USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 473 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 Single : A1073 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1074 THR OG1 : rot 151:sc= 1.98 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -102:sc= 0.71 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A1082 ASN : amide:sc= 0.052 X(o=0.052,f=-0.42) USER MOD Single : A1087 THR OG1 : rot -102:sc= -1.37 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A1108 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Single : A1112 GLN : amide:sc= 1.01 K(o=1,f=-4.6!) USER MOD Single : A1116 LYS NZ :NH3+ 168:sc=-0.00024 (180deg=-0.121) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0364 USER MOD Single : A1125 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1.6) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -0.724 -0.530 -1.955 1.00 0.00 N ATOM 2 CA VAL A1069 -1.989 0.099 -1.513 1.00 0.00 C ATOM 3 C VAL A1069 -2.233 1.402 -2.267 1.00 0.00 C ATOM 4 O VAL A1069 -3.307 1.611 -2.828 1.00 0.00 O ATOM 5 CB VAL A1069 -1.978 0.391 0.006 1.00 0.00 C ATOM 6 CG1 VAL A1069 -3.268 1.074 0.442 1.00 0.00 C ATOM 7 CG2 VAL A1069 -1.762 -0.887 0.799 1.00 0.00 C ATOM 0 HA VAL A1069 -2.791 -0.607 -1.729 1.00 0.00 H new ATOM 0 HB VAL A1069 -1.149 1.069 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -3.233 1.267 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -3.379 2.017 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -4.116 0.427 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -1.758 -0.658 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -2.566 -1.590 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -0.807 -1.331 0.520 1.00 0.00 H new ATOM 19 N ARG A1070 -1.236 2.277 -2.287 1.00 0.00 N ATOM 20 CA ARG A1070 -1.398 3.573 -2.921 1.00 0.00 C ATOM 21 C ARG A1070 -0.341 3.804 -3.999 1.00 0.00 C ATOM 22 O ARG A1070 0.855 3.921 -3.711 1.00 0.00 O ATOM 23 CB ARG A1070 -1.335 4.691 -1.877 1.00 0.00 C ATOM 24 CG ARG A1070 -1.609 6.068 -2.458 1.00 0.00 C ATOM 25 CD ARG A1070 -1.331 7.171 -1.455 1.00 0.00 C ATOM 26 NE ARG A1070 -2.214 7.118 -0.293 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.979 7.773 0.843 1.00 0.00 C ATOM 28 NH1 ARG A1070 -0.867 8.484 0.983 1.00 0.00 N ATOM 29 NH2 ARG A1070 -2.851 7.710 1.835 1.00 0.00 N ATOM 0 H ARG A1070 -0.317 2.113 -1.876 1.00 0.00 H new ATOM 0 HA ARG A1070 -2.377 3.586 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -2.060 4.485 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.349 4.690 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -0.991 6.218 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.648 6.125 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.296 7.100 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.442 8.138 -1.946 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.057 6.548 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.191 8.529 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.688 8.985 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.704 7.160 1.730 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.671 8.211 2.705 1.00 0.00 H new ATOM 43 N ARG A1071 -0.787 3.871 -5.238 1.00 0.00 N ATOM 44 CA ARG A1071 0.077 4.209 -6.343 1.00 0.00 C ATOM 45 C ARG A1071 -0.469 5.465 -6.993 1.00 0.00 C ATOM 46 O ARG A1071 -1.581 5.891 -6.686 1.00 0.00 O ATOM 47 CB ARG A1071 0.141 3.070 -7.360 1.00 0.00 C ATOM 48 CG ARG A1071 0.703 1.771 -6.797 1.00 0.00 C ATOM 49 CD ARG A1071 0.853 0.707 -7.873 1.00 0.00 C ATOM 50 NE ARG A1071 -0.427 0.348 -8.478 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.600 0.091 -9.773 1.00 0.00 C ATOM 52 NH1 ARG A1071 0.424 0.138 -10.616 1.00 0.00 N ATOM 53 NH2 ARG A1071 -1.802 -0.225 -10.225 1.00 0.00 N ATOM 0 H ARG A1071 -1.756 3.693 -5.503 1.00 0.00 H new ATOM 0 HA ARG A1071 1.091 4.376 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.861 2.884 -7.746 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.754 3.384 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.673 1.963 -6.338 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.046 1.402 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.530 1.069 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.310 -0.183 -7.440 1.00 0.00 H new ATOM 0 HE ARG A1071 -1.242 0.290 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A1071 1.356 0.373 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A1071 0.279 -0.061 -11.606 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.593 -0.271 -9.582 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -1.938 -0.423 -11.216 1.00 0.00 H new ATOM 67 N VAL A1072 0.305 6.065 -7.862 1.00 0.00 N ATOM 68 CA VAL A1072 -0.127 7.237 -8.596 1.00 0.00 C ATOM 69 C VAL A1072 0.348 7.123 -10.040 1.00 0.00 C ATOM 70 O VAL A1072 1.238 6.326 -10.344 1.00 0.00 O ATOM 71 CB VAL A1072 0.419 8.546 -7.982 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.097 8.751 -6.567 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.937 8.561 -8.002 1.00 0.00 C ATOM 0 H VAL A1072 1.252 5.758 -8.083 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.215 7.279 -8.547 1.00 0.00 H new ATOM 0 HB VAL A1072 0.058 9.372 -8.594 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.306 9.680 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.186 8.803 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.219 7.917 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.297 9.492 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.317 7.718 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.288 8.484 -9.031 1.00 0.00 H new ATOM 83 N LYS A1073 -0.243 7.900 -10.919 1.00 0.00 N ATOM 84 CA LYS A1073 0.142 7.907 -12.312 1.00 0.00 C ATOM 85 C LYS A1073 0.159 9.331 -12.816 1.00 0.00 C ATOM 86 O LYS A1073 -0.869 9.996 -12.869 1.00 0.00 O ATOM 87 CB LYS A1073 -0.825 7.077 -13.136 1.00 0.00 C ATOM 88 CG LYS A1073 -0.330 6.808 -14.538 1.00 0.00 C ATOM 89 CD LYS A1073 -1.399 6.140 -15.366 1.00 0.00 C ATOM 90 CE LYS A1073 -0.822 5.566 -16.650 1.00 0.00 C ATOM 91 NZ LYS A1073 -1.834 4.796 -17.419 1.00 0.00 N ATOM 0 H LYS A1073 -1.001 8.543 -10.690 1.00 0.00 H new ATOM 0 HA LYS A1073 1.136 7.471 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.001 6.127 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.784 7.593 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -0.032 7.745 -15.009 1.00 0.00 H new ATOM 0 HG3 LYS A1073 0.556 6.174 -14.500 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.867 5.344 -14.787 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -2.180 6.861 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.436 6.377 -17.268 1.00 0.00 H new ATOM 0 HE3 LYS A1073 0.022 4.918 -16.411 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -1.400 4.422 -18.287 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -2.184 4.007 -16.839 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -2.628 5.420 -17.670 1.00 0.00 H new ATOM 105 N THR A1074 1.331 9.783 -13.178 1.00 0.00 N ATOM 106 CA THR A1074 1.556 11.173 -13.516 1.00 0.00 C ATOM 107 C THR A1074 0.683 11.629 -14.687 1.00 0.00 C ATOM 108 O THR A1074 0.688 11.026 -15.758 1.00 0.00 O ATOM 109 CB THR A1074 3.041 11.375 -13.846 1.00 0.00 C ATOM 110 OG1 THR A1074 3.385 10.623 -15.012 1.00 0.00 O ATOM 111 CG2 THR A1074 3.896 10.901 -12.682 1.00 0.00 C ATOM 0 H THR A1074 2.164 9.198 -13.249 1.00 0.00 H new ATOM 0 HA THR A1074 1.278 11.783 -12.657 1.00 0.00 H new ATOM 0 HB THR A1074 3.221 12.435 -14.026 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.119 11.069 -15.484 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.949 11.047 -12.921 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.644 11.473 -11.789 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.708 9.843 -12.500 1.00 0.00 H new ATOM 119 N ILE A1075 -0.080 12.690 -14.464 1.00 0.00 N ATOM 120 CA ILE A1075 -0.922 13.267 -15.504 1.00 0.00 C ATOM 121 C ILE A1075 -0.306 14.562 -16.018 1.00 0.00 C ATOM 122 O ILE A1075 -0.840 15.211 -16.919 1.00 0.00 O ATOM 123 CB ILE A1075 -2.358 13.538 -15.000 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.331 14.327 -13.688 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.120 12.233 -14.826 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.706 14.632 -13.141 1.00 0.00 C ATOM 0 H ILE A1075 -0.133 13.172 -13.566 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.983 12.541 -16.314 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.875 14.139 -15.748 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.770 13.761 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.796 15.263 -13.847 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.128 12.445 -14.471 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.174 11.713 -15.782 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.604 11.605 -14.100 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.611 15.193 -12.211 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.263 15.224 -13.867 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.237 13.699 -12.950 1.00 0.00 H new ATOM 138 N TYR A1076 0.827 14.924 -15.429 1.00 0.00 N ATOM 139 CA TYR A1076 1.596 16.083 -15.846 1.00 0.00 C ATOM 140 C TYR A1076 3.068 15.722 -15.792 1.00 0.00 C ATOM 141 O TYR A1076 3.444 14.771 -15.106 1.00 0.00 O ATOM 142 CB TYR A1076 1.330 17.285 -14.935 1.00 0.00 C ATOM 143 CG TYR A1076 -0.077 17.837 -15.012 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.484 18.617 -16.090 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.993 17.595 -13.997 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.763 19.135 -16.151 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.274 18.108 -14.054 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.653 18.877 -15.132 1.00 0.00 C ATOM 149 OH TYR A1076 -3.925 19.395 -15.188 1.00 0.00 O ATOM 0 H TYR A1076 1.238 14.417 -14.645 1.00 0.00 H new ATOM 0 HA TYR A1076 1.301 16.360 -16.858 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.536 16.996 -13.905 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.032 18.079 -15.190 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.211 18.821 -16.891 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.699 16.995 -13.148 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.064 19.740 -16.994 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.975 17.907 -13.257 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.426 19.118 -14.393 1.00 0.00 H new ATOM 159 N ASP A1077 3.893 16.453 -16.520 1.00 0.00 N ATOM 160 CA ASP A1077 5.324 16.198 -16.503 1.00 0.00 C ATOM 161 C ASP A1077 5.994 17.023 -15.420 1.00 0.00 C ATOM 162 O ASP A1077 5.637 18.177 -15.182 1.00 0.00 O ATOM 163 CB ASP A1077 5.966 16.480 -17.867 1.00 0.00 C ATOM 164 CG ASP A1077 5.962 17.946 -18.250 1.00 0.00 C ATOM 165 OD1 ASP A1077 4.917 18.434 -18.734 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.010 18.610 -18.098 1.00 0.00 O ATOM 0 H ASP A1077 3.602 17.221 -17.125 1.00 0.00 H new ATOM 0 HA ASP A1077 5.470 15.140 -16.284 1.00 0.00 H new ATOM 0 HB2 ASP A1077 6.994 16.119 -17.856 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.437 15.912 -18.632 1.00 0.00 H new ATOM 171 N CYS A1078 6.946 16.412 -14.750 1.00 0.00 N ATOM 172 CA CYS A1078 7.691 17.074 -13.688 1.00 0.00 C ATOM 173 C CYS A1078 9.185 17.003 -13.959 1.00 0.00 C ATOM 174 O CYS A1078 9.769 15.917 -14.008 1.00 0.00 O ATOM 175 CB CYS A1078 7.373 16.443 -12.335 1.00 0.00 C ATOM 176 SG CYS A1078 8.385 17.044 -10.959 1.00 0.00 S ATOM 0 H CYS A1078 7.229 15.447 -14.920 1.00 0.00 H new ATOM 0 HA CYS A1078 7.390 18.121 -13.664 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.324 16.626 -12.103 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.499 15.363 -12.415 1.00 0.00 H new ATOM 0 HG CYS A1078 9.300 16.165 -10.677 1.00 0.00 H new ATOM 182 N GLN A1079 9.794 18.163 -14.140 1.00 0.00 N ATOM 183 CA GLN A1079 11.221 18.253 -14.390 1.00 0.00 C ATOM 184 C GLN A1079 11.950 18.630 -13.105 1.00 0.00 C ATOM 185 O GLN A1079 12.064 19.808 -12.761 1.00 0.00 O ATOM 186 CB GLN A1079 11.504 19.278 -15.490 1.00 0.00 C ATOM 187 CG GLN A1079 10.895 18.912 -16.834 1.00 0.00 C ATOM 188 CD GLN A1079 11.149 19.965 -17.889 1.00 0.00 C ATOM 189 OE1 GLN A1079 11.258 21.153 -17.585 1.00 0.00 O ATOM 190 NE2 GLN A1079 11.252 19.539 -19.136 1.00 0.00 N ATOM 0 H GLN A1079 9.316 19.064 -14.118 1.00 0.00 H new ATOM 0 HA GLN A1079 11.584 17.282 -14.726 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.119 20.249 -15.178 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.582 19.385 -15.606 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.306 17.960 -17.169 1.00 0.00 H new ATOM 0 HG3 GLN A1079 9.821 18.771 -16.717 1.00 0.00 H new ATOM 0 HE21 GLN A1079 11.155 18.545 -19.345 1.00 0.00 H new ATOM 0 HE22 GLN A1079 11.428 20.204 -19.889 1.00 0.00 H new ATOM 199 N ALA A1080 12.419 17.616 -12.391 1.00 0.00 N ATOM 200 CA ALA A1080 13.104 17.813 -11.120 1.00 0.00 C ATOM 201 C ALA A1080 14.407 18.572 -11.302 1.00 0.00 C ATOM 202 O ALA A1080 15.330 18.101 -11.972 1.00 0.00 O ATOM 203 CB ALA A1080 13.377 16.476 -10.459 1.00 0.00 C ATOM 0 H ALA A1080 12.336 16.639 -12.674 1.00 0.00 H new ATOM 0 HA ALA A1080 12.451 18.408 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.889 16.637 -9.510 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.434 15.960 -10.279 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.004 15.869 -11.112 1.00 0.00 H new ATOM 209 N ASP A1081 14.475 19.752 -10.705 1.00 0.00 N ATOM 210 CA ASP A1081 15.700 20.541 -10.717 1.00 0.00 C ATOM 211 C ASP A1081 16.500 20.267 -9.446 1.00 0.00 C ATOM 212 O ASP A1081 17.570 20.834 -9.223 1.00 0.00 O ATOM 213 CB ASP A1081 15.376 22.031 -10.852 1.00 0.00 C ATOM 214 CG ASP A1081 16.603 22.877 -11.137 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.284 22.623 -12.156 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.878 23.816 -10.361 1.00 0.00 O ATOM 0 H ASP A1081 13.698 20.185 -10.206 1.00 0.00 H new ATOM 0 HA ASP A1081 16.304 20.252 -11.577 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.651 22.169 -11.654 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.905 22.380 -9.933 1.00 0.00 H new ATOM 221 N ASN A1082 15.965 19.375 -8.620 1.00 0.00 N ATOM 222 CA ASN A1082 16.651 18.919 -7.421 1.00 0.00 C ATOM 223 C ASN A1082 16.622 17.398 -7.407 1.00 0.00 C ATOM 224 O ASN A1082 15.585 16.798 -7.682 1.00 0.00 O ATOM 225 CB ASN A1082 15.978 19.496 -6.167 1.00 0.00 C ATOM 226 CG ASN A1082 16.510 18.905 -4.873 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.694 18.603 -4.750 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.628 18.705 -3.909 1.00 0.00 N ATOM 0 H ASN A1082 15.049 18.951 -8.763 1.00 0.00 H new ATOM 0 HA ASN A1082 17.685 19.265 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A1082 16.122 20.576 -6.151 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.904 19.318 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.923 18.287 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.652 18.969 -4.048 1.00 0.00 H new ATOM 235 N ASP A1083 17.755 16.776 -7.111 1.00 0.00 N ATOM 236 CA ASP A1083 17.888 15.324 -7.250 1.00 0.00 C ATOM 237 C ASP A1083 17.082 14.581 -6.189 1.00 0.00 C ATOM 238 O ASP A1083 16.863 13.375 -6.292 1.00 0.00 O ATOM 239 CB ASP A1083 19.360 14.905 -7.182 1.00 0.00 C ATOM 240 CG ASP A1083 19.579 13.487 -7.679 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.425 13.253 -8.899 1.00 0.00 O ATOM 242 OD2 ASP A1083 19.893 12.598 -6.860 1.00 0.00 O ATOM 0 H ASP A1083 18.594 17.248 -6.774 1.00 0.00 H new ATOM 0 HA ASP A1083 17.488 15.054 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.959 15.593 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.711 14.985 -6.153 1.00 0.00 H new ATOM 247 N ASP A1084 16.633 15.303 -5.170 1.00 0.00 N ATOM 248 CA ASP A1084 15.803 14.703 -4.133 1.00 0.00 C ATOM 249 C ASP A1084 14.353 14.629 -4.609 1.00 0.00 C ATOM 250 O ASP A1084 13.545 13.869 -4.070 1.00 0.00 O ATOM 251 CB ASP A1084 15.908 15.491 -2.822 1.00 0.00 C ATOM 252 CG ASP A1084 15.462 14.675 -1.623 1.00 0.00 C ATOM 253 OD1 ASP A1084 16.213 13.770 -1.204 1.00 0.00 O ATOM 254 OD2 ASP A1084 14.371 14.947 -1.077 1.00 0.00 O ATOM 0 H ASP A1084 16.827 16.296 -5.040 1.00 0.00 H new ATOM 0 HA ASP A1084 16.161 13.692 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.939 15.814 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A1084 15.299 16.392 -2.892 1.00 0.00 H new ATOM 259 N GLU A1085 14.043 15.411 -5.643 1.00 0.00 N ATOM 260 CA GLU A1085 12.736 15.362 -6.292 1.00 0.00 C ATOM 261 C GLU A1085 12.719 14.191 -7.275 1.00 0.00 C ATOM 262 O GLU A1085 13.638 13.371 -7.289 1.00 0.00 O ATOM 263 CB GLU A1085 12.458 16.659 -7.072 1.00 0.00 C ATOM 264 CG GLU A1085 12.879 17.939 -6.378 1.00 0.00 C ATOM 265 CD GLU A1085 12.231 18.163 -5.035 1.00 0.00 C ATOM 266 OE1 GLU A1085 11.053 18.567 -5.001 1.00 0.00 O ATOM 267 OE2 GLU A1085 12.915 17.989 -4.011 1.00 0.00 O ATOM 0 H GLU A1085 14.686 16.090 -6.050 1.00 0.00 H new ATOM 0 HA GLU A1085 11.971 15.242 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A1085 12.970 16.602 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.390 16.714 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A1085 13.961 17.928 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A1085 12.644 18.783 -7.026 1.00 0.00 H new ATOM 274 N LEU A1086 11.692 14.118 -8.106 1.00 0.00 N ATOM 275 CA LEU A1086 11.654 13.107 -9.151 1.00 0.00 C ATOM 276 C LEU A1086 11.314 13.722 -10.502 1.00 0.00 C ATOM 277 O LEU A1086 10.477 14.625 -10.597 1.00 0.00 O ATOM 278 CB LEU A1086 10.655 11.993 -8.832 1.00 0.00 C ATOM 279 CG LEU A1086 10.587 10.899 -9.901 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.938 10.232 -10.067 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.536 9.862 -9.568 1.00 0.00 C ATOM 0 H LEU A1086 10.883 14.738 -8.079 1.00 0.00 H new ATOM 0 HA LEU A1086 12.652 12.672 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.923 11.539 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.664 12.430 -8.710 1.00 0.00 H new ATOM 0 HG LEU A1086 10.307 11.376 -10.840 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.870 9.457 -10.831 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.676 10.975 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.241 9.783 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.516 9.101 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.775 9.395 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.559 10.342 -9.503 1.00 0.00 H new ATOM 293 N THR A1087 11.974 13.221 -11.535 1.00 0.00 N ATOM 294 CA THR A1087 11.730 13.658 -12.897 1.00 0.00 C ATOM 295 C THR A1087 10.903 12.613 -13.634 1.00 0.00 C ATOM 296 O THR A1087 11.292 11.447 -13.722 1.00 0.00 O ATOM 297 CB THR A1087 13.046 13.871 -13.665 1.00 0.00 C ATOM 298 OG1 THR A1087 13.991 14.562 -12.839 1.00 0.00 O ATOM 299 CG2 THR A1087 12.805 14.664 -14.942 1.00 0.00 C ATOM 0 H THR A1087 12.692 12.501 -11.451 1.00 0.00 H new ATOM 0 HA THR A1087 11.194 14.606 -12.847 1.00 0.00 H new ATOM 0 HB THR A1087 13.446 12.893 -13.933 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.028 15.505 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.750 14.802 -15.468 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.109 14.121 -15.582 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.383 15.637 -14.692 1.00 0.00 H new ATOM 307 N PHE A1088 9.770 13.037 -14.158 1.00 0.00 N ATOM 308 CA PHE A1088 8.869 12.143 -14.873 1.00 0.00 C ATOM 309 C PHE A1088 8.041 12.926 -15.883 1.00 0.00 C ATOM 310 O PHE A1088 7.986 14.154 -15.830 1.00 0.00 O ATOM 311 CB PHE A1088 7.944 11.410 -13.890 1.00 0.00 C ATOM 312 CG PHE A1088 7.160 12.320 -12.982 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.085 13.055 -13.465 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.497 12.439 -11.645 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.365 13.887 -12.629 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.779 13.267 -10.805 1.00 0.00 C ATOM 317 CZ PHE A1088 5.711 13.992 -11.298 1.00 0.00 C ATOM 0 H PHE A1088 9.446 14.003 -14.103 1.00 0.00 H new ATOM 0 HA PHE A1088 9.468 11.404 -15.404 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.247 10.793 -14.457 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.544 10.735 -13.279 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.809 12.975 -14.506 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.332 11.877 -11.254 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.532 14.454 -13.017 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.052 13.348 -9.763 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.148 14.640 -10.642 1.00 0.00 H new ATOM 327 N ILE A1089 7.404 12.217 -16.796 1.00 0.00 N ATOM 328 CA ILE A1089 6.495 12.840 -17.746 1.00 0.00 C ATOM 329 C ILE A1089 5.124 12.191 -17.629 1.00 0.00 C ATOM 330 O ILE A1089 4.986 11.151 -16.978 1.00 0.00 O ATOM 331 CB ILE A1089 6.993 12.754 -19.214 1.00 0.00 C ATOM 332 CG1 ILE A1089 6.883 11.327 -19.787 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.424 13.262 -19.316 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.774 10.299 -19.122 1.00 0.00 C ATOM 0 H ILE A1089 7.498 11.207 -16.902 1.00 0.00 H new ATOM 0 HA ILE A1089 6.443 13.899 -17.495 1.00 0.00 H new ATOM 0 HB ILE A1089 6.343 13.390 -19.815 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.848 10.997 -19.703 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.122 11.359 -20.850 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.761 13.196 -20.351 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.466 14.300 -18.986 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.072 12.654 -18.684 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.625 9.328 -19.594 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.817 10.598 -19.229 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.523 10.230 -18.064 1.00 0.00 H new ATOM 346 N GLU A1090 4.120 12.804 -18.242 1.00 0.00 N ATOM 347 CA GLU A1090 2.752 12.298 -18.172 1.00 0.00 C ATOM 348 C GLU A1090 2.688 10.842 -18.627 1.00 0.00 C ATOM 349 O GLU A1090 3.008 10.528 -19.772 1.00 0.00 O ATOM 350 CB GLU A1090 1.800 13.127 -19.044 1.00 0.00 C ATOM 351 CG GLU A1090 2.091 14.618 -19.057 1.00 0.00 C ATOM 352 CD GLU A1090 3.017 15.015 -20.188 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.245 14.831 -20.056 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.516 15.501 -21.220 1.00 0.00 O ATOM 0 H GLU A1090 4.226 13.655 -18.795 1.00 0.00 H new ATOM 0 HA GLU A1090 2.439 12.374 -17.131 1.00 0.00 H new ATOM 0 HB2 GLU A1090 1.846 12.752 -20.067 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.780 12.972 -18.693 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.154 15.168 -19.148 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.539 14.906 -18.106 1.00 0.00 H new ATOM 361 N GLY A1091 2.283 9.966 -17.724 1.00 0.00 N ATOM 362 CA GLY A1091 2.100 8.572 -18.069 1.00 0.00 C ATOM 363 C GLY A1091 2.978 7.642 -17.264 1.00 0.00 C ATOM 364 O GLY A1091 2.888 6.422 -17.408 1.00 0.00 O ATOM 0 H GLY A1091 2.076 10.196 -16.752 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.056 8.300 -17.915 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.312 8.435 -19.129 1.00 0.00 H new ATOM 368 N GLU A1092 3.815 8.202 -16.403 1.00 0.00 N ATOM 369 CA GLU A1092 4.674 7.390 -15.556 1.00 0.00 C ATOM 370 C GLU A1092 3.925 6.946 -14.310 1.00 0.00 C ATOM 371 O GLU A1092 3.281 7.754 -13.638 1.00 0.00 O ATOM 372 CB GLU A1092 5.935 8.159 -15.160 1.00 0.00 C ATOM 373 CG GLU A1092 6.881 8.428 -16.318 1.00 0.00 C ATOM 374 CD GLU A1092 7.418 7.157 -16.946 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.723 6.561 -17.791 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.549 6.752 -16.606 1.00 0.00 O ATOM 0 H GLU A1092 3.917 9.209 -16.273 1.00 0.00 H new ATOM 0 HA GLU A1092 4.971 6.509 -16.125 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.644 9.110 -14.713 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.466 7.596 -14.393 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.361 9.012 -17.078 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.715 9.034 -15.966 1.00 0.00 H new ATOM 383 N VAL A1093 3.998 5.662 -14.010 1.00 0.00 N ATOM 384 CA VAL A1093 3.399 5.145 -12.801 1.00 0.00 C ATOM 385 C VAL A1093 4.396 5.256 -11.657 1.00 0.00 C ATOM 386 O VAL A1093 5.577 4.959 -11.821 1.00 0.00 O ATOM 387 CB VAL A1093 2.953 3.681 -12.982 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.417 3.103 -11.681 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.911 3.577 -14.086 1.00 0.00 C ATOM 0 H VAL A1093 4.465 4.963 -14.587 1.00 0.00 H new ATOM 0 HA VAL A1093 2.512 5.735 -12.571 1.00 0.00 H new ATOM 0 HB VAL A1093 3.826 3.095 -13.271 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.111 2.069 -11.841 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.196 3.137 -10.920 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.560 3.688 -11.349 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.606 2.537 -14.202 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.043 4.183 -13.825 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.336 3.937 -15.023 1.00 0.00 H new ATOM 399 N ILE A1094 3.923 5.713 -10.515 1.00 0.00 N ATOM 400 CA ILE A1094 4.762 5.877 -9.338 1.00 0.00 C ATOM 401 C ILE A1094 4.097 5.210 -8.144 1.00 0.00 C ATOM 402 O ILE A1094 2.890 5.299 -7.976 1.00 0.00 O ATOM 403 CB ILE A1094 5.003 7.373 -9.010 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.735 8.074 -10.156 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.781 7.532 -7.709 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.992 9.543 -9.898 1.00 0.00 C ATOM 0 H ILE A1094 2.949 5.981 -10.374 1.00 0.00 H new ATOM 0 HA ILE A1094 5.726 5.413 -9.549 1.00 0.00 H new ATOM 0 HB ILE A1094 4.028 7.844 -8.885 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.687 7.572 -10.330 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.148 7.971 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.935 8.591 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.218 7.083 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.747 7.036 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.514 9.976 -10.751 1.00 0.00 H new ATOM 0 HD12 ILE A1094 5.043 10.059 -9.753 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.605 9.654 -9.003 1.00 0.00 H new ATOM 418 N ILE A1095 4.871 4.529 -7.327 1.00 0.00 N ATOM 419 CA ILE A1095 4.332 3.925 -6.125 1.00 0.00 C ATOM 420 C ILE A1095 4.636 4.806 -4.928 1.00 0.00 C ATOM 421 O ILE A1095 5.798 5.131 -4.669 1.00 0.00 O ATOM 422 CB ILE A1095 4.898 2.512 -5.893 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.610 1.636 -7.116 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.306 1.896 -4.631 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.953 0.180 -6.928 1.00 0.00 C ATOM 0 H ILE A1095 5.870 4.379 -7.470 1.00 0.00 H new ATOM 0 HA ILE A1095 3.253 3.833 -6.252 1.00 0.00 H new ATOM 0 HB ILE A1095 5.977 2.579 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.553 1.719 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.171 2.023 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.719 0.898 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.552 2.520 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.223 1.829 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.719 -0.370 -7.840 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.016 0.082 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.372 -0.227 -6.100 1.00 0.00 H new ATOM 437 N VAL A1096 3.585 5.211 -4.224 1.00 0.00 N ATOM 438 CA VAL A1096 3.728 6.058 -3.052 1.00 0.00 C ATOM 439 C VAL A1096 4.327 5.263 -1.904 1.00 0.00 C ATOM 440 O VAL A1096 3.703 4.337 -1.385 1.00 0.00 O ATOM 441 CB VAL A1096 2.369 6.651 -2.621 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.519 7.515 -1.377 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.753 7.452 -3.756 1.00 0.00 C ATOM 0 H VAL A1096 2.621 4.963 -4.448 1.00 0.00 H new ATOM 0 HA VAL A1096 4.394 6.881 -3.312 1.00 0.00 H new ATOM 0 HB VAL A1096 1.702 5.824 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.547 7.920 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.911 6.910 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.207 8.335 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.796 7.862 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.423 8.267 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.598 6.802 -4.617 1.00 0.00 H new ATOM 453 N THR A1097 5.539 5.617 -1.522 1.00 0.00 N ATOM 454 CA THR A1097 6.247 4.894 -0.489 1.00 0.00 C ATOM 455 C THR A1097 6.277 5.692 0.816 1.00 0.00 C ATOM 456 O THR A1097 6.523 5.134 1.886 1.00 0.00 O ATOM 457 CB THR A1097 7.681 4.562 -0.950 1.00 0.00 C ATOM 458 OG1 THR A1097 8.369 5.765 -1.308 1.00 0.00 O ATOM 459 CG2 THR A1097 7.661 3.616 -2.150 1.00 0.00 C ATOM 0 H THR A1097 6.054 6.405 -1.915 1.00 0.00 H new ATOM 0 HA THR A1097 5.715 3.961 -0.304 1.00 0.00 H new ATOM 0 HB THR A1097 8.199 4.073 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.279 5.547 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.683 3.396 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.158 2.689 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.127 4.087 -2.976 1.00 0.00 H new ATOM 467 N GLY A1098 6.010 6.994 0.724 1.00 0.00 N ATOM 468 CA GLY A1098 5.986 7.842 1.902 1.00 0.00 C ATOM 469 C GLY A1098 5.272 9.157 1.647 1.00 0.00 C ATOM 470 O GLY A1098 4.829 9.418 0.529 1.00 0.00 O ATOM 0 H GLY A1098 5.809 7.477 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.492 7.314 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.008 8.042 2.225 1.00 0.00 H new ATOM 474 N GLU A1099 5.162 9.986 2.679 1.00 0.00 N ATOM 475 CA GLU A1099 4.514 11.293 2.566 1.00 0.00 C ATOM 476 C GLU A1099 5.307 12.360 3.311 1.00 0.00 C ATOM 477 O GLU A1099 5.716 12.155 4.455 1.00 0.00 O ATOM 478 CB GLU A1099 3.091 11.239 3.128 1.00 0.00 C ATOM 479 CG GLU A1099 2.115 10.475 2.256 1.00 0.00 C ATOM 480 CD GLU A1099 0.729 10.409 2.855 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.052 11.451 2.913 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.302 9.310 3.268 1.00 0.00 O ATOM 0 H GLU A1099 5.516 9.776 3.612 1.00 0.00 H new ATOM 0 HA GLU A1099 4.476 11.552 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.118 10.778 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.724 12.257 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A1099 2.061 10.949 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.488 9.463 2.100 1.00 0.00 H new ATOM 489 N GLU A1100 5.505 13.501 2.665 1.00 0.00 N ATOM 490 CA GLU A1100 6.223 14.615 3.272 1.00 0.00 C ATOM 491 C GLU A1100 5.260 15.732 3.625 1.00 0.00 C ATOM 492 O GLU A1100 5.240 16.225 4.751 1.00 0.00 O ATOM 493 CB GLU A1100 7.292 15.153 2.324 1.00 0.00 C ATOM 494 CG GLU A1100 8.520 14.278 2.238 1.00 0.00 C ATOM 495 CD GLU A1100 9.277 14.222 3.549 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.982 15.202 3.872 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.164 13.211 4.269 1.00 0.00 O ATOM 0 H GLU A1100 5.177 13.680 1.716 1.00 0.00 H new ATOM 0 HA GLU A1100 6.705 14.249 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.862 15.260 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.588 16.149 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.226 13.270 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A1100 9.179 14.656 1.456 1.00 0.00 H new ATOM 504 N ASP A1101 4.454 16.111 2.651 1.00 0.00 N ATOM 505 CA ASP A1101 3.495 17.193 2.818 1.00 0.00 C ATOM 506 C ASP A1101 2.185 16.801 2.142 1.00 0.00 C ATOM 507 O ASP A1101 2.093 15.722 1.559 1.00 0.00 O ATOM 508 CB ASP A1101 4.049 18.495 2.224 1.00 0.00 C ATOM 509 CG ASP A1101 3.283 19.725 2.679 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.605 20.271 3.756 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.357 20.154 1.959 1.00 0.00 O ATOM 0 H ASP A1101 4.443 15.682 1.726 1.00 0.00 H new ATOM 0 HA ASP A1101 3.314 17.364 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A1101 5.096 18.600 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A1101 4.017 18.435 1.136 1.00 0.00 H new ATOM 516 N GLN A1102 1.187 17.669 2.187 1.00 0.00 N ATOM 517 CA GLN A1102 -0.126 17.336 1.659 1.00 0.00 C ATOM 518 C GLN A1102 -0.123 17.424 0.137 1.00 0.00 C ATOM 519 O GLN A1102 -1.018 16.903 -0.530 1.00 0.00 O ATOM 520 CB GLN A1102 -1.194 18.258 2.250 1.00 0.00 C ATOM 521 CG GLN A1102 -1.057 19.717 1.838 1.00 0.00 C ATOM 522 CD GLN A1102 -2.057 20.612 2.545 1.00 0.00 C ATOM 523 OE1 GLN A1102 -3.146 20.175 2.920 1.00 0.00 O ATOM 524 NE2 GLN A1102 -1.698 21.871 2.728 1.00 0.00 N ATOM 0 H GLN A1102 1.261 18.606 2.582 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.364 16.312 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.177 17.897 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.152 18.194 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -0.046 20.061 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -1.195 19.802 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -0.787 22.194 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -2.332 22.519 3.195 1.00 0.00 H new ATOM 533 N GLU A1103 0.895 18.078 -0.410 1.00 0.00 N ATOM 534 CA GLU A1103 1.030 18.196 -1.851 1.00 0.00 C ATOM 535 C GLU A1103 2.362 17.627 -2.316 1.00 0.00 C ATOM 536 O GLU A1103 2.731 17.745 -3.484 1.00 0.00 O ATOM 537 CB GLU A1103 0.862 19.656 -2.289 1.00 0.00 C ATOM 538 CG GLU A1103 1.698 20.641 -1.490 1.00 0.00 C ATOM 539 CD GLU A1103 1.320 22.082 -1.759 1.00 0.00 C ATOM 540 OE1 GLU A1103 1.712 22.623 -2.816 1.00 0.00 O ATOM 541 OE2 GLU A1103 0.627 22.681 -0.912 1.00 0.00 O ATOM 0 H GLU A1103 1.636 18.533 0.124 1.00 0.00 H new ATOM 0 HA GLU A1103 0.239 17.612 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A1103 1.127 19.741 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.189 19.932 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.581 20.432 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.751 20.495 -1.730 1.00 0.00 H new ATOM 548 N TRP A1104 3.054 16.966 -1.399 1.00 0.00 N ATOM 549 CA TRP A1104 4.367 16.396 -1.680 1.00 0.00 C ATOM 550 C TRP A1104 4.512 15.032 -1.029 1.00 0.00 C ATOM 551 O TRP A1104 4.629 14.922 0.192 1.00 0.00 O ATOM 552 CB TRP A1104 5.479 17.315 -1.179 1.00 0.00 C ATOM 553 CG TRP A1104 5.574 18.596 -1.938 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.886 19.740 -1.687 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.400 18.859 -3.076 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.223 20.703 -2.606 1.00 0.00 N ATOM 557 CE2 TRP A1104 6.156 20.189 -3.466 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.320 18.099 -3.804 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.805 20.777 -4.551 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.964 18.681 -4.879 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.703 20.009 -5.244 1.00 0.00 C ATOM 0 H TRP A1104 2.726 16.810 -0.446 1.00 0.00 H new ATOM 0 HA TRP A1104 4.454 16.289 -2.761 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.310 17.537 -0.125 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.432 16.790 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP A1104 4.178 19.873 -0.883 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.840 21.648 -2.642 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.524 17.074 -3.531 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.607 21.800 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.679 18.104 -5.447 1.00 0.00 H new ATOM 0 HH2 TRP A1104 8.221 20.436 -6.090 1.00 0.00 H new ATOM 572 N TRP A1105 4.503 13.996 -1.841 1.00 0.00 N ATOM 573 CA TRP A1105 4.649 12.645 -1.339 1.00 0.00 C ATOM 574 C TRP A1105 5.991 12.071 -1.764 1.00 0.00 C ATOM 575 O TRP A1105 6.681 12.646 -2.602 1.00 0.00 O ATOM 576 CB TRP A1105 3.504 11.758 -1.838 1.00 0.00 C ATOM 577 CG TRP A1105 2.172 12.110 -1.239 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.938 13.005 -0.237 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.895 11.571 -1.599 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.599 13.055 0.051 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.067 12.186 -0.773 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.471 10.635 -2.542 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.424 11.884 -0.859 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.874 10.338 -2.627 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.809 10.963 -1.793 1.00 0.00 C ATOM 0 H TRP A1105 4.396 14.063 -2.853 1.00 0.00 H new ATOM 0 HA TRP A1105 4.609 12.672 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.439 11.838 -2.923 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.734 10.718 -1.608 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.699 13.590 0.258 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.168 13.644 0.764 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.183 10.151 -3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.146 12.360 -0.212 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.212 9.610 -3.350 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.855 10.713 -1.889 1.00 0.00 H new ATOM 596 N ILE A1106 6.350 10.946 -1.178 1.00 0.00 N ATOM 597 CA ILE A1106 7.585 10.263 -1.510 1.00 0.00 C ATOM 598 C ILE A1106 7.247 8.949 -2.174 1.00 0.00 C ATOM 599 O ILE A1106 6.340 8.240 -1.736 1.00 0.00 O ATOM 600 CB ILE A1106 8.455 9.995 -0.259 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.937 11.308 0.351 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.647 9.108 -0.606 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.711 11.123 1.639 1.00 0.00 C ATOM 0 H ILE A1106 5.795 10.480 -0.460 1.00 0.00 H new ATOM 0 HA ILE A1106 8.160 10.903 -2.179 1.00 0.00 H new ATOM 0 HB ILE A1106 7.839 9.474 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.567 11.826 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.076 11.949 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.244 8.934 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.290 8.155 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.260 9.601 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A1106 10.024 12.096 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.077 10.632 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.591 10.508 1.450 1.00 0.00 H new ATOM 615 N GLY A1107 7.939 8.645 -3.244 1.00 0.00 N ATOM 616 CA GLY A1107 7.676 7.426 -3.951 1.00 0.00 C ATOM 617 C GLY A1107 8.693 7.180 -5.025 1.00 0.00 C ATOM 618 O GLY A1107 9.622 7.968 -5.199 1.00 0.00 O ATOM 0 H GLY A1107 8.682 9.222 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.677 6.591 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.681 7.469 -4.394 1.00 0.00 H new ATOM 622 N HIS A1108 8.505 6.105 -5.754 1.00 0.00 N ATOM 623 CA HIS A1108 9.452 5.701 -6.780 1.00 0.00 C ATOM 624 C HIS A1108 8.728 5.362 -8.070 1.00 0.00 C ATOM 625 O HIS A1108 7.573 4.931 -8.046 1.00 0.00 O ATOM 626 CB HIS A1108 10.287 4.493 -6.308 1.00 0.00 C ATOM 627 CG HIS A1108 9.504 3.241 -6.011 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.585 2.573 -4.814 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.665 2.508 -6.780 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.834 1.489 -4.866 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.267 1.421 -6.048 1.00 0.00 N ATOM 0 H HIS A1108 7.700 5.487 -5.658 1.00 0.00 H new ATOM 0 HA HIS A1108 10.126 6.537 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.028 4.264 -7.074 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.834 4.780 -5.410 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.139 2.868 -4.010 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.363 2.739 -7.791 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.707 0.774 -4.066 1.00 0.00 H new ATOM 640 N ILE A1109 9.410 5.564 -9.185 1.00 0.00 N ATOM 641 CA ILE A1109 8.902 5.147 -10.481 1.00 0.00 C ATOM 642 C ILE A1109 8.661 3.643 -10.474 1.00 0.00 C ATOM 643 O ILE A1109 9.552 2.861 -10.140 1.00 0.00 O ATOM 644 CB ILE A1109 9.892 5.512 -11.618 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.891 7.024 -11.874 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.561 4.756 -12.901 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.583 7.551 -12.430 1.00 0.00 C ATOM 0 H ILE A1109 10.323 6.017 -9.218 1.00 0.00 H new ATOM 0 HA ILE A1109 7.965 5.672 -10.666 1.00 0.00 H new ATOM 0 HB ILE A1109 10.890 5.214 -11.297 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.112 7.541 -10.940 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.694 7.265 -12.570 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.272 5.032 -13.680 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.623 3.683 -12.717 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.552 5.011 -13.224 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.661 8.627 -12.584 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.369 7.063 -13.381 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.778 7.343 -11.725 1.00 0.00 H new ATOM 659 N GLU A1110 7.450 3.247 -10.804 1.00 0.00 N ATOM 660 CA GLU A1110 7.102 1.846 -10.881 1.00 0.00 C ATOM 661 C GLU A1110 7.862 1.189 -12.028 1.00 0.00 C ATOM 662 O GLU A1110 7.870 1.693 -13.153 1.00 0.00 O ATOM 663 CB GLU A1110 5.587 1.696 -11.048 1.00 0.00 C ATOM 664 CG GLU A1110 5.153 0.316 -11.489 1.00 0.00 C ATOM 665 CD GLU A1110 3.665 0.090 -11.363 1.00 0.00 C ATOM 666 OE1 GLU A1110 3.137 0.156 -10.235 1.00 0.00 O ATOM 667 OE2 GLU A1110 3.016 -0.162 -12.398 1.00 0.00 O ATOM 0 H GLU A1110 6.684 3.883 -11.025 1.00 0.00 H new ATOM 0 HA GLU A1110 7.388 1.343 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.102 1.934 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.238 2.427 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.450 0.163 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.679 -0.430 -10.894 1.00 0.00 H new ATOM 674 N GLY A1111 8.513 0.074 -11.732 1.00 0.00 N ATOM 675 CA GLY A1111 9.346 -0.583 -12.717 1.00 0.00 C ATOM 676 C GLY A1111 10.807 -0.186 -12.595 1.00 0.00 C ATOM 677 O GLY A1111 11.672 -0.775 -13.244 1.00 0.00 O ATOM 0 H GLY A1111 8.479 -0.389 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.255 -1.663 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A1111 8.987 -0.336 -13.716 1.00 0.00 H new ATOM 681 N GLN A1112 11.081 0.816 -11.764 1.00 0.00 N ATOM 682 CA GLN A1112 12.450 1.235 -11.480 1.00 0.00 C ATOM 683 C GLN A1112 12.493 2.076 -10.202 1.00 0.00 C ATOM 684 O GLN A1112 12.368 3.304 -10.245 1.00 0.00 O ATOM 685 CB GLN A1112 13.043 2.026 -12.651 1.00 0.00 C ATOM 686 CG GLN A1112 14.491 2.434 -12.427 1.00 0.00 C ATOM 687 CD GLN A1112 15.062 3.234 -13.578 1.00 0.00 C ATOM 688 OE1 GLN A1112 14.339 3.928 -14.291 1.00 0.00 O ATOM 689 NE2 GLN A1112 16.367 3.148 -13.765 1.00 0.00 N ATOM 0 H GLN A1112 10.368 1.356 -11.273 1.00 0.00 H new ATOM 0 HA GLN A1112 13.052 0.338 -11.338 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.978 1.424 -13.557 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.442 2.920 -12.818 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.560 3.023 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A1112 15.096 1.540 -12.277 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.933 2.561 -13.152 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.809 3.668 -14.523 1.00 0.00 H new ATOM 698 N PRO A1113 12.683 1.419 -9.046 1.00 0.00 N ATOM 699 CA PRO A1113 12.712 2.082 -7.733 1.00 0.00 C ATOM 700 C PRO A1113 13.898 3.027 -7.580 1.00 0.00 C ATOM 701 O PRO A1113 13.992 3.770 -6.605 1.00 0.00 O ATOM 702 CB PRO A1113 12.832 0.925 -6.736 1.00 0.00 C ATOM 703 CG PRO A1113 12.476 -0.301 -7.506 1.00 0.00 C ATOM 704 CD PRO A1113 12.879 -0.030 -8.924 1.00 0.00 C ATOM 0 HA PRO A1113 11.828 2.701 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.843 0.856 -6.334 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.161 1.065 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A1113 12.997 -1.174 -7.112 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.408 -0.509 -7.437 1.00 0.00 H new ATOM 0 HD2 PRO A1113 13.914 -0.315 -9.112 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.262 -0.583 -9.633 1.00 0.00 H new ATOM 712 N GLU A1114 14.789 2.991 -8.560 1.00 0.00 N ATOM 713 CA GLU A1114 15.963 3.845 -8.579 1.00 0.00 C ATOM 714 C GLU A1114 15.531 5.297 -8.629 1.00 0.00 C ATOM 715 O GLU A1114 16.088 6.156 -7.941 1.00 0.00 O ATOM 716 CB GLU A1114 16.811 3.520 -9.804 1.00 0.00 C ATOM 717 CG GLU A1114 18.064 4.366 -9.935 1.00 0.00 C ATOM 718 CD GLU A1114 18.679 4.250 -11.309 1.00 0.00 C ATOM 719 OE1 GLU A1114 18.860 3.111 -11.787 1.00 0.00 O ATOM 720 OE2 GLU A1114 18.949 5.299 -11.934 1.00 0.00 O ATOM 0 H GLU A1114 14.716 2.368 -9.364 1.00 0.00 H new ATOM 0 HA GLU A1114 16.552 3.674 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.098 2.469 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A1114 16.202 3.651 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A1114 17.821 5.409 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.791 4.057 -9.184 1.00 0.00 H new ATOM 727 N ARG A1115 14.520 5.562 -9.442 1.00 0.00 N ATOM 728 CA ARG A1115 14.005 6.901 -9.579 1.00 0.00 C ATOM 729 C ARG A1115 12.968 7.166 -8.500 1.00 0.00 C ATOM 730 O ARG A1115 11.781 6.909 -8.701 1.00 0.00 O ATOM 731 CB ARG A1115 13.360 7.118 -10.949 1.00 0.00 C ATOM 732 CG ARG A1115 14.230 6.766 -12.140 1.00 0.00 C ATOM 733 CD ARG A1115 13.589 7.264 -13.426 1.00 0.00 C ATOM 734 NE ARG A1115 14.167 6.645 -14.620 1.00 0.00 N ATOM 735 CZ ARG A1115 14.738 7.325 -15.618 1.00 0.00 C ATOM 736 NH1 ARG A1115 14.914 8.637 -15.524 1.00 0.00 N ATOM 737 NH2 ARG A1115 15.138 6.685 -16.709 1.00 0.00 N ATOM 0 H ARG A1115 14.045 4.863 -10.013 1.00 0.00 H new ATOM 0 HA ARG A1115 14.844 7.590 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.447 6.525 -11.000 1.00 0.00 H new ATOM 0 HB3 ARG A1115 13.066 8.164 -11.032 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.218 7.211 -12.022 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.371 5.686 -12.190 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.519 7.059 -13.397 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.705 8.346 -13.490 1.00 0.00 H new ATOM 0 HE ARG A1115 14.131 5.628 -14.695 1.00 0.00 H new ATOM 0 HH11 ARG A1115 14.612 9.133 -14.685 1.00 0.00 H new ATOM 0 HH12 ARG A1115 15.351 9.149 -16.290 1.00 0.00 H new ATOM 0 HH21 ARG A1115 15.009 5.676 -16.784 1.00 0.00 H new ATOM 0 HH22 ARG A1115 15.574 7.202 -17.472 1.00 0.00 H new ATOM 751 N LYS A1116 13.406 7.661 -7.356 1.00 0.00 N ATOM 752 CA LYS A1116 12.478 7.955 -6.279 1.00 0.00 C ATOM 753 C LYS A1116 12.818 9.267 -5.592 1.00 0.00 C ATOM 754 O LYS A1116 13.900 9.824 -5.787 1.00 0.00 O ATOM 755 CB LYS A1116 12.442 6.814 -5.261 1.00 0.00 C ATOM 756 CG LYS A1116 13.686 6.678 -4.408 1.00 0.00 C ATOM 757 CD LYS A1116 13.529 5.535 -3.427 1.00 0.00 C ATOM 758 CE LYS A1116 14.715 5.445 -2.479 1.00 0.00 C ATOM 759 NZ LYS A1116 14.789 6.603 -1.547 1.00 0.00 N ATOM 0 H LYS A1116 14.384 7.865 -7.150 1.00 0.00 H new ATOM 0 HA LYS A1116 11.487 8.055 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A1116 11.584 6.960 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.281 5.877 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A1116 14.554 6.504 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A1116 13.868 7.607 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.613 5.671 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.427 4.597 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.646 4.523 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.636 5.390 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.481 6.401 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.084 7.452 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 13.854 6.766 -1.121 1.00 0.00 H new ATOM 773 N GLY A1117 11.879 9.746 -4.794 1.00 0.00 N ATOM 774 CA GLY A1117 12.041 11.003 -4.100 1.00 0.00 C ATOM 775 C GLY A1117 10.700 11.629 -3.811 1.00 0.00 C ATOM 776 O GLY A1117 9.704 10.915 -3.672 1.00 0.00 O ATOM 0 H GLY A1117 10.992 9.276 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.581 10.842 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.643 11.683 -4.704 1.00 0.00 H new ATOM 780 N VAL A1118 10.659 12.948 -3.731 1.00 0.00 N ATOM 781 CA VAL A1118 9.404 13.653 -3.518 1.00 0.00 C ATOM 782 C VAL A1118 8.780 14.054 -4.849 1.00 0.00 C ATOM 783 O VAL A1118 9.480 14.447 -5.787 1.00 0.00 O ATOM 784 CB VAL A1118 9.574 14.907 -2.632 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.869 14.516 -1.197 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.675 15.801 -3.169 1.00 0.00 C ATOM 0 H VAL A1118 11.477 13.552 -3.810 1.00 0.00 H new ATOM 0 HA VAL A1118 8.744 12.961 -2.995 1.00 0.00 H new ATOM 0 HB VAL A1118 8.636 15.462 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.985 15.415 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.045 13.919 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.789 13.933 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.777 16.678 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.616 15.251 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.425 16.118 -4.181 1.00 0.00 H new ATOM 796 N PHE A1119 7.467 13.930 -4.930 1.00 0.00 N ATOM 797 CA PHE A1119 6.734 14.301 -6.128 1.00 0.00 C ATOM 798 C PHE A1119 5.434 15.004 -5.759 1.00 0.00 C ATOM 799 O PHE A1119 4.739 14.601 -4.822 1.00 0.00 O ATOM 800 CB PHE A1119 6.465 13.073 -7.016 1.00 0.00 C ATOM 801 CG PHE A1119 5.739 11.931 -6.347 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.424 11.025 -5.550 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.379 11.740 -6.544 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.768 9.960 -4.968 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.720 10.674 -5.953 1.00 0.00 C ATOM 806 CZ PHE A1119 4.422 9.784 -5.167 1.00 0.00 C ATOM 0 H PHE A1119 6.883 13.572 -4.174 1.00 0.00 H new ATOM 0 HA PHE A1119 7.348 14.995 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.884 13.393 -7.881 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.419 12.703 -7.392 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.483 11.155 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.828 12.430 -7.165 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.316 9.262 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.659 10.540 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.912 8.949 -4.709 1.00 0.00 H new ATOM 816 N PRO A1120 5.117 16.094 -6.473 1.00 0.00 N ATOM 817 CA PRO A1120 3.899 16.869 -6.235 1.00 0.00 C ATOM 818 C PRO A1120 2.642 16.063 -6.555 1.00 0.00 C ATOM 819 O PRO A1120 2.472 15.566 -7.671 1.00 0.00 O ATOM 820 CB PRO A1120 4.040 18.066 -7.184 1.00 0.00 C ATOM 821 CG PRO A1120 4.995 17.616 -8.238 1.00 0.00 C ATOM 822 CD PRO A1120 5.931 16.658 -7.563 1.00 0.00 C ATOM 0 HA PRO A1120 3.792 17.161 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.078 18.342 -7.616 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.417 18.943 -6.659 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.469 17.133 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.539 18.462 -8.659 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.276 15.884 -8.248 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.818 17.164 -7.181 1.00 0.00 H new ATOM 830 N VAL A1121 1.764 15.945 -5.565 1.00 0.00 N ATOM 831 CA VAL A1121 0.560 15.121 -5.678 1.00 0.00 C ATOM 832 C VAL A1121 -0.397 15.670 -6.740 1.00 0.00 C ATOM 833 O VAL A1121 -1.186 14.934 -7.334 1.00 0.00 O ATOM 834 CB VAL A1121 -0.175 15.041 -4.322 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.260 13.979 -4.340 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.809 14.772 -3.198 1.00 0.00 C ATOM 0 H VAL A1121 1.863 16.414 -4.665 1.00 0.00 H new ATOM 0 HA VAL A1121 0.879 14.123 -5.978 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.654 16.005 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.757 13.950 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -1.989 14.217 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.814 13.007 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.273 14.719 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.319 13.826 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.542 15.578 -3.156 1.00 0.00 H new ATOM 846 N SER A1122 -0.300 16.965 -6.996 1.00 0.00 N ATOM 847 CA SER A1122 -1.169 17.634 -7.951 1.00 0.00 C ATOM 848 C SER A1122 -0.872 17.195 -9.386 1.00 0.00 C ATOM 849 O SER A1122 -1.686 17.396 -10.287 1.00 0.00 O ATOM 850 CB SER A1122 -0.992 19.144 -7.802 1.00 0.00 C ATOM 851 OG SER A1122 0.384 19.471 -7.674 1.00 0.00 O ATOM 0 H SER A1122 0.381 17.580 -6.550 1.00 0.00 H new ATOM 0 HA SER A1122 -2.203 17.359 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.414 19.653 -8.668 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.539 19.496 -6.927 1.00 0.00 H new ATOM 0 HG SER A1122 0.482 20.442 -7.581 1.00 0.00 H new ATOM 857 N PHE A1123 0.286 16.578 -9.587 1.00 0.00 N ATOM 858 CA PHE A1123 0.723 16.183 -10.919 1.00 0.00 C ATOM 859 C PHE A1123 0.410 14.719 -11.209 1.00 0.00 C ATOM 860 O PHE A1123 0.732 14.214 -12.286 1.00 0.00 O ATOM 861 CB PHE A1123 2.230 16.420 -11.079 1.00 0.00 C ATOM 862 CG PHE A1123 2.608 17.860 -11.280 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.307 18.817 -10.326 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.263 18.254 -12.433 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.653 20.140 -10.518 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.612 19.573 -12.632 1.00 0.00 C ATOM 867 CZ PHE A1123 3.307 20.519 -11.673 1.00 0.00 C ATOM 0 H PHE A1123 0.941 16.340 -8.842 1.00 0.00 H new ATOM 0 HA PHE A1123 0.174 16.798 -11.632 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.742 16.041 -10.194 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.590 15.839 -11.928 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.795 18.525 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.504 17.519 -13.187 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.412 20.877 -9.766 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.123 19.866 -13.537 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.580 21.553 -11.826 1.00 0.00 H new ATOM 877 N VAL A1124 -0.219 14.030 -10.264 1.00 0.00 N ATOM 878 CA VAL A1124 -0.418 12.591 -10.402 1.00 0.00 C ATOM 879 C VAL A1124 -1.869 12.174 -10.162 1.00 0.00 C ATOM 880 O VAL A1124 -2.587 12.797 -9.381 1.00 0.00 O ATOM 881 CB VAL A1124 0.506 11.804 -9.448 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.966 12.083 -9.763 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.196 12.129 -7.994 1.00 0.00 C ATOM 0 H VAL A1124 -0.595 14.435 -9.407 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.164 12.349 -11.434 1.00 0.00 H new ATOM 0 HB VAL A1124 0.320 10.741 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.600 11.519 -9.079 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.181 11.783 -10.789 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.166 13.148 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.862 11.561 -7.344 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.342 13.195 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.838 11.864 -7.775 1.00 0.00 H new ATOM 893 N HIS A1125 -2.291 11.118 -10.853 1.00 0.00 N ATOM 894 CA HIS A1125 -3.622 10.553 -10.690 1.00 0.00 C ATOM 895 C HIS A1125 -3.515 9.272 -9.876 1.00 0.00 C ATOM 896 O HIS A1125 -2.819 8.342 -10.272 1.00 0.00 O ATOM 897 CB HIS A1125 -4.214 10.255 -12.067 1.00 0.00 C ATOM 898 CG HIS A1125 -5.623 10.714 -12.251 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.008 12.030 -12.138 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.735 10.029 -12.590 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.292 12.134 -12.404 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.763 10.933 -12.683 1.00 0.00 N ATOM 0 H HIS A1125 -1.717 10.632 -11.542 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.271 11.258 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.590 10.727 -12.826 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.170 9.180 -12.242 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.803 8.964 -12.757 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -7.865 13.049 -12.396 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.729 10.714 -12.927 1.00 0.00 H new ATOM 911 N ILE A1126 -4.197 9.219 -8.750 1.00 0.00 N ATOM 912 CA ILE A1126 -4.009 8.134 -7.796 1.00 0.00 C ATOM 913 C ILE A1126 -4.659 6.837 -8.261 1.00 0.00 C ATOM 914 O ILE A1126 -5.783 6.828 -8.766 1.00 0.00 O ATOM 915 CB ILE A1126 -4.550 8.527 -6.407 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.702 9.667 -5.840 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.576 7.332 -5.455 1.00 0.00 C ATOM 918 CD1 ILE A1126 -4.169 10.165 -4.498 1.00 0.00 C ATOM 0 H ILE A1126 -4.889 9.914 -8.469 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.936 7.958 -7.726 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.581 8.865 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.669 9.330 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.707 10.497 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.963 7.647 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -5.218 6.553 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.565 6.942 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.518 10.972 -4.163 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -5.191 10.535 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -4.137 9.349 -3.776 1.00 0.00 H new ATOM 930 N LEU A1127 -3.922 5.748 -8.094 1.00 0.00 N ATOM 931 CA LEU A1127 -4.413 4.419 -8.395 1.00 0.00 C ATOM 932 C LEU A1127 -4.791 3.749 -7.091 1.00 0.00 C ATOM 933 O LEU A1127 -3.942 3.556 -6.220 1.00 0.00 O ATOM 934 CB LEU A1127 -3.334 3.585 -9.091 1.00 0.00 C ATOM 935 CG LEU A1127 -2.386 4.373 -9.991 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.340 3.454 -10.599 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.159 5.094 -11.085 1.00 0.00 C ATOM 0 H LEU A1127 -2.964 5.766 -7.745 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.273 4.494 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.745 3.073 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -3.821 2.815 -9.689 1.00 0.00 H new ATOM 0 HG LEU A1127 -1.878 5.119 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -0.673 4.034 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -0.762 2.984 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -1.833 2.684 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.465 5.650 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -3.696 4.365 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -3.871 5.785 -10.633 1.00 0.00 H new ATOM 949 N SER A1128 -6.055 3.409 -6.942 1.00 0.00 N ATOM 950 CA SER A1128 -6.516 2.768 -5.726 1.00 0.00 C ATOM 951 C SER A1128 -6.407 1.252 -5.869 1.00 0.00 C ATOM 952 O SER A1128 -7.286 0.499 -5.440 1.00 0.00 O ATOM 953 CB SER A1128 -7.952 3.193 -5.433 1.00 0.00 C ATOM 954 OG SER A1128 -8.111 4.593 -5.606 1.00 0.00 O ATOM 0 H SER A1128 -6.779 3.565 -7.644 1.00 0.00 H new ATOM 0 HA SER A1128 -5.891 3.076 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A1128 -8.635 2.661 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.216 2.916 -4.412 1.00 0.00 H new ATOM 0 HG SER A1128 -9.039 4.843 -5.415 1.00 0.00 H new ATOM 960 N ASP A1129 -5.320 0.825 -6.495 1.00 0.00 N ATOM 961 CA ASP A1129 -5.067 -0.577 -6.770 1.00 0.00 C ATOM 962 C ASP A1129 -3.573 -0.790 -6.947 1.00 0.00 C ATOM 963 O ASP A1129 -2.928 0.067 -7.580 1.00 0.00 O ATOM 964 CB ASP A1129 -5.822 -1.042 -8.025 1.00 0.00 C ATOM 965 CG ASP A1129 -5.395 -0.314 -9.288 1.00 0.00 C ATOM 966 OD1 ASP A1129 -5.880 0.815 -9.525 1.00 0.00 O ATOM 967 OD2 ASP A1129 -4.597 -0.877 -10.065 1.00 0.00 O ATOM 968 OXT ASP A1129 -3.051 -1.805 -6.449 1.00 0.00 O ATOM 0 H ASP A1129 -4.585 1.449 -6.828 1.00 0.00 H new ATOM 0 HA ASP A1129 -5.426 -1.169 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -5.664 -2.112 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -6.891 -0.894 -7.873 1.00 0.00 H new TER 973 ASP A1129