USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 524 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 101 SER OG : rot 180:sc= 0.0651 USER MOD Set 1.2: A 135 GLN : amide:sc= -8.81! C(o=-8.7!,f=-9.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= -11.1! (180deg=-11.1!) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.81 F(o=-10!,f=-1.8) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.12) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.2!) USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= -0.0194 (180deg=-0.283) USER MOD Single : A 117 THR OG1 : rot 178:sc= -0.725! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.72) USER MOD Single : A 138 TYR OH : rot 151:sc= -2.67! USER MOD Single : A 143 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.59) USER MOD Single : A 144 MET CE :methyl -174:sc= -0.226 (180deg=-0.244) USER MOD Single : A 145 MET CE :methyl 173:sc= -1.04 (180deg=-1.34) USER MOD Single : A 146 THR OG1 : rot 63:sc= 0.184 USER MOD Single : A 148 LYS NZ :NH3+ 162:sc= -0.0516 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 10.781 15.160 -5.862 1.00 0.00 N ATOM 2 CA ASP A 78 10.120 13.909 -6.328 1.00 0.00 C ATOM 3 C ASP A 78 10.332 12.795 -5.300 1.00 0.00 C ATOM 4 O ASP A 78 9.537 12.636 -4.373 1.00 0.00 O ATOM 5 CB ASP A 78 10.710 13.510 -7.682 1.00 0.00 C ATOM 6 CG ASP A 78 10.226 14.473 -8.765 1.00 0.00 C ATOM 7 OD1 ASP A 78 9.279 15.202 -8.506 1.00 0.00 O ATOM 8 OD2 ASP A 78 10.808 14.472 -9.837 1.00 0.00 O ATOM 0 HA ASP A 78 9.048 14.074 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.799 13.523 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.414 12.491 -7.931 1.00 0.00 H new ATOM 15 N THR A 79 11.407 12.024 -5.465 1.00 0.00 N ATOM 16 CA THR A 79 11.703 10.931 -4.536 1.00 0.00 C ATOM 17 C THR A 79 12.069 11.476 -3.159 1.00 0.00 C ATOM 18 O THR A 79 12.308 10.716 -2.223 1.00 0.00 O ATOM 19 CB THR A 79 12.860 10.074 -5.071 1.00 0.00 C ATOM 20 OG1 THR A 79 12.533 9.590 -6.366 1.00 0.00 O ATOM 21 CG2 THR A 79 13.114 8.882 -4.134 1.00 0.00 C ATOM 0 H THR A 79 12.081 12.133 -6.223 1.00 0.00 H new ATOM 0 HA THR A 79 10.809 10.314 -4.446 1.00 0.00 H new ATOM 0 HB THR A 79 13.759 10.688 -5.122 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.272 9.045 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.936 8.282 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.371 9.249 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.215 8.269 -4.073 1.00 0.00 H new ATOM 29 N ASP A 80 12.113 12.807 -3.040 1.00 0.00 N ATOM 30 CA ASP A 80 12.447 13.455 -1.766 1.00 0.00 C ATOM 31 C ASP A 80 11.293 14.325 -1.281 1.00 0.00 C ATOM 32 O ASP A 80 11.316 14.831 -0.159 1.00 0.00 O ATOM 33 CB ASP A 80 13.707 14.305 -1.938 1.00 0.00 C ATOM 34 CG ASP A 80 13.535 15.286 -3.096 1.00 0.00 C ATOM 35 OD1 ASP A 80 12.539 15.182 -3.792 1.00 0.00 O ATOM 36 OD2 ASP A 80 14.403 16.129 -3.267 1.00 0.00 O ATOM 0 H ASP A 80 11.923 13.454 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 80 12.628 12.682 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.913 14.852 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.566 13.660 -2.124 1.00 0.00 H new ATOM 41 N SER A 81 10.280 14.494 -2.134 1.00 0.00 N ATOM 42 CA SER A 81 9.112 15.306 -1.786 1.00 0.00 C ATOM 43 C SER A 81 7.974 14.432 -1.271 1.00 0.00 C ATOM 44 O SER A 81 7.409 13.627 -2.012 1.00 0.00 O ATOM 45 CB SER A 81 8.636 16.078 -3.018 1.00 0.00 C ATOM 46 OG SER A 81 7.387 16.695 -2.735 1.00 0.00 O ATOM 0 H SER A 81 10.245 14.082 -3.066 1.00 0.00 H new ATOM 0 HA SER A 81 9.402 16.002 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.372 16.832 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.536 15.403 -3.868 1.00 0.00 H new ATOM 0 HG SER A 81 7.081 17.191 -3.523 1.00 0.00 H new ATOM 52 N GLU A 82 7.638 14.612 0.004 1.00 0.00 N ATOM 53 CA GLU A 82 6.560 13.852 0.627 1.00 0.00 C ATOM 54 C GLU A 82 5.338 13.810 -0.294 1.00 0.00 C ATOM 55 O GLU A 82 4.421 13.008 -0.097 1.00 0.00 O ATOM 56 CB GLU A 82 6.188 14.520 1.960 1.00 0.00 C ATOM 57 CG GLU A 82 5.137 13.682 2.695 1.00 0.00 C ATOM 58 CD GLU A 82 4.855 14.277 4.072 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.645 15.090 4.520 1.00 0.00 O ATOM 60 OE2 GLU A 82 3.847 13.909 4.659 1.00 0.00 O ATOM 0 H GLU A 82 8.097 15.278 0.625 1.00 0.00 H new ATOM 0 HA GLU A 82 6.892 12.829 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.077 14.629 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.802 15.523 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.217 13.646 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.488 12.656 2.800 1.00 0.00 H new ATOM 67 N GLU A 83 5.331 14.688 -1.293 1.00 0.00 N ATOM 68 CA GLU A 83 4.217 14.763 -2.235 1.00 0.00 C ATOM 69 C GLU A 83 4.057 13.461 -3.027 1.00 0.00 C ATOM 70 O GLU A 83 2.967 12.893 -3.063 1.00 0.00 O ATOM 71 CB GLU A 83 4.429 15.939 -3.194 1.00 0.00 C ATOM 72 CG GLU A 83 3.209 16.085 -4.104 1.00 0.00 C ATOM 73 CD GLU A 83 3.381 17.278 -5.037 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.265 18.082 -4.791 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.619 17.373 -5.988 1.00 0.00 O ATOM 0 H GLU A 83 6.081 15.356 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 83 3.302 14.916 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.586 16.858 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.325 15.776 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.072 15.175 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.311 16.214 -3.500 1.00 0.00 H new ATOM 82 N GLU A 84 5.130 12.970 -3.650 1.00 0.00 N ATOM 83 CA GLU A 84 5.028 11.722 -4.407 1.00 0.00 C ATOM 84 C GLU A 84 4.308 10.679 -3.564 1.00 0.00 C ATOM 85 O GLU A 84 3.352 10.058 -4.014 1.00 0.00 O ATOM 86 CB GLU A 84 6.420 11.202 -4.778 1.00 0.00 C ATOM 87 CG GLU A 84 7.012 12.041 -5.910 1.00 0.00 C ATOM 88 CD GLU A 84 6.248 11.796 -7.210 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.610 10.760 -7.315 1.00 0.00 O ATOM 90 OE2 GLU A 84 6.319 12.643 -8.085 1.00 0.00 O ATOM 0 H GLU A 84 6.054 13.402 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 84 4.469 11.912 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.074 11.240 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.357 10.158 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.968 13.098 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.064 11.789 -6.046 1.00 0.00 H new ATOM 97 N ILE A 85 4.754 10.516 -2.327 1.00 0.00 N ATOM 98 CA ILE A 85 4.125 9.560 -1.422 1.00 0.00 C ATOM 99 C ILE A 85 2.626 9.838 -1.357 1.00 0.00 C ATOM 100 O ILE A 85 1.808 8.933 -1.506 1.00 0.00 O ATOM 101 CB ILE A 85 4.729 9.703 -0.016 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.244 9.474 -0.068 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.104 8.679 0.934 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.845 9.729 1.316 1.00 0.00 C ATOM 0 H ILE A 85 5.541 11.027 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 85 4.297 8.548 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 85 4.523 10.710 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.458 8.454 -0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.698 10.139 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.540 8.790 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.028 8.844 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.298 7.673 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.922 9.566 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.643 10.757 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.399 9.045 2.038 1.00 0.00 H new ATOM 116 N ARG A 86 2.276 11.098 -1.146 1.00 0.00 N ATOM 117 CA ARG A 86 0.874 11.491 -1.064 1.00 0.00 C ATOM 118 C ARG A 86 0.139 11.157 -2.370 1.00 0.00 C ATOM 119 O ARG A 86 -1.006 10.700 -2.359 1.00 0.00 O ATOM 120 CB ARG A 86 0.788 12.999 -0.760 1.00 0.00 C ATOM 121 CG ARG A 86 1.225 13.249 0.690 1.00 0.00 C ATOM 122 CD ARG A 86 1.238 14.751 0.996 1.00 0.00 C ATOM 123 NE ARG A 86 1.615 14.964 2.391 1.00 0.00 N ATOM 124 CZ ARG A 86 1.810 16.187 2.881 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.599 17.238 2.132 1.00 0.00 N ATOM 126 NH2 ARG A 86 2.203 16.337 4.119 1.00 0.00 N ATOM 0 H ARG A 86 2.939 11.864 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 86 0.391 10.934 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.426 13.557 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.231 13.355 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.547 12.739 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.218 12.830 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.941 15.260 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.254 15.180 0.805 1.00 0.00 H new ATOM 0 HE ARG A 86 1.732 14.157 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.284 17.123 1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.749 18.173 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.360 15.518 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.353 17.273 4.497 1.00 0.00 H new ATOM 140 N GLU A 87 0.815 11.360 -3.498 1.00 0.00 N ATOM 141 CA GLU A 87 0.219 11.066 -4.801 1.00 0.00 C ATOM 142 C GLU A 87 0.232 9.560 -5.096 1.00 0.00 C ATOM 143 O GLU A 87 -0.816 8.926 -5.209 1.00 0.00 O ATOM 144 CB GLU A 87 0.980 11.820 -5.898 1.00 0.00 C ATOM 145 CG GLU A 87 0.786 13.328 -5.706 1.00 0.00 C ATOM 146 CD GLU A 87 1.544 14.095 -6.786 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.111 13.453 -7.653 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.547 15.315 -6.729 1.00 0.00 O ATOM 0 H GLU A 87 1.767 11.723 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.820 11.395 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.040 11.570 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.618 11.518 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.275 13.575 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.142 13.626 -4.720 1.00 0.00 H new ATOM 155 N ALA A 88 1.432 9.006 -5.228 1.00 0.00 N ATOM 156 CA ALA A 88 1.610 7.585 -5.528 1.00 0.00 C ATOM 157 C ALA A 88 0.568 6.741 -4.793 1.00 0.00 C ATOM 158 O ALA A 88 -0.157 5.960 -5.414 1.00 0.00 O ATOM 159 CB ALA A 88 3.019 7.150 -5.117 1.00 0.00 C ATOM 0 H ALA A 88 2.306 9.523 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 88 1.478 7.433 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.153 6.091 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.756 7.733 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.154 7.315 -4.048 1.00 0.00 H new ATOM 165 N PHE A 89 0.488 6.905 -3.472 1.00 0.00 N ATOM 166 CA PHE A 89 -0.479 6.155 -2.681 1.00 0.00 C ATOM 167 C PHE A 89 -1.917 6.539 -3.054 1.00 0.00 C ATOM 168 O PHE A 89 -2.779 5.672 -3.195 1.00 0.00 O ATOM 169 CB PHE A 89 -0.226 6.391 -1.188 1.00 0.00 C ATOM 170 CG PHE A 89 0.860 5.452 -0.702 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.630 4.069 -0.689 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.093 5.953 -0.271 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.626 3.196 -0.247 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.088 5.075 0.173 1.00 0.00 C ATOM 175 CZ PHE A 89 2.855 3.703 0.183 1.00 0.00 C ATOM 0 H PHE A 89 1.075 7.543 -2.935 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.354 5.094 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.071 7.426 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.143 6.226 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.320 3.678 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.277 7.017 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.447 2.131 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.038 5.463 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.626 3.028 0.524 1.00 0.00 H new ATOM 185 N ARG A 90 -2.181 7.833 -3.221 1.00 0.00 N ATOM 186 CA ARG A 90 -3.527 8.262 -3.590 1.00 0.00 C ATOM 187 C ARG A 90 -3.959 7.558 -4.876 1.00 0.00 C ATOM 188 O ARG A 90 -5.083 7.064 -4.980 1.00 0.00 O ATOM 189 CB ARG A 90 -3.546 9.785 -3.785 1.00 0.00 C ATOM 190 CG ARG A 90 -3.653 10.507 -2.427 1.00 0.00 C ATOM 191 CD ARG A 90 -5.119 10.591 -1.994 1.00 0.00 C ATOM 192 NE ARG A 90 -5.252 11.428 -0.806 1.00 0.00 N ATOM 193 CZ ARG A 90 -6.229 11.230 0.079 1.00 0.00 C ATOM 194 NH1 ARG A 90 -7.097 10.269 -0.109 1.00 0.00 N ATOM 195 NH2 ARG A 90 -6.333 12.003 1.125 1.00 0.00 N ATOM 0 H ARG A 90 -1.501 8.585 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.224 7.998 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.639 10.102 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.388 10.065 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.073 9.973 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.230 11.509 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.721 11.001 -2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.501 9.591 -1.787 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.582 12.181 -0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.026 9.672 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.845 10.117 0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.666 12.761 1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.082 11.849 1.800 1.00 0.00 H new ATOM 209 N VAL A 91 -3.054 7.504 -5.846 1.00 0.00 N ATOM 210 CA VAL A 91 -3.338 6.845 -7.115 1.00 0.00 C ATOM 211 C VAL A 91 -3.593 5.354 -6.887 1.00 0.00 C ATOM 212 O VAL A 91 -4.511 4.772 -7.466 1.00 0.00 O ATOM 213 CB VAL A 91 -2.152 7.030 -8.069 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.405 6.269 -9.372 1.00 0.00 C ATOM 215 CG2 VAL A 91 -1.977 8.519 -8.378 1.00 0.00 C ATOM 0 H VAL A 91 -2.120 7.907 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.229 7.292 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.249 6.642 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.558 6.406 -10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.529 5.208 -9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.309 6.650 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.134 8.653 -9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.884 8.903 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.788 9.063 -7.452 1.00 0.00 H new ATOM 225 N PHE A 92 -2.768 4.747 -6.040 1.00 0.00 N ATOM 226 CA PHE A 92 -2.895 3.320 -5.740 1.00 0.00 C ATOM 227 C PHE A 92 -4.318 2.991 -5.305 1.00 0.00 C ATOM 228 O PHE A 92 -4.943 2.093 -5.868 1.00 0.00 O ATOM 229 CB PHE A 92 -1.896 2.940 -4.628 1.00 0.00 C ATOM 230 CG PHE A 92 -0.568 2.551 -5.239 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.065 3.252 -6.346 1.00 0.00 C ATOM 232 CD2 PHE A 92 0.152 1.477 -4.707 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.155 2.879 -6.914 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.371 1.103 -5.278 1.00 0.00 C ATOM 235 CZ PHE A 92 1.873 1.804 -6.381 1.00 0.00 C ATOM 0 H PHE A 92 -2.007 5.216 -5.550 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.672 2.745 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.760 3.780 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.292 2.112 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.622 4.080 -6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.234 0.937 -3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.544 3.420 -7.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.927 0.272 -4.868 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.816 1.514 -6.821 1.00 0.00 H new ATOM 245 N ASP A 93 -4.831 3.715 -4.316 1.00 0.00 N ATOM 246 CA ASP A 93 -6.189 3.469 -3.849 1.00 0.00 C ATOM 247 C ASP A 93 -7.143 3.467 -5.042 1.00 0.00 C ATOM 248 O ASP A 93 -7.693 4.507 -5.408 1.00 0.00 O ATOM 249 CB ASP A 93 -6.602 4.558 -2.852 1.00 0.00 C ATOM 250 CG ASP A 93 -7.847 4.133 -2.082 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.073 2.939 -1.966 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.554 5.010 -1.620 1.00 0.00 O ATOM 0 H ASP A 93 -4.337 4.464 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.231 2.500 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.785 4.751 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.796 5.490 -3.382 1.00 0.00 H new ATOM 257 N LYS A 94 -7.317 2.297 -5.657 1.00 0.00 N ATOM 258 CA LYS A 94 -8.191 2.170 -6.823 1.00 0.00 C ATOM 259 C LYS A 94 -9.587 2.678 -6.496 1.00 0.00 C ATOM 260 O LYS A 94 -10.086 3.614 -7.125 1.00 0.00 O ATOM 261 CB LYS A 94 -8.263 0.694 -7.238 1.00 0.00 C ATOM 262 CG LYS A 94 -6.990 0.296 -8.019 1.00 0.00 C ATOM 263 CD LYS A 94 -6.695 -1.203 -7.820 1.00 0.00 C ATOM 264 CE LYS A 94 -5.858 -1.732 -8.978 1.00 0.00 C ATOM 265 NZ LYS A 94 -5.311 -3.067 -8.612 1.00 0.00 N ATOM 0 H LYS A 94 -6.867 1.428 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.786 2.766 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.368 0.065 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.145 0.525 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.122 0.511 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.143 0.890 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.166 -1.355 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.630 -1.760 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.468 -1.809 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.045 -1.041 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.809 -3.472 -9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.651 -2.965 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.091 -3.698 -8.337 1.00 0.00 H new ATOM 279 N ASP A 95 -10.200 2.055 -5.501 1.00 0.00 N ATOM 280 CA ASP A 95 -11.537 2.431 -5.065 1.00 0.00 C ATOM 281 C ASP A 95 -11.499 3.765 -4.335 1.00 0.00 C ATOM 282 O ASP A 95 -12.437 4.106 -3.619 1.00 0.00 O ATOM 283 CB ASP A 95 -12.083 1.353 -4.127 1.00 0.00 C ATOM 284 CG ASP A 95 -12.457 0.105 -4.922 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.516 0.196 -6.137 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.674 -0.924 -4.302 1.00 0.00 O ATOM 0 H ASP A 95 -9.790 1.282 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.182 2.526 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.336 1.103 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.957 1.731 -3.596 1.00 0.00 H new ATOM 291 N GLY A 96 -10.407 4.514 -4.542 1.00 0.00 N ATOM 292 CA GLY A 96 -10.223 5.829 -3.918 1.00 0.00 C ATOM 293 C GLY A 96 -11.009 5.961 -2.613 1.00 0.00 C ATOM 294 O GLY A 96 -11.661 6.979 -2.372 1.00 0.00 O ATOM 0 H GLY A 96 -9.633 4.227 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.163 5.991 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.540 6.607 -4.612 1.00 0.00 H new ATOM 298 N ASN A 97 -10.960 4.921 -1.776 1.00 0.00 N ATOM 299 CA ASN A 97 -11.692 4.941 -0.512 1.00 0.00 C ATOM 300 C ASN A 97 -10.997 5.836 0.516 1.00 0.00 C ATOM 301 O ASN A 97 -11.516 6.043 1.611 1.00 0.00 O ATOM 302 CB ASN A 97 -11.864 3.516 0.043 1.00 0.00 C ATOM 303 CG ASN A 97 -10.546 2.984 0.597 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.421 3.359 0.058 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -10.546 2.205 1.549 1.00 0.00 N flip ATOM 0 H ASN A 97 -10.429 4.068 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.680 5.357 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.619 3.516 0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.225 2.855 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.428 1.913 1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.664 1.851 1.918 1.00 0.00 H new ATOM 312 N GLY A 98 -9.831 6.379 0.152 1.00 0.00 N ATOM 313 CA GLY A 98 -9.086 7.268 1.053 1.00 0.00 C ATOM 314 C GLY A 98 -8.049 6.504 1.866 1.00 0.00 C ATOM 315 O GLY A 98 -7.299 7.089 2.644 1.00 0.00 O ATOM 0 H GLY A 98 -9.385 6.221 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.591 8.045 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.781 7.768 1.727 1.00 0.00 H new ATOM 319 N TYR A 99 -8.019 5.192 1.678 1.00 0.00 N ATOM 320 CA TYR A 99 -7.081 4.330 2.394 1.00 0.00 C ATOM 321 C TYR A 99 -6.544 3.262 1.452 1.00 0.00 C ATOM 322 O TYR A 99 -6.718 3.371 0.239 1.00 0.00 O ATOM 323 CB TYR A 99 -7.762 3.682 3.595 1.00 0.00 C ATOM 324 CG TYR A 99 -8.384 4.759 4.456 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.590 5.503 5.341 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.758 5.016 4.366 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.171 6.500 6.134 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.338 6.014 5.159 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.544 6.756 6.043 1.00 0.00 C ATOM 330 OH TYR A 99 -10.117 7.740 6.825 1.00 0.00 O ATOM 0 H TYR A 99 -8.635 4.697 1.033 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.251 4.936 2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.527 2.981 3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.037 3.110 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.530 5.307 5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.370 4.444 3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.559 7.072 6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.397 6.212 5.089 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.078 7.789 6.638 1.00 0.00 H new ATOM 340 N ILE A 100 -5.856 2.251 1.998 1.00 0.00 N ATOM 341 CA ILE A 100 -5.278 1.192 1.157 1.00 0.00 C ATOM 342 C ILE A 100 -5.633 -0.201 1.652 1.00 0.00 C ATOM 343 O ILE A 100 -5.395 -0.524 2.820 1.00 0.00 O ATOM 344 CB ILE A 100 -3.755 1.347 1.147 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.367 2.764 0.669 1.00 0.00 C ATOM 346 CG2 ILE A 100 -3.137 0.308 0.209 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.554 2.900 -0.850 1.00 0.00 C ATOM 0 H ILE A 100 -5.687 2.143 2.998 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.692 1.299 0.155 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.380 1.196 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.979 3.506 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.329 2.969 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.053 0.421 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.396 -0.693 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.521 0.455 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.274 3.906 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.923 2.173 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.598 2.718 -1.106 1.00 0.00 H new ATOM 359 N SER A 101 -6.181 -1.024 0.736 1.00 0.00 N ATOM 360 CA SER A 101 -6.555 -2.404 1.056 1.00 0.00 C ATOM 361 C SER A 101 -5.538 -3.387 0.476 1.00 0.00 C ATOM 362 O SER A 101 -4.705 -3.025 -0.354 1.00 0.00 O ATOM 363 CB SER A 101 -7.942 -2.737 0.494 1.00 0.00 C ATOM 364 OG SER A 101 -8.335 -4.014 0.982 1.00 0.00 O ATOM 0 H SER A 101 -6.372 -0.752 -0.228 1.00 0.00 H new ATOM 0 HA SER A 101 -6.573 -2.496 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.664 -1.978 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.918 -2.739 -0.596 1.00 0.00 H new ATOM 0 HG SER A 101 -9.222 -4.239 0.632 1.00 0.00 H new ATOM 370 N ALA A 102 -5.610 -4.630 0.936 1.00 0.00 N ATOM 371 CA ALA A 102 -4.699 -5.676 0.480 1.00 0.00 C ATOM 372 C ALA A 102 -5.019 -6.135 -0.937 1.00 0.00 C ATOM 373 O ALA A 102 -4.116 -6.428 -1.713 1.00 0.00 O ATOM 374 CB ALA A 102 -4.764 -6.872 1.460 1.00 0.00 C ATOM 0 H ALA A 102 -6.292 -4.941 1.628 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.690 -5.264 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.085 -7.656 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.471 -6.542 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.781 -7.262 1.491 1.00 0.00 H new ATOM 380 N ALA A 103 -6.293 -6.211 -1.265 1.00 0.00 N ATOM 381 CA ALA A 103 -6.700 -6.667 -2.583 1.00 0.00 C ATOM 382 C ALA A 103 -6.149 -5.776 -3.695 1.00 0.00 C ATOM 383 O ALA A 103 -5.799 -6.260 -4.782 1.00 0.00 O ATOM 384 CB ALA A 103 -8.229 -6.694 -2.652 1.00 0.00 C ATOM 0 H ALA A 103 -7.062 -5.965 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.293 -7.667 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.543 -7.035 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.616 -7.374 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.619 -5.692 -2.474 1.00 0.00 H new ATOM 390 N GLU A 104 -6.080 -4.476 -3.432 1.00 0.00 N ATOM 391 CA GLU A 104 -5.591 -3.531 -4.423 1.00 0.00 C ATOM 392 C GLU A 104 -4.120 -3.767 -4.732 1.00 0.00 C ATOM 393 O GLU A 104 -3.691 -3.548 -5.861 1.00 0.00 O ATOM 394 CB GLU A 104 -5.766 -2.103 -3.900 1.00 0.00 C ATOM 395 CG GLU A 104 -7.237 -1.858 -3.572 1.00 0.00 C ATOM 396 CD GLU A 104 -7.423 -0.472 -2.959 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.437 0.235 -2.836 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.548 -0.140 -2.620 1.00 0.00 O ATOM 0 H GLU A 104 -6.356 -4.056 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.167 -3.674 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.154 -1.952 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.425 -1.386 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.837 -1.945 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.593 -2.620 -2.879 1.00 0.00 H new ATOM 405 N LEU A 105 -3.352 -4.203 -3.730 1.00 0.00 N ATOM 406 CA LEU A 105 -1.923 -4.442 -3.928 1.00 0.00 C ATOM 407 C LEU A 105 -1.669 -5.554 -4.938 1.00 0.00 C ATOM 408 O LEU A 105 -0.911 -5.377 -5.887 1.00 0.00 O ATOM 409 CB LEU A 105 -1.277 -4.817 -2.596 1.00 0.00 C ATOM 410 CG LEU A 105 -1.630 -3.768 -1.531 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.887 -4.094 -0.232 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.223 -2.369 -2.018 1.00 0.00 C ATOM 0 H LEU A 105 -3.691 -4.395 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.485 -3.523 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.622 -5.801 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.195 -4.881 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.705 -3.784 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.136 -3.351 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.183 -5.083 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.188 -4.081 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.477 -1.631 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.149 -2.346 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.754 -2.136 -2.941 1.00 0.00 H new ATOM 424 N ARG A 106 -2.297 -6.697 -4.734 1.00 0.00 N ATOM 425 CA ARG A 106 -2.108 -7.821 -5.643 1.00 0.00 C ATOM 426 C ARG A 106 -2.551 -7.460 -7.053 1.00 0.00 C ATOM 427 O ARG A 106 -1.823 -7.705 -8.019 1.00 0.00 O ATOM 428 CB ARG A 106 -2.890 -9.053 -5.158 1.00 0.00 C ATOM 429 CG ARG A 106 -4.298 -8.656 -4.696 1.00 0.00 C ATOM 430 CD ARG A 106 -4.984 -9.864 -4.068 1.00 0.00 C ATOM 431 NE ARG A 106 -4.361 -10.185 -2.794 1.00 0.00 N ATOM 432 CZ ARG A 106 -4.720 -11.257 -2.082 1.00 0.00 C ATOM 433 NH1 ARG A 106 -5.616 -12.092 -2.544 1.00 0.00 N ATOM 434 NH2 ARG A 106 -4.161 -11.476 -0.924 1.00 0.00 N ATOM 0 H ARG A 106 -2.935 -6.875 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.044 -8.058 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.959 -9.785 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.354 -9.530 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.240 -7.841 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.881 -8.292 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.044 -9.655 -3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.918 -10.720 -4.740 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.628 -9.574 -2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.046 -11.927 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.884 -12.908 -1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.455 -10.831 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.430 -12.292 -0.374 1.00 0.00 H new ATOM 448 N HIS A 107 -3.747 -6.885 -7.182 1.00 0.00 N ATOM 449 CA HIS A 107 -4.258 -6.516 -8.494 1.00 0.00 C ATOM 450 C HIS A 107 -3.410 -5.425 -9.152 1.00 0.00 C ATOM 451 O HIS A 107 -2.963 -5.581 -10.291 1.00 0.00 O ATOM 452 CB HIS A 107 -5.692 -5.994 -8.350 1.00 0.00 C ATOM 453 CG HIS A 107 -6.622 -7.112 -7.941 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.698 -8.312 -8.634 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.546 -7.208 -6.928 1.00 0.00 C ATOM 456 CE1 HIS A 107 -7.638 -9.068 -8.034 1.00 0.00 C ATOM 457 NE2 HIS A 107 -8.185 -8.441 -6.988 1.00 0.00 N ATOM 0 H HIS A 107 -4.370 -6.669 -6.403 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.224 -7.406 -9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.723 -5.197 -7.607 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.025 -5.563 -9.294 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.746 -6.440 -6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.916 -10.060 -8.359 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.914 -8.792 -6.367 1.00 0.00 H new ATOM 466 N VAL A 108 -3.199 -4.325 -8.441 1.00 0.00 N ATOM 467 CA VAL A 108 -2.413 -3.223 -8.994 1.00 0.00 C ATOM 468 C VAL A 108 -0.990 -3.680 -9.303 1.00 0.00 C ATOM 469 O VAL A 108 -0.484 -3.440 -10.394 1.00 0.00 O ATOM 470 CB VAL A 108 -2.406 -2.025 -8.032 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.425 -2.268 -6.893 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.996 -0.757 -8.792 1.00 0.00 C ATOM 0 H VAL A 108 -3.553 -4.170 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.878 -2.905 -9.927 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.407 -1.901 -7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.430 -1.411 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.719 -3.163 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.423 -2.404 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.992 0.092 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.999 -0.890 -9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.706 -0.570 -9.598 1.00 0.00 H new ATOM 482 N MET A 109 -0.350 -4.337 -8.345 1.00 0.00 N ATOM 483 CA MET A 109 1.012 -4.805 -8.544 1.00 0.00 C ATOM 484 C MET A 109 1.088 -5.686 -9.785 1.00 0.00 C ATOM 485 O MET A 109 1.972 -5.520 -10.626 1.00 0.00 O ATOM 486 CB MET A 109 1.469 -5.598 -7.318 1.00 0.00 C ATOM 487 CG MET A 109 1.613 -4.661 -6.097 1.00 0.00 C ATOM 488 SD MET A 109 3.313 -4.043 -6.015 1.00 0.00 S ATOM 489 CE MET A 109 2.955 -2.503 -5.135 1.00 0.00 C ATOM 0 H MET A 109 -0.748 -4.556 -7.432 1.00 0.00 H new ATOM 0 HA MET A 109 1.666 -3.944 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.749 -6.386 -7.097 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.422 -6.085 -7.526 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.915 -3.828 -6.179 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.364 -5.197 -5.181 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.881 -1.952 -4.975 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.269 -1.897 -5.727 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.498 -2.732 -4.172 1.00 0.00 H new ATOM 499 N THR A 110 0.146 -6.614 -9.902 1.00 0.00 N ATOM 500 CA THR A 110 0.109 -7.511 -11.049 1.00 0.00 C ATOM 501 C THR A 110 -0.182 -6.722 -12.317 1.00 0.00 C ATOM 502 O THR A 110 0.460 -6.920 -13.347 1.00 0.00 O ATOM 503 CB THR A 110 -0.957 -8.592 -10.841 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.613 -9.382 -9.710 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.037 -9.484 -12.084 1.00 0.00 C ATOM 0 H THR A 110 -0.598 -6.764 -9.221 1.00 0.00 H new ATOM 0 HA THR A 110 1.081 -7.995 -11.150 1.00 0.00 H new ATOM 0 HB THR A 110 -1.925 -8.119 -10.675 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.975 -8.968 -8.899 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.796 -10.252 -11.933 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.302 -8.878 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.070 -9.958 -12.254 1.00 0.00 H new ATOM 513 N ASN A 111 -1.147 -5.820 -12.223 1.00 0.00 N ATOM 514 CA ASN A 111 -1.518 -4.990 -13.360 1.00 0.00 C ATOM 515 C ASN A 111 -0.326 -4.140 -13.791 1.00 0.00 C ATOM 516 O ASN A 111 -0.081 -3.942 -14.981 1.00 0.00 O ATOM 517 CB ASN A 111 -2.688 -4.084 -12.979 1.00 0.00 C ATOM 518 CG ASN A 111 -4.006 -4.853 -13.011 1.00 0.00 C ATOM 519 OD1 ASN A 111 -4.093 -5.911 -13.635 1.00 0.00 O ATOM 520 ND2 ASN A 111 -5.043 -4.379 -12.377 1.00 0.00 N ATOM 0 H ASN A 111 -1.686 -5.644 -11.375 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.817 -5.632 -14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.526 -3.674 -11.982 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.738 -3.240 -13.667 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.928 -4.885 -12.397 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.968 -3.502 -11.861 1.00 0.00 H new ATOM 527 N LEU A 112 0.406 -3.649 -12.808 1.00 0.00 N ATOM 528 CA LEU A 112 1.578 -2.824 -13.063 1.00 0.00 C ATOM 529 C LEU A 112 2.624 -3.614 -13.832 1.00 0.00 C ATOM 530 O LEU A 112 3.292 -3.079 -14.714 1.00 0.00 O ATOM 531 CB LEU A 112 2.168 -2.340 -11.729 1.00 0.00 C ATOM 532 CG LEU A 112 1.391 -1.109 -11.219 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.521 -1.012 -9.696 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.973 0.165 -11.848 1.00 0.00 C ATOM 0 H LEU A 112 0.210 -3.807 -11.820 1.00 0.00 H new ATOM 0 HA LEU A 112 1.280 -1.963 -13.662 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.121 -3.140 -10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.220 -2.087 -11.859 1.00 0.00 H new ATOM 0 HG LEU A 112 0.341 -1.212 -11.495 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.971 -0.141 -9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.112 -1.913 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.572 -0.913 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.423 1.034 -11.486 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.023 0.260 -11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.887 0.107 -12.933 1.00 0.00 H new ATOM 546 N GLY A 113 2.764 -4.891 -13.485 1.00 0.00 N ATOM 547 CA GLY A 113 3.740 -5.757 -14.143 1.00 0.00 C ATOM 548 C GLY A 113 4.469 -6.626 -13.123 1.00 0.00 C ATOM 549 O GLY A 113 5.245 -7.503 -13.493 1.00 0.00 O ATOM 0 H GLY A 113 2.217 -5.348 -12.755 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.237 -6.391 -14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.460 -5.150 -14.691 1.00 0.00 H new ATOM 553 N GLU A 114 4.216 -6.378 -11.837 1.00 0.00 N ATOM 554 CA GLU A 114 4.860 -7.146 -10.764 1.00 0.00 C ATOM 555 C GLU A 114 3.851 -8.074 -10.090 1.00 0.00 C ATOM 556 O GLU A 114 3.051 -7.639 -9.262 1.00 0.00 O ATOM 557 CB GLU A 114 5.456 -6.183 -9.737 1.00 0.00 C ATOM 558 CG GLU A 114 6.614 -5.408 -10.375 1.00 0.00 C ATOM 559 CD GLU A 114 6.076 -4.357 -11.343 1.00 0.00 C ATOM 560 OE1 GLU A 114 4.877 -4.131 -11.337 1.00 0.00 O ATOM 561 OE2 GLU A 114 6.870 -3.803 -12.088 1.00 0.00 O ATOM 0 H GLU A 114 3.574 -5.656 -11.512 1.00 0.00 H new ATOM 0 HA GLU A 114 5.655 -7.757 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.691 -5.491 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.810 -6.736 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.210 -4.927 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.274 -6.096 -10.904 1.00 0.00 H new ATOM 568 N LYS A 115 3.891 -9.354 -10.457 1.00 0.00 N ATOM 569 CA LYS A 115 2.971 -10.338 -9.891 1.00 0.00 C ATOM 570 C LYS A 115 3.457 -10.824 -8.521 1.00 0.00 C ATOM 571 O LYS A 115 4.181 -11.814 -8.423 1.00 0.00 O ATOM 572 CB LYS A 115 2.838 -11.535 -10.845 1.00 0.00 C ATOM 573 CG LYS A 115 1.595 -12.356 -10.485 1.00 0.00 C ATOM 574 CD LYS A 115 1.401 -13.476 -11.512 1.00 0.00 C ATOM 575 CE LYS A 115 0.094 -14.220 -11.217 1.00 0.00 C ATOM 576 NZ LYS A 115 0.208 -14.923 -9.910 1.00 0.00 N ATOM 0 H LYS A 115 4.547 -9.732 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 115 2.000 -9.861 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.767 -11.184 -11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.728 -12.161 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.704 -12.780 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.716 -11.712 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 115 1.376 -13.060 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.242 -14.168 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.739 -13.518 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.116 -14.937 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.557 -15.622 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 1.127 -15.407 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.134 -14.232 -9.136 1.00 0.00 H new ATOM 590 N LEU A 116 3.040 -10.119 -7.467 1.00 0.00 N ATOM 591 CA LEU A 116 3.416 -10.474 -6.095 1.00 0.00 C ATOM 592 C LEU A 116 2.631 -11.703 -5.638 1.00 0.00 C ATOM 593 O LEU A 116 1.916 -12.319 -6.425 1.00 0.00 O ATOM 594 CB LEU A 116 3.118 -9.285 -5.152 1.00 0.00 C ATOM 595 CG LEU A 116 4.349 -8.381 -5.018 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.827 -7.930 -6.406 1.00 0.00 C ATOM 597 CD2 LEU A 116 3.976 -7.155 -4.177 1.00 0.00 C ATOM 0 H LEU A 116 2.440 -9.297 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 116 4.481 -10.703 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.277 -8.709 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.825 -9.657 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 116 5.154 -8.933 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.702 -7.288 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.089 -8.804 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.030 -7.377 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.845 -6.505 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.170 -6.609 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.647 -7.478 -3.189 1.00 0.00 H new ATOM 609 N THR A 117 2.762 -12.046 -4.352 1.00 0.00 N ATOM 610 CA THR A 117 2.050 -13.193 -3.783 1.00 0.00 C ATOM 611 C THR A 117 0.939 -12.709 -2.849 1.00 0.00 C ATOM 612 O THR A 117 1.172 -11.876 -1.971 1.00 0.00 O ATOM 613 CB THR A 117 3.028 -14.092 -3.011 1.00 0.00 C ATOM 614 OG1 THR A 117 3.926 -13.287 -2.267 1.00 0.00 O ATOM 615 CG2 THR A 117 3.823 -14.958 -3.991 1.00 0.00 C ATOM 0 H THR A 117 3.353 -11.546 -3.688 1.00 0.00 H new ATOM 0 HA THR A 117 1.606 -13.769 -4.595 1.00 0.00 H new ATOM 0 HB THR A 117 2.463 -14.734 -2.335 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.531 -13.861 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.515 -15.593 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.137 -15.582 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.384 -14.317 -4.671 1.00 0.00 H new ATOM 623 N ASP A 118 -0.268 -13.224 -3.056 1.00 0.00 N ATOM 624 CA ASP A 118 -1.413 -12.823 -2.245 1.00 0.00 C ATOM 625 C ASP A 118 -1.145 -13.102 -0.767 1.00 0.00 C ATOM 626 O ASP A 118 -1.497 -12.301 0.100 1.00 0.00 O ATOM 627 CB ASP A 118 -2.666 -13.595 -2.691 1.00 0.00 C ATOM 628 CG ASP A 118 -3.279 -12.959 -3.940 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.905 -11.844 -4.265 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.115 -13.599 -4.554 1.00 0.00 O ATOM 0 H ASP A 118 -0.479 -13.917 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.575 -11.754 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.405 -14.633 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.399 -13.604 -1.885 1.00 0.00 H new ATOM 635 N GLU A 119 -0.530 -14.242 -0.489 1.00 0.00 N ATOM 636 CA GLU A 119 -0.229 -14.625 0.887 1.00 0.00 C ATOM 637 C GLU A 119 0.649 -13.563 1.560 1.00 0.00 C ATOM 638 O GLU A 119 0.442 -13.214 2.728 1.00 0.00 O ATOM 639 CB GLU A 119 0.489 -15.983 0.901 1.00 0.00 C ATOM 640 CG GLU A 119 -0.460 -17.063 0.373 1.00 0.00 C ATOM 641 CD GLU A 119 0.249 -18.417 0.300 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.419 -18.474 0.641 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.392 -19.380 -0.095 1.00 0.00 O ATOM 0 H GLU A 119 -0.230 -14.917 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.164 -14.705 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.387 -15.939 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.809 -16.228 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.332 -17.138 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.823 -16.783 -0.616 1.00 0.00 H new ATOM 650 N GLU A 120 1.603 -13.024 0.808 1.00 0.00 N ATOM 651 CA GLU A 120 2.471 -11.976 1.343 1.00 0.00 C ATOM 652 C GLU A 120 1.695 -10.667 1.463 1.00 0.00 C ATOM 653 O GLU A 120 1.794 -9.970 2.466 1.00 0.00 O ATOM 654 CB GLU A 120 3.690 -11.776 0.434 1.00 0.00 C ATOM 655 CG GLU A 120 4.713 -12.895 0.679 1.00 0.00 C ATOM 656 CD GLU A 120 4.085 -14.262 0.423 1.00 0.00 C ATOM 657 OE1 GLU A 120 3.268 -14.679 1.227 1.00 0.00 O ATOM 658 OE2 GLU A 120 4.438 -14.878 -0.570 1.00 0.00 O ATOM 0 H GLU A 120 1.795 -13.288 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 120 2.816 -12.281 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.380 -11.777 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.146 -10.805 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.575 -12.757 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.078 -12.843 1.705 1.00 0.00 H new ATOM 665 N VAL A 121 0.907 -10.360 0.439 1.00 0.00 N ATOM 666 CA VAL A 121 0.095 -9.145 0.447 1.00 0.00 C ATOM 667 C VAL A 121 -0.724 -9.085 1.738 1.00 0.00 C ATOM 668 O VAL A 121 -0.497 -8.246 2.601 1.00 0.00 O ATOM 669 CB VAL A 121 -0.847 -9.148 -0.764 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.948 -8.103 -0.591 1.00 0.00 C ATOM 671 CG2 VAL A 121 -0.062 -8.837 -2.042 1.00 0.00 C ATOM 0 H VAL A 121 0.812 -10.929 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 121 0.747 -8.273 0.393 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.299 -10.137 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.606 -8.120 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.525 -8.328 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.499 -7.114 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.740 -8.842 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.403 -7.855 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.710 -9.593 -2.188 1.00 0.00 H new ATOM 681 N ASP A 122 -1.671 -9.996 1.863 1.00 0.00 N ATOM 682 CA ASP A 122 -2.512 -10.050 3.045 1.00 0.00 C ATOM 683 C ASP A 122 -1.662 -9.948 4.312 1.00 0.00 C ATOM 684 O ASP A 122 -2.021 -9.233 5.248 1.00 0.00 O ATOM 685 CB ASP A 122 -3.287 -11.368 3.040 1.00 0.00 C ATOM 686 CG ASP A 122 -4.407 -11.343 4.077 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.285 -10.601 5.038 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.365 -12.073 3.895 1.00 0.00 O ATOM 0 H ASP A 122 -1.877 -10.708 1.162 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.208 -9.211 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.706 -11.545 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.609 -12.195 3.251 1.00 0.00 H new ATOM 693 N GLU A 123 -0.531 -10.652 4.335 1.00 0.00 N ATOM 694 CA GLU A 123 0.352 -10.610 5.503 1.00 0.00 C ATOM 695 C GLU A 123 1.008 -9.227 5.649 1.00 0.00 C ATOM 696 O GLU A 123 1.147 -8.718 6.760 1.00 0.00 O ATOM 697 CB GLU A 123 1.446 -11.672 5.374 1.00 0.00 C ATOM 698 CG GLU A 123 2.216 -11.798 6.695 1.00 0.00 C ATOM 699 CD GLU A 123 1.334 -12.453 7.752 1.00 0.00 C ATOM 700 OE1 GLU A 123 0.248 -12.887 7.406 1.00 0.00 O ATOM 701 OE2 GLU A 123 1.762 -12.516 8.895 1.00 0.00 O ATOM 0 H GLU A 123 -0.207 -11.249 3.574 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.254 -10.809 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.003 -12.632 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.130 -11.404 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.118 -12.391 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.535 -10.813 7.035 1.00 0.00 H new ATOM 708 N MET A 124 1.418 -8.632 4.528 1.00 0.00 N ATOM 709 CA MET A 124 2.075 -7.327 4.553 1.00 0.00 C ATOM 710 C MET A 124 1.268 -6.303 5.344 1.00 0.00 C ATOM 711 O MET A 124 1.669 -5.884 6.430 1.00 0.00 O ATOM 712 CB MET A 124 2.253 -6.818 3.109 1.00 0.00 C ATOM 713 CG MET A 124 3.477 -7.465 2.453 1.00 0.00 C ATOM 714 SD MET A 124 4.949 -6.513 2.893 1.00 0.00 S ATOM 715 CE MET A 124 6.156 -7.829 2.622 1.00 0.00 C ATOM 0 H MET A 124 1.307 -9.032 3.596 1.00 0.00 H new ATOM 0 HA MET A 124 3.042 -7.449 5.041 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.360 -7.044 2.526 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.366 -5.734 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.582 -8.497 2.787 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.355 -7.491 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.157 -7.455 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.932 -8.669 3.279 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.109 -8.158 1.584 1.00 0.00 H new ATOM 725 N ILE A 125 0.133 -5.906 4.795 1.00 0.00 N ATOM 726 CA ILE A 125 -0.711 -4.917 5.458 1.00 0.00 C ATOM 727 C ILE A 125 -1.006 -5.356 6.891 1.00 0.00 C ATOM 728 O ILE A 125 -0.985 -4.542 7.813 1.00 0.00 O ATOM 729 CB ILE A 125 -2.036 -4.749 4.684 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.801 -3.874 3.440 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.101 -4.092 5.588 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.106 -3.758 2.639 1.00 0.00 C ATOM 0 H ILE A 125 -0.226 -6.246 3.903 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.184 -3.963 5.478 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.392 -5.732 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.457 -2.884 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.018 -4.310 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.031 -3.979 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.275 -4.721 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.750 -3.112 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.938 -3.138 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.431 -4.751 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.876 -3.303 3.262 1.00 0.00 H new ATOM 744 N ARG A 126 -1.296 -6.632 7.067 1.00 0.00 N ATOM 745 CA ARG A 126 -1.619 -7.155 8.386 1.00 0.00 C ATOM 746 C ARG A 126 -0.563 -6.777 9.418 1.00 0.00 C ATOM 747 O ARG A 126 -0.899 -6.430 10.548 1.00 0.00 O ATOM 748 CB ARG A 126 -1.762 -8.681 8.297 1.00 0.00 C ATOM 749 CG ARG A 126 -3.124 -9.050 7.676 1.00 0.00 C ATOM 750 CD ARG A 126 -4.200 -9.091 8.766 1.00 0.00 C ATOM 751 NE ARG A 126 -5.467 -9.509 8.193 1.00 0.00 N ATOM 752 CZ ARG A 126 -5.726 -10.794 7.986 1.00 0.00 C ATOM 753 NH1 ARG A 126 -4.827 -11.691 8.296 1.00 0.00 N ATOM 754 NH2 ARG A 126 -6.868 -11.157 7.474 1.00 0.00 N ATOM 0 H ARG A 126 -1.315 -7.324 6.318 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.559 -6.713 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.954 -9.095 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.675 -9.121 9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.395 -8.321 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.058 -10.019 7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.903 -9.780 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.305 -8.107 9.223 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.165 -8.808 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.934 -11.401 8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.019 -12.681 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.565 -10.453 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.065 -12.145 7.316 1.00 0.00 H new ATOM 768 N GLU A 127 0.707 -6.849 9.041 1.00 0.00 N ATOM 769 CA GLU A 127 1.775 -6.499 9.971 1.00 0.00 C ATOM 770 C GLU A 127 1.915 -4.979 10.091 1.00 0.00 C ATOM 771 O GLU A 127 2.028 -4.445 11.195 1.00 0.00 O ATOM 772 CB GLU A 127 3.096 -7.128 9.509 1.00 0.00 C ATOM 773 CG GLU A 127 3.010 -8.655 9.637 1.00 0.00 C ATOM 774 CD GLU A 127 4.258 -9.304 9.044 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.126 -8.572 8.594 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.328 -10.523 9.043 1.00 0.00 O ATOM 0 H GLU A 127 1.020 -7.141 8.115 1.00 0.00 H new ATOM 0 HA GLU A 127 1.523 -6.892 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.301 -6.850 8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.922 -6.748 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.909 -8.934 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.121 -9.021 9.123 1.00 0.00 H new ATOM 783 N ALA A 128 1.907 -4.288 8.953 1.00 0.00 N ATOM 784 CA ALA A 128 2.038 -2.829 8.952 1.00 0.00 C ATOM 785 C ALA A 128 0.858 -2.179 9.676 1.00 0.00 C ATOM 786 O ALA A 128 1.042 -1.368 10.585 1.00 0.00 O ATOM 787 CB ALA A 128 2.105 -2.320 7.492 1.00 0.00 C ATOM 0 H ALA A 128 1.812 -4.707 8.028 1.00 0.00 H new ATOM 0 HA ALA A 128 2.954 -2.558 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.202 -1.234 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.966 -2.763 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.194 -2.604 6.966 1.00 0.00 H new ATOM 793 N ASP A 129 -0.351 -2.542 9.260 1.00 0.00 N ATOM 794 CA ASP A 129 -1.562 -1.989 9.860 1.00 0.00 C ATOM 795 C ASP A 129 -1.413 -1.905 11.373 1.00 0.00 C ATOM 796 O ASP A 129 -1.079 -2.890 12.027 1.00 0.00 O ATOM 797 CB ASP A 129 -2.761 -2.868 9.507 1.00 0.00 C ATOM 798 CG ASP A 129 -4.047 -2.245 10.033 1.00 0.00 C ATOM 799 OD1 ASP A 129 -3.986 -1.615 11.070 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.072 -2.407 9.393 1.00 0.00 O ATOM 0 H ASP A 129 -0.519 -3.215 8.512 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.721 -0.985 9.467 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.824 -2.991 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.630 -3.862 9.934 1.00 0.00 H new ATOM 805 N ILE A 130 -1.646 -0.716 11.919 1.00 0.00 N ATOM 806 CA ILE A 130 -1.522 -0.503 13.366 1.00 0.00 C ATOM 807 C ILE A 130 -2.856 -0.750 14.064 1.00 0.00 C ATOM 808 O ILE A 130 -2.898 -1.155 15.226 1.00 0.00 O ATOM 809 CB ILE A 130 -1.040 0.927 13.657 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.279 1.171 12.923 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.811 1.096 15.169 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.760 2.601 13.198 1.00 0.00 C ATOM 0 H ILE A 130 -1.920 0.112 11.391 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.789 -1.212 13.751 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.792 1.640 13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.030 0.453 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.145 1.021 11.852 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.469 2.110 15.374 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.745 0.913 15.701 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.057 0.384 15.505 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.700 2.775 12.675 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.012 3.311 12.846 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.910 2.735 14.269 1.00 0.00 H new ATOM 824 N ASP A 131 -3.940 -0.493 13.347 1.00 0.00 N ATOM 825 CA ASP A 131 -5.290 -0.679 13.895 1.00 0.00 C ATOM 826 C ASP A 131 -5.811 -2.085 13.592 1.00 0.00 C ATOM 827 O ASP A 131 -6.888 -2.471 14.047 1.00 0.00 O ATOM 828 CB ASP A 131 -6.239 0.361 13.289 1.00 0.00 C ATOM 829 CG ASP A 131 -5.757 1.769 13.630 1.00 0.00 C ATOM 830 OD1 ASP A 131 -5.338 1.978 14.757 1.00 0.00 O ATOM 831 OD2 ASP A 131 -5.818 2.622 12.757 1.00 0.00 O ATOM 0 H ASP A 131 -3.919 -0.155 12.385 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.245 -0.551 14.977 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.286 0.236 12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.249 0.211 13.671 1.00 0.00 H new ATOM 836 N GLY A 132 -5.039 -2.842 12.816 1.00 0.00 N ATOM 837 CA GLY A 132 -5.424 -4.203 12.448 1.00 0.00 C ATOM 838 C GLY A 132 -6.897 -4.265 12.055 1.00 0.00 C ATOM 839 O GLY A 132 -7.697 -4.929 12.713 1.00 0.00 O ATOM 0 H GLY A 132 -4.145 -2.537 12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.807 -4.548 11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.238 -4.877 13.285 1.00 0.00 H new ATOM 843 N ASP A 133 -7.249 -3.557 10.979 1.00 0.00 N ATOM 844 CA ASP A 133 -8.630 -3.517 10.498 1.00 0.00 C ATOM 845 C ASP A 133 -8.711 -3.950 9.038 1.00 0.00 C ATOM 846 O ASP A 133 -9.751 -4.424 8.584 1.00 0.00 O ATOM 847 CB ASP A 133 -9.166 -2.094 10.638 1.00 0.00 C ATOM 848 CG ASP A 133 -8.408 -1.158 9.696 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.196 -1.079 9.818 1.00 0.00 O ATOM 850 OD2 ASP A 133 -9.054 -0.541 8.867 1.00 0.00 O ATOM 0 H ASP A 133 -6.595 -3.004 10.425 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.229 -4.206 11.094 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.231 -2.073 10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.057 -1.754 11.668 1.00 0.00 H new ATOM 855 N GLY A 134 -7.607 -3.790 8.307 1.00 0.00 N ATOM 856 CA GLY A 134 -7.558 -4.174 6.892 1.00 0.00 C ATOM 857 C GLY A 134 -7.231 -2.979 6.004 1.00 0.00 C ATOM 858 O GLY A 134 -7.128 -3.113 4.789 1.00 0.00 O ATOM 0 H GLY A 134 -6.737 -3.399 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.807 -4.951 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.517 -4.599 6.595 1.00 0.00 H new ATOM 862 N GLN A 135 -7.064 -1.806 6.609 1.00 0.00 N ATOM 863 CA GLN A 135 -6.740 -0.603 5.844 1.00 0.00 C ATOM 864 C GLN A 135 -5.656 0.187 6.555 1.00 0.00 C ATOM 865 O GLN A 135 -5.677 0.322 7.775 1.00 0.00 O ATOM 866 CB GLN A 135 -7.996 0.257 5.665 1.00 0.00 C ATOM 867 CG GLN A 135 -9.103 -0.580 5.009 1.00 0.00 C ATOM 868 CD GLN A 135 -8.650 -1.107 3.650 1.00 0.00 C ATOM 869 OE1 GLN A 135 -8.065 -0.365 2.856 1.00 0.00 O ATOM 870 NE2 GLN A 135 -8.898 -2.349 3.328 1.00 0.00 N ATOM 0 H GLN A 135 -7.146 -1.662 7.615 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.372 -0.894 4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.333 0.632 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.769 1.126 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.367 -1.415 5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.001 0.026 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.382 -2.960 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -8.608 -2.708 2.418 1.00 0.00 H new ATOM 879 N VAL A 136 -4.710 0.722 5.781 1.00 0.00 N ATOM 880 CA VAL A 136 -3.620 1.512 6.356 1.00 0.00 C ATOM 881 C VAL A 136 -3.439 2.812 5.575 1.00 0.00 C ATOM 882 O VAL A 136 -3.552 2.831 4.343 1.00 0.00 O ATOM 883 CB VAL A 136 -2.316 0.694 6.337 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.622 -0.769 6.602 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.626 0.820 4.982 1.00 0.00 C ATOM 0 H VAL A 136 -4.676 0.625 4.766 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.869 1.760 7.388 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.656 1.081 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.695 -1.343 6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.096 -0.870 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.294 -1.146 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.706 0.235 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.288 0.448 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.390 1.867 4.790 1.00 0.00 H new ATOM 895 N ASN A 137 -3.165 3.887 6.296 1.00 0.00 N ATOM 896 CA ASN A 137 -2.972 5.183 5.663 1.00 0.00 C ATOM 897 C ASN A 137 -1.719 5.171 4.786 1.00 0.00 C ATOM 898 O ASN A 137 -1.316 4.123 4.281 1.00 0.00 O ATOM 899 CB ASN A 137 -2.859 6.273 6.727 1.00 0.00 C ATOM 900 CG ASN A 137 -4.111 6.276 7.593 1.00 0.00 C ATOM 901 OD1 ASN A 137 -5.196 6.619 7.119 1.00 0.00 O ATOM 902 ND2 ASN A 137 -4.028 5.906 8.844 1.00 0.00 N ATOM 0 H ASN A 137 -3.072 3.890 7.312 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.834 5.393 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.978 6.101 7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.731 7.246 6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.862 5.901 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.129 5.623 9.233 1.00 0.00 H new ATOM 909 N TYR A 138 -1.123 6.345 4.591 1.00 0.00 N ATOM 910 CA TYR A 138 0.069 6.464 3.759 1.00 0.00 C ATOM 911 C TYR A 138 1.335 6.024 4.504 1.00 0.00 C ATOM 912 O TYR A 138 2.079 5.178 4.015 1.00 0.00 O ATOM 913 CB TYR A 138 0.218 7.917 3.294 1.00 0.00 C ATOM 914 CG TYR A 138 -1.150 8.485 2.972 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.977 7.830 2.050 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.596 9.655 3.600 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.250 8.346 1.755 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.866 10.170 3.307 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.692 9.515 2.385 1.00 0.00 C ATOM 920 OH TYR A 138 -4.944 10.023 2.098 1.00 0.00 O ATOM 0 H TYR A 138 -1.445 7.224 4.997 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.051 5.803 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.697 8.512 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 138 0.860 7.965 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.635 6.927 1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.960 10.161 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.887 7.841 1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.208 11.072 3.792 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.288 10.505 2.879 1.00 0.00 H new ATOM 930 N GLU A 139 1.573 6.596 5.689 1.00 0.00 N ATOM 931 CA GLU A 139 2.763 6.256 6.479 1.00 0.00 C ATOM 932 C GLU A 139 2.804 4.769 6.777 1.00 0.00 C ATOM 933 O GLU A 139 3.676 4.057 6.249 1.00 0.00 O ATOM 934 CB GLU A 139 2.778 7.071 7.767 1.00 0.00 C ATOM 935 CG GLU A 139 2.982 8.544 7.405 1.00 0.00 C ATOM 936 CD GLU A 139 2.930 9.399 8.664 1.00 0.00 C ATOM 937 OE1 GLU A 139 2.785 8.832 9.734 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.037 10.608 8.542 1.00 0.00 O ATOM 0 H GLU A 139 0.964 7.291 6.120 1.00 0.00 H new ATOM 0 HA GLU A 139 3.653 6.502 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.842 6.940 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.577 6.728 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.942 8.675 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.211 8.865 6.704 1.00 0.00 H new ATOM 945 N GLU A 140 1.870 4.320 7.645 1.00 0.00 N ATOM 946 CA GLU A 140 1.771 2.900 8.033 1.00 0.00 C ATOM 947 C GLU A 140 2.221 2.021 6.861 1.00 0.00 C ATOM 948 O GLU A 140 2.743 0.921 7.045 1.00 0.00 O ATOM 949 CB GLU A 140 0.317 2.557 8.369 1.00 0.00 C ATOM 950 CG GLU A 140 -0.126 3.263 9.652 1.00 0.00 C ATOM 951 CD GLU A 140 -1.602 2.980 9.923 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.186 2.204 9.183 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.124 3.545 10.868 1.00 0.00 O ATOM 0 H GLU A 140 1.176 4.922 8.088 1.00 0.00 H new ATOM 0 HA GLU A 140 2.404 2.723 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.331 2.853 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.211 1.479 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.478 2.921 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.036 4.337 9.560 1.00 0.00 H new ATOM 960 N PHE A 141 2.031 2.550 5.644 1.00 0.00 N ATOM 961 CA PHE A 141 2.438 1.856 4.432 1.00 0.00 C ATOM 962 C PHE A 141 3.879 2.207 4.060 1.00 0.00 C ATOM 963 O PHE A 141 4.701 1.310 3.880 1.00 0.00 O ATOM 964 CB PHE A 141 1.509 2.250 3.275 1.00 0.00 C ATOM 965 CG PHE A 141 1.409 1.113 2.284 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.548 0.681 1.597 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.183 0.485 2.063 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.453 -0.377 0.686 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.086 -0.566 1.162 1.00 0.00 C ATOM 970 CZ PHE A 141 1.220 -1.002 0.466 1.00 0.00 C ATOM 0 H PHE A 141 1.596 3.458 5.481 1.00 0.00 H new ATOM 0 HA PHE A 141 2.374 0.783 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.519 2.496 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.890 3.143 2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.499 1.163 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.695 0.819 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.331 -0.711 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.866 -1.049 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.144 -1.817 -0.238 1.00 0.00 H new ATOM 980 N VAL A 142 4.162 3.513 3.913 1.00 0.00 N ATOM 981 CA VAL A 142 5.504 3.976 3.526 1.00 0.00 C ATOM 982 C VAL A 142 6.570 3.036 4.068 1.00 0.00 C ATOM 983 O VAL A 142 7.336 2.448 3.304 1.00 0.00 O ATOM 984 CB VAL A 142 5.743 5.389 4.074 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.227 5.764 3.936 1.00 0.00 C ATOM 986 CG2 VAL A 142 4.881 6.403 3.293 1.00 0.00 C ATOM 0 H VAL A 142 3.484 4.261 4.055 1.00 0.00 H new ATOM 0 HA VAL A 142 5.566 3.989 2.438 1.00 0.00 H new ATOM 0 HB VAL A 142 5.465 5.411 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.386 6.769 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.835 5.055 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.513 5.735 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.053 7.405 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.152 6.375 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.827 6.146 3.404 1.00 0.00 H new ATOM 996 N GLN A 143 6.624 2.907 5.390 1.00 0.00 N ATOM 997 CA GLN A 143 7.624 2.035 6.015 1.00 0.00 C ATOM 998 C GLN A 143 7.800 0.749 5.201 1.00 0.00 C ATOM 999 O GLN A 143 8.840 0.534 4.580 1.00 0.00 O ATOM 1000 CB GLN A 143 7.171 1.685 7.432 1.00 0.00 C ATOM 1001 CG GLN A 143 7.096 2.956 8.287 1.00 0.00 C ATOM 1002 CD GLN A 143 8.488 3.552 8.470 1.00 0.00 C ATOM 1003 OE1 GLN A 143 9.446 2.824 8.740 1.00 0.00 O ATOM 1004 NE2 GLN A 143 8.659 4.842 8.346 1.00 0.00 N ATOM 0 H GLN A 143 6.002 3.383 6.043 1.00 0.00 H new ATOM 0 HA GLN A 143 8.579 2.559 6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.196 1.199 7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.867 0.976 7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.440 3.685 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.661 2.724 9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.865 5.443 8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.586 5.248 8.473 1.00 0.00 H new ATOM 1013 N MET A 144 6.780 -0.103 5.201 1.00 0.00 N ATOM 1014 CA MET A 144 6.852 -1.360 4.454 1.00 0.00 C ATOM 1015 C MET A 144 7.475 -1.133 3.075 1.00 0.00 C ATOM 1016 O MET A 144 8.369 -1.869 2.661 1.00 0.00 O ATOM 1017 CB MET A 144 5.440 -1.937 4.291 1.00 0.00 C ATOM 1018 CG MET A 144 4.997 -2.608 5.589 1.00 0.00 C ATOM 1019 SD MET A 144 5.970 -4.115 5.859 1.00 0.00 S ATOM 1020 CE MET A 144 4.609 -5.188 6.390 1.00 0.00 C ATOM 0 H MET A 144 5.904 0.048 5.701 1.00 0.00 H new ATOM 0 HA MET A 144 7.477 -2.061 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.742 -1.143 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.425 -2.660 3.475 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.128 -1.923 6.427 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.936 -2.852 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.008 -6.150 6.712 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.078 -4.719 7.219 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.921 -5.341 5.559 1.00 0.00 H new ATOM 1030 N MET A 145 6.992 -0.115 2.367 1.00 0.00 N ATOM 1031 CA MET A 145 7.509 0.187 1.034 1.00 0.00 C ATOM 1032 C MET A 145 9.005 0.494 1.089 1.00 0.00 C ATOM 1033 O MET A 145 9.470 1.222 1.966 1.00 0.00 O ATOM 1034 CB MET A 145 6.753 1.382 0.445 1.00 0.00 C ATOM 1035 CG MET A 145 7.169 1.605 -1.015 1.00 0.00 C ATOM 1036 SD MET A 145 5.854 2.504 -1.879 1.00 0.00 S ATOM 1037 CE MET A 145 6.020 4.070 -0.992 1.00 0.00 C ATOM 0 H MET A 145 6.252 0.509 2.689 1.00 0.00 H new ATOM 0 HA MET A 145 7.361 -0.686 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.679 1.206 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.961 2.277 1.031 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.101 2.169 -1.058 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.353 0.648 -1.503 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.378 4.820 -1.454 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.726 3.932 0.048 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.057 4.404 -1.035 1.00 0.00 H new ATOM 1047 N THR A 146 9.757 -0.071 0.142 1.00 0.00 N ATOM 1048 CA THR A 146 11.202 0.141 0.095 1.00 0.00 C ATOM 1049 C THR A 146 11.538 1.504 -0.505 1.00 0.00 C ATOM 1050 O THR A 146 12.404 1.617 -1.372 1.00 0.00 O ATOM 1051 CB THR A 146 11.876 -0.962 -0.726 1.00 0.00 C ATOM 1052 OG1 THR A 146 11.459 -0.871 -2.081 1.00 0.00 O ATOM 1053 CG2 THR A 146 11.493 -2.331 -0.161 1.00 0.00 C ATOM 0 H THR A 146 9.392 -0.673 -0.596 1.00 0.00 H new ATOM 0 HA THR A 146 11.577 0.110 1.118 1.00 0.00 H new ATOM 0 HB THR A 146 12.958 -0.840 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 146 11.754 -0.016 -2.457 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.974 -3.114 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.821 -2.401 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.411 -2.455 -0.209 1.00 0.00 H new ATOM 1061 N ALA A 147 10.850 2.538 -0.029 1.00 0.00 N ATOM 1062 CA ALA A 147 11.077 3.902 -0.506 1.00 0.00 C ATOM 1063 C ALA A 147 11.951 4.663 0.490 1.00 0.00 C ATOM 1064 O ALA A 147 11.450 5.210 1.472 1.00 0.00 O ATOM 1065 CB ALA A 147 9.732 4.613 -0.676 1.00 0.00 C ATOM 0 H ALA A 147 10.129 2.459 0.688 1.00 0.00 H new ATOM 0 HA ALA A 147 11.589 3.869 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 147 9.900 5.630 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 147 9.123 4.072 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 147 9.214 4.645 0.282 1.00 0.00 H new ATOM 1071 N LYS A 148 13.257 4.703 0.227 1.00 0.00 N ATOM 1072 CA LYS A 148 14.186 5.406 1.105 1.00 0.00 C ATOM 1073 C LYS A 148 13.921 6.910 1.038 1.00 0.00 C ATOM 1074 O LYS A 148 14.201 7.494 0.003 1.00 0.00 O ATOM 1075 CB LYS A 148 15.635 5.097 0.688 1.00 0.00 C ATOM 1076 CG LYS A 148 16.628 5.725 1.680 1.00 0.00 C ATOM 1077 CD LYS A 148 18.068 5.376 1.264 1.00 0.00 C ATOM 1078 CE LYS A 148 19.059 6.005 2.250 1.00 0.00 C ATOM 1079 NZ LYS A 148 18.871 5.412 3.603 1.00 0.00 N ATOM 1080 OXT LYS A 148 13.439 7.453 2.018 1.00 0.00 O ATOM 0 H LYS A 148 13.692 4.259 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 148 14.039 5.069 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 148 15.786 4.018 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 148 15.821 5.482 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 148 16.498 6.807 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 148 16.431 5.358 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 148 18.198 4.294 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 148 18.263 5.740 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 148 20.081 5.838 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 148 18.909 7.084 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 19.713 5.599 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 18.037 5.837 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 18.732 4.385 3.516 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -8.310 0.898 0.225 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.693 0.677 10.146 1.00 0.00 CA