USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 435 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 : A1054 SER OG : rot 29:sc=0.000492 USER MOD Single : A1055 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : A1060 TYR OH : rot 180:sc= 0 USER MOD Single : A1062 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1063 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.7!) USER MOD Single : A1064 MET CE :methyl 178:sc= -3.02 (180deg=-3.09) USER MOD Single : A1066 TYR OH : rot 30:sc= -0.207 USER MOD Single : A1068 TYR OH : rot 180:sc= 0 USER MOD Single : A1071 SER OG : rot -14:sc= 0.599 USER MOD Single : A1087 TYR OH : rot 103:sc= 0.242 USER MOD Single : A1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1093 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1095 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.36) USER MOD Single : A1097 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : A1099 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A1054 -10.808 -7.104 6.608 1.00 75.31 N ATOM 2 CA SER A1054 -10.336 -5.949 7.362 1.00 20.40 C ATOM 3 C SER A1054 -8.903 -6.160 7.841 1.00 33.54 C ATOM 4 O SER A1054 -8.635 -6.184 9.042 1.00 14.20 O ATOM 5 CB SER A1054 -11.252 -5.686 8.559 1.00 32.34 C ATOM 6 OG SER A1054 -12.519 -5.211 8.138 1.00 34.21 O ATOM 0 HA SER A1054 -10.355 -5.083 6.701 1.00 20.40 H new ATOM 0 HB2 SER A1054 -11.377 -6.604 9.134 1.00 32.34 H new ATOM 0 HB3 SER A1054 -10.788 -4.955 9.222 1.00 32.34 H new ATOM 0 HG SER A1054 -12.720 -5.563 7.246 1.00 34.21 H new ATOM 12 N ASN A1055 -7.986 -6.315 6.892 1.00 42.01 N ATOM 13 CA ASN A1055 -6.579 -6.526 7.215 1.00 22.10 C ATOM 14 C ASN A1055 -5.677 -5.849 6.187 1.00 35.42 C ATOM 15 O ASN A1055 -6.125 -5.479 5.103 1.00 12.22 O ATOM 16 CB ASN A1055 -6.268 -8.022 7.278 1.00 22.21 C ATOM 17 CG ASN A1055 -5.026 -8.320 8.096 1.00 24.23 C ATOM 18 OD1 ASN A1055 -3.958 -8.590 7.548 1.00 23.40 O ATOM 19 ND2 ASN A1055 -5.163 -8.274 9.416 1.00 63.10 N ATOM 0 H ASN A1055 -8.191 -6.299 5.893 1.00 42.01 H new ATOM 0 HA ASN A1055 -6.385 -6.080 8.191 1.00 22.10 H new ATOM 0 HB2 ASN A1055 -7.119 -8.549 7.709 1.00 22.21 H new ATOM 0 HB3 ASN A1055 -6.134 -8.406 6.267 1.00 22.21 H new ATOM 0 HD21 ASN A1055 -4.363 -8.467 10.019 1.00 63.10 H new ATOM 0 HD22 ASN A1055 -6.068 -8.046 9.827 1.00 63.10 H new ATOM 26 N ALA A1056 -4.405 -5.694 6.536 1.00 61.33 N ATOM 27 CA ALA A1056 -3.439 -5.066 5.643 1.00 44.12 C ATOM 28 C ALA A1056 -3.293 -5.857 4.348 1.00 22.34 C ATOM 29 O ALA A1056 -3.987 -6.852 4.136 1.00 51.22 O ATOM 30 CB ALA A1056 -2.091 -4.929 6.335 1.00 22.20 C ATOM 0 H ALA A1056 -4.019 -5.995 7.431 1.00 61.33 H new ATOM 0 HA ALA A1056 -3.808 -4.072 5.391 1.00 44.12 H new ATOM 0 HB1 ALA A1056 -1.380 -4.459 5.656 1.00 22.20 H new ATOM 0 HB2 ALA A1056 -2.201 -4.314 7.228 1.00 22.20 H new ATOM 0 HB3 ALA A1056 -1.725 -5.916 6.617 1.00 22.20 H new ATOM 36 N ASP A1057 -2.386 -5.410 3.486 1.00 0.42 N ATOM 37 CA ASP A1057 -2.149 -6.077 2.211 1.00 33.21 C ATOM 38 C ASP A1057 -0.947 -7.011 2.303 1.00 72.15 C ATOM 39 O ASP A1057 -0.390 -7.425 1.286 1.00 41.24 O ATOM 40 CB ASP A1057 -1.926 -5.046 1.105 1.00 41.54 C ATOM 41 CG ASP A1057 -3.225 -4.465 0.583 1.00 14.54 C ATOM 42 OD1 ASP A1057 -4.279 -5.113 0.761 1.00 73.35 O ATOM 43 OD2 ASP A1057 -3.190 -3.362 -0.001 1.00 61.12 O ATOM 0 H ASP A1057 -1.803 -4.589 3.647 1.00 0.42 H new ATOM 0 HA ASP A1057 -3.031 -6.671 1.970 1.00 33.21 H new ATOM 0 HB2 ASP A1057 -1.298 -4.240 1.485 1.00 41.54 H new ATOM 0 HB3 ASP A1057 -1.384 -5.512 0.282 1.00 41.54 H new ATOM 48 N VAL A1058 -0.551 -7.340 3.528 1.00 41.10 N ATOM 49 CA VAL A1058 0.585 -8.226 3.753 1.00 4.31 C ATOM 50 C VAL A1058 1.810 -7.757 2.976 1.00 43.54 C ATOM 51 O VAL A1058 2.306 -8.458 2.095 1.00 65.25 O ATOM 52 CB VAL A1058 0.257 -9.674 3.346 1.00 3.24 C ATOM 53 CG1 VAL A1058 1.368 -10.617 3.783 1.00 4.01 C ATOM 54 CG2 VAL A1058 -1.079 -10.103 3.934 1.00 64.34 C ATOM 0 H VAL A1058 -1.000 -7.006 4.381 1.00 41.10 H new ATOM 0 HA VAL A1058 0.802 -8.197 4.821 1.00 4.31 H new ATOM 0 HB VAL A1058 0.181 -9.719 2.260 1.00 3.24 H new ATOM 0 HG11 VAL A1058 1.118 -11.636 3.487 1.00 4.01 H new ATOM 0 HG12 VAL A1058 2.304 -10.321 3.310 1.00 4.01 H new ATOM 0 HG13 VAL A1058 1.479 -10.571 4.866 1.00 4.01 H new ATOM 0 HG21 VAL A1058 -1.295 -11.129 3.636 1.00 64.34 H new ATOM 0 HG22 VAL A1058 -1.034 -10.043 5.021 1.00 64.34 H new ATOM 0 HG23 VAL A1058 -1.866 -9.445 3.566 1.00 64.34 H new ATOM 64 N VAL A1059 2.294 -6.564 3.309 1.00 51.32 N ATOM 65 CA VAL A1059 3.463 -5.999 2.644 1.00 34.41 C ATOM 66 C VAL A1059 4.736 -6.726 3.062 1.00 75.12 C ATOM 67 O VAL A1059 5.614 -6.985 2.238 1.00 35.32 O ATOM 68 CB VAL A1059 3.615 -4.499 2.954 1.00 73.02 C ATOM 69 CG1 VAL A1059 4.734 -3.892 2.120 1.00 24.41 C ATOM 70 CG2 VAL A1059 2.303 -3.769 2.710 1.00 41.12 C ATOM 0 H VAL A1059 1.894 -5.970 4.036 1.00 51.32 H new ATOM 0 HA VAL A1059 3.311 -6.126 1.572 1.00 34.41 H new ATOM 0 HB VAL A1059 3.876 -4.388 4.006 1.00 73.02 H new ATOM 0 HG11 VAL A1059 4.827 -2.831 2.353 1.00 24.41 H new ATOM 0 HG12 VAL A1059 5.673 -4.397 2.348 1.00 24.41 H new ATOM 0 HG13 VAL A1059 4.505 -4.013 1.061 1.00 24.41 H new ATOM 0 HG21 VAL A1059 2.429 -2.710 2.934 1.00 41.12 H new ATOM 0 HG22 VAL A1059 2.010 -3.887 1.667 1.00 41.12 H new ATOM 0 HG23 VAL A1059 1.529 -4.187 3.354 1.00 41.12 H new ATOM 80 N TYR A1060 4.830 -7.052 4.345 1.00 44.05 N ATOM 81 CA TYR A1060 5.999 -7.747 4.874 1.00 11.22 C ATOM 82 C TYR A1060 5.606 -9.093 5.475 1.00 54.12 C ATOM 83 O TYR A1060 4.429 -9.355 5.719 1.00 32.43 O ATOM 84 CB TYR A1060 6.695 -6.887 5.930 1.00 12.33 C ATOM 85 CG TYR A1060 6.900 -5.452 5.503 1.00 64.24 C ATOM 86 CD1 TYR A1060 5.900 -4.504 5.680 1.00 41.32 C ATOM 87 CD2 TYR A1060 8.096 -5.043 4.925 1.00 44.50 C ATOM 88 CE1 TYR A1060 6.084 -3.190 5.290 1.00 22.45 C ATOM 89 CE2 TYR A1060 8.289 -3.732 4.535 1.00 54.12 C ATOM 90 CZ TYR A1060 7.280 -2.809 4.718 1.00 35.13 C ATOM 91 OH TYR A1060 7.467 -1.503 4.330 1.00 2.42 O ATOM 0 H TYR A1060 4.111 -6.847 5.039 1.00 44.05 H new ATOM 0 HA TYR A1060 6.689 -7.926 4.049 1.00 11.22 H new ATOM 0 HB2 TYR A1060 6.105 -6.904 6.846 1.00 12.33 H new ATOM 0 HB3 TYR A1060 7.663 -7.329 6.166 1.00 12.33 H new ATOM 0 HD1 TYR A1060 4.963 -4.798 6.130 1.00 41.32 H new ATOM 0 HD2 TYR A1060 8.888 -5.762 4.778 1.00 44.50 H new ATOM 0 HE1 TYR A1060 5.295 -2.466 5.433 1.00 22.45 H new ATOM 0 HE2 TYR A1060 9.225 -3.431 4.089 1.00 54.12 H new ATOM 0 HH TYR A1060 8.363 -1.401 3.947 1.00 2.42 H new ATOM 101 N GLU A1061 6.601 -9.942 5.711 1.00 53.14 N ATOM 102 CA GLU A1061 6.360 -11.261 6.283 1.00 64.21 C ATOM 103 C GLU A1061 6.551 -11.241 7.797 1.00 50.52 C ATOM 104 O GLU A1061 6.712 -12.285 8.428 1.00 43.42 O ATOM 105 CB GLU A1061 7.299 -12.293 5.654 1.00 12.32 C ATOM 106 CG GLU A1061 8.693 -12.295 6.256 1.00 32.13 C ATOM 107 CD GLU A1061 9.669 -13.145 5.465 1.00 11.43 C ATOM 108 OE1 GLU A1061 9.509 -13.238 4.230 1.00 71.10 O ATOM 109 OE2 GLU A1061 10.593 -13.715 6.082 1.00 24.23 O ATOM 0 H GLU A1061 7.581 -9.740 5.515 1.00 53.14 H new ATOM 0 HA GLU A1061 5.328 -11.539 6.068 1.00 64.21 H new ATOM 0 HB2 GLU A1061 6.862 -13.285 5.767 1.00 12.32 H new ATOM 0 HB3 GLU A1061 7.375 -12.098 4.584 1.00 12.32 H new ATOM 0 HG2 GLU A1061 9.065 -11.272 6.305 1.00 32.13 H new ATOM 0 HG3 GLU A1061 8.642 -12.665 7.280 1.00 32.13 H new ATOM 116 N LYS A1062 6.531 -10.043 8.373 1.00 63.45 N ATOM 117 CA LYS A1062 6.701 -9.884 9.813 1.00 50.33 C ATOM 118 C LYS A1062 5.402 -10.190 10.550 1.00 24.20 C ATOM 119 O LYS A1062 5.346 -10.124 11.779 1.00 73.13 O ATOM 120 CB LYS A1062 7.162 -8.461 10.138 1.00 4.22 C ATOM 121 CG LYS A1062 6.208 -7.386 9.649 1.00 43.50 C ATOM 122 CD LYS A1062 5.287 -6.910 10.760 1.00 52.13 C ATOM 123 CE LYS A1062 5.910 -5.769 11.550 1.00 73.01 C ATOM 124 NZ LYS A1062 4.935 -5.144 12.486 1.00 73.34 N ATOM 0 H LYS A1062 6.399 -9.169 7.865 1.00 63.45 H new ATOM 0 HA LYS A1062 7.462 -10.591 10.145 1.00 50.33 H new ATOM 0 HB2 LYS A1062 7.282 -8.365 11.217 1.00 4.22 H new ATOM 0 HB3 LYS A1062 8.143 -8.295 9.692 1.00 4.22 H new ATOM 0 HG2 LYS A1062 6.778 -6.542 9.261 1.00 43.50 H new ATOM 0 HG3 LYS A1062 5.612 -7.775 8.823 1.00 43.50 H new ATOM 0 HD2 LYS A1062 4.339 -6.583 10.333 1.00 52.13 H new ATOM 0 HD3 LYS A1062 5.065 -7.740 11.431 1.00 52.13 H new ATOM 0 HE2 LYS A1062 6.766 -6.142 12.113 1.00 73.01 H new ATOM 0 HE3 LYS A1062 6.287 -5.013 10.861 1.00 73.01 H new ATOM 0 HZ1 LYS A1062 5.399 -4.371 13.005 1.00 73.34 H new ATOM 0 HZ2 LYS A1062 4.130 -4.765 11.947 1.00 73.34 H new ATOM 0 HZ3 LYS A1062 4.594 -5.859 13.160 1.00 73.34 H new ATOM 138 N GLN A1063 4.362 -10.524 9.795 1.00 13.32 N ATOM 139 CA GLN A1063 3.064 -10.841 10.379 1.00 35.11 C ATOM 140 C GLN A1063 3.134 -12.126 11.197 1.00 41.11 C ATOM 141 O GLN A1063 2.203 -12.456 11.932 1.00 70.34 O ATOM 142 CB GLN A1063 2.007 -10.979 9.281 1.00 14.11 C ATOM 143 CG GLN A1063 2.065 -9.874 8.238 1.00 23.10 C ATOM 144 CD GLN A1063 0.708 -9.570 7.635 1.00 43.54 C ATOM 145 OE1 GLN A1063 0.021 -10.462 7.138 1.00 24.31 O ATOM 146 NE2 GLN A1063 0.315 -8.302 7.675 1.00 13.42 N ATOM 0 H GLN A1063 4.392 -10.582 8.777 1.00 13.32 H new ATOM 0 HA GLN A1063 2.784 -10.024 11.043 1.00 35.11 H new ATOM 0 HB2 GLN A1063 2.133 -11.942 8.786 1.00 14.11 H new ATOM 0 HB3 GLN A1063 1.018 -10.983 9.739 1.00 14.11 H new ATOM 0 HG2 GLN A1063 2.467 -8.969 8.694 1.00 23.10 H new ATOM 0 HG3 GLN A1063 2.754 -10.164 7.445 1.00 23.10 H new ATOM 0 HE21 GLN A1063 0.917 -7.595 8.097 1.00 13.42 H new ATOM 0 HE22 GLN A1063 -0.589 -8.036 7.284 1.00 13.42 H new ATOM 155 N MET A1064 4.243 -12.845 11.065 1.00 32.14 N ATOM 156 CA MET A1064 4.435 -14.095 11.794 1.00 2.53 C ATOM 157 C MET A1064 3.299 -15.071 11.506 1.00 32.32 C ATOM 158 O MET A1064 2.999 -15.948 12.319 1.00 41.23 O ATOM 159 CB MET A1064 4.521 -13.824 13.297 1.00 2.31 C ATOM 160 CG MET A1064 5.668 -12.906 13.684 1.00 44.45 C ATOM 161 SD MET A1064 7.280 -13.576 13.230 1.00 34.01 S ATOM 162 CE MET A1064 7.542 -12.784 11.645 1.00 32.52 C ATOM 0 H MET A1064 5.023 -12.585 10.461 1.00 32.14 H new ATOM 0 HA MET A1064 5.370 -14.544 11.458 1.00 2.53 H new ATOM 0 HB2 MET A1064 3.583 -13.381 13.632 1.00 2.31 H new ATOM 0 HB3 MET A1064 4.632 -14.772 13.823 1.00 2.31 H new ATOM 0 HG2 MET A1064 5.532 -11.938 13.201 1.00 44.45 H new ATOM 0 HG3 MET A1064 5.641 -12.732 14.760 1.00 44.45 H new ATOM 0 HE1 MET A1064 8.517 -13.072 11.251 1.00 32.52 H new ATOM 0 HE2 MET A1064 6.763 -13.096 10.949 1.00 32.52 H new ATOM 0 HE3 MET A1064 7.505 -11.702 11.769 1.00 32.52 H new ATOM 172 N LEU A1065 2.671 -14.916 10.347 1.00 74.04 N ATOM 173 CA LEU A1065 1.568 -15.785 9.951 1.00 23.42 C ATOM 174 C LEU A1065 2.081 -17.007 9.196 1.00 10.13 C ATOM 175 O LEU A1065 1.544 -18.106 9.336 1.00 53.23 O ATOM 176 CB LEU A1065 0.572 -15.015 9.082 1.00 73.42 C ATOM 177 CG LEU A1065 -0.690 -14.518 9.787 1.00 73.31 C ATOM 178 CD1 LEU A1065 -0.591 -13.028 10.072 1.00 44.20 C ATOM 179 CD2 LEU A1065 -1.924 -14.821 8.948 1.00 20.25 C ATOM 0 H LEU A1065 2.906 -14.196 9.664 1.00 74.04 H new ATOM 0 HA LEU A1065 1.064 -16.125 10.856 1.00 23.42 H new ATOM 0 HB2 LEU A1065 1.085 -14.156 8.651 1.00 73.42 H new ATOM 0 HB3 LEU A1065 0.272 -15.656 8.253 1.00 73.42 H new ATOM 0 HG LEU A1065 -0.783 -15.043 10.737 1.00 73.31 H new ATOM 0 HD11 LEU A1065 -1.498 -12.693 10.574 1.00 44.20 H new ATOM 0 HD12 LEU A1065 0.270 -12.836 10.712 1.00 44.20 H new ATOM 0 HD13 LEU A1065 -0.473 -12.485 9.134 1.00 44.20 H new ATOM 0 HD21 LEU A1065 -2.813 -14.460 9.465 1.00 20.25 H new ATOM 0 HD22 LEU A1065 -1.839 -14.323 7.982 1.00 20.25 H new ATOM 0 HD23 LEU A1065 -2.005 -15.897 8.795 1.00 20.25 H new ATOM 191 N TYR A1066 3.123 -16.808 8.398 1.00 63.43 N ATOM 192 CA TYR A1066 3.710 -17.893 7.621 1.00 35.24 C ATOM 193 C TYR A1066 4.030 -19.091 8.511 1.00 43.44 C ATOM 194 O TYR A1066 4.041 -20.235 8.055 1.00 55.41 O ATOM 195 CB TYR A1066 4.980 -17.416 6.914 1.00 54.21 C ATOM 196 CG TYR A1066 6.127 -17.132 7.857 1.00 11.30 C ATOM 197 CD1 TYR A1066 6.197 -15.932 8.555 1.00 22.11 C ATOM 198 CD2 TYR A1066 7.141 -18.062 8.049 1.00 13.41 C ATOM 199 CE1 TYR A1066 7.244 -15.669 9.417 1.00 2.42 C ATOM 200 CE2 TYR A1066 8.191 -17.807 8.910 1.00 12.44 C ATOM 201 CZ TYR A1066 8.238 -16.608 9.592 1.00 74.43 C ATOM 202 OH TYR A1066 9.282 -16.350 10.449 1.00 62.11 O ATOM 0 H TYR A1066 3.579 -15.905 8.272 1.00 63.43 H new ATOM 0 HA TYR A1066 2.981 -18.203 6.873 1.00 35.24 H new ATOM 0 HB2 TYR A1066 5.291 -18.173 6.194 1.00 54.21 H new ATOM 0 HB3 TYR A1066 4.753 -16.512 6.348 1.00 54.21 H new ATOM 0 HD1 TYR A1066 5.420 -15.193 8.421 1.00 22.11 H new ATOM 0 HD2 TYR A1066 7.108 -19.001 7.516 1.00 13.41 H new ATOM 0 HE1 TYR A1066 7.284 -14.731 9.952 1.00 2.42 H new ATOM 0 HE2 TYR A1066 8.970 -18.542 9.049 1.00 12.44 H new ATOM 0 HH TYR A1066 8.976 -15.761 11.170 1.00 62.11 H new ATOM 212 N LEU A1067 4.290 -18.818 9.786 1.00 75.11 N ATOM 213 CA LEU A1067 4.609 -19.871 10.742 1.00 23.31 C ATOM 214 C LEU A1067 3.356 -20.642 11.144 1.00 4.41 C ATOM 215 O LEU A1067 3.383 -21.865 11.280 1.00 20.21 O ATOM 216 CB LEU A1067 5.275 -19.275 11.984 1.00 22.11 C ATOM 217 CG LEU A1067 6.428 -18.304 11.726 1.00 61.42 C ATOM 218 CD1 LEU A1067 6.372 -17.138 12.702 1.00 53.35 C ATOM 219 CD2 LEU A1067 7.764 -19.024 11.829 1.00 25.32 C ATOM 0 H LEU A1067 4.286 -17.877 10.180 1.00 75.11 H new ATOM 0 HA LEU A1067 5.301 -20.564 10.263 1.00 23.31 H new ATOM 0 HB2 LEU A1067 4.513 -18.757 12.567 1.00 22.11 H new ATOM 0 HB3 LEU A1067 5.647 -20.093 12.601 1.00 22.11 H new ATOM 0 HG LEU A1067 6.327 -17.910 10.715 1.00 61.42 H new ATOM 0 HD11 LEU A1067 7.200 -16.457 12.504 1.00 53.35 H new ATOM 0 HD12 LEU A1067 5.428 -16.607 12.580 1.00 53.35 H new ATOM 0 HD13 LEU A1067 6.448 -17.514 13.722 1.00 53.35 H new ATOM 0 HD21 LEU A1067 8.573 -18.318 11.643 1.00 25.32 H new ATOM 0 HD22 LEU A1067 7.874 -19.446 12.828 1.00 25.32 H new ATOM 0 HD23 LEU A1067 7.804 -19.825 11.090 1.00 25.32 H new ATOM 231 N TYR A1068 2.258 -19.917 11.331 1.00 31.53 N ATOM 232 CA TYR A1068 0.994 -20.532 11.717 1.00 34.22 C ATOM 233 C TYR A1068 0.444 -21.403 10.591 1.00 62.11 C ATOM 234 O TYR A1068 -0.079 -22.491 10.829 1.00 20.24 O ATOM 235 CB TYR A1068 -0.028 -19.457 12.090 1.00 13.04 C ATOM 236 CG TYR A1068 -1.441 -19.792 11.668 1.00 52.34 C ATOM 237 CD1 TYR A1068 -2.119 -20.867 12.228 1.00 21.30 C ATOM 238 CD2 TYR A1068 -2.098 -19.031 10.708 1.00 2.43 C ATOM 239 CE1 TYR A1068 -3.409 -21.176 11.844 1.00 12.13 C ATOM 240 CE2 TYR A1068 -3.390 -19.331 10.319 1.00 25.41 C ATOM 241 CZ TYR A1068 -4.040 -20.406 10.890 1.00 10.41 C ATOM 242 OH TYR A1068 -5.327 -20.710 10.506 1.00 71.33 O ATOM 0 H TYR A1068 2.218 -18.904 11.221 1.00 31.53 H new ATOM 0 HA TYR A1068 1.179 -21.165 12.585 1.00 34.22 H new ATOM 0 HB2 TYR A1068 -0.006 -19.306 13.169 1.00 13.04 H new ATOM 0 HB3 TYR A1068 0.266 -18.513 11.630 1.00 13.04 H new ATOM 0 HD1 TYR A1068 -1.629 -21.472 12.977 1.00 21.30 H new ATOM 0 HD2 TYR A1068 -1.590 -18.191 10.258 1.00 2.43 H new ATOM 0 HE1 TYR A1068 -3.921 -22.017 12.289 1.00 12.13 H new ATOM 0 HE2 TYR A1068 -3.887 -18.728 9.573 1.00 25.41 H new ATOM 0 HH TYR A1068 -5.625 -20.070 9.827 1.00 71.33 H new ATOM 252 N VAL A1069 0.568 -20.915 9.360 1.00 63.21 N ATOM 253 CA VAL A1069 0.087 -21.647 8.195 1.00 73.41 C ATOM 254 C VAL A1069 0.945 -22.878 7.926 1.00 24.31 C ATOM 255 O VAL A1069 0.449 -23.907 7.464 1.00 51.42 O ATOM 256 CB VAL A1069 0.077 -20.758 6.938 1.00 61.21 C ATOM 257 CG1 VAL A1069 1.485 -20.286 6.607 1.00 42.23 C ATOM 258 CG2 VAL A1069 -0.534 -21.505 5.762 1.00 41.12 C ATOM 0 H VAL A1069 0.998 -20.015 9.145 1.00 63.21 H new ATOM 0 HA VAL A1069 -0.933 -21.960 8.418 1.00 73.41 H new ATOM 0 HB VAL A1069 -0.537 -19.880 7.140 1.00 61.21 H new ATOM 0 HG11 VAL A1069 1.458 -19.659 5.716 1.00 42.23 H new ATOM 0 HG12 VAL A1069 1.882 -19.711 7.444 1.00 42.23 H new ATOM 0 HG13 VAL A1069 2.125 -21.149 6.424 1.00 42.23 H new ATOM 0 HG21 VAL A1069 -0.533 -20.862 4.882 1.00 41.12 H new ATOM 0 HG22 VAL A1069 0.051 -22.401 5.557 1.00 41.12 H new ATOM 0 HG23 VAL A1069 -1.559 -21.788 6.003 1.00 41.12 H new ATOM 268 N LEU A1070 2.236 -22.769 8.220 1.00 2.44 N ATOM 269 CA LEU A1070 3.165 -23.874 8.011 1.00 45.42 C ATOM 270 C LEU A1070 2.974 -24.953 9.071 1.00 31.25 C ATOM 271 O LEU A1070 3.089 -26.146 8.785 1.00 54.42 O ATOM 272 CB LEU A1070 4.607 -23.365 8.041 1.00 71.33 C ATOM 273 CG LEU A1070 5.646 -24.254 7.355 1.00 45.33 C ATOM 274 CD1 LEU A1070 5.395 -24.310 5.857 1.00 72.32 C ATOM 275 CD2 LEU A1070 7.053 -23.750 7.644 1.00 62.00 C ATOM 0 H LEU A1070 2.663 -21.926 8.604 1.00 2.44 H new ATOM 0 HA LEU A1070 2.959 -24.310 7.033 1.00 45.42 H new ATOM 0 HB2 LEU A1070 4.634 -22.381 7.573 1.00 71.33 H new ATOM 0 HB3 LEU A1070 4.903 -23.231 9.082 1.00 71.33 H new ATOM 0 HG LEU A1070 5.554 -25.264 7.756 1.00 45.33 H new ATOM 0 HD11 LEU A1070 6.144 -24.947 5.386 1.00 72.32 H new ATOM 0 HD12 LEU A1070 4.402 -24.718 5.670 1.00 72.32 H new ATOM 0 HD13 LEU A1070 5.459 -23.305 5.440 1.00 72.32 H new ATOM 0 HD21 LEU A1070 7.779 -24.394 7.148 1.00 62.00 H new ATOM 0 HD22 LEU A1070 7.158 -22.731 7.272 1.00 62.00 H new ATOM 0 HD23 LEU A1070 7.231 -23.763 8.719 1.00 62.00 H new ATOM 287 N SER A1071 2.677 -24.529 10.295 1.00 42.00 N ATOM 288 CA SER A1071 2.471 -25.460 11.399 1.00 73.03 C ATOM 289 C SER A1071 1.141 -26.192 11.250 1.00 14.52 C ATOM 290 O SER A1071 0.988 -27.325 11.703 1.00 31.12 O ATOM 291 CB SER A1071 2.511 -24.717 12.735 1.00 43.21 C ATOM 292 OG SER A1071 1.508 -23.718 12.794 1.00 50.53 O ATOM 0 H SER A1071 2.574 -23.546 10.548 1.00 42.00 H new ATOM 0 HA SER A1071 3.275 -26.195 11.377 1.00 73.03 H new ATOM 0 HB2 SER A1071 2.372 -25.425 13.552 1.00 43.21 H new ATOM 0 HB3 SER A1071 3.491 -24.261 12.872 1.00 43.21 H new ATOM 0 HG SER A1071 1.149 -23.562 11.896 1.00 50.53 H new ATOM 298 N GLY A1072 0.178 -25.533 10.611 1.00 2.20 N ATOM 299 CA GLY A1072 -1.128 -26.135 10.413 1.00 71.04 C ATOM 300 C GLY A1072 -1.122 -27.187 9.322 1.00 23.24 C ATOM 301 O GLY A1072 -1.773 -28.225 9.449 1.00 41.34 O ATOM 0 H GLY A1072 0.279 -24.593 10.227 1.00 2.20 H new ATOM 0 HA2 GLY A1072 -1.462 -26.587 11.347 1.00 71.04 H new ATOM 0 HA3 GLY A1072 -1.848 -25.357 10.160 1.00 71.04 H new ATOM 305 N ILE A1073 -0.388 -26.919 8.247 1.00 20.00 N ATOM 306 CA ILE A1073 -0.302 -27.850 7.130 1.00 33.42 C ATOM 307 C ILE A1073 0.561 -29.056 7.486 1.00 75.34 C ATOM 308 O ILE A1073 0.338 -30.160 6.990 1.00 70.41 O ATOM 309 CB ILE A1073 0.276 -27.172 5.874 1.00 43.51 C ATOM 310 CG1 ILE A1073 1.741 -26.794 6.101 1.00 52.25 C ATOM 311 CG2 ILE A1073 -0.544 -25.942 5.512 1.00 61.21 C ATOM 312 CD1 ILE A1073 2.398 -26.167 4.891 1.00 13.42 C ATOM 0 H ILE A1073 0.156 -26.064 8.127 1.00 20.00 H new ATOM 0 HA ILE A1073 -1.318 -28.182 6.917 1.00 33.42 H new ATOM 0 HB ILE A1073 0.226 -27.876 5.043 1.00 43.51 H new ATOM 0 HG12 ILE A1073 1.803 -26.099 6.939 1.00 52.25 H new ATOM 0 HG13 ILE A1073 2.298 -27.687 6.385 1.00 52.25 H new ATOM 0 HG21 ILE A1073 -0.123 -25.473 4.622 1.00 61.21 H new ATOM 0 HG22 ILE A1073 -1.574 -26.237 5.314 1.00 61.21 H new ATOM 0 HG23 ILE A1073 -0.522 -25.234 6.340 1.00 61.21 H new ATOM 0 HD11 ILE A1073 3.435 -25.925 5.125 1.00 13.42 H new ATOM 0 HD12 ILE A1073 2.368 -26.868 4.057 1.00 13.42 H new ATOM 0 HD13 ILE A1073 1.865 -25.256 4.619 1.00 13.42 H new ATOM 324 N GLY A1074 1.548 -28.837 8.350 1.00 61.32 N ATOM 325 CA GLY A1074 2.429 -29.916 8.758 1.00 43.31 C ATOM 326 C GLY A1074 1.762 -30.875 9.724 1.00 45.03 C ATOM 327 O GLY A1074 2.023 -32.077 9.696 1.00 64.45 O ATOM 0 H GLY A1074 1.753 -27.932 8.774 1.00 61.32 H new ATOM 0 HA2 GLY A1074 2.759 -30.465 7.876 1.00 43.31 H new ATOM 0 HA3 GLY A1074 3.320 -29.497 9.225 1.00 43.31 H new ATOM 331 N GLY A1075 0.898 -30.342 10.583 1.00 64.10 N ATOM 332 CA GLY A1075 0.207 -31.174 11.551 1.00 1.43 C ATOM 333 C GLY A1075 -0.886 -32.013 10.918 1.00 5.24 C ATOM 334 O GLY A1075 -1.147 -33.136 11.353 1.00 63.10 O ATOM 0 H GLY A1075 0.665 -29.350 10.626 1.00 64.10 H new ATOM 0 HA2 GLY A1075 0.926 -31.830 12.041 1.00 1.43 H new ATOM 0 HA3 GLY A1075 -0.227 -30.541 12.325 1.00 1.43 H new ATOM 338 N LEU A1076 -1.528 -31.468 9.892 1.00 11.42 N ATOM 339 CA LEU A1076 -2.602 -32.173 9.199 1.00 70.55 C ATOM 340 C LEU A1076 -2.047 -33.327 8.369 1.00 13.21 C ATOM 341 O LEU A1076 -2.642 -34.404 8.309 1.00 54.23 O ATOM 342 CB LEU A1076 -3.376 -31.208 8.300 1.00 74.35 C ATOM 343 CG LEU A1076 -4.680 -30.655 8.875 1.00 1.41 C ATOM 344 CD1 LEU A1076 -4.431 -29.993 10.222 1.00 23.50 C ATOM 345 CD2 LEU A1076 -5.315 -29.669 7.905 1.00 22.01 C ATOM 0 H LEU A1076 -1.324 -30.540 9.521 1.00 11.42 H new ATOM 0 HA LEU A1076 -3.279 -32.581 9.949 1.00 70.55 H new ATOM 0 HB2 LEU A1076 -2.725 -30.368 8.056 1.00 74.35 H new ATOM 0 HB3 LEU A1076 -3.603 -31.718 7.364 1.00 74.35 H new ATOM 0 HG LEU A1076 -5.370 -31.486 9.023 1.00 1.41 H new ATOM 0 HD11 LEU A1076 -5.370 -29.605 10.616 1.00 23.50 H new ATOM 0 HD12 LEU A1076 -4.021 -30.726 10.917 1.00 23.50 H new ATOM 0 HD13 LEU A1076 -3.723 -29.173 10.099 1.00 23.50 H new ATOM 0 HD21 LEU A1076 -6.242 -29.286 8.331 1.00 22.01 H new ATOM 0 HD22 LEU A1076 -4.629 -28.842 7.726 1.00 22.01 H new ATOM 0 HD23 LEU A1076 -5.530 -30.173 6.963 1.00 22.01 H new ATOM 357 N LEU A1077 -0.906 -33.094 7.731 1.00 25.32 N ATOM 358 CA LEU A1077 -0.269 -34.115 6.906 1.00 62.23 C ATOM 359 C LEU A1077 0.228 -35.276 7.762 1.00 61.33 C ATOM 360 O LEU A1077 0.129 -36.438 7.368 1.00 32.14 O ATOM 361 CB LEU A1077 0.896 -33.510 6.120 1.00 3.45 C ATOM 362 CG LEU A1077 1.196 -34.151 4.765 1.00 74.15 C ATOM 363 CD1 LEU A1077 0.323 -33.538 3.680 1.00 33.30 C ATOM 364 CD2 LEU A1077 2.669 -33.997 4.416 1.00 1.51 C ATOM 0 H LEU A1077 -0.403 -32.208 7.769 1.00 25.32 H new ATOM 0 HA LEU A1077 -1.012 -34.497 6.206 1.00 62.23 H new ATOM 0 HB2 LEU A1077 0.690 -32.452 5.961 1.00 3.45 H new ATOM 0 HB3 LEU A1077 1.794 -33.571 6.735 1.00 3.45 H new ATOM 0 HG LEU A1077 0.968 -35.215 4.830 1.00 74.15 H new ATOM 0 HD11 LEU A1077 0.550 -34.006 2.722 1.00 33.30 H new ATOM 0 HD12 LEU A1077 -0.727 -33.700 3.923 1.00 33.30 H new ATOM 0 HD13 LEU A1077 0.520 -32.468 3.616 1.00 33.30 H new ATOM 0 HD21 LEU A1077 2.864 -34.459 3.448 1.00 1.51 H new ATOM 0 HD22 LEU A1077 2.923 -32.938 4.370 1.00 1.51 H new ATOM 0 HD23 LEU A1077 3.277 -34.483 5.179 1.00 1.51 H new ATOM 376 N LEU A1078 0.762 -34.953 8.935 1.00 50.55 N ATOM 377 CA LEU A1078 1.273 -35.969 9.848 1.00 63.21 C ATOM 378 C LEU A1078 0.131 -36.742 10.496 1.00 32.22 C ATOM 379 O LEU A1078 0.296 -37.895 10.899 1.00 12.32 O ATOM 380 CB LEU A1078 2.143 -35.321 10.927 1.00 11.32 C ATOM 381 CG LEU A1078 3.649 -35.312 10.660 1.00 2.21 C ATOM 382 CD1 LEU A1078 3.944 -34.703 9.298 1.00 64.43 C ATOM 383 CD2 LEU A1078 4.380 -34.551 11.756 1.00 50.44 C ATOM 0 H LEU A1078 0.852 -33.996 9.276 1.00 50.55 H new ATOM 0 HA LEU A1078 1.879 -36.668 9.272 1.00 63.21 H new ATOM 0 HB2 LEU A1078 1.812 -34.291 11.062 1.00 11.32 H new ATOM 0 HB3 LEU A1078 1.964 -35.839 11.869 1.00 11.32 H new ATOM 0 HG LEU A1078 4.006 -36.342 10.661 1.00 2.21 H new ATOM 0 HD11 LEU A1078 5.020 -34.704 9.124 1.00 64.43 H new ATOM 0 HD12 LEU A1078 3.450 -35.289 8.523 1.00 64.43 H new ATOM 0 HD13 LEU A1078 3.573 -33.678 9.270 1.00 64.43 H new ATOM 0 HD21 LEU A1078 5.450 -34.555 11.550 1.00 50.44 H new ATOM 0 HD22 LEU A1078 4.020 -33.523 11.787 1.00 50.44 H new ATOM 0 HD23 LEU A1078 4.194 -35.030 12.717 1.00 50.44 H new ATOM 395 N LEU A1079 -1.030 -36.103 10.593 1.00 22.33 N ATOM 396 CA LEU A1079 -2.203 -36.733 11.191 1.00 52.42 C ATOM 397 C LEU A1079 -2.832 -37.734 10.228 1.00 13.24 C ATOM 398 O LEU A1079 -3.321 -38.787 10.643 1.00 62.32 O ATOM 399 CB LEU A1079 -3.231 -35.670 11.584 1.00 74.45 C ATOM 400 CG LEU A1079 -4.327 -36.122 12.550 1.00 31.11 C ATOM 401 CD1 LEU A1079 -4.780 -34.962 13.423 1.00 22.52 C ATOM 402 CD2 LEU A1079 -5.505 -36.707 11.784 1.00 42.22 C ATOM 0 H LEU A1079 -1.185 -35.149 10.265 1.00 22.33 H new ATOM 0 HA LEU A1079 -1.883 -37.268 12.085 1.00 52.42 H new ATOM 0 HB2 LEU A1079 -2.702 -34.830 12.034 1.00 74.45 H new ATOM 0 HB3 LEU A1079 -3.705 -35.298 10.676 1.00 74.45 H new ATOM 0 HG LEU A1079 -3.918 -36.899 13.196 1.00 31.11 H new ATOM 0 HD11 LEU A1079 -5.560 -35.302 14.104 1.00 22.52 H new ATOM 0 HD12 LEU A1079 -3.934 -34.588 13.999 1.00 22.52 H new ATOM 0 HD13 LEU A1079 -5.172 -34.164 12.793 1.00 22.52 H new ATOM 0 HD21 LEU A1079 -6.275 -37.023 12.487 1.00 42.22 H new ATOM 0 HD22 LEU A1079 -5.914 -35.951 11.113 1.00 42.22 H new ATOM 0 HD23 LEU A1079 -5.170 -37.566 11.202 1.00 42.22 H new ATOM 414 N LEU A1080 -2.818 -37.402 8.942 1.00 64.02 N ATOM 415 CA LEU A1080 -3.385 -38.274 7.920 1.00 74.43 C ATOM 416 C LEU A1080 -2.471 -39.466 7.652 1.00 0.15 C ATOM 417 O LEU A1080 -2.939 -40.573 7.384 1.00 52.45 O ATOM 418 CB LEU A1080 -3.616 -37.493 6.625 1.00 42.11 C ATOM 419 CG LEU A1080 -4.761 -36.480 6.648 1.00 41.34 C ATOM 420 CD1 LEU A1080 -4.504 -35.361 5.651 1.00 63.41 C ATOM 421 CD2 LEU A1080 -6.086 -37.167 6.351 1.00 12.32 C ATOM 0 H LEU A1080 -2.420 -36.535 8.582 1.00 64.02 H new ATOM 0 HA LEU A1080 -4.341 -38.648 8.287 1.00 74.43 H new ATOM 0 HB2 LEU A1080 -2.696 -36.966 6.373 1.00 42.11 H new ATOM 0 HB3 LEU A1080 -3.804 -38.206 5.823 1.00 42.11 H new ATOM 0 HG LEU A1080 -4.815 -36.044 7.646 1.00 41.34 H new ATOM 0 HD11 LEU A1080 -5.329 -34.650 5.682 1.00 63.41 H new ATOM 0 HD12 LEU A1080 -3.576 -34.851 5.908 1.00 63.41 H new ATOM 0 HD13 LEU A1080 -4.422 -35.779 4.648 1.00 63.41 H new ATOM 0 HD21 LEU A1080 -6.890 -36.431 6.371 1.00 12.32 H new ATOM 0 HD22 LEU A1080 -6.043 -37.630 5.365 1.00 12.32 H new ATOM 0 HD23 LEU A1080 -6.276 -37.933 7.103 1.00 12.32 H new ATOM 433 N LEU A1081 -1.166 -39.233 7.728 1.00 3.52 N ATOM 434 CA LEU A1081 -0.185 -40.287 7.497 1.00 61.15 C ATOM 435 C LEU A1081 -0.067 -41.199 8.714 1.00 43.23 C ATOM 436 O LEU A1081 0.149 -42.403 8.581 1.00 64.34 O ATOM 437 CB LEU A1081 1.179 -39.679 7.167 1.00 74.22 C ATOM 438 CG LEU A1081 2.191 -39.639 8.312 1.00 44.34 C ATOM 439 CD1 LEU A1081 2.884 -40.983 8.461 1.00 32.30 C ATOM 440 CD2 LEU A1081 3.212 -38.533 8.082 1.00 21.43 C ATOM 0 H LEU A1081 -0.762 -38.323 7.948 1.00 3.52 H new ATOM 0 HA LEU A1081 -0.524 -40.884 6.651 1.00 61.15 H new ATOM 0 HB2 LEU A1081 1.616 -40.243 6.342 1.00 74.22 H new ATOM 0 HB3 LEU A1081 1.024 -38.661 6.810 1.00 74.22 H new ATOM 0 HG LEU A1081 1.655 -39.426 9.237 1.00 44.34 H new ATOM 0 HD11 LEU A1081 3.600 -40.934 9.281 1.00 32.30 H new ATOM 0 HD12 LEU A1081 2.142 -41.753 8.673 1.00 32.30 H new ATOM 0 HD13 LEU A1081 3.407 -41.227 7.536 1.00 32.30 H new ATOM 0 HD21 LEU A1081 3.925 -38.519 8.907 1.00 21.43 H new ATOM 0 HD22 LEU A1081 3.742 -38.716 7.147 1.00 21.43 H new ATOM 0 HD23 LEU A1081 2.701 -37.572 8.027 1.00 21.43 H new ATOM 452 N ILE A1082 -0.212 -40.616 9.899 1.00 1.51 N ATOM 453 CA ILE A1082 -0.124 -41.375 11.140 1.00 0.44 C ATOM 454 C ILE A1082 -1.350 -42.263 11.328 1.00 11.13 C ATOM 455 O ILE A1082 -1.259 -43.354 11.892 1.00 31.02 O ATOM 456 CB ILE A1082 0.015 -40.446 12.360 1.00 31.32 C ATOM 457 CG1 ILE A1082 1.463 -39.974 12.507 1.00 63.14 C ATOM 458 CG2 ILE A1082 -0.445 -41.159 13.624 1.00 54.45 C ATOM 459 CD1 ILE A1082 1.607 -38.715 13.332 1.00 60.14 C ATOM 0 H ILE A1082 -0.391 -39.620 10.026 1.00 1.51 H new ATOM 0 HA ILE A1082 0.767 -41.999 11.066 1.00 0.44 H new ATOM 0 HB ILE A1082 -0.619 -39.573 12.207 1.00 31.32 H new ATOM 0 HG12 ILE A1082 2.051 -40.769 12.966 1.00 63.14 H new ATOM 0 HG13 ILE A1082 1.882 -39.799 11.516 1.00 63.14 H new ATOM 0 HG21 ILE A1082 -0.341 -40.490 14.478 1.00 54.45 H new ATOM 0 HG22 ILE A1082 -1.490 -41.451 13.517 1.00 54.45 H new ATOM 0 HG23 ILE A1082 0.166 -42.048 13.783 1.00 54.45 H new ATOM 0 HD11 ILE A1082 2.660 -38.439 13.394 1.00 60.14 H new ATOM 0 HD12 ILE A1082 1.047 -37.906 12.863 1.00 60.14 H new ATOM 0 HD13 ILE A1082 1.218 -38.891 14.335 1.00 60.14 H new ATOM 471 N PHE A1083 -2.496 -41.789 10.851 1.00 11.55 N ATOM 472 CA PHE A1083 -3.742 -42.539 10.966 1.00 61.23 C ATOM 473 C PHE A1083 -3.762 -43.710 9.987 1.00 4.30 C ATOM 474 O PHE A1083 -4.246 -44.794 10.313 1.00 75.42 O ATOM 475 CB PHE A1083 -4.939 -41.623 10.709 1.00 1.02 C ATOM 476 CG PHE A1083 -5.478 -40.978 11.953 1.00 53.20 C ATOM 477 CD1 PHE A1083 -4.622 -40.402 12.878 1.00 1.31 C ATOM 478 CD2 PHE A1083 -6.842 -40.948 12.199 1.00 51.21 C ATOM 479 CE1 PHE A1083 -5.116 -39.807 14.024 1.00 64.22 C ATOM 480 CE2 PHE A1083 -7.340 -40.354 13.343 1.00 12.42 C ATOM 481 CZ PHE A1083 -6.477 -39.783 14.257 1.00 72.22 C ATOM 0 H PHE A1083 -2.588 -40.889 10.381 1.00 11.55 H new ATOM 0 HA PHE A1083 -3.808 -42.934 11.980 1.00 61.23 H new ATOM 0 HB2 PHE A1083 -4.646 -40.845 10.004 1.00 1.02 H new ATOM 0 HB3 PHE A1083 -5.733 -42.200 10.235 1.00 1.02 H new ATOM 0 HD1 PHE A1083 -3.557 -40.418 12.702 1.00 1.31 H new ATOM 0 HD2 PHE A1083 -7.523 -41.394 11.489 1.00 51.21 H new ATOM 0 HE1 PHE A1083 -4.438 -39.361 14.737 1.00 64.22 H new ATOM 0 HE2 PHE A1083 -8.405 -40.336 13.522 1.00 12.42 H new ATOM 0 HZ PHE A1083 -6.865 -39.319 15.152 1.00 72.22 H new ATOM 491 N ILE A1084 -3.235 -43.482 8.790 1.00 52.32 N ATOM 492 CA ILE A1084 -3.193 -44.516 7.764 1.00 32.32 C ATOM 493 C ILE A1084 -2.083 -45.524 8.045 1.00 3.32 C ATOM 494 O ILE A1084 -2.227 -46.715 7.771 1.00 22.52 O ATOM 495 CB ILE A1084 -2.981 -43.913 6.363 1.00 0.44 C ATOM 496 CG1 ILE A1084 -4.176 -43.041 5.973 1.00 4.34 C ATOM 497 CG2 ILE A1084 -2.766 -45.017 5.338 1.00 3.32 C ATOM 498 CD1 ILE A1084 -4.021 -42.369 4.627 1.00 60.41 C ATOM 0 H ILE A1084 -2.831 -42.590 8.506 1.00 52.32 H new ATOM 0 HA ILE A1084 -4.157 -45.024 7.789 1.00 32.32 H new ATOM 0 HB ILE A1084 -2.090 -43.286 6.384 1.00 0.44 H new ATOM 0 HG12 ILE A1084 -5.076 -43.656 5.961 1.00 4.34 H new ATOM 0 HG13 ILE A1084 -4.322 -42.277 6.737 1.00 4.34 H new ATOM 0 HG21 ILE A1084 -2.618 -44.575 4.353 1.00 3.32 H new ATOM 0 HG22 ILE A1084 -1.886 -45.600 5.610 1.00 3.32 H new ATOM 0 HG23 ILE A1084 -3.640 -45.668 5.316 1.00 3.32 H new ATOM 0 HD11 ILE A1084 -4.905 -41.768 4.417 1.00 60.41 H new ATOM 0 HD12 ILE A1084 -3.140 -41.727 4.640 1.00 60.41 H new ATOM 0 HD13 ILE A1084 -3.905 -43.128 3.853 1.00 60.41 H new ATOM 510 N VAL A1085 -0.975 -45.037 8.594 1.00 44.54 N ATOM 511 CA VAL A1085 0.160 -45.894 8.916 1.00 73.15 C ATOM 512 C VAL A1085 -0.160 -46.813 10.088 1.00 24.13 C ATOM 513 O VAL A1085 0.368 -47.921 10.186 1.00 63.20 O ATOM 514 CB VAL A1085 1.412 -45.064 9.255 1.00 62.12 C ATOM 515 CG1 VAL A1085 2.429 -45.913 10.003 1.00 60.13 C ATOM 516 CG2 VAL A1085 2.021 -44.478 7.991 1.00 41.35 C ATOM 0 H VAL A1085 -0.839 -44.053 8.825 1.00 44.54 H new ATOM 0 HA VAL A1085 0.362 -46.497 8.031 1.00 73.15 H new ATOM 0 HB VAL A1085 1.115 -44.240 9.903 1.00 62.12 H new ATOM 0 HG11 VAL A1085 3.307 -45.310 10.234 1.00 60.13 H new ATOM 0 HG12 VAL A1085 1.986 -46.279 10.929 1.00 60.13 H new ATOM 0 HG13 VAL A1085 2.723 -46.759 9.382 1.00 60.13 H new ATOM 0 HG21 VAL A1085 2.905 -43.895 8.250 1.00 41.35 H new ATOM 0 HG22 VAL A1085 2.304 -45.285 7.315 1.00 41.35 H new ATOM 0 HG23 VAL A1085 1.291 -43.833 7.501 1.00 41.35 H new ATOM 526 N LEU A1086 -1.030 -46.347 10.978 1.00 75.01 N ATOM 527 CA LEU A1086 -1.423 -47.128 12.146 1.00 52.44 C ATOM 528 C LEU A1086 -2.556 -48.090 11.802 1.00 62.25 C ATOM 529 O LEU A1086 -2.684 -49.155 12.407 1.00 44.11 O ATOM 530 CB LEU A1086 -1.856 -46.199 13.283 1.00 71.42 C ATOM 531 CG LEU A1086 -0.732 -45.453 14.003 1.00 1.02 C ATOM 532 CD1 LEU A1086 -1.303 -44.533 15.072 1.00 1.31 C ATOM 533 CD2 LEU A1086 0.255 -46.436 14.614 1.00 64.04 C ATOM 0 H LEU A1086 -1.477 -45.432 10.913 1.00 75.01 H new ATOM 0 HA LEU A1086 -0.561 -47.711 12.469 1.00 52.44 H new ATOM 0 HB2 LEU A1086 -2.553 -45.464 12.880 1.00 71.42 H new ATOM 0 HB3 LEU A1086 -2.404 -46.788 14.019 1.00 71.42 H new ATOM 0 HG LEU A1086 -0.200 -44.843 13.273 1.00 1.02 H new ATOM 0 HD11 LEU A1086 -0.489 -44.010 15.574 1.00 1.31 H new ATOM 0 HD12 LEU A1086 -1.970 -43.806 14.608 1.00 1.31 H new ATOM 0 HD13 LEU A1086 -1.860 -45.123 15.800 1.00 1.31 H new ATOM 0 HD21 LEU A1086 1.048 -45.887 15.122 1.00 64.04 H new ATOM 0 HD22 LEU A1086 -0.263 -47.073 15.331 1.00 64.04 H new ATOM 0 HD23 LEU A1086 0.688 -47.053 13.827 1.00 64.04 H new ATOM 545 N TYR A1087 -3.371 -47.710 10.825 1.00 21.24 N ATOM 546 CA TYR A1087 -4.493 -48.540 10.401 1.00 74.21 C ATOM 547 C TYR A1087 -4.033 -49.623 9.429 1.00 64.25 C ATOM 548 O TYR A1087 -4.734 -50.608 9.201 1.00 32.14 O ATOM 549 CB TYR A1087 -5.573 -47.677 9.746 1.00 31.12 C ATOM 550 CG TYR A1087 -6.103 -48.250 8.450 1.00 22.13 C ATOM 551 CD1 TYR A1087 -7.160 -49.151 8.447 1.00 2.04 C ATOM 552 CD2 TYR A1087 -5.546 -47.889 7.230 1.00 22.41 C ATOM 553 CE1 TYR A1087 -7.647 -49.677 7.267 1.00 34.23 C ATOM 554 CE2 TYR A1087 -6.027 -48.409 6.044 1.00 22.30 C ATOM 555 CZ TYR A1087 -7.078 -49.304 6.068 1.00 44.15 C ATOM 556 OH TYR A1087 -7.560 -49.824 4.889 1.00 75.01 O ATOM 0 H TYR A1087 -3.276 -46.834 10.312 1.00 21.24 H new ATOM 0 HA TYR A1087 -4.909 -49.023 11.285 1.00 74.21 H new ATOM 0 HB2 TYR A1087 -6.401 -47.554 10.444 1.00 31.12 H new ATOM 0 HB3 TYR A1087 -5.166 -46.684 9.555 1.00 31.12 H new ATOM 0 HD1 TYR A1087 -7.609 -49.445 9.384 1.00 2.04 H new ATOM 0 HD2 TYR A1087 -4.723 -47.190 7.208 1.00 22.41 H new ATOM 0 HE1 TYR A1087 -8.469 -50.377 7.283 1.00 34.23 H new ATOM 0 HE2 TYR A1087 -5.584 -48.117 5.104 1.00 22.30 H new ATOM 0 HH TYR A1087 -8.116 -49.154 4.439 1.00 75.01 H new ATOM 566 N LYS A1088 -2.847 -49.432 8.859 1.00 4.51 N ATOM 567 CA LYS A1088 -2.289 -50.391 7.914 1.00 54.34 C ATOM 568 C LYS A1088 -1.254 -51.284 8.592 1.00 55.25 C ATOM 569 O LYS A1088 -1.021 -52.415 8.164 1.00 44.14 O ATOM 570 CB LYS A1088 -1.651 -49.660 6.731 1.00 51.42 C ATOM 571 CG LYS A1088 -2.599 -49.450 5.562 1.00 4.05 C ATOM 572 CD LYS A1088 -2.637 -50.664 4.650 1.00 35.34 C ATOM 573 CE LYS A1088 -1.500 -50.639 3.641 1.00 65.30 C ATOM 574 NZ LYS A1088 -1.503 -51.848 2.772 1.00 61.35 N ATOM 0 H LYS A1088 -2.254 -48.621 9.036 1.00 4.51 H new ATOM 0 HA LYS A1088 -3.102 -51.019 7.549 1.00 54.34 H new ATOM 0 HB2 LYS A1088 -1.284 -48.691 7.069 1.00 51.42 H new ATOM 0 HB3 LYS A1088 -0.785 -50.227 6.389 1.00 51.42 H new ATOM 0 HG2 LYS A1088 -3.601 -49.245 5.938 1.00 4.05 H new ATOM 0 HG3 LYS A1088 -2.287 -48.575 4.992 1.00 4.05 H new ATOM 0 HD2 LYS A1088 -2.573 -51.572 5.249 1.00 35.34 H new ATOM 0 HD3 LYS A1088 -3.591 -50.695 4.124 1.00 35.34 H new ATOM 0 HE2 LYS A1088 -1.584 -49.746 3.021 1.00 65.30 H new ATOM 0 HE3 LYS A1088 -0.548 -50.573 4.168 1.00 65.30 H new ATOM 0 HZ1 LYS A1088 -0.713 -51.793 2.098 1.00 61.35 H new ATOM 0 HZ2 LYS A1088 -1.397 -52.699 3.361 1.00 61.35 H new ATOM 0 HZ3 LYS A1088 -2.401 -51.898 2.250 1.00 61.35 H new ATOM 588 N VAL A1089 -0.637 -50.769 9.650 1.00 23.10 N ATOM 589 CA VAL A1089 0.371 -51.520 10.388 1.00 32.33 C ATOM 590 C VAL A1089 -0.273 -52.584 11.270 1.00 70.45 C ATOM 591 O VAL A1089 0.302 -53.648 11.497 1.00 64.21 O ATOM 592 CB VAL A1089 1.231 -50.592 11.266 1.00 30.13 C ATOM 593 CG1 VAL A1089 1.670 -51.312 12.533 1.00 34.41 C ATOM 594 CG2 VAL A1089 2.435 -50.087 10.487 1.00 50.45 C ATOM 0 H VAL A1089 -0.818 -49.834 10.016 1.00 23.10 H new ATOM 0 HA VAL A1089 1.010 -52.003 9.649 1.00 32.33 H new ATOM 0 HB VAL A1089 0.627 -49.732 11.555 1.00 30.13 H new ATOM 0 HG11 VAL A1089 2.277 -50.641 13.141 1.00 34.41 H new ATOM 0 HG12 VAL A1089 0.791 -51.620 13.099 1.00 34.41 H new ATOM 0 HG13 VAL A1089 2.257 -52.191 12.267 1.00 34.41 H new ATOM 0 HG21 VAL A1089 3.031 -49.433 11.123 1.00 50.45 H new ATOM 0 HG22 VAL A1089 3.042 -50.934 10.167 1.00 50.45 H new ATOM 0 HG23 VAL A1089 2.096 -49.532 9.612 1.00 50.45 H new ATOM 604 N GLY A1090 -1.472 -52.289 11.764 1.00 24.42 N ATOM 605 CA GLY A1090 -2.174 -53.232 12.615 1.00 2.34 C ATOM 606 C GLY A1090 -2.667 -52.596 13.901 1.00 50.13 C ATOM 607 O GLY A1090 -3.503 -53.164 14.603 1.00 74.50 O ATOM 0 H GLY A1090 -1.969 -51.415 11.590 1.00 24.42 H new ATOM 0 HA2 GLY A1090 -3.022 -53.647 12.070 1.00 2.34 H new ATOM 0 HA3 GLY A1090 -1.511 -54.063 12.855 1.00 2.34 H new ATOM 611 N PHE A1091 -2.146 -51.412 14.211 1.00 34.51 N ATOM 612 CA PHE A1091 -2.535 -50.700 15.423 1.00 73.03 C ATOM 613 C PHE A1091 -4.050 -50.531 15.491 1.00 52.03 C ATOM 614 O PHE A1091 -4.705 -51.051 16.395 1.00 41.45 O ATOM 615 CB PHE A1091 -1.854 -49.331 15.475 1.00 15.53 C ATOM 616 CG PHE A1091 -1.678 -48.803 16.869 1.00 45.32 C ATOM 617 CD1 PHE A1091 -0.906 -49.489 17.792 1.00 70.30 C ATOM 618 CD2 PHE A1091 -2.285 -47.619 17.258 1.00 44.44 C ATOM 619 CE1 PHE A1091 -0.741 -49.006 19.076 1.00 63.43 C ATOM 620 CE2 PHE A1091 -2.123 -47.130 18.541 1.00 41.32 C ATOM 621 CZ PHE A1091 -1.351 -47.825 19.451 1.00 1.14 C ATOM 0 H PHE A1091 -1.454 -50.926 13.640 1.00 34.51 H new ATOM 0 HA PHE A1091 -2.214 -51.290 16.281 1.00 73.03 H new ATOM 0 HB2 PHE A1091 -0.878 -49.401 14.995 1.00 15.53 H new ATOM 0 HB3 PHE A1091 -2.443 -48.619 14.897 1.00 15.53 H new ATOM 0 HD1 PHE A1091 -0.427 -50.413 17.504 1.00 70.30 H new ATOM 0 HD2 PHE A1091 -2.891 -47.072 16.551 1.00 44.44 H new ATOM 0 HE1 PHE A1091 -0.136 -49.551 19.785 1.00 63.43 H new ATOM 0 HE2 PHE A1091 -2.600 -46.205 18.831 1.00 41.32 H new ATOM 0 HZ PHE A1091 -1.224 -47.446 20.454 1.00 1.14 H new ATOM 631 N PHE A1092 -4.602 -49.799 14.527 1.00 30.34 N ATOM 632 CA PHE A1092 -6.039 -49.560 14.478 1.00 23.02 C ATOM 633 C PHE A1092 -6.766 -50.740 13.842 1.00 32.12 C ATOM 634 O PHE A1092 -7.990 -50.731 13.705 1.00 54.32 O ATOM 635 CB PHE A1092 -6.337 -48.280 13.694 1.00 54.33 C ATOM 636 CG PHE A1092 -6.382 -47.048 14.552 1.00 14.34 C ATOM 637 CD1 PHE A1092 -5.234 -46.568 15.158 1.00 25.12 C ATOM 638 CD2 PHE A1092 -7.575 -46.371 14.752 1.00 54.43 C ATOM 639 CE1 PHE A1092 -5.272 -45.434 15.949 1.00 42.22 C ATOM 640 CE2 PHE A1092 -7.619 -45.236 15.540 1.00 32.01 C ATOM 641 CZ PHE A1092 -6.467 -44.768 16.140 1.00 50.34 C ATOM 0 H PHE A1092 -4.075 -49.362 13.771 1.00 30.34 H new ATOM 0 HA PHE A1092 -6.398 -49.444 15.501 1.00 23.02 H new ATOM 0 HB2 PHE A1092 -5.576 -48.149 12.924 1.00 54.33 H new ATOM 0 HB3 PHE A1092 -7.293 -48.391 13.182 1.00 54.33 H new ATOM 0 HD1 PHE A1092 -4.297 -47.085 15.011 1.00 25.12 H new ATOM 0 HD2 PHE A1092 -8.480 -46.734 14.287 1.00 54.43 H new ATOM 0 HE1 PHE A1092 -4.369 -45.070 16.416 1.00 42.22 H new ATOM 0 HE2 PHE A1092 -8.554 -44.716 15.686 1.00 32.01 H new ATOM 0 HZ PHE A1092 -6.500 -43.883 16.758 1.00 50.34 H new ATOM 651 N LYS A1093 -6.004 -51.758 13.454 1.00 44.01 N ATOM 652 CA LYS A1093 -6.573 -52.947 12.832 1.00 21.20 C ATOM 653 C LYS A1093 -6.921 -53.997 13.883 1.00 65.45 C ATOM 654 O LYS A1093 -6.567 -53.857 15.055 1.00 13.30 O ATOM 655 CB LYS A1093 -5.593 -53.534 11.814 1.00 62.31 C ATOM 656 CG LYS A1093 -6.270 -54.289 10.683 1.00 62.35 C ATOM 657 CD LYS A1093 -5.950 -53.673 9.331 1.00 4.11 C ATOM 658 CE LYS A1093 -6.328 -54.604 8.191 1.00 71.33 C ATOM 659 NZ LYS A1093 -7.802 -54.794 8.094 1.00 45.35 N ATOM 0 H LYS A1093 -4.990 -51.783 13.560 1.00 44.01 H new ATOM 0 HA LYS A1093 -7.489 -52.655 12.318 1.00 21.20 H new ATOM 0 HB2 LYS A1093 -4.993 -52.727 11.393 1.00 62.31 H new ATOM 0 HB3 LYS A1093 -4.907 -54.206 12.329 1.00 62.31 H new ATOM 0 HG2 LYS A1093 -5.947 -55.330 10.695 1.00 62.35 H new ATOM 0 HG3 LYS A1093 -7.349 -54.288 10.838 1.00 62.35 H new ATOM 0 HD2 LYS A1093 -6.485 -52.729 9.224 1.00 4.11 H new ATOM 0 HD3 LYS A1093 -4.886 -53.444 9.277 1.00 4.11 H new ATOM 0 HE2 LYS A1093 -5.952 -54.199 7.252 1.00 71.33 H new ATOM 0 HE3 LYS A1093 -5.846 -55.571 8.337 1.00 71.33 H new ATOM 0 HZ1 LYS A1093 -8.018 -55.435 7.304 1.00 45.35 H new ATOM 0 HZ2 LYS A1093 -8.158 -55.204 8.981 1.00 45.35 H new ATOM 0 HZ3 LYS A1093 -8.260 -53.875 7.929 1.00 45.35 H new ATOM 673 N ARG A1094 -7.611 -55.049 13.456 1.00 1.33 N ATOM 674 CA ARG A1094 -8.005 -56.122 14.361 1.00 22.54 C ATOM 675 C ARG A1094 -8.757 -55.568 15.568 1.00 10.52 C ATOM 676 O ARG A1094 -8.453 -55.907 16.710 1.00 33.24 O ATOM 677 CB ARG A1094 -6.775 -56.902 14.828 1.00 60.44 C ATOM 678 CG ARG A1094 -6.947 -58.411 14.758 1.00 55.43 C ATOM 679 CD ARG A1094 -8.183 -58.866 15.519 1.00 71.30 C ATOM 680 NE ARG A1094 -9.348 -58.989 14.648 1.00 51.24 N ATOM 681 CZ ARG A1094 -9.493 -59.953 13.746 1.00 15.44 C ATOM 682 NH1 ARG A1094 -8.552 -60.875 13.598 1.00 40.33 N ATOM 683 NH2 ARG A1094 -10.584 -59.997 12.989 1.00 64.44 N ATOM 0 H ARG A1094 -7.909 -55.181 12.489 1.00 1.33 H new ATOM 0 HA ARG A1094 -8.669 -56.795 13.818 1.00 22.54 H new ATOM 0 HB2 ARG A1094 -5.919 -56.614 14.217 1.00 60.44 H new ATOM 0 HB3 ARG A1094 -6.544 -56.619 15.855 1.00 60.44 H new ATOM 0 HG2 ARG A1094 -7.025 -58.722 13.716 1.00 55.43 H new ATOM 0 HG3 ARG A1094 -6.064 -58.899 15.171 1.00 55.43 H new ATOM 0 HD2 ARG A1094 -7.983 -59.826 15.994 1.00 71.30 H new ATOM 0 HD3 ARG A1094 -8.400 -58.155 16.316 1.00 71.30 H new ATOM 0 HE ARG A1094 -10.092 -58.296 14.737 1.00 51.24 H new ATOM 0 HH11 ARG A1094 -7.713 -60.845 14.178 1.00 40.33 H new ATOM 0 HH12 ARG A1094 -8.667 -61.614 12.904 1.00 40.33 H new ATOM 0 HH21 ARG A1094 -11.311 -59.290 13.100 1.00 64.44 H new ATOM 0 HH22 ARG A1094 -10.695 -60.738 12.296 1.00 64.44 H new ATOM 697 N ASN A1095 -9.739 -54.711 15.305 1.00 74.00 N ATOM 698 CA ASN A1095 -10.533 -54.109 16.369 1.00 63.11 C ATOM 699 C ASN A1095 -11.953 -53.823 15.892 1.00 10.44 C ATOM 700 O ASN A1095 -12.300 -54.094 14.742 1.00 12.42 O ATOM 701 CB ASN A1095 -9.876 -52.815 16.854 1.00 43.13 C ATOM 702 CG ASN A1095 -8.658 -53.074 17.720 1.00 34.42 C ATOM 703 OD1 ASN A1095 -7.552 -52.637 17.401 1.00 22.20 O ATOM 704 ND2 ASN A1095 -8.856 -53.790 18.820 1.00 24.24 N ATOM 0 H ASN A1095 -10.003 -54.418 14.364 1.00 74.00 H new ATOM 0 HA ASN A1095 -10.582 -54.816 17.197 1.00 63.11 H new ATOM 0 HB2 ASN A1095 -9.585 -52.214 15.993 1.00 43.13 H new ATOM 0 HB3 ASN A1095 -10.603 -52.231 17.419 1.00 43.13 H new ATOM 0 HD21 ASN A1095 -8.074 -53.998 19.441 1.00 24.24 H new ATOM 0 HD22 ASN A1095 -9.790 -54.132 19.045 1.00 24.24 H new ATOM 711 N LEU A1096 -12.771 -53.274 16.784 1.00 55.50 N ATOM 712 CA LEU A1096 -14.156 -52.949 16.454 1.00 62.10 C ATOM 713 C LEU A1096 -14.318 -51.455 16.198 1.00 11.23 C ATOM 714 O LEU A1096 -14.544 -50.676 17.124 1.00 15.15 O ATOM 715 CB LEU A1096 -15.086 -53.389 17.585 1.00 5.31 C ATOM 716 CG LEU A1096 -16.510 -53.767 17.175 1.00 72.11 C ATOM 717 CD1 LEU A1096 -17.214 -52.581 16.535 1.00 4.33 C ATOM 718 CD2 LEU A1096 -16.493 -54.956 16.225 1.00 52.53 C ATOM 0 H LEU A1096 -12.500 -53.045 17.740 1.00 55.50 H new ATOM 0 HA LEU A1096 -14.423 -53.485 15.543 1.00 62.10 H new ATOM 0 HB2 LEU A1096 -14.635 -54.245 18.087 1.00 5.31 H new ATOM 0 HB3 LEU A1096 -15.142 -52.583 18.317 1.00 5.31 H new ATOM 0 HG LEU A1096 -17.063 -54.051 18.071 1.00 72.11 H new ATOM 0 HD11 LEU A1096 -18.226 -52.869 16.250 1.00 4.33 H new ATOM 0 HD12 LEU A1096 -17.258 -51.757 17.247 1.00 4.33 H new ATOM 0 HD13 LEU A1096 -16.663 -52.266 15.649 1.00 4.33 H new ATOM 0 HD21 LEU A1096 -17.515 -55.211 15.943 1.00 52.53 H new ATOM 0 HD22 LEU A1096 -15.924 -54.700 15.332 1.00 52.53 H new ATOM 0 HD23 LEU A1096 -16.029 -55.810 16.719 1.00 52.53 H new ATOM 730 N LYS A1097 -14.204 -51.060 14.934 1.00 12.31 N ATOM 731 CA LYS A1097 -14.343 -49.659 14.555 1.00 73.44 C ATOM 732 C LYS A1097 -15.034 -49.528 13.201 1.00 60.54 C ATOM 733 O LYS A1097 -15.421 -50.526 12.593 1.00 5.30 O ATOM 734 CB LYS A1097 -12.970 -48.985 14.506 1.00 62.12 C ATOM 735 CG LYS A1097 -12.213 -49.050 15.821 1.00 2.23 C ATOM 736 CD LYS A1097 -10.970 -48.176 15.793 1.00 11.30 C ATOM 737 CE LYS A1097 -10.422 -47.942 17.193 1.00 51.35 C ATOM 738 NZ LYS A1097 -9.984 -49.211 17.837 1.00 14.30 N ATOM 0 H LYS A1097 -14.016 -51.691 14.155 1.00 12.31 H new ATOM 0 HA LYS A1097 -14.958 -49.164 15.306 1.00 73.44 H new ATOM 0 HB2 LYS A1097 -12.370 -49.457 13.728 1.00 62.12 H new ATOM 0 HB3 LYS A1097 -13.097 -47.941 14.221 1.00 62.12 H new ATOM 0 HG2 LYS A1097 -12.865 -48.730 16.634 1.00 2.23 H new ATOM 0 HG3 LYS A1097 -11.929 -50.082 16.028 1.00 2.23 H new ATOM 0 HD2 LYS A1097 -10.206 -48.648 15.176 1.00 11.30 H new ATOM 0 HD3 LYS A1097 -11.207 -47.219 15.329 1.00 11.30 H new ATOM 0 HE2 LYS A1097 -9.580 -47.251 17.143 1.00 51.35 H new ATOM 0 HE3 LYS A1097 -11.187 -47.468 17.808 1.00 51.35 H new ATOM 0 HZ1 LYS A1097 -9.571 -49.003 18.768 1.00 14.30 H new ATOM 0 HZ2 LYS A1097 -10.803 -49.841 17.955 1.00 14.30 H new ATOM 0 HZ3 LYS A1097 -9.272 -49.676 17.238 1.00 14.30 H new ATOM 752 N GLU A1098 -15.182 -48.293 12.734 1.00 44.42 N ATOM 753 CA GLU A1098 -15.825 -48.033 11.451 1.00 40.31 C ATOM 754 C GLU A1098 -14.932 -48.476 10.295 1.00 13.20 C ATOM 755 O GLU A1098 -15.405 -49.049 9.314 1.00 2.15 O ATOM 756 CB GLU A1098 -16.156 -46.546 11.313 1.00 24.13 C ATOM 757 CG GLU A1098 -17.432 -46.138 12.030 1.00 2.23 C ATOM 758 CD GLU A1098 -17.199 -45.806 13.492 1.00 31.25 C ATOM 759 OE1 GLU A1098 -16.119 -45.269 13.814 1.00 10.15 O ATOM 760 OE2 GLU A1098 -18.098 -46.086 14.313 1.00 24.33 O ATOM 0 H GLU A1098 -14.866 -47.457 13.224 1.00 44.42 H new ATOM 0 HA GLU A1098 -16.750 -48.608 11.414 1.00 40.31 H new ATOM 0 HB2 GLU A1098 -15.325 -45.959 11.705 1.00 24.13 H new ATOM 0 HB3 GLU A1098 -16.249 -46.300 10.255 1.00 24.13 H new ATOM 0 HG2 GLU A1098 -17.865 -45.272 11.529 1.00 2.23 H new ATOM 0 HG3 GLU A1098 -18.160 -46.946 11.956 1.00 2.23 H new ATOM 767 N LYS A1099 -13.637 -48.204 10.418 1.00 24.04 N ATOM 768 CA LYS A1099 -12.675 -48.574 9.386 1.00 14.22 C ATOM 769 C LYS A1099 -13.261 -48.355 7.994 1.00 23.35 C ATOM 770 O LYS A1099 -13.073 -49.176 7.096 1.00 1.22 O ATOM 771 CB LYS A1099 -12.256 -50.036 9.552 1.00 74.04 C ATOM 772 CG LYS A1099 -13.399 -51.020 9.373 1.00 22.32 C ATOM 773 CD LYS A1099 -12.917 -52.458 9.474 1.00 60.51 C ATOM 774 CE LYS A1099 -12.905 -52.942 10.916 1.00 62.35 C ATOM 775 NZ LYS A1099 -12.604 -54.397 11.010 1.00 32.42 N ATOM 0 H LYS A1099 -13.229 -47.728 11.223 1.00 24.04 H new ATOM 0 HA LYS A1099 -11.797 -47.937 9.496 1.00 14.22 H new ATOM 0 HB2 LYS A1099 -11.474 -50.265 8.829 1.00 74.04 H new ATOM 0 HB3 LYS A1099 -11.823 -50.171 10.543 1.00 74.04 H new ATOM 0 HG2 LYS A1099 -14.161 -50.836 10.131 1.00 22.32 H new ATOM 0 HG3 LYS A1099 -13.870 -50.860 8.403 1.00 22.32 H new ATOM 0 HD2 LYS A1099 -13.564 -53.102 8.878 1.00 60.51 H new ATOM 0 HD3 LYS A1099 -11.914 -52.537 9.054 1.00 60.51 H new ATOM 0 HE2 LYS A1099 -12.162 -52.380 11.481 1.00 62.35 H new ATOM 0 HE3 LYS A1099 -13.873 -52.741 11.375 1.00 62.35 H new ATOM 0 HZ1 LYS A1099 -12.605 -54.688 12.008 1.00 32.42 H new ATOM 0 HZ2 LYS A1099 -13.327 -54.935 10.492 1.00 32.42 H new ATOM 0 HZ3 LYS A1099 -11.669 -54.586 10.595 1.00 32.42 H new ATOM 789 N MET A1100 -13.971 -47.245 7.824 1.00 74.24 N ATOM 790 CA MET A1100 -14.580 -46.919 6.539 1.00 12.41 C ATOM 791 C MET A1100 -13.515 -46.588 5.500 1.00 51.12 C ATOM 792 O MET A1100 -13.292 -47.353 4.562 1.00 63.41 O ATOM 793 CB MET A1100 -15.544 -45.740 6.693 1.00 2.04 C ATOM 794 CG MET A1100 -16.965 -46.157 7.034 1.00 24.13 C ATOM 795 SD MET A1100 -18.078 -44.749 7.214 1.00 34.45 S ATOM 796 CE MET A1100 -19.565 -45.566 7.788 1.00 22.05 C ATOM 0 H MET A1100 -14.139 -46.557 8.558 1.00 74.24 H new ATOM 0 HA MET A1100 -15.136 -47.792 6.196 1.00 12.41 H new ATOM 0 HB2 MET A1100 -15.172 -45.077 7.474 1.00 2.04 H new ATOM 0 HB3 MET A1100 -15.555 -45.167 5.766 1.00 2.04 H new ATOM 0 HG2 MET A1100 -17.343 -46.817 6.253 1.00 24.13 H new ATOM 0 HG3 MET A1100 -16.959 -46.731 7.961 1.00 24.13 H new ATOM 0 HE1 MET A1100 -20.349 -44.826 7.946 1.00 22.05 H new ATOM 0 HE2 MET A1100 -19.894 -46.289 7.042 1.00 22.05 H new ATOM 0 HE3 MET A1100 -19.358 -46.081 8.726 1.00 22.05 H new ATOM 806 N GLU A1101 -12.862 -45.443 5.672 1.00 61.11 N ATOM 807 CA GLU A1101 -11.821 -45.011 4.747 1.00 42.14 C ATOM 808 C GLU A1101 -12.101 -45.521 3.336 1.00 34.14 C ATOM 809 O GLU A1101 -11.244 -46.141 2.707 1.00 42.24 O ATOM 810 CB GLU A1101 -10.452 -45.507 5.217 1.00 41.13 C ATOM 811 CG GLU A1101 -10.468 -46.930 5.747 1.00 11.02 C ATOM 812 CD GLU A1101 -10.449 -47.965 4.639 1.00 53.03 C ATOM 813 OE1 GLU A1101 -9.615 -47.835 3.718 1.00 3.43 O ATOM 814 OE2 GLU A1101 -11.269 -48.906 4.692 1.00 70.22 O ATOM 0 H GLU A1101 -13.035 -44.798 6.443 1.00 61.11 H new ATOM 0 HA GLU A1101 -11.818 -43.921 4.727 1.00 42.14 H new ATOM 0 HB2 GLU A1101 -9.748 -45.446 4.387 1.00 41.13 H new ATOM 0 HB3 GLU A1101 -10.083 -44.842 5.998 1.00 41.13 H new ATOM 0 HG2 GLU A1101 -9.605 -47.082 6.396 1.00 11.02 H new ATOM 0 HG3 GLU A1101 -11.357 -47.076 6.360 1.00 11.02 H new ATOM 821 N ALA A1102 -13.308 -45.257 2.847 1.00 54.43 N ATOM 822 CA ALA A1102 -13.701 -45.688 1.511 1.00 15.31 C ATOM 823 C ALA A1102 -12.955 -44.902 0.438 1.00 44.13 C ATOM 824 O ALA A1102 -13.180 -43.706 0.261 1.00 64.34 O ATOM 825 CB ALA A1102 -15.204 -45.535 1.328 1.00 31.03 C ATOM 0 H ALA A1102 -14.030 -44.747 3.356 1.00 54.43 H new ATOM 0 HA ALA A1102 -13.437 -46.740 1.404 1.00 15.31 H new ATOM 0 HB1 ALA A1102 -15.484 -45.860 0.326 1.00 31.03 H new ATOM 0 HB2 ALA A1102 -15.724 -46.145 2.066 1.00 31.03 H new ATOM 0 HB3 ALA A1102 -15.482 -44.489 1.461 1.00 31.03 H new ATOM 831 N GLY A1103 -12.063 -45.583 -0.275 1.00 63.21 N ATOM 832 CA GLY A1103 -11.295 -44.933 -1.321 1.00 42.02 C ATOM 833 C GLY A1103 -12.021 -44.923 -2.652 1.00 45.35 C ATOM 834 O GLY A1103 -13.247 -44.852 -2.664 1.00 11.43 O ATOM 0 H GLY A1103 -11.858 -46.574 -0.147 1.00 63.21 H new ATOM 0 HA2 GLY A1103 -11.075 -43.908 -1.023 1.00 42.02 H new ATOM 0 HA3 GLY A1103 -10.339 -45.443 -1.436 1.00 42.02 H new TER 838 GLY A1103