USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 289 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: A1145 SER OG : rot 180:sc= 0.316 USER MOD Set 1.2: A1146 THR OG1 : rot 49:sc= 1.44 USER MOD Set 2.1: A1114 TYR OH : rot 114:sc= 0.192 USER MOD Set 2.2: A1142 ASN : amide:sc= 0.119 X(o=0.31,f=0.29) USER MOD Single : A1103 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1108 SER OG : rot 180:sc= 0.0575 USER MOD Single : A1112 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A1113 GLN :FLIP amide:sc= -0.926 F(o=-2.8!,f=-0.93) USER MOD Single : A1115 THR OG1 : rot 140:sc= 0.847 USER MOD Single : A1118 ASN : amide:sc= 0.0379 K(o=0.038,f=-5.7!) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1120 GLN : amide:sc= 0.0486 K(o=0.049,f=-3.9!) USER MOD Single : A1123 SER OG : rot 180:sc= 0.00462 USER MOD Single : A1124 LYS NZ :NH3+ -113:sc= 0.0023 (180deg=0) USER MOD Single : A1125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1130 THR OG1 : rot -4:sc= 1.16 USER MOD Single : A1132 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.4) USER MOD Single : A1138 SER OG : rot 57:sc= -1.87! USER MOD Single : A1141 LYS NZ :NH3+ 170:sc= -0.0267 (180deg=-0.176) USER MOD Single : A1144 ASN : amide:sc= 0.184 K(o=0.18,f=-4.3!) USER MOD Single : A1148 THR OG1 : rot 49:sc= 0.0751 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 18.803 0.283 14.881 1.00 12.23 N ATOM 2 CA THR A1103 19.526 0.890 13.748 1.00 11.73 C ATOM 3 C THR A1103 19.015 2.305 13.483 1.00 10.83 C ATOM 4 O THR A1103 17.892 2.650 13.852 1.00 10.67 O ATOM 5 CB THR A1103 19.375 0.034 12.465 1.00 11.83 C ATOM 6 OG1 THR A1103 20.137 0.601 11.392 1.00 12.26 O ATOM 7 CG2 THR A1103 17.917 -0.079 12.044 1.00 12.04 C ATOM 0 HA THR A1103 20.582 0.933 14.015 1.00 11.73 H new ATOM 0 HB THR A1103 19.751 -0.964 12.691 1.00 11.83 H new ATOM 0 HG1 THR A1103 20.033 0.048 10.589 1.00 12.26 H new ATOM 0 HG21 THR A1103 17.845 -0.685 11.141 1.00 12.04 H new ATOM 0 HG22 THR A1103 17.343 -0.548 12.843 1.00 12.04 H new ATOM 0 HG23 THR A1103 17.517 0.916 11.846 1.00 12.04 H new ATOM 17 N HIS A1104 19.859 3.127 12.871 1.00 10.41 N ATOM 18 CA HIS A1104 19.474 4.479 12.484 1.00 9.72 C ATOM 19 C HIS A1104 19.185 4.536 10.989 1.00 8.65 C ATOM 20 O HIS A1104 18.826 5.583 10.451 1.00 8.32 O ATOM 21 CB HIS A1104 20.573 5.485 12.831 1.00 10.05 C ATOM 22 CG HIS A1104 20.589 5.897 14.269 1.00 10.43 C ATOM 23 ND1 HIS A1104 20.382 7.194 14.682 1.00 10.71 N ATOM 24 CD2 HIS A1104 20.813 5.180 15.391 1.00 10.84 C ATOM 25 CE1 HIS A1104 20.480 7.257 15.995 1.00 11.25 C ATOM 26 NE2 HIS A1104 20.742 6.048 16.455 1.00 11.34 N ATOM 0 H HIS A1104 20.819 2.879 12.631 1.00 10.41 H new ATOM 0 HA HIS A1104 18.574 4.743 13.039 1.00 9.72 H new ATOM 0 HB2 HIS A1104 21.541 5.052 12.577 1.00 10.05 H new ATOM 0 HB3 HIS A1104 20.448 6.373 12.211 1.00 10.05 H new ATOM 0 HD2 HIS A1104 21.011 4.120 15.443 1.00 10.84 H new ATOM 0 HE1 HIS A1104 20.365 8.148 16.594 1.00 11.25 H new ATOM 0 HE2 HIS A1104 20.870 5.799 17.436 1.00 11.34 H new ATOM 35 N ALA A1105 19.364 3.405 10.323 1.00 8.30 N ATOM 36 CA ALA A1105 19.144 3.316 8.890 1.00 7.41 C ATOM 37 C ALA A1105 17.785 2.692 8.590 1.00 6.47 C ATOM 38 O ALA A1105 17.516 1.561 8.999 1.00 6.54 O ATOM 39 CB ALA A1105 20.254 2.504 8.244 1.00 7.70 C ATOM 0 H ALA A1105 19.663 2.532 10.757 1.00 8.30 H new ATOM 0 HA ALA A1105 19.154 4.323 8.474 1.00 7.41 H new ATOM 0 HB1 ALA A1105 20.081 2.442 7.170 1.00 7.70 H new ATOM 0 HB2 ALA A1105 21.213 2.987 8.430 1.00 7.70 H new ATOM 0 HB3 ALA A1105 20.264 1.500 8.668 1.00 7.70 H new ATOM 45 N PRO A1106 16.901 3.422 7.896 1.00 5.80 N ATOM 46 CA PRO A1106 15.593 2.906 7.505 1.00 4.97 C ATOM 47 C PRO A1106 15.691 1.926 6.339 1.00 4.25 C ATOM 48 O PRO A1106 16.570 2.047 5.484 1.00 4.22 O ATOM 49 CB PRO A1106 14.807 4.156 7.075 1.00 4.84 C ATOM 50 CG PRO A1106 15.682 5.326 7.387 1.00 5.55 C ATOM 51 CD PRO A1106 17.089 4.805 7.451 1.00 6.09 C ATOM 0 HA PRO A1106 15.121 2.356 8.319 1.00 4.97 H new ATOM 0 HB2 PRO A1106 14.570 4.120 6.012 1.00 4.84 H new ATOM 0 HB3 PRO A1106 13.860 4.224 7.611 1.00 4.84 H new ATOM 0 HG2 PRO A1106 15.588 6.095 6.620 1.00 5.55 H new ATOM 0 HG3 PRO A1106 15.395 5.783 8.334 1.00 5.55 H new ATOM 0 HD2 PRO A1106 17.583 4.854 6.481 1.00 6.09 H new ATOM 0 HD3 PRO A1106 17.701 5.376 8.150 1.00 6.09 H new ATOM 59 N ALA A1107 14.784 0.964 6.306 1.00 4.09 N ATOM 60 CA ALA A1107 14.727 -0.003 5.217 1.00 3.77 C ATOM 61 C ALA A1107 13.744 0.463 4.152 1.00 2.63 C ATOM 62 O ALA A1107 13.027 -0.337 3.550 1.00 2.62 O ATOM 63 CB ALA A1107 14.333 -1.373 5.747 1.00 4.73 C ATOM 0 H ALA A1107 14.072 0.830 7.024 1.00 4.09 H new ATOM 0 HA ALA A1107 15.716 -0.082 4.765 1.00 3.77 H new ATOM 0 HB1 ALA A1107 14.294 -2.085 4.922 1.00 4.73 H new ATOM 0 HB2 ALA A1107 15.069 -1.705 6.479 1.00 4.73 H new ATOM 0 HB3 ALA A1107 13.353 -1.312 6.220 1.00 4.73 H new ATOM 69 N SER A1108 13.728 1.766 3.928 1.00 2.16 N ATOM 70 CA SER A1108 12.807 2.383 2.993 1.00 1.43 C ATOM 71 C SER A1108 13.224 2.122 1.549 1.00 1.29 C ATOM 72 O SER A1108 14.412 1.970 1.243 1.00 1.97 O ATOM 73 CB SER A1108 12.743 3.880 3.275 1.00 2.09 C ATOM 74 OG SER A1108 14.039 4.410 3.502 1.00 2.97 O ATOM 0 H SER A1108 14.354 2.425 4.390 1.00 2.16 H new ATOM 0 HA SER A1108 11.819 1.943 3.126 1.00 1.43 H new ATOM 0 HB2 SER A1108 12.279 4.393 2.433 1.00 2.09 H new ATOM 0 HB3 SER A1108 12.114 4.063 4.146 1.00 2.09 H new ATOM 0 HG SER A1108 13.973 5.372 3.679 1.00 2.97 H new ATOM 80 N CYS A1109 12.234 2.059 0.676 1.00 0.72 N ATOM 81 CA CYS A1109 12.454 1.805 -0.738 1.00 0.49 C ATOM 82 C CYS A1109 12.735 3.100 -1.497 1.00 0.46 C ATOM 83 O CYS A1109 12.964 4.150 -0.890 1.00 0.62 O ATOM 84 CB CYS A1109 11.236 1.088 -1.319 1.00 0.33 C ATOM 85 SG CYS A1109 10.880 -0.512 -0.519 1.00 0.47 S ATOM 0 H CYS A1109 11.253 2.183 0.927 1.00 0.72 H new ATOM 0 HA CYS A1109 13.332 1.169 -0.848 1.00 0.49 H new ATOM 0 HB2 CYS A1109 10.364 1.735 -1.223 1.00 0.33 H new ATOM 0 HB3 CYS A1109 11.395 0.924 -2.385 1.00 0.33 H new ATOM 90 N LEU A1110 12.730 2.999 -2.821 1.00 0.34 N ATOM 91 CA LEU A1110 13.010 4.113 -3.717 1.00 0.32 C ATOM 92 C LEU A1110 12.153 5.333 -3.393 1.00 0.29 C ATOM 93 O LEU A1110 11.132 5.218 -2.717 1.00 0.30 O ATOM 94 CB LEU A1110 12.717 3.666 -5.145 1.00 0.28 C ATOM 95 CG LEU A1110 13.694 4.136 -6.220 1.00 0.38 C ATOM 96 CD1 LEU A1110 15.079 3.549 -5.988 1.00 0.52 C ATOM 97 CD2 LEU A1110 13.170 3.756 -7.596 1.00 0.39 C ATOM 0 H LEU A1110 12.528 2.127 -3.309 1.00 0.34 H new ATOM 0 HA LEU A1110 14.055 4.398 -3.596 1.00 0.32 H new ATOM 0 HB2 LEU A1110 12.689 2.577 -5.162 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.720 4.015 -5.414 1.00 0.28 H new ATOM 0 HG LEU A1110 13.780 5.221 -6.164 1.00 0.38 H new ATOM 0 HD11 LEU A1110 15.757 3.898 -6.767 1.00 0.52 H new ATOM 0 HD12 LEU A1110 15.450 3.867 -5.014 1.00 0.52 H new ATOM 0 HD13 LEU A1110 15.023 2.461 -6.017 1.00 0.52 H new ATOM 0 HD21 LEU A1110 13.872 4.094 -8.359 1.00 0.39 H new ATOM 0 HD22 LEU A1110 13.061 2.673 -7.658 1.00 0.39 H new ATOM 0 HD23 LEU A1110 12.201 4.228 -7.759 1.00 0.39 H new ATOM 109 N ASP A1111 12.546 6.491 -3.896 1.00 0.35 N ATOM 110 CA ASP A1111 11.782 7.712 -3.665 1.00 0.38 C ATOM 111 C ASP A1111 10.381 7.576 -4.250 1.00 0.32 C ATOM 112 O ASP A1111 9.397 7.997 -3.642 1.00 0.42 O ATOM 113 CB ASP A1111 12.496 8.924 -4.265 1.00 0.51 C ATOM 114 CG ASP A1111 13.839 9.180 -3.616 1.00 1.37 C ATOM 115 OD1 ASP A1111 13.873 9.805 -2.535 1.00 1.53 O ATOM 116 OD2 ASP A1111 14.869 8.769 -4.187 1.00 2.32 O ATOM 0 H ASP A1111 13.384 6.615 -4.464 1.00 0.35 H new ATOM 0 HA ASP A1111 11.700 7.866 -2.589 1.00 0.38 H new ATOM 0 HB2 ASP A1111 12.636 8.767 -5.335 1.00 0.51 H new ATOM 0 HB3 ASP A1111 11.866 9.806 -4.152 1.00 0.51 H new ATOM 121 N THR A1112 10.293 6.963 -5.422 1.00 0.28 N ATOM 122 CA THR A1112 9.010 6.714 -6.057 1.00 0.31 C ATOM 123 C THR A1112 8.496 5.311 -5.742 1.00 0.24 C ATOM 124 O THR A1112 7.508 4.857 -6.325 1.00 0.30 O ATOM 125 CB THR A1112 9.105 6.880 -7.582 1.00 0.42 C ATOM 126 OG1 THR A1112 10.210 6.119 -8.083 1.00 0.45 O ATOM 127 CG2 THR A1112 9.271 8.343 -7.961 1.00 0.52 C ATOM 0 H THR A1112 11.098 6.629 -5.952 1.00 0.28 H new ATOM 0 HA THR A1112 8.311 7.448 -5.656 1.00 0.31 H new ATOM 0 HB THR A1112 8.179 6.515 -8.026 1.00 0.42 H new ATOM 0 HG1 THR A1112 10.267 6.226 -9.056 1.00 0.45 H new ATOM 0 HG21 THR A1112 9.336 8.433 -9.045 1.00 0.52 H new ATOM 0 HG22 THR A1112 8.414 8.912 -7.600 1.00 0.52 H new ATOM 0 HG23 THR A1112 10.182 8.735 -7.509 1.00 0.52 H new ATOM 135 N GLN A1113 9.162 4.615 -4.828 1.00 0.18 N ATOM 136 CA GLN A1113 8.727 3.292 -4.446 1.00 0.17 C ATOM 137 C GLN A1113 8.184 3.258 -3.037 1.00 0.17 C ATOM 138 O GLN A1113 8.584 4.032 -2.168 1.00 0.23 O ATOM 139 CB GLN A1113 9.854 2.279 -4.605 1.00 0.17 C ATOM 140 CG GLN A1113 10.075 1.891 -6.053 1.00 0.23 C ATOM 141 CD GLN A1113 10.809 0.577 -6.239 1.00 0.35 C ATOM 142 OE1 GLN A1113 11.719 0.257 -5.336 1.00 1.02 O flip ATOM 143 NE2 GLN A1113 10.572 -0.140 -7.208 1.00 0.67 N flip ATOM 0 H GLN A1113 9.997 4.947 -4.346 1.00 0.18 H new ATOM 0 HA GLN A1113 7.914 3.019 -5.119 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.775 2.696 -4.198 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.623 1.387 -4.023 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.108 1.828 -6.552 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.638 2.682 -6.548 1.00 0.23 H new ATOM 0 HE21 GLN A1113 9.863 0.137 -7.886 1.00 0.67 H new ATOM 0 HE22 GLN A1113 11.085 -1.013 -7.334 1.00 0.67 H new ATOM 152 N TYR A1114 7.263 2.347 -2.841 1.00 0.15 N ATOM 153 CA TYR A1114 6.607 2.167 -1.565 1.00 0.16 C ATOM 154 C TYR A1114 7.255 1.018 -0.821 1.00 0.15 C ATOM 155 O TYR A1114 7.731 0.060 -1.433 1.00 0.15 O ATOM 156 CB TYR A1114 5.119 1.883 -1.770 1.00 0.18 C ATOM 157 CG TYR A1114 4.326 1.714 -0.492 1.00 0.22 C ATOM 158 CD1 TYR A1114 4.075 2.803 0.334 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.828 0.474 -0.112 1.00 0.21 C ATOM 160 CE1 TYR A1114 3.354 2.663 1.502 1.00 0.39 C ATOM 161 CE2 TYR A1114 3.105 0.325 1.056 1.00 0.26 C ATOM 162 CZ TYR A1114 2.869 1.384 1.853 1.00 0.34 C ATOM 163 OH TYR A1114 2.146 1.275 3.020 1.00 0.41 O ATOM 0 H TYR A1114 6.944 1.704 -3.566 1.00 0.15 H new ATOM 0 HA TYR A1114 6.709 3.081 -0.980 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.683 2.699 -2.347 1.00 0.18 H new ATOM 0 HB3 TYR A1114 5.015 0.978 -2.369 1.00 0.18 H new ATOM 0 HD1 TYR A1114 4.451 3.777 0.057 1.00 0.33 H new ATOM 0 HD2 TYR A1114 4.009 -0.387 -0.739 1.00 0.21 H new ATOM 0 HE1 TYR A1114 3.164 3.516 2.136 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.726 -0.648 1.332 1.00 0.26 H new ATOM 0 HH TYR A1114 1.221 1.031 2.810 1.00 0.41 H new ATOM 173 N THR A1115 7.265 1.124 0.485 1.00 0.18 N ATOM 174 CA THR A1115 7.840 0.102 1.331 1.00 0.20 C ATOM 175 C THR A1115 6.731 -0.628 2.068 1.00 0.23 C ATOM 176 O THR A1115 6.189 -0.124 3.055 1.00 0.31 O ATOM 177 CB THR A1115 8.823 0.705 2.347 1.00 0.26 C ATOM 178 OG1 THR A1115 9.644 1.693 1.704 1.00 0.30 O ATOM 179 CG2 THR A1115 9.705 -0.381 2.943 1.00 0.27 C ATOM 0 H THR A1115 6.876 1.919 0.993 1.00 0.18 H new ATOM 0 HA THR A1115 8.390 -0.595 0.699 1.00 0.20 H new ATOM 0 HB THR A1115 8.251 1.173 3.148 1.00 0.26 H new ATOM 0 HG1 THR A1115 9.767 2.457 2.305 1.00 0.30 H new ATOM 0 HG21 THR A1115 10.395 0.064 3.660 1.00 0.27 H new ATOM 0 HG22 THR A1115 9.082 -1.119 3.448 1.00 0.27 H new ATOM 0 HG23 THR A1115 10.271 -0.867 2.148 1.00 0.27 H new ATOM 187 N CYS A1116 6.371 -1.798 1.571 1.00 0.26 N ATOM 188 CA CYS A1116 5.290 -2.569 2.157 1.00 0.34 C ATOM 189 C CYS A1116 5.693 -3.184 3.491 1.00 0.40 C ATOM 190 O CYS A1116 6.857 -3.108 3.890 1.00 0.37 O ATOM 191 CB CYS A1116 4.833 -3.655 1.188 1.00 0.45 C ATOM 192 SG CYS A1116 3.973 -3.015 -0.281 1.00 0.65 S ATOM 0 H CYS A1116 6.812 -2.235 0.762 1.00 0.26 H new ATOM 0 HA CYS A1116 4.461 -1.887 2.347 1.00 0.34 H new ATOM 0 HB2 CYS A1116 5.701 -4.231 0.867 1.00 0.45 H new ATOM 0 HB3 CYS A1116 4.171 -4.343 1.714 1.00 0.45 H new ATOM 197 N ASP A1117 4.735 -3.794 4.175 1.00 0.56 N ATOM 198 CA ASP A1117 4.981 -4.393 5.483 1.00 0.69 C ATOM 199 C ASP A1117 6.076 -5.453 5.399 1.00 0.65 C ATOM 200 O ASP A1117 6.963 -5.518 6.250 1.00 0.71 O ATOM 201 CB ASP A1117 3.687 -5.001 6.023 1.00 0.93 C ATOM 202 CG ASP A1117 3.873 -5.714 7.345 1.00 1.83 C ATOM 203 OD1 ASP A1117 4.510 -5.144 8.254 1.00 2.62 O ATOM 204 OD2 ASP A1117 3.355 -6.841 7.489 1.00 2.09 O ATOM 0 H ASP A1117 3.774 -3.888 3.845 1.00 0.56 H new ATOM 0 HA ASP A1117 5.321 -3.614 6.166 1.00 0.69 H new ATOM 0 HB2 ASP A1117 2.945 -4.212 6.144 1.00 0.93 H new ATOM 0 HB3 ASP A1117 3.289 -5.704 5.291 1.00 0.93 H new ATOM 209 N ASN A1118 6.041 -6.243 4.336 1.00 0.69 N ATOM 210 CA ASN A1118 7.032 -7.293 4.123 1.00 0.75 C ATOM 211 C ASN A1118 8.295 -6.724 3.476 1.00 0.59 C ATOM 212 O ASN A1118 9.136 -7.467 2.963 1.00 0.65 O ATOM 213 CB ASN A1118 6.450 -8.415 3.254 1.00 0.98 C ATOM 214 CG ASN A1118 6.140 -7.972 1.834 1.00 1.77 C ATOM 215 OD1 ASN A1118 5.837 -6.803 1.579 1.00 2.75 O ATOM 216 ND2 ASN A1118 6.201 -8.909 0.903 1.00 2.02 N ATOM 0 H ASN A1118 5.334 -6.178 3.603 1.00 0.69 H new ATOM 0 HA ASN A1118 7.300 -7.708 5.095 1.00 0.75 H new ATOM 0 HB2 ASN A1118 7.156 -9.245 3.223 1.00 0.98 H new ATOM 0 HB3 ASN A1118 5.538 -8.789 3.718 1.00 0.98 H new ATOM 0 HD21 ASN A1118 5.993 -8.677 -0.068 1.00 2.02 H new ATOM 0 HD22 ASN A1118 6.456 -9.864 1.156 1.00 2.02 H new ATOM 223 N HIS A1119 8.407 -5.395 3.504 1.00 0.46 N ATOM 224 CA HIS A1119 9.566 -4.676 2.972 1.00 0.41 C ATOM 225 C HIS A1119 9.712 -4.872 1.469 1.00 0.44 C ATOM 226 O HIS A1119 10.804 -4.722 0.921 1.00 0.79 O ATOM 227 CB HIS A1119 10.856 -5.090 3.688 1.00 0.51 C ATOM 228 CG HIS A1119 10.913 -4.645 5.115 1.00 0.63 C ATOM 229 ND1 HIS A1119 10.924 -5.518 6.180 1.00 0.94 N ATOM 230 CD2 HIS A1119 10.968 -3.405 5.651 1.00 0.78 C ATOM 231 CE1 HIS A1119 10.981 -4.837 7.305 1.00 1.05 C ATOM 232 NE2 HIS A1119 11.010 -3.552 7.013 1.00 0.93 N ATOM 0 H HIS A1119 7.692 -4.784 3.899 1.00 0.46 H new ATOM 0 HA HIS A1119 9.392 -3.616 3.158 1.00 0.41 H new ATOM 0 HB2 HIS A1119 10.952 -6.175 3.650 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.710 -4.675 3.152 1.00 0.51 H new ATOM 0 HD2 HIS A1119 10.977 -2.472 5.107 1.00 0.78 H new ATOM 0 HE1 HIS A1119 11.001 -5.259 8.299 1.00 1.05 H new ATOM 0 HE2 HIS A1119 11.056 -2.791 7.690 1.00 0.93 H new ATOM 241 N GLN A1120 8.617 -5.209 0.804 1.00 0.40 N ATOM 242 CA GLN A1120 8.628 -5.318 -0.644 1.00 0.38 C ATOM 243 C GLN A1120 8.607 -3.927 -1.257 1.00 0.29 C ATOM 244 O GLN A1120 7.847 -3.060 -0.819 1.00 0.39 O ATOM 245 CB GLN A1120 7.438 -6.142 -1.141 1.00 0.49 C ATOM 246 CG GLN A1120 7.436 -6.363 -2.647 1.00 0.50 C ATOM 247 CD GLN A1120 8.703 -7.039 -3.135 1.00 1.05 C ATOM 248 OE1 GLN A1120 9.680 -6.377 -3.487 1.00 1.91 O ATOM 249 NE2 GLN A1120 8.694 -8.360 -3.157 1.00 1.51 N ATOM 0 H GLN A1120 7.717 -5.410 1.241 1.00 0.40 H new ATOM 0 HA GLN A1120 9.539 -5.833 -0.951 1.00 0.38 H new ATOM 0 HB2 GLN A1120 7.443 -7.110 -0.640 1.00 0.49 H new ATOM 0 HB3 GLN A1120 6.514 -5.640 -0.855 1.00 0.49 H new ATOM 0 HG2 GLN A1120 6.574 -6.972 -2.921 1.00 0.50 H new ATOM 0 HG3 GLN A1120 7.322 -5.404 -3.152 1.00 0.50 H new ATOM 0 HE21 GLN A1120 7.863 -8.869 -2.857 1.00 1.51 H new ATOM 0 HE22 GLN A1120 9.518 -8.870 -3.474 1.00 1.51 H new ATOM 258 N CYS A1121 9.453 -3.716 -2.249 1.00 0.21 N ATOM 259 CA CYS A1121 9.569 -2.419 -2.885 1.00 0.21 C ATOM 260 C CYS A1121 8.816 -2.396 -4.206 1.00 0.20 C ATOM 261 O CYS A1121 9.269 -2.959 -5.204 1.00 0.34 O ATOM 262 CB CYS A1121 11.039 -2.069 -3.110 1.00 0.34 C ATOM 263 SG CYS A1121 11.988 -1.845 -1.572 1.00 0.42 S ATOM 0 H CYS A1121 10.072 -4.431 -2.632 1.00 0.21 H new ATOM 0 HA CYS A1121 9.126 -1.674 -2.224 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.504 -2.858 -3.701 1.00 0.34 H new ATOM 0 HB3 CYS A1121 11.098 -1.154 -3.699 1.00 0.34 H new ATOM 268 N ILE A1122 7.656 -1.761 -4.196 1.00 0.15 N ATOM 269 CA ILE A1122 6.855 -1.603 -5.398 1.00 0.14 C ATOM 270 C ILE A1122 6.737 -0.131 -5.751 1.00 0.14 C ATOM 271 O ILE A1122 7.057 0.731 -4.940 1.00 0.18 O ATOM 272 CB ILE A1122 5.436 -2.176 -5.222 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.705 -1.430 -4.107 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.494 -3.669 -4.928 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.285 -1.892 -3.899 1.00 0.17 C ATOM 0 H ILE A1122 7.245 -1.343 -3.361 1.00 0.15 H new ATOM 0 HA ILE A1122 7.358 -2.152 -6.194 1.00 0.14 H new ATOM 0 HB ILE A1122 4.883 -2.038 -6.151 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.258 -1.554 -3.176 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.701 -0.364 -4.337 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.482 -4.056 -4.807 1.00 0.19 H new ATOM 0 HG22 ILE A1122 5.983 -4.184 -5.755 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.059 -3.838 -4.011 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.830 -1.318 -3.092 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.716 -1.743 -4.816 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.281 -2.950 -3.638 1.00 0.17 H new ATOM 287 N SER A1123 6.286 0.153 -6.954 1.00 0.16 N ATOM 288 CA SER A1123 6.018 1.520 -7.361 1.00 0.17 C ATOM 289 C SER A1123 4.800 2.030 -6.608 1.00 0.15 C ATOM 290 O SER A1123 3.828 1.297 -6.416 1.00 0.17 O ATOM 291 CB SER A1123 5.774 1.584 -8.874 1.00 0.24 C ATOM 292 OG SER A1123 5.435 2.899 -9.296 1.00 0.33 O ATOM 0 H SER A1123 6.096 -0.546 -7.672 1.00 0.16 H new ATOM 0 HA SER A1123 6.879 2.147 -7.127 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.668 1.252 -9.401 1.00 0.24 H new ATOM 0 HB3 SER A1123 4.971 0.897 -9.143 1.00 0.24 H new ATOM 0 HG SER A1123 5.288 2.904 -10.265 1.00 0.33 H new ATOM 298 N LYS A1124 4.852 3.288 -6.180 1.00 0.17 N ATOM 299 CA LYS A1124 3.751 3.884 -5.432 1.00 0.19 C ATOM 300 C LYS A1124 2.493 3.955 -6.293 1.00 0.22 C ATOM 301 O LYS A1124 1.391 4.159 -5.786 1.00 0.25 O ATOM 302 CB LYS A1124 4.119 5.284 -4.939 1.00 0.23 C ATOM 303 CG LYS A1124 5.399 5.336 -4.122 1.00 0.25 C ATOM 304 CD LYS A1124 5.543 6.678 -3.426 1.00 0.25 C ATOM 305 CE LYS A1124 6.715 6.690 -2.460 1.00 0.30 C ATOM 306 NZ LYS A1124 6.832 7.988 -1.745 1.00 1.24 N ATOM 0 H LYS A1124 5.643 3.913 -6.338 1.00 0.17 H new ATOM 0 HA LYS A1124 3.555 3.250 -4.567 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.222 5.945 -5.799 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.299 5.672 -4.335 1.00 0.23 H new ATOM 0 HG2 LYS A1124 5.395 4.536 -3.381 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.257 5.165 -4.772 1.00 0.25 H new ATOM 0 HD2 LYS A1124 5.679 7.461 -4.172 1.00 0.25 H new ATOM 0 HD3 LYS A1124 4.625 6.908 -2.886 1.00 0.25 H new ATOM 0 HE2 LYS A1124 6.595 5.886 -1.734 1.00 0.30 H new ATOM 0 HE3 LYS A1124 7.637 6.492 -3.006 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 7.702 8.472 -2.045 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 6.010 8.584 -1.970 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 6.866 7.818 -0.720 1.00 1.24 H new ATOM 320 N ASN A1125 2.674 3.783 -7.597 1.00 0.24 N ATOM 321 CA ASN A1125 1.564 3.763 -8.540 1.00 0.28 C ATOM 322 C ASN A1125 0.772 2.462 -8.412 1.00 0.26 C ATOM 323 O ASN A1125 -0.392 2.390 -8.800 1.00 0.32 O ATOM 324 CB ASN A1125 2.095 3.922 -9.968 1.00 0.36 C ATOM 325 CG ASN A1125 1.012 4.282 -10.966 1.00 1.03 C ATOM 326 OD1 ASN A1125 0.697 5.460 -11.152 1.00 1.75 O ATOM 327 ND2 ASN A1125 0.452 3.285 -11.632 1.00 1.69 N ATOM 0 H ASN A1125 3.589 3.654 -8.028 1.00 0.24 H new ATOM 0 HA ASN A1125 0.896 4.593 -8.312 1.00 0.28 H new ATOM 0 HB2 ASN A1125 2.864 4.695 -9.980 1.00 0.36 H new ATOM 0 HB3 ASN A1125 2.572 2.992 -10.278 1.00 0.36 H new ATOM 0 HD21 ASN A1125 -0.268 3.478 -12.328 1.00 1.69 H new ATOM 0 HD22 ASN A1125 0.740 2.324 -11.449 1.00 1.69 H new ATOM 334 N TRP A1126 1.410 1.436 -7.851 1.00 0.22 N ATOM 335 CA TRP A1126 0.767 0.137 -7.665 1.00 0.22 C ATOM 336 C TRP A1126 -0.011 0.115 -6.359 1.00 0.20 C ATOM 337 O TRP A1126 -0.856 -0.747 -6.141 1.00 0.26 O ATOM 338 CB TRP A1126 1.802 -0.993 -7.644 1.00 0.25 C ATOM 339 CG TRP A1126 2.629 -1.108 -8.890 1.00 0.31 C ATOM 340 CD1 TRP A1126 2.548 -0.334 -10.012 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.667 -2.063 -9.137 1.00 0.38 C ATOM 342 NE1 TRP A1126 3.472 -0.748 -10.937 1.00 0.45 N ATOM 343 CE2 TRP A1126 4.171 -1.807 -10.425 1.00 0.45 C ATOM 344 CE3 TRP A1126 4.218 -3.109 -8.393 1.00 0.44 C ATOM 345 CZ2 TRP A1126 5.202 -2.557 -10.985 1.00 0.54 C ATOM 346 CZ3 TRP A1126 5.241 -3.854 -8.950 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.724 -3.575 -10.235 1.00 0.58 C ATOM 0 H TRP A1126 2.373 1.480 -7.517 1.00 0.22 H new ATOM 0 HA TRP A1126 0.088 -0.017 -8.504 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.468 -0.842 -6.795 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.285 -1.938 -7.479 1.00 0.25 H new ATOM 0 HD1 TRP A1126 1.857 0.485 -10.151 1.00 0.37 H new ATOM 0 HE1 TRP A1126 3.615 -0.333 -11.858 1.00 0.45 H new ATOM 0 HE3 TRP A1126 3.852 -3.332 -7.402 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 5.576 -2.343 -11.975 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 5.675 -4.665 -8.384 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.524 -4.175 -10.642 1.00 0.58 H new ATOM 358 N VAL A1127 0.296 1.057 -5.488 1.00 0.19 N ATOM 359 CA VAL A1127 -0.358 1.146 -4.192 1.00 0.18 C ATOM 360 C VAL A1127 -1.828 1.494 -4.357 1.00 0.19 C ATOM 361 O VAL A1127 -2.169 2.554 -4.885 1.00 0.23 O ATOM 362 CB VAL A1127 0.331 2.195 -3.295 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.378 2.328 -1.954 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.793 1.837 -3.092 1.00 0.24 C ATOM 0 H VAL A1127 0.999 1.777 -5.654 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.276 0.171 -3.711 1.00 0.18 H new ATOM 0 HB VAL A1127 0.272 3.160 -3.799 1.00 0.21 H new ATOM 0 HG11 VAL A1127 0.132 3.075 -1.345 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.411 2.637 -2.117 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.364 1.368 -1.438 1.00 0.24 H new ATOM 0 HG21 VAL A1127 2.266 2.586 -2.457 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.865 0.859 -2.616 1.00 0.24 H new ATOM 0 HG23 VAL A1127 2.298 1.808 -4.058 1.00 0.24 H new ATOM 374 N CYS A1128 -2.684 0.578 -3.919 1.00 0.19 N ATOM 375 CA CYS A1128 -4.129 0.733 -4.039 1.00 0.26 C ATOM 376 C CYS A1128 -4.534 0.773 -5.510 1.00 0.27 C ATOM 377 O CYS A1128 -5.126 1.740 -5.996 1.00 0.37 O ATOM 378 CB CYS A1128 -4.616 1.982 -3.300 1.00 0.32 C ATOM 379 SG CYS A1128 -6.427 2.197 -3.315 1.00 0.58 S ATOM 0 H CYS A1128 -2.396 -0.292 -3.471 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.606 -0.129 -3.572 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -4.275 1.935 -2.266 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.153 2.861 -3.749 1.00 0.32 H new ATOM 384 N ASP A1129 -4.174 -0.279 -6.223 1.00 0.25 N ATOM 385 CA ASP A1129 -4.569 -0.435 -7.619 1.00 0.30 C ATOM 386 C ASP A1129 -5.473 -1.656 -7.761 1.00 0.37 C ATOM 387 O ASP A1129 -5.562 -2.263 -8.826 1.00 0.41 O ATOM 388 CB ASP A1129 -3.341 -0.560 -8.532 1.00 0.31 C ATOM 389 CG ASP A1129 -2.695 -1.930 -8.482 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.595 -2.511 -7.381 1.00 0.31 O ATOM 391 OD2 ASP A1129 -2.275 -2.428 -9.544 1.00 0.46 O ATOM 0 H ASP A1129 -3.606 -1.044 -5.859 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.118 0.455 -7.928 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.636 -0.342 -9.558 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.606 0.192 -8.245 1.00 0.31 H new ATOM 396 N THR A1130 -6.113 -2.009 -6.645 1.00 0.45 N ATOM 397 CA THR A1130 -7.087 -3.103 -6.553 1.00 0.56 C ATOM 398 C THR A1130 -6.450 -4.474 -6.794 1.00 0.61 C ATOM 399 O THR A1130 -7.150 -5.466 -7.013 1.00 0.73 O ATOM 400 CB THR A1130 -8.321 -2.904 -7.478 1.00 0.59 C ATOM 401 OG1 THR A1130 -7.978 -3.012 -8.867 1.00 0.56 O ATOM 402 CG2 THR A1130 -8.954 -1.548 -7.224 1.00 0.65 C ATOM 0 H THR A1130 -5.966 -1.531 -5.756 1.00 0.45 H new ATOM 0 HA THR A1130 -7.448 -3.075 -5.525 1.00 0.56 H new ATOM 0 HB THR A1130 -9.029 -3.698 -7.241 1.00 0.59 H new ATOM 0 HG1 THR A1130 -7.009 -3.124 -8.957 1.00 0.56 H new ATOM 0 HG21 THR A1130 -9.817 -1.421 -7.878 1.00 0.65 H new ATOM 0 HG22 THR A1130 -9.274 -1.485 -6.184 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.226 -0.763 -7.427 1.00 0.65 H new ATOM 410 N ASP A1131 -5.123 -4.526 -6.743 1.00 0.59 N ATOM 411 CA ASP A1131 -4.402 -5.786 -6.848 1.00 0.69 C ATOM 412 C ASP A1131 -3.306 -5.861 -5.794 1.00 0.67 C ATOM 413 O ASP A1131 -2.562 -4.901 -5.588 1.00 0.53 O ATOM 414 CB ASP A1131 -3.794 -5.942 -8.241 1.00 0.75 C ATOM 415 CG ASP A1131 -3.164 -7.309 -8.446 1.00 0.92 C ATOM 416 OD1 ASP A1131 -3.841 -8.329 -8.208 1.00 1.21 O ATOM 417 OD2 ASP A1131 -1.986 -7.370 -8.856 1.00 0.92 O ATOM 0 H ASP A1131 -4.525 -3.707 -6.629 1.00 0.59 H new ATOM 0 HA ASP A1131 -5.110 -6.598 -6.681 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -4.568 -5.785 -8.992 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -3.040 -5.170 -8.394 1.00 0.75 H new ATOM 422 N ASN A1132 -3.224 -6.993 -5.117 1.00 0.94 N ATOM 423 CA ASN A1132 -2.217 -7.201 -4.086 1.00 1.00 C ATOM 424 C ASN A1132 -0.854 -7.450 -4.719 1.00 0.91 C ATOM 425 O ASN A1132 -0.622 -8.503 -5.310 1.00 1.06 O ATOM 426 CB ASN A1132 -2.607 -8.385 -3.197 1.00 1.29 C ATOM 427 CG ASN A1132 -3.887 -8.138 -2.422 1.00 1.72 C ATOM 428 OD1 ASN A1132 -4.195 -7.006 -2.052 1.00 2.58 O ATOM 429 ND2 ASN A1132 -4.645 -9.194 -2.175 1.00 2.07 N ATOM 0 H ASN A1132 -3.846 -7.788 -5.263 1.00 0.94 H new ATOM 0 HA ASN A1132 -2.159 -6.303 -3.472 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -2.727 -9.274 -3.816 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -1.797 -8.591 -2.497 1.00 1.29 H new ATOM 0 HD21 ASN A1132 -5.519 -9.085 -1.661 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -4.355 -10.117 -2.499 1.00 2.07 H new ATOM 436 N ASP A1133 0.044 -6.479 -4.605 1.00 0.86 N ATOM 437 CA ASP A1133 1.362 -6.601 -5.219 1.00 0.77 C ATOM 438 C ASP A1133 2.368 -7.145 -4.225 1.00 0.78 C ATOM 439 O ASP A1133 3.154 -8.036 -4.544 1.00 1.28 O ATOM 440 CB ASP A1133 1.849 -5.260 -5.775 1.00 0.67 C ATOM 441 CG ASP A1133 0.994 -4.771 -6.920 1.00 0.58 C ATOM 442 OD1 ASP A1133 1.171 -5.268 -8.051 1.00 1.09 O ATOM 443 OD2 ASP A1133 0.136 -3.892 -6.690 1.00 1.00 O ATOM 0 H ASP A1133 -0.113 -5.607 -4.099 1.00 0.86 H new ATOM 0 HA ASP A1133 1.270 -7.300 -6.050 1.00 0.77 H new ATOM 0 HB2 ASP A1133 1.846 -4.516 -4.978 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.881 -5.362 -6.112 1.00 0.67 H new ATOM 448 N CYS A1134 2.331 -6.617 -3.016 1.00 0.76 N ATOM 449 CA CYS A1134 3.245 -7.046 -1.971 1.00 0.78 C ATOM 450 C CYS A1134 2.727 -8.290 -1.265 1.00 0.85 C ATOM 451 O CYS A1134 2.439 -8.257 -0.066 1.00 1.57 O ATOM 452 CB CYS A1134 3.453 -5.920 -0.966 1.00 0.82 C ATOM 453 SG CYS A1134 4.272 -4.456 -1.672 1.00 1.16 S ATOM 0 H CYS A1134 1.676 -5.888 -2.732 1.00 0.76 H new ATOM 0 HA CYS A1134 4.200 -7.294 -2.435 1.00 0.78 H new ATOM 0 HB2 CYS A1134 2.486 -5.624 -0.559 1.00 0.82 H new ATOM 0 HB3 CYS A1134 4.049 -6.293 -0.133 1.00 0.82 H new ATOM 458 N GLY A1135 2.598 -9.376 -2.021 1.00 1.17 N ATOM 459 CA GLY A1135 2.153 -10.637 -1.463 1.00 1.22 C ATOM 460 C GLY A1135 0.743 -10.564 -0.924 1.00 1.18 C ATOM 461 O GLY A1135 -0.223 -10.761 -1.659 1.00 1.68 O ATOM 0 H GLY A1135 2.797 -9.403 -3.021 1.00 1.17 H new ATOM 0 HA2 GLY A1135 2.206 -11.409 -2.230 1.00 1.22 H new ATOM 0 HA3 GLY A1135 2.830 -10.936 -0.663 1.00 1.22 H new ATOM 465 N ASP A1136 0.629 -10.269 0.363 1.00 1.02 N ATOM 466 CA ASP A1136 -0.665 -10.131 1.010 1.00 1.11 C ATOM 467 C ASP A1136 -1.367 -8.868 0.537 1.00 0.93 C ATOM 468 O ASP A1136 -2.592 -8.770 0.577 1.00 1.35 O ATOM 469 CB ASP A1136 -0.511 -10.108 2.527 1.00 1.44 C ATOM 470 CG ASP A1136 -0.003 -11.424 3.079 1.00 2.10 C ATOM 471 OD1 ASP A1136 1.227 -11.657 3.042 1.00 2.85 O ATOM 472 OD2 ASP A1136 -0.826 -12.236 3.543 1.00 2.47 O ATOM 0 H ASP A1136 1.425 -10.120 0.983 1.00 1.02 H new ATOM 0 HA ASP A1136 -1.273 -10.993 0.736 1.00 1.11 H new ATOM 0 HB2 ASP A1136 0.177 -9.310 2.807 1.00 1.44 H new ATOM 0 HB3 ASP A1136 -1.473 -9.874 2.983 1.00 1.44 H new ATOM 477 N GLY A1137 -0.576 -7.902 0.081 1.00 0.62 N ATOM 478 CA GLY A1137 -1.138 -6.688 -0.471 1.00 0.49 C ATOM 479 C GLY A1137 -1.286 -5.593 0.559 1.00 0.36 C ATOM 480 O GLY A1137 -2.324 -4.941 0.636 1.00 0.36 O ATOM 0 H GLY A1137 0.443 -7.940 0.085 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -0.502 -6.334 -1.282 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -2.114 -6.908 -0.904 1.00 0.49 H new ATOM 484 N SER A1138 -0.239 -5.379 1.345 1.00 0.32 N ATOM 485 CA SER A1138 -0.245 -4.326 2.350 1.00 0.28 C ATOM 486 C SER A1138 -0.390 -2.954 1.698 1.00 0.25 C ATOM 487 O SER A1138 -0.810 -1.996 2.334 1.00 0.40 O ATOM 488 CB SER A1138 1.041 -4.388 3.177 1.00 0.33 C ATOM 489 OG SER A1138 2.179 -4.473 2.339 1.00 0.44 O ATOM 0 H SER A1138 0.624 -5.921 1.306 1.00 0.32 H new ATOM 0 HA SER A1138 -1.100 -4.480 3.008 1.00 0.28 H new ATOM 0 HB2 SER A1138 1.115 -3.502 3.808 1.00 0.33 H new ATOM 0 HB3 SER A1138 1.009 -5.251 3.842 1.00 0.33 H new ATOM 0 HG SER A1138 2.192 -3.708 1.726 1.00 0.44 H new ATOM 495 N ASP A1139 -0.065 -2.881 0.415 1.00 0.18 N ATOM 496 CA ASP A1139 -0.153 -1.636 -0.335 1.00 0.18 C ATOM 497 C ASP A1139 -1.609 -1.269 -0.607 1.00 0.20 C ATOM 498 O ASP A1139 -1.928 -0.131 -0.940 1.00 0.29 O ATOM 499 CB ASP A1139 0.609 -1.768 -1.654 1.00 0.19 C ATOM 500 CG ASP A1139 0.009 -2.806 -2.584 1.00 0.26 C ATOM 501 OD1 ASP A1139 0.154 -4.023 -2.316 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.610 -2.409 -3.591 1.00 0.32 O ATOM 0 H ASP A1139 0.265 -3.676 -0.132 1.00 0.18 H new ATOM 0 HA ASP A1139 0.295 -0.841 0.261 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.623 -0.801 -2.158 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.645 -2.032 -1.444 1.00 0.19 H new ATOM 507 N GLU A1140 -2.493 -2.243 -0.463 1.00 0.22 N ATOM 508 CA GLU A1140 -3.915 -2.014 -0.656 1.00 0.27 C ATOM 509 C GLU A1140 -4.597 -1.724 0.681 1.00 0.31 C ATOM 510 O GLU A1140 -5.620 -1.040 0.736 1.00 0.44 O ATOM 511 CB GLU A1140 -4.562 -3.243 -1.299 1.00 0.29 C ATOM 512 CG GLU A1140 -3.972 -3.633 -2.647 1.00 0.29 C ATOM 513 CD GLU A1140 -4.243 -2.611 -3.731 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.400 -2.169 -3.863 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.295 -2.248 -4.464 1.00 0.28 O ATOM 0 H GLU A1140 -2.250 -3.201 -0.213 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.038 -1.152 -1.312 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -4.466 -4.087 -0.616 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.628 -3.053 -1.424 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.895 -3.765 -2.541 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -4.383 -4.595 -2.952 1.00 0.29 H new ATOM 522 N LYS A1141 -4.009 -2.232 1.763 1.00 0.30 N ATOM 523 CA LYS A1141 -4.636 -2.164 3.083 1.00 0.37 C ATOM 524 C LYS A1141 -4.621 -0.743 3.641 1.00 0.49 C ATOM 525 O LYS A1141 -5.434 -0.393 4.495 1.00 0.57 O ATOM 526 CB LYS A1141 -3.933 -3.106 4.068 1.00 0.47 C ATOM 527 CG LYS A1141 -2.622 -2.568 4.626 1.00 0.57 C ATOM 528 CD LYS A1141 -2.050 -3.483 5.693 1.00 0.76 C ATOM 529 CE LYS A1141 -0.708 -2.978 6.197 1.00 0.91 C ATOM 530 NZ LYS A1141 -0.798 -1.614 6.787 1.00 1.55 N ATOM 0 H LYS A1141 -3.100 -2.695 1.752 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.673 -2.476 2.961 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -4.609 -3.315 4.898 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -3.739 -4.055 3.569 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -1.900 -2.457 3.817 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -2.785 -1.576 5.046 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -2.749 -3.554 6.526 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -1.933 -4.488 5.288 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -0.321 -3.669 6.945 1.00 0.91 H new ATOM 0 HE3 LYS A1141 0.006 -2.968 5.373 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 0.096 -1.383 7.265 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -0.976 -0.921 6.033 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -1.577 -1.584 7.476 1.00 1.55 H new ATOM 544 N ASN A1142 -3.693 0.067 3.161 1.00 0.60 N ATOM 545 CA ASN A1142 -3.540 1.426 3.667 1.00 0.81 C ATOM 546 C ASN A1142 -4.242 2.436 2.766 1.00 0.91 C ATOM 547 O ASN A1142 -3.995 3.640 2.853 1.00 1.44 O ATOM 548 CB ASN A1142 -2.055 1.782 3.811 1.00 1.07 C ATOM 549 CG ASN A1142 -1.309 1.778 2.490 1.00 1.37 C ATOM 550 OD1 ASN A1142 -0.785 0.752 2.067 1.00 2.05 O ATOM 551 ND2 ASN A1142 -1.243 2.925 1.836 1.00 1.92 N ATOM 0 H ASN A1142 -3.035 -0.188 2.425 1.00 0.60 H new ATOM 0 HA ASN A1142 -4.009 1.470 4.650 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -1.967 2.768 4.268 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -1.582 1.073 4.490 1.00 1.07 H new ATOM 0 HD21 ASN A1142 -0.744 2.978 0.948 1.00 1.92 H new ATOM 0 HD22 ASN A1142 -1.691 3.757 2.219 1.00 1.92 H new ATOM 558 N CYS A1143 -5.127 1.949 1.912 1.00 0.76 N ATOM 559 CA CYS A1143 -5.859 2.822 1.011 1.00 0.99 C ATOM 560 C CYS A1143 -7.139 3.311 1.677 1.00 1.29 C ATOM 561 O CYS A1143 -8.192 2.678 1.574 1.00 1.67 O ATOM 562 CB CYS A1143 -6.186 2.101 -0.294 1.00 0.93 C ATOM 563 SG CYS A1143 -6.822 3.204 -1.598 1.00 1.10 S ATOM 0 H CYS A1143 -5.355 0.959 1.824 1.00 0.76 H new ATOM 0 HA CYS A1143 -5.230 3.682 0.780 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -5.288 1.602 -0.658 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -6.924 1.324 -0.095 1.00 0.93 H new ATOM 568 N ASN A1144 -7.038 4.434 2.373 1.00 1.87 N ATOM 569 CA ASN A1144 -8.179 5.010 3.075 1.00 2.36 C ATOM 570 C ASN A1144 -9.015 5.870 2.136 1.00 3.05 C ATOM 571 O ASN A1144 -10.172 6.186 2.425 1.00 3.73 O ATOM 572 CB ASN A1144 -7.711 5.850 4.272 1.00 3.11 C ATOM 573 CG ASN A1144 -6.888 7.065 3.866 1.00 3.87 C ATOM 574 OD1 ASN A1144 -6.152 7.040 2.877 1.00 4.27 O ATOM 575 ND2 ASN A1144 -7.012 8.139 4.628 1.00 4.59 N ATOM 0 H ASN A1144 -6.174 4.968 2.468 1.00 1.87 H new ATOM 0 HA ASN A1144 -8.796 4.189 3.440 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -8.582 6.181 4.838 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -7.118 5.223 4.938 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -6.488 8.986 4.405 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -7.631 8.121 5.438 1.00 4.59 H new ATOM 582 N SER A1145 -8.419 6.251 1.016 1.00 3.53 N ATOM 583 CA SER A1145 -9.095 7.065 0.024 1.00 4.69 C ATOM 584 C SER A1145 -10.055 6.221 -0.803 1.00 5.23 C ATOM 585 O SER A1145 -11.255 6.167 -0.525 1.00 5.32 O ATOM 586 CB SER A1145 -8.055 7.743 -0.872 1.00 5.40 C ATOM 587 OG SER A1145 -7.039 6.825 -1.251 1.00 5.26 O ATOM 0 H SER A1145 -7.459 6.005 0.773 1.00 3.53 H new ATOM 0 HA SER A1145 -9.682 7.832 0.530 1.00 4.69 H new ATOM 0 HB2 SER A1145 -8.541 8.142 -1.762 1.00 5.40 H new ATOM 0 HB3 SER A1145 -7.610 8.587 -0.346 1.00 5.40 H new ATOM 0 HG SER A1145 -6.386 7.278 -1.824 1.00 5.26 H new ATOM 593 N THR A1146 -9.517 5.547 -1.801 1.00 5.97 N ATOM 594 CA THR A1146 -10.316 4.733 -2.692 1.00 6.81 C ATOM 595 C THR A1146 -10.406 3.293 -2.195 1.00 7.34 C ATOM 596 O THR A1146 -9.790 2.390 -2.761 1.00 8.15 O ATOM 597 CB THR A1146 -9.737 4.772 -4.116 1.00 7.69 C ATOM 598 OG1 THR A1146 -8.332 4.481 -4.081 1.00 7.92 O ATOM 599 CG2 THR A1146 -9.961 6.142 -4.739 1.00 7.74 C ATOM 0 H THR A1146 -8.520 5.549 -2.015 1.00 5.97 H new ATOM 0 HA THR A1146 -11.325 5.146 -2.710 1.00 6.81 H new ATOM 0 HB THR A1146 -10.246 4.021 -4.720 1.00 7.69 H new ATOM 0 HG1 THR A1146 -8.178 3.677 -3.542 1.00 7.92 H new ATOM 0 HG21 THR A1146 -9.546 6.156 -5.747 1.00 7.74 H new ATOM 0 HG22 THR A1146 -11.030 6.351 -4.784 1.00 7.74 H new ATOM 0 HG23 THR A1146 -9.468 6.902 -4.133 1.00 7.74 H new ATOM 607 N GLU A1147 -11.173 3.089 -1.131 1.00 7.13 N ATOM 608 CA GLU A1147 -11.351 1.756 -0.568 1.00 7.94 C ATOM 609 C GLU A1147 -12.293 0.933 -1.442 1.00 8.95 C ATOM 610 O GLU A1147 -12.349 -0.295 -1.336 1.00 9.87 O ATOM 611 CB GLU A1147 -11.876 1.838 0.870 1.00 7.79 C ATOM 612 CG GLU A1147 -13.147 2.657 1.020 1.00 7.90 C ATOM 613 CD GLU A1147 -13.643 2.699 2.449 1.00 8.00 C ATOM 614 OE1 GLU A1147 -13.081 3.464 3.258 1.00 8.08 O ATOM 615 OE2 GLU A1147 -14.600 1.966 2.774 1.00 8.23 O ATOM 0 H GLU A1147 -11.680 3.827 -0.642 1.00 7.13 H new ATOM 0 HA GLU A1147 -10.381 1.260 -0.544 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -12.062 0.828 1.236 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -11.102 2.269 1.504 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -12.964 3.674 0.672 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -13.924 2.237 0.381 1.00 7.90 H new ATOM 622 N THR A1148 -13.031 1.622 -2.305 1.00 8.94 N ATOM 623 CA THR A1148 -13.881 0.966 -3.279 1.00 10.03 C ATOM 624 C THR A1148 -13.037 0.408 -4.422 1.00 10.71 C ATOM 625 O THR A1148 -12.655 1.133 -5.343 1.00 11.12 O ATOM 626 CB THR A1148 -14.946 1.936 -3.832 1.00 10.21 C ATOM 627 OG1 THR A1148 -14.367 3.234 -4.048 1.00 9.58 O ATOM 628 CG2 THR A1148 -16.124 2.055 -2.876 1.00 11.01 C ATOM 0 H THR A1148 -13.054 2.641 -2.346 1.00 8.94 H new ATOM 0 HA THR A1148 -14.396 0.145 -2.780 1.00 10.03 H new ATOM 0 HB THR A1148 -15.307 1.537 -4.780 1.00 10.21 H new ATOM 0 HG1 THR A1148 -13.533 3.140 -4.555 1.00 9.58 H new ATOM 0 HG21 THR A1148 -16.860 2.744 -3.290 1.00 11.01 H new ATOM 0 HG22 THR A1148 -16.582 1.075 -2.739 1.00 11.01 H new ATOM 0 HG23 THR A1148 -15.775 2.431 -1.914 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.455 -2.879 -5.542 1.00 0.28 CA