new ATOM 998 N VAL A 108 0.818 10.484 2.876 1.00 0.00 N ATOM 999 CA VAL A 108 1.289 10.925 4.204 1.00 0.00 C ATOM 1000 C VAL A 108 0.197 10.764 5.281 1.00 0.00 C ATOM 1001 O VAL A 108 -0.979 10.980 5.010 1.00 0.00 O ATOM 1002 CB VAL A 108 1.896 12.341 4.123 1.00 0.00 C ATOM 1003 CG1 VAL A 108 0.866 13.429 3.794 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.666 12.707 5.400 1.00 0.00 C ATOM 0 H VAL A 108 0.515 11.245 2.268 1.00 0.00 H new ATOM 0 HA VAL A 108 2.097 10.269 4.527 1.00 0.00 H new ATOM 0 HB VAL A 108 2.597 12.304 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.362 14.399 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.406 13.215 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.097 13.447 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.077 13.712 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.990 12.674 6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.478 11.996 5.552 1.00 0.00 H new ATOM 1006 N LYS A 109 0.617 10.323 6.465 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.311 10.150 7.602 1.00 0.00 C ATOM 1008 C LYS A 109 -0.321 11.403 8.515 1.00 0.00 C ATOM 1009 O LYS A 109 0.752 11.949 8.787 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.012 8.854 8.382 1.00 0.00 C ATOM 1011 CG LYS A 109 1.323 8.823 9.137 1.00 0.00 C ATOM 1012 CD LYS A 109 1.537 7.514 9.900 1.00 0.00 C ATOM 1013 CE LYS A 109 1.849 6.322 8.981 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.157 6.507 8.329 1.00 0.00 N ATOM 0 H LYS A 109 1.586 10.078 6.671 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.319 10.045 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.817 8.689 9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.032 8.018 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.140 8.964 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.360 9.658 9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.356 7.643 10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.644 7.291 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.851 5.399 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.069 6.223 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.024 6.590 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.606 7.373 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.766 5.689 8.535 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.516 11.912 8.872 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.840 11.393 8.461 1.00 0.00 C ATOM 1021 C PRO A 110 -3.292 11.895 7.084 1.00 0.00 C ATOM 1022 O PRO A 110 -2.931 12.972 6.626 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.788 11.860 9.563 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.163 13.170 10.046 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.659 12.922 9.933 1.00 0.00 C ATOM 0 HA PRO A 110 -2.817 10.309 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.798 12.014 9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.858 11.129 10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.476 14.013 9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.455 13.398 11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.126 13.838 9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.246 12.564 10.876 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.107 11.048 6.455 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.702 11.258 5.114 1.00 0.00 C ATOM 1028 C PHE A 111 -6.190 10.894 5.201 1.00 0.00 C ATOM 1029 O PHE A 111 -6.582 10.028 5.983 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.980 10.451 4.039 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.009 8.942 4.258 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.109 8.356 5.179 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.970 8.166 3.580 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.211 6.981 5.461 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.058 6.788 3.845 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.190 6.207 4.809 1.00 0.00 C ATOM 0 H PHE A 111 -4.388 10.161 6.872 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.593 12.301 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.429 10.674 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.942 10.779 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.352 8.957 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.634 8.626 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.542 6.522 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.778 6.177 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.283 5.157 5.045 1.00 0.00 H new ATOM 1038 N THR A 112 -6.993 11.520 4.346 1.00 0.00 N ATOM 1039 CA THR A 112 -8.455 11.289 4.295 1.00 0.00 C ATOM 1040 C THR A 112 -8.814 10.308 3.166 1.00 0.00 C ATOM 1041 O THR A 112 -7.971 9.975 2.337 1.00 0.00 O ATOM 1042 CB THR A 112 -9.250 12.589 4.035 1.00 0.00 C ATOM 1043 OG1 THR A 112 -8.984 13.064 2.708 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.007 13.650 5.103 1.00 0.00 C ATOM 0 H THR A 112 -6.661 12.203 3.665 1.00 0.00 H new ATOM 0 HA THR A 112 -8.724 10.885 5.271 1.00 0.00 H new ATOM 0 HB THR A 112 -10.313 12.359 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.017 13.155 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.590 14.541 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.309 13.263 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.948 13.906 5.127 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.088 9.908 3.117 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.615 9.029 2.039 1.00 0.00 C ATOM 1049 C ALA A 113 -10.343 9.640 0.653 1.00 0.00 C ATOM 1050 O ALA A 113 -9.778 8.970 -0.207 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.107 8.785 2.251 1.00 0.00 C ATOM 0 H ALA A 113 -10.787 10.175 3.811 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.098 8.070 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.487 8.141 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.263 8.303 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.638 9.737 2.230 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.539 10.957 0.547 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.287 11.735 -0.684 1.00 0.00 C ATOM 1055 C ALA A 114 -8.798 11.745 -1.054 1.00 0.00 C ATOM 1056 O ALA A 114 -8.448 11.470 -2.197 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.803 13.169 -0.490 1.00 0.00 C ATOM 0 H ALA A 114 -10.882 11.527 1.320 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.820 11.260 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.619 13.747 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.873 13.146 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.283 13.633 0.348 1.00 0.00 H new ATOM 1059 N THR A 115 -7.944 11.956 -0.058 1.00 0.00 N ATOM 1060 CA THR A 115 -6.468 11.950 -0.233 1.00 0.00 C ATOM 1061 C THR A 115 -5.999 10.563 -0.732 1.00 0.00 C ATOM 1062 O THR A 115 -5.275 10.472 -1.724 1.00 0.00 O ATOM 1063 CB THR A 115 -5.758 12.341 1.059 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.433 13.462 1.660 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.296 12.724 0.797 1.00 0.00 C ATOM 0 H THR A 115 -8.241 12.138 0.901 1.00 0.00 H new ATOM 0 HA THR A 115 -6.205 12.695 -0.985 1.00 0.00 H new ATOM 0 HB THR A 115 -5.779 11.481 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.977 13.711 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.817 12.998 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.771 11.877 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.259 13.570 0.111 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.538 9.520 -0.105 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.265 8.116 -0.467 1.00 0.00 C ATOM 1070 C LEU A 116 -6.706 7.862 -1.926 1.00 0.00 C ATOM 1071 O LEU A 116 -5.914 7.415 -2.749 1.00 0.00 O ATOM 1072 CB LEU A 116 -6.991 7.188 0.532 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.501 5.727 0.558 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -7.183 4.872 -0.502 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -4.975 5.590 0.503 1.00 0.00 C ATOM 0 H LEU A 116 -7.184 9.618 0.678 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.197 7.904 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.884 7.606 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.055 7.192 0.297 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.800 5.340 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.805 3.851 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.260 4.871 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.973 5.281 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.703 4.535 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.602 6.042 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.533 6.096 1.361 1.00 0.00 H new ATOM 1077 N GLU A 117 -7.920 8.310 -2.242 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.527 8.211 -3.592 1.00 0.00 C ATOM 1079 C GLU A 117 -7.655 8.873 -4.674 1.00 0.00 C ATOM 1080 O GLU A 117 -7.489 8.309 -5.752 1.00 0.00 O ATOM 1081 CB GLU A 117 -9.942 8.793 -3.538 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.766 8.625 -4.825 1.00 0.00 C ATOM 1083 CD GLU A 117 -10.612 9.753 -5.857 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -9.888 10.736 -5.581 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.342 9.679 -6.866 1.00 0.00 O ATOM 0 H GLU A 117 -8.531 8.763 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.589 7.162 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.481 8.322 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.872 9.856 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.485 7.683 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.819 8.544 -4.554 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.113 10.050 -4.374 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.209 10.784 -5.293 1.00 0.00 C ATOM 1089 C GLU A 118 -5.043 9.899 -5.775 1.00 0.00 C ATOM 1090 O GLU A 118 -4.825 9.736 -6.982 1.00 0.00 O ATOM 1091 CB GLU A 118 -5.674 12.061 -4.630 1.00 0.00 C ATOM 1092 CG GLU A 118 -6.784 13.094 -4.412 1.00 0.00 C ATOM 1093 CD GLU A 118 -6.284 14.338 -3.679 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -6.329 14.328 -2.423 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -5.917 15.310 -4.375 1.00 0.00 O ATOM 0 H GLU A 118 -7.280 10.532 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.796 11.065 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.217 11.810 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.891 12.494 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -7.200 13.386 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.593 12.639 -3.841 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.441 9.187 -4.821 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.335 8.242 -5.065 1.00 0.00 C ATOM 1099 C LYS A 119 -3.793 7.003 -5.858 1.00 0.00 C ATOM 1100 O LYS A 119 -3.149 6.618 -6.836 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.669 7.854 -3.737 1.00 0.00 C ATOM 1102 CG LYS A 119 -1.528 8.803 -3.346 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.984 10.228 -3.039 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.786 11.183 -3.029 1.00 0.00 C ATOM 1105 NZ LYS A 119 -1.255 12.565 -2.898 1.00 0.00 N ATOM 0 H LYS A 119 -4.708 9.247 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.595 8.744 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.420 7.850 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.281 6.838 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.017 8.400 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.799 8.832 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.710 10.553 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.487 10.255 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.119 10.936 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.211 11.070 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.439 13.209 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.875 12.799 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.785 12.669 -2.009 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.966 6.471 -5.498 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.592 5.320 -6.178 1.00 0.00 C ATOM 1112 C LEU A 120 -5.727 5.566 -7.690 1.00 0.00 C ATOM 1113 O LEU A 120 -5.176 4.825 -8.507 1.00 0.00 O ATOM 1114 CB LEU A 120 -7.001 5.048 -5.628 1.00 0.00 C ATOM 1115 CG LEU A 120 -7.057 4.486 -4.213 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.525 4.260 -3.835 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -6.291 3.175 -4.089 1.00 0.00 C ATOM 0 H LEU A 120 -5.518 6.828 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.941 4.465 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.567 5.979 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.505 4.350 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.588 5.203 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.582 3.857 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.062 5.207 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.976 3.554 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.357 2.810 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.722 2.437 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.245 3.339 -4.349 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.350 6.697 -8.017 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.608 7.172 -9.389 1.00 0.00 C ATOM 1121 C ASN A 121 -5.331 7.151 -10.257 1.00 0.00 C ATOM 1122 O ASN A 121 -5.258 6.417 -11.242 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.157 8.601 -9.300 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.569 8.709 -8.718 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.159 7.796 -8.159 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.090 9.915 -8.702 1.00 0.00 N ATOM 0 H ASN A 121 -6.706 7.339 -7.309 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.327 6.506 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.480 9.198 -8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.156 9.039 -10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -9.977 10.081 -8.227 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.607 10.685 -9.165 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.303 7.805 -9.726 1.00 0.00 N ATOM 1131 CA LYS A 122 -2.964 7.920 -10.333 1.00 0.00 C ATOM 1132 C LYS A 122 -2.404 6.548 -10.791 1.00 0.00 C ATOM 1133 O LYS A 122 -2.142 6.348 -11.977 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.078 8.588 -9.278 1.00 0.00 C ATOM 1135 CG LYS A 122 -0.594 8.723 -9.638 1.00 0.00 C ATOM 1136 CD LYS A 122 0.227 9.401 -8.539 1.00 0.00 C ATOM 1137 CE LYS A 122 0.266 8.622 -7.218 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.104 9.333 -6.248 1.00 0.00 N ATOM 0 H LYS A 122 -4.372 8.289 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.000 8.516 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.475 9.583 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.157 8.019 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.182 7.733 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.500 9.296 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.247 9.541 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.185 10.393 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.744 8.505 -6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.660 7.620 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.128 8.802 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.070 9.422 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.710 10.280 -6.077 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.487 5.575 -9.892 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.014 4.187 -10.096 1.00 0.00 C ATOM 1145 C ILE A 123 -2.778 3.468 -11.233 1.00 0.00 C ATOM 1146 O ILE A 123 -2.171 3.107 -12.242 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.029 3.481 -8.733 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.876 4.113 -7.924 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.838 1.958 -8.804 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.031 4.093 -6.399 1.00 0.00 C ATOM 0 H ILE A 123 -2.896 5.721 -8.969 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.986 4.171 -10.459 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.009 3.617 -8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.048 3.595 -8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.760 5.149 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.862 1.541 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.639 1.518 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.877 1.733 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.162 4.563 -5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -1.931 4.640 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.110 3.062 -6.055 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.111 3.541 -11.155 1.00 0.00 N ATOM 1153 CA PHE A 124 -5.041 2.919 -12.125 1.00 0.00 C ATOM 1154 C PHE A 124 -4.808 3.435 -13.553 1.00 0.00 C ATOM 1155 O PHE A 124 -4.598 2.642 -14.469 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.506 3.140 -11.728 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.890 2.657 -10.324 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -6.069 1.768 -9.590 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -8.013 3.253 -9.706 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.318 1.513 -8.229 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -8.291 2.989 -8.344 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.423 2.137 -7.624 1.00 0.00 C ATOM 0 H PHE A 124 -4.590 4.041 -10.406 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.833 1.849 -12.106 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.727 4.205 -11.800 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -7.141 2.633 -12.454 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.241 1.279 -10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.658 3.909 -10.272 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.676 0.854 -7.663 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.151 3.431 -7.863 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.615 1.960 -6.576 1.00 0.00 H new