USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 TYR OH : rot 30:sc= 0.405 USER MOD Set 1.2: A 124 GLN : amide:sc= -3.07! K(o=-2.7!,f=-0.42) USER MOD Set 2.1: A 20 CYS SG : rot -110:sc= -1.57! USER MOD Set 2.2: A 71 TYR OH : rot 158:sc= -4.01! USER MOD Set 3.1: A 38 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.6) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.308 USER MOD Single : A 25 ASN : amide:sc= -0.0607 K(o=-0.061,f=-1.3!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -89:sc= 0.938 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.971 USER MOD Single : A 37 MET CE :methyl 179:sc= -1.21 (180deg=-1.23) USER MOD Single : A 42 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.55) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 10:sc= -1.43! USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc=-0.00817 (180deg=-0.035) USER MOD Single : A 67 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.86) USER MOD Single : A 70 CYS SG : rot 60:sc= -0.916 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.811) USER MOD Single : A 92 SER OG : rot 180:sc= -0.144 USER MOD Single : A 94 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.67) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 172:sc= 0.733 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 109 SER OG : rot -160:sc= -0.452 USER MOD Single : A 117 THR OG1 : rot 58:sc= 0.876 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.0618 K(o=-0.062,f=-0.61) USER MOD Single : A 126 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.38) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 81:sc= 1.11 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -5.431 7.629 -4.070 1.00 54.45 N ATOM 64 CA VAL A 14 -5.683 8.160 -2.736 1.00 24.12 C ATOM 65 C VAL A 14 -4.713 9.288 -2.401 1.00 60.23 C ATOM 66 O VAL A 14 -3.497 9.098 -2.409 1.00 62.44 O ATOM 67 CB VAL A 14 -5.564 7.061 -1.663 1.00 60.35 C ATOM 68 CG1 VAL A 14 -4.215 6.364 -1.760 1.00 12.15 C ATOM 69 CG2 VAL A 14 -5.773 7.647 -0.275 1.00 71.42 C ATOM 0 HA VAL A 14 -6.701 8.548 -2.737 1.00 24.12 H new ATOM 0 HB VAL A 14 -6.343 6.319 -1.839 1.00 60.35 H new ATOM 0 HG11 VAL A 14 -4.149 5.591 -0.994 1.00 12.15 H new ATOM 0 HG12 VAL A 14 -4.111 5.909 -2.745 1.00 12.15 H new ATOM 0 HG13 VAL A 14 -3.418 7.092 -1.610 1.00 12.15 H new ATOM 0 HG21 VAL A 14 -5.686 6.857 0.471 1.00 71.42 H new ATOM 0 HG22 VAL A 14 -5.018 8.410 -0.085 1.00 71.42 H new ATOM 0 HG23 VAL A 14 -6.765 8.095 -0.215 1.00 71.42 H new ATOM 79 N SER A 15 -5.260 10.463 -2.107 1.00 23.03 N ATOM 80 CA SER A 15 -4.443 11.624 -1.772 1.00 60.31 C ATOM 81 C SER A 15 -5.109 12.462 -0.685 1.00 74.14 C ATOM 82 O SER A 15 -6.322 12.673 -0.704 1.00 32.31 O ATOM 83 CB SER A 15 -4.202 12.480 -3.017 1.00 0.13 C ATOM 84 OG SER A 15 -2.897 12.277 -3.530 1.00 41.43 O ATOM 0 H SER A 15 -6.265 10.636 -2.094 1.00 23.03 H new ATOM 0 HA SER A 15 -3.485 11.267 -1.394 1.00 60.31 H new ATOM 0 HB2 SER A 15 -4.939 12.232 -3.781 1.00 0.13 H new ATOM 0 HB3 SER A 15 -4.340 13.533 -2.771 1.00 0.13 H new ATOM 0 HG SER A 15 -2.768 12.834 -4.326 1.00 41.43 H new ATOM 90 N VAL A 16 -4.307 12.938 0.262 1.00 71.05 N ATOM 91 CA VAL A 16 -4.817 13.754 1.357 1.00 52.34 C ATOM 92 C VAL A 16 -5.177 15.156 0.876 1.00 30.40 C ATOM 93 O VAL A 16 -4.378 15.821 0.218 1.00 54.14 O ATOM 94 CB VAL A 16 -3.792 13.863 2.500 1.00 5.34 C ATOM 95 CG1 VAL A 16 -2.509 14.517 2.008 1.00 73.43 C ATOM 96 CG2 VAL A 16 -4.379 14.638 3.670 1.00 10.22 C ATOM 0 H VAL A 16 -3.301 12.772 0.293 1.00 71.05 H new ATOM 0 HA VAL A 16 -5.714 13.259 1.730 1.00 52.34 H new ATOM 0 HB VAL A 16 -3.550 12.857 2.844 1.00 5.34 H new ATOM 0 HG11 VAL A 16 -1.797 14.585 2.830 1.00 73.43 H new ATOM 0 HG12 VAL A 16 -2.080 13.918 1.205 1.00 73.43 H new ATOM 0 HG13 VAL A 16 -2.730 15.517 1.636 1.00 73.43 H new ATOM 0 HG21 VAL A 16 -3.641 14.705 4.469 1.00 10.22 H new ATOM 0 HG22 VAL A 16 -4.651 15.641 3.342 1.00 10.22 H new ATOM 0 HG23 VAL A 16 -5.266 14.124 4.039 1.00 10.22 H new ATOM 106 N ALA A 17 -6.385 15.598 1.211 1.00 62.05 N ATOM 107 CA ALA A 17 -6.850 16.922 0.815 1.00 20.34 C ATOM 108 C ALA A 17 -6.279 18.000 1.730 1.00 22.10 C ATOM 109 O ALA A 17 -5.886 17.722 2.863 1.00 22.11 O ATOM 110 CB ALA A 17 -8.371 16.971 0.824 1.00 63.11 C ATOM 0 H ALA A 17 -7.059 15.059 1.755 1.00 62.05 H new ATOM 0 HA ALA A 17 -6.497 17.117 -0.198 1.00 20.34 H new ATOM 0 HB1 ALA A 17 -8.705 17.965 0.526 1.00 63.11 H new ATOM 0 HB2 ALA A 17 -8.763 16.232 0.125 1.00 63.11 H new ATOM 0 HB3 ALA A 17 -8.736 16.751 1.827 1.00 63.11 H new ATOM 116 N ASP A 18 -6.235 19.230 1.231 1.00 52.22 N ATOM 117 CA ASP A 18 -5.712 20.351 2.004 1.00 60.25 C ATOM 118 C ASP A 18 -6.470 20.505 3.319 1.00 64.24 C ATOM 119 O ASP A 18 -5.884 20.843 4.347 1.00 52.54 O ATOM 120 CB ASP A 18 -5.804 21.644 1.193 1.00 55.42 C ATOM 121 CG ASP A 18 -4.680 21.777 0.184 1.00 15.11 C ATOM 122 OD1 ASP A 18 -4.379 20.779 -0.504 1.00 20.14 O ATOM 123 OD2 ASP A 18 -4.103 22.879 0.082 1.00 41.33 O ATOM 0 H ASP A 18 -6.555 19.477 0.294 1.00 52.22 H new ATOM 0 HA ASP A 18 -4.665 20.147 2.231 1.00 60.25 H new ATOM 0 HB2 ASP A 18 -6.761 21.675 0.672 1.00 55.42 H new ATOM 0 HB3 ASP A 18 -5.782 22.497 1.871 1.00 55.42 H new ATOM 128 N GLU A 19 -7.775 20.255 3.277 1.00 64.32 N ATOM 129 CA GLU A 19 -8.612 20.368 4.465 1.00 22.13 C ATOM 130 C GLU A 19 -8.097 19.463 5.581 1.00 14.23 C ATOM 131 O GLU A 19 -8.024 19.871 6.741 1.00 22.02 O ATOM 132 CB GLU A 19 -10.061 20.010 4.131 1.00 35.01 C ATOM 133 CG GLU A 19 -10.220 18.634 3.507 1.00 32.42 C ATOM 134 CD GLU A 19 -10.537 17.562 4.532 1.00 73.32 C ATOM 135 OE1 GLU A 19 -11.236 17.872 5.519 1.00 20.01 O ATOM 136 OE2 GLU A 19 -10.086 16.412 4.345 1.00 35.05 O ATOM 0 H GLU A 19 -8.275 19.973 2.434 1.00 64.32 H new ATOM 0 HA GLU A 19 -8.571 21.401 4.810 1.00 22.13 H new ATOM 0 HB2 GLU A 19 -10.657 20.057 5.042 1.00 35.01 H new ATOM 0 HB3 GLU A 19 -10.463 20.758 3.448 1.00 35.01 H new ATOM 0 HG2 GLU A 19 -11.016 18.666 2.763 1.00 32.42 H new ATOM 0 HG3 GLU A 19 -9.302 18.369 2.982 1.00 32.42 H new ATOM 143 N CYS A 20 -7.744 18.234 5.223 1.00 43.14 N ATOM 144 CA CYS A 20 -7.237 17.270 6.193 1.00 13.22 C ATOM 145 C CYS A 20 -5.941 17.766 6.826 1.00 60.51 C ATOM 146 O CYS A 20 -5.763 17.691 8.042 1.00 61.43 O ATOM 147 CB CYS A 20 -7.007 15.914 5.524 1.00 0.40 C ATOM 148 SG CYS A 20 -6.364 14.642 6.636 1.00 2.12 S ATOM 0 H CYS A 20 -7.799 17.881 4.268 1.00 43.14 H new ATOM 0 HA CYS A 20 -7.983 17.156 6.979 1.00 13.22 H new ATOM 0 HB2 CYS A 20 -7.948 15.567 5.098 1.00 0.40 H new ATOM 0 HB3 CYS A 20 -6.310 16.043 4.696 1.00 0.40 H new ATOM 0 HG CYS A 20 -5.132 14.373 6.321 1.00 2.12 H new ATOM 154 N VAL A 21 -5.037 18.271 5.992 1.00 21.44 N ATOM 155 CA VAL A 21 -3.756 18.778 6.470 1.00 71.22 C ATOM 156 C VAL A 21 -3.952 19.913 7.468 1.00 13.03 C ATOM 157 O VAL A 21 -3.294 19.962 8.508 1.00 62.21 O ATOM 158 CB VAL A 21 -2.882 19.279 5.305 1.00 25.21 C ATOM 159 CG1 VAL A 21 -1.481 19.615 5.795 1.00 53.12 C ATOM 160 CG2 VAL A 21 -2.832 18.242 4.193 1.00 44.22 C ATOM 0 H VAL A 21 -5.168 18.340 4.983 1.00 21.44 H new ATOM 0 HA VAL A 21 -3.251 17.948 6.963 1.00 71.22 H new ATOM 0 HB VAL A 21 -3.329 20.188 4.903 1.00 25.21 H new ATOM 0 HG11 VAL A 21 -0.878 19.967 4.958 1.00 53.12 H new ATOM 0 HG12 VAL A 21 -1.538 20.395 6.555 1.00 53.12 H new ATOM 0 HG13 VAL A 21 -1.022 18.724 6.224 1.00 53.12 H new ATOM 0 HG21 VAL A 21 -2.210 18.612 3.378 1.00 44.22 H new ATOM 0 HG22 VAL A 21 -2.409 17.314 4.579 1.00 44.22 H new ATOM 0 HG23 VAL A 21 -3.841 18.055 3.824 1.00 44.22 H new ATOM 170 N THR A 22 -4.863 20.826 7.147 1.00 54.14 N ATOM 171 CA THR A 22 -5.147 21.962 8.015 1.00 43.14 C ATOM 172 C THR A 22 -5.708 21.503 9.355 1.00 31.04 C ATOM 173 O THR A 22 -5.272 21.961 10.411 1.00 13.21 O ATOM 174 CB THR A 22 -6.145 22.935 7.359 1.00 70.20 C ATOM 175 OG1 THR A 22 -5.649 23.360 6.085 1.00 54.33 O ATOM 176 CG2 THR A 22 -6.382 24.147 8.247 1.00 31.01 C ATOM 0 H THR A 22 -5.417 20.801 6.291 1.00 54.14 H new ATOM 0 HA THR A 22 -4.201 22.479 8.178 1.00 43.14 H new ATOM 0 HB THR A 22 -7.092 22.413 7.224 1.00 70.20 H new ATOM 0 HG1 THR A 22 -5.669 22.607 5.458 1.00 54.33 H new ATOM 0 HG21 THR A 22 -7.090 24.820 7.763 1.00 31.01 H new ATOM 0 HG22 THR A 22 -6.787 23.822 9.205 1.00 31.01 H new ATOM 0 HG23 THR A 22 -5.439 24.669 8.410 1.00 31.01 H new ATOM 184 N ALA A 23 -6.677 20.595 9.306 1.00 30.32 N ATOM 185 CA ALA A 23 -7.296 20.072 10.518 1.00 61.42 C ATOM 186 C ALA A 23 -6.257 19.432 11.433 1.00 72.44 C ATOM 187 O ALA A 23 -6.272 19.639 12.647 1.00 42.44 O ATOM 188 CB ALA A 23 -8.382 19.066 10.164 1.00 65.10 C ATOM 0 H ALA A 23 -7.050 20.206 8.440 1.00 30.32 H new ATOM 0 HA ALA A 23 -7.749 20.906 11.054 1.00 61.42 H new ATOM 0 HB1 ALA A 23 -8.836 18.684 11.078 1.00 65.10 H new ATOM 0 HB2 ALA A 23 -9.145 19.553 9.556 1.00 65.10 H new ATOM 0 HB3 ALA A 23 -7.944 18.240 9.603 1.00 65.10 H new ATOM 194 N LEU A 24 -5.357 18.652 10.843 1.00 0.45 N ATOM 195 CA LEU A 24 -4.310 17.981 11.606 1.00 32.20 C ATOM 196 C LEU A 24 -3.302 18.988 12.150 1.00 23.40 C ATOM 197 O LEU A 24 -2.736 18.795 13.225 1.00 24.30 O ATOM 198 CB LEU A 24 -3.597 16.949 10.731 1.00 64.11 C ATOM 199 CG LEU A 24 -4.484 15.875 10.101 1.00 22.51 C ATOM 200 CD1 LEU A 24 -3.856 15.347 8.820 1.00 2.14 C ATOM 201 CD2 LEU A 24 -4.727 14.739 11.085 1.00 43.30 C ATOM 0 H LEU A 24 -5.331 18.469 9.840 1.00 0.45 H new ATOM 0 HA LEU A 24 -4.778 17.472 12.449 1.00 32.20 H new ATOM 0 HB2 LEU A 24 -3.077 17.477 9.932 1.00 64.11 H new ATOM 0 HB3 LEU A 24 -2.836 16.455 11.334 1.00 64.11 H new ATOM 0 HG LEU A 24 -5.445 16.325 9.852 1.00 22.51 H new ATOM 0 HD11 LEU A 24 -4.502 14.584 8.386 1.00 2.14 H new ATOM 0 HD12 LEU A 24 -3.734 16.165 8.110 1.00 2.14 H new ATOM 0 HD13 LEU A 24 -2.882 14.913 9.044 1.00 2.14 H new ATOM 0 HD21 LEU A 24 -5.360 13.984 10.620 1.00 43.30 H new ATOM 0 HD22 LEU A 24 -3.774 14.291 11.366 1.00 43.30 H new ATOM 0 HD23 LEU A 24 -5.221 15.128 11.975 1.00 43.30 H new ATOM 213 N ASN A 25 -3.084 20.063 11.400 1.00 0.34 N ATOM 214 CA ASN A 25 -2.145 21.102 11.808 1.00 21.14 C ATOM 215 C ASN A 25 -2.634 21.815 13.065 1.00 34.44 C ATOM 216 O ASN A 25 -1.871 22.027 14.008 1.00 52.53 O ATOM 217 CB ASN A 25 -1.949 22.114 10.678 1.00 52.30 C ATOM 218 CG ASN A 25 -0.661 22.901 10.823 1.00 62.21 C ATOM 219 OD1 ASN A 25 0.328 22.401 11.360 1.00 34.22 O ATOM 220 ND2 ASN A 25 -0.666 24.139 10.343 1.00 35.00 N ATOM 0 H ASN A 25 -3.544 20.238 10.507 1.00 0.34 H new ATOM 0 HA ASN A 25 -1.190 20.626 12.030 1.00 21.14 H new ATOM 0 HB2 ASN A 25 -1.946 21.591 9.722 1.00 52.30 H new ATOM 0 HB3 ASN A 25 -2.793 22.804 10.661 1.00 52.30 H new ATOM 0 HD21 ASN A 25 0.172 24.716 10.412 1.00 35.00 H new ATOM 0 HD22 ASN A 25 -1.508 24.513 9.906 1.00 35.00 H new ATOM 227 N ASP A 26 -3.912 22.180 13.072 1.00 45.10 N ATOM 228 CA ASP A 26 -4.504 22.867 14.214 1.00 52.45 C ATOM 229 C ASP A 26 -4.652 21.921 15.401 1.00 61.02 C ATOM 230 O ASP A 26 -4.442 22.312 16.550 1.00 64.31 O ATOM 231 CB ASP A 26 -5.868 23.447 13.835 1.00 42.40 C ATOM 232 CG ASP A 26 -7.001 22.470 14.079 1.00 63.10 C ATOM 233 OD1 ASP A 26 -7.399 22.304 15.251 1.00 32.50 O ATOM 234 OD2 ASP A 26 -7.489 21.872 13.098 1.00 74.01 O ATOM 0 H ASP A 26 -4.557 22.012 12.300 1.00 45.10 H new ATOM 0 HA ASP A 26 -3.838 23.681 14.502 1.00 52.45 H new ATOM 0 HB2 ASP A 26 -6.046 24.356 14.410 1.00 42.40 H new ATOM 0 HB3 ASP A 26 -5.859 23.732 12.783 1.00 42.40 H new ATOM 239 N LEU A 27 -5.016 20.675 15.116 1.00 2.52 N ATOM 240 CA LEU A 27 -5.193 19.673 16.161 1.00 70.54 C ATOM 241 C LEU A 27 -3.867 19.360 16.846 1.00 22.01 C ATOM 242 O LEU A 27 -3.825 19.097 18.048 1.00 2.11 O ATOM 243 CB LEU A 27 -5.789 18.393 15.571 1.00 52.33 C ATOM 244 CG LEU A 27 -5.767 17.162 16.477 1.00 12.35 C ATOM 245 CD1 LEU A 27 -7.183 16.697 16.780 1.00 20.04 C ATOM 246 CD2 LEU A 27 -4.961 16.042 15.836 1.00 33.13 C ATOM 0 H LEU A 27 -5.194 20.335 14.171 1.00 2.52 H new ATOM 0 HA LEU A 27 -5.879 20.077 16.905 1.00 70.54 H new ATOM 0 HB2 LEU A 27 -6.823 18.594 15.290 1.00 52.33 H new ATOM 0 HB3 LEU A 27 -5.250 18.154 14.654 1.00 52.33 H new ATOM 0 HG LEU A 27 -5.287 17.435 17.417 1.00 12.35 H new ATOM 0 HD11 LEU A 27 -7.147 15.820 17.426 1.00 20.04 H new ATOM 0 HD12 LEU A 27 -7.729 17.496 17.282 1.00 20.04 H new ATOM 0 HD13 LEU A 27 -7.689 16.442 15.849 1.00 20.04 H new ATOM 0 HD21 LEU A 27 -4.956 15.174 16.495 1.00 33.13 H new ATOM 0 HD22 LEU A 27 -5.411 15.770 14.881 1.00 33.13 H new ATOM 0 HD23 LEU A 27 -3.937 16.378 15.672 1.00 33.13 H new ATOM 258 N ARG A 28 -2.785 19.393 16.074 1.00 35.41 N ATOM 259 CA ARG A 28 -1.457 19.114 16.607 1.00 35.22 C ATOM 260 C ARG A 28 -1.066 20.148 17.659 1.00 22.40 C ATOM 261 O ARG A 28 -0.238 19.879 18.531 1.00 53.24 O ATOM 262 CB ARG A 28 -0.424 19.101 15.479 1.00 11.43 C ATOM 263 CG ARG A 28 -0.402 17.804 14.688 1.00 23.10 C ATOM 264 CD ARG A 28 0.247 17.993 13.326 1.00 52.34 C ATOM 265 NE ARG A 28 -0.317 17.095 12.321 1.00 0.15 N ATOM 266 CZ ARG A 28 -0.003 17.145 11.032 1.00 52.23 C ATOM 267 NH1 ARG A 28 0.866 18.045 10.592 1.00 54.12 N ATOM 268 NH2 ARG A 28 -0.558 16.294 10.179 1.00 75.40 N ATOM 0 H ARG A 28 -2.802 19.610 15.078 1.00 35.41 H new ATOM 0 HA ARG A 28 -1.481 18.132 17.079 1.00 35.22 H new ATOM 0 HB2 ARG A 28 -0.630 19.928 14.799 1.00 11.43 H new ATOM 0 HB3 ARG A 28 0.565 19.276 15.902 1.00 11.43 H new ATOM 0 HG2 ARG A 28 0.142 17.044 15.249 1.00 23.10 H new ATOM 0 HG3 ARG A 28 -1.421 17.438 14.559 1.00 23.10 H new ATOM 0 HD2 ARG A 28 0.117 19.026 13.003 1.00 52.34 H new ATOM 0 HD3 ARG A 28 1.320 17.817 13.408 1.00 52.34 H new ATOM 0 HE ARG A 28 -0.989 16.391 12.626 1.00 0.15 H new ATOM 0 HH11 ARG A 28 1.295 18.701 11.244 1.00 54.12 H new ATOM 0 HH12 ARG A 28 1.105 18.081 9.601 1.00 54.12 H new ATOM 0 HH21 ARG A 28 -1.227 15.600 10.513 1.00 75.40 H new ATOM 0 HH22 ARG A 28 -0.316 16.334 9.189 1.00 75.40 H new ATOM 282 N HIS A 29 -1.666 21.331 17.571 1.00 65.42 N ATOM 283 CA HIS A 29 -1.380 22.405 18.515 1.00 45.12 C ATOM 284 C HIS A 29 -2.281 22.304 19.742 1.00 42.52 C ATOM 285 O HIS A 29 -2.342 23.225 20.557 1.00 33.34 O ATOM 286 CB HIS A 29 -1.564 23.766 17.842 1.00 22.24 C ATOM 287 CG HIS A 29 -0.351 24.641 17.920 1.00 51.32 C ATOM 288 ND1 HIS A 29 0.701 24.549 17.034 1.00 44.33 N ATOM 289 CD2 HIS A 29 -0.028 25.631 18.784 1.00 3.42 C ATOM 290 CE1 HIS A 29 1.620 25.444 17.351 1.00 65.32 C ATOM 291 NE2 HIS A 29 1.202 26.114 18.409 1.00 21.23 N ATOM 0 H HIS A 29 -2.353 21.570 16.856 1.00 65.42 H new ATOM 0 HA HIS A 29 -0.344 22.305 18.838 1.00 45.12 H new ATOM 0 HB2 HIS A 29 -1.824 23.612 16.795 1.00 22.24 H new ATOM 0 HB3 HIS A 29 -2.404 24.281 18.307 1.00 22.24 H new ATOM 0 HD2 HIS A 29 -0.626 25.977 19.614 1.00 3.42 H new ATOM 0 HE1 HIS A 29 2.554 25.601 16.833 1.00 65.32 H new ATOM 0 HE2 HIS A 29 1.710 26.868 18.872 1.00 21.23 H new ATOM 299 N LYS A 30 -2.979 21.181 19.866 1.00 15.21 N ATOM 300 CA LYS A 30 -3.878 20.959 20.993 1.00 25.11 C ATOM 301 C LYS A 30 -5.000 21.992 21.006 1.00 22.15 C ATOM 302 O LYS A 30 -5.475 22.394 22.069 1.00 43.43 O ATOM 303 CB LYS A 30 -3.100 21.017 22.310 1.00 14.42 C ATOM 304 CG LYS A 30 -1.785 20.259 22.274 1.00 3.33 C ATOM 305 CD LYS A 30 -0.596 21.203 22.340 1.00 65.10 C ATOM 306 CE LYS A 30 -0.029 21.289 23.749 1.00 33.31 C ATOM 307 NZ LYS A 30 -0.239 22.635 24.350 1.00 31.01 N ATOM 0 H LYS A 30 -2.940 20.410 19.200 1.00 15.21 H new ATOM 0 HA LYS A 30 -4.322 19.969 20.883 1.00 25.11 H new ATOM 0 HB2 LYS A 30 -2.902 22.059 22.560 1.00 14.42 H new ATOM 0 HB3 LYS A 30 -3.722 20.611 23.108 1.00 14.42 H new ATOM 0 HG2 LYS A 30 -1.743 19.561 23.110 1.00 3.33 H new ATOM 0 HG3 LYS A 30 -1.730 19.667 21.361 1.00 3.33 H new ATOM 0 HD2 LYS A 30 0.180 20.861 21.655 1.00 65.10 H new ATOM 0 HD3 LYS A 30 -0.900 22.196 22.008 1.00 65.10 H new ATOM 0 HE2 LYS A 30 -0.501 20.533 24.377 1.00 33.31 H new ATOM 0 HE3 LYS A 30 1.037 21.064 23.726 1.00 33.31 H new ATOM 0 HZ1 LYS A 30 0.161 22.653 25.310 1.00 31.01 H new ATOM 0 HZ2 LYS A 30 0.232 23.354 23.765 1.00 31.01 H new ATOM 0 HZ3 LYS A 30 -1.258 22.840 24.396 1.00 31.01 H new ATOM 321 N LYS A 31 -5.421 22.417 19.820 1.00 20.40 N ATOM 322 CA LYS A 31 -6.490 23.401 19.694 1.00 24.52 C ATOM 323 C LYS A 31 -7.854 22.752 19.903 1.00 71.41 C ATOM 324 O LYS A 31 -8.439 22.846 20.982 1.00 5.52 O ATOM 325 CB LYS A 31 -6.436 24.069 18.319 1.00 60.04 C ATOM 326 CG LYS A 31 -5.367 25.142 18.205 1.00 13.31 C ATOM 327 CD LYS A 31 -4.738 25.159 16.822 1.00 33.10 C ATOM 328 CE LYS A 31 -4.877 26.523 16.163 1.00 24.21 C ATOM 329 NZ LYS A 31 -3.686 27.382 16.412 1.00 51.22 N ATOM 0 H LYS A 31 -5.038 22.095 18.931 1.00 20.40 H new ATOM 0 HA LYS A 31 -6.346 24.158 20.465 1.00 24.52 H new ATOM 0 HB2 LYS A 31 -6.256 23.307 17.561 1.00 60.04 H new ATOM 0 HB3 LYS A 31 -7.408 24.512 18.101 1.00 60.04 H new ATOM 0 HG2 LYS A 31 -5.805 26.117 18.418 1.00 13.31 H new ATOM 0 HG3 LYS A 31 -4.595 24.969 18.955 1.00 13.31 H new ATOM 0 HD2 LYS A 31 -3.683 24.896 16.898 1.00 33.10 H new ATOM 0 HD3 LYS A 31 -5.211 24.402 16.197 1.00 33.10 H new ATOM 0 HE2 LYS A 31 -5.015 26.395 15.089 1.00 24.21 H new ATOM 0 HE3 LYS A 31 -5.770 27.021 16.542 1.00 24.21 H new ATOM 0 HZ1 LYS A 31 -3.819 28.303 15.947 1.00 51.22 H new ATOM 0 HZ2 LYS A 31 -3.569 27.525 17.435 1.00 51.22 H new ATOM 0 HZ3 LYS A 31 -2.838 26.919 16.028 1.00 51.22 H new ATOM 343 N SER A 32 -8.355 22.091 18.864 1.00 15.21 N ATOM 344 CA SER A 32 -9.652 21.428 18.933 1.00 15.33 C ATOM 345 C SER A 32 -9.618 20.269 19.925 1.00 1.50 C ATOM 346 O SER A 32 -9.808 20.460 21.126 1.00 2.34 O ATOM 347 CB SER A 32 -10.063 20.919 17.550 1.00 31.04 C ATOM 348 OG SER A 32 -8.933 20.505 16.803 1.00 24.21 O ATOM 0 H SER A 32 -7.882 22.000 17.965 1.00 15.21 H new ATOM 0 HA SER A 32 -10.386 22.156 19.277 1.00 15.33 H new ATOM 0 HB2 SER A 32 -10.757 20.086 17.657 1.00 31.04 H new ATOM 0 HB3 SER A 32 -10.591 21.706 17.011 1.00 31.04 H new ATOM 0 HG SER A 32 -8.576 21.267 16.300 1.00 24.21 H new ATOM 354 N ARG A 33 -9.374 19.068 19.413 1.00 73.43 N ATOM 355 CA ARG A 33 -9.316 17.877 20.252 1.00 61.11 C ATOM 356 C ARG A 33 -9.086 16.627 19.407 1.00 5.21 C ATOM 357 O ARG A 33 -8.063 15.955 19.541 1.00 20.32 O ATOM 358 CB ARG A 33 -10.609 17.730 21.057 1.00 44.33 C ATOM 359 CG ARG A 33 -10.379 17.492 22.540 1.00 3.12 C ATOM 360 CD ARG A 33 -10.674 18.740 23.357 1.00 2.41 C ATOM 361 NE ARG A 33 -11.234 18.418 24.667 1.00 61.33 N ATOM 362 CZ ARG A 33 -11.213 19.252 25.701 1.00 71.55 C ATOM 363 NH1 ARG A 33 -10.663 20.452 25.577 1.00 34.25 N ATOM 364 NH2 ARG A 33 -11.743 18.885 26.860 1.00 13.45 N ATOM 0 H ARG A 33 -9.213 18.893 18.421 1.00 73.43 H new ATOM 0 HA ARG A 33 -8.478 17.989 20.940 1.00 61.11 H new ATOM 0 HB2 ARG A 33 -11.210 18.631 20.931 1.00 44.33 H new ATOM 0 HB3 ARG A 33 -11.188 16.901 20.650 1.00 44.33 H new ATOM 0 HG2 ARG A 33 -11.014 16.674 22.881 1.00 3.12 H new ATOM 0 HG3 ARG A 33 -9.346 17.184 22.704 1.00 3.12 H new ATOM 0 HD2 ARG A 33 -9.756 19.314 23.486 1.00 2.41 H new ATOM 0 HD3 ARG A 33 -11.372 19.374 22.811 1.00 2.41 H new ATOM 0 HE ARG A 33 -11.665 17.502 24.795 1.00 61.33 H new ATOM 0 HH11 ARG A 33 -10.255 20.736 24.686 1.00 34.25 H new ATOM 0 HH12 ARG A 33 -10.648 21.091 26.372 1.00 34.25 H new ATOM 0 HH21 ARG A 33 -12.167 17.962 26.958 1.00 13.45 H new ATOM 0 HH22 ARG A 33 -11.727 19.525 27.654 1.00 13.45 H new ATOM 378 N TYR A 34 -10.043 16.322 18.538 1.00 3.41 N ATOM 379 CA TYR A 34 -9.946 15.152 17.674 1.00 41.24 C ATOM 380 C TYR A 34 -10.545 15.438 16.300 1.00 15.32 C ATOM 381 O TYR A 34 -11.536 16.159 16.180 1.00 11.31 O ATOM 382 CB TYR A 34 -10.657 13.959 18.314 1.00 24.32 C ATOM 383 CG TYR A 34 -11.851 14.346 19.157 1.00 43.11 C ATOM 384 CD1 TYR A 34 -13.061 14.689 18.566 1.00 23.10 C ATOM 385 CD2 TYR A 34 -11.769 14.370 20.544 1.00 41.24 C ATOM 386 CE1 TYR A 34 -14.154 15.044 19.332 1.00 53.22 C ATOM 387 CE2 TYR A 34 -12.858 14.723 21.317 1.00 23.33 C ATOM 388 CZ TYR A 34 -14.048 15.059 20.707 1.00 41.11 C ATOM 389 OH TYR A 34 -15.134 15.412 21.474 1.00 14.21 O ATOM 0 H TYR A 34 -10.895 16.869 18.413 1.00 3.41 H new ATOM 0 HA TYR A 34 -8.890 14.912 17.547 1.00 41.24 H new ATOM 0 HB2 TYR A 34 -10.983 13.277 17.529 1.00 24.32 H new ATOM 0 HB3 TYR A 34 -9.946 13.414 18.935 1.00 24.32 H new ATOM 0 HD1 TYR A 34 -13.148 14.678 17.490 1.00 23.10 H new ATOM 0 HD2 TYR A 34 -10.838 14.108 21.026 1.00 41.24 H new ATOM 0 HE1 TYR A 34 -15.087 15.309 18.857 1.00 53.22 H new ATOM 0 HE2 TYR A 34 -12.778 14.736 22.394 1.00 23.33 H new ATOM 0 HH TYR A 34 -14.892 15.370 22.423 1.00 14.21 H new ATOM 399 N VAL A 35 -9.937 14.867 15.266 1.00 73.24 N ATOM 400 CA VAL A 35 -10.411 15.058 13.900 1.00 65.42 C ATOM 401 C VAL A 35 -10.550 13.724 13.175 1.00 32.31 C ATOM 402 O VAL A 35 -9.567 13.011 12.971 1.00 50.03 O ATOM 403 CB VAL A 35 -9.461 15.968 13.099 1.00 65.44 C ATOM 404 CG1 VAL A 35 -10.051 16.287 11.734 1.00 73.22 C ATOM 405 CG2 VAL A 35 -9.166 17.243 13.873 1.00 14.41 C ATOM 0 H VAL A 35 -9.115 14.268 15.348 1.00 73.24 H new ATOM 0 HA VAL A 35 -11.389 15.535 13.968 1.00 65.42 H new ATOM 0 HB VAL A 35 -8.521 15.438 12.946 1.00 65.44 H new ATOM 0 HG11 VAL A 35 -9.366 16.931 11.183 1.00 73.22 H new ATOM 0 HG12 VAL A 35 -10.205 15.362 11.179 1.00 73.22 H new ATOM 0 HG13 VAL A 35 -11.006 16.797 11.861 1.00 73.22 H new ATOM 0 HG21 VAL A 35 -8.493 17.874 13.292 1.00 14.41 H new ATOM 0 HG22 VAL A 35 -10.097 17.779 14.059 1.00 14.41 H new ATOM 0 HG23 VAL A 35 -8.696 16.991 14.824 1.00 14.41 H new ATOM 415 N ILE A 36 -11.778 13.392 12.789 1.00 45.34 N ATOM 416 CA ILE A 36 -12.045 12.144 12.085 1.00 54.31 C ATOM 417 C ILE A 36 -12.248 12.387 10.593 1.00 34.12 C ATOM 418 O ILE A 36 -13.026 13.254 10.195 1.00 32.43 O ATOM 419 CB ILE A 36 -13.289 11.434 12.652 1.00 42.01 C ATOM 420 CG1 ILE A 36 -13.299 11.518 14.180 1.00 41.34 C ATOM 421 CG2 ILE A 36 -13.324 9.983 12.196 1.00 51.13 C ATOM 422 CD1 ILE A 36 -14.425 10.737 14.820 1.00 3.24 C ATOM 0 H ILE A 36 -12.603 13.970 12.952 1.00 45.34 H new ATOM 0 HA ILE A 36 -11.174 11.506 12.231 1.00 54.31 H new ATOM 0 HB ILE A 36 -14.180 11.935 12.273 1.00 42.01 H new ATOM 0 HG12 ILE A 36 -12.348 11.148 14.562 1.00 41.34 H new ATOM 0 HG13 ILE A 36 -13.377 12.564 14.478 1.00 41.34 H new ATOM 0 HG21 ILE A 36 -14.209 9.494 12.605 1.00 51.13 H new ATOM 0 HG22 ILE A 36 -13.358 9.945 11.107 1.00 51.13 H new ATOM 0 HG23 ILE A 36 -12.430 9.469 12.549 1.00 51.13 H new ATOM 0 HD11 ILE A 36 -14.370 10.841 15.904 1.00 3.24 H new ATOM 0 HD12 ILE A 36 -15.382 11.122 14.466 1.00 3.24 H new ATOM 0 HD13 ILE A 36 -14.336 9.684 14.552 1.00 3.24 H new ATOM 434 N MET A 37 -11.545 11.614 9.772 1.00 4.14 N ATOM 435 CA MET A 37 -11.650 11.743 8.324 1.00 51.14 C ATOM 436 C MET A 37 -11.710 10.372 7.659 1.00 71.44 C ATOM 437 O MET A 37 -11.247 9.378 8.220 1.00 71.15 O ATOM 438 CB MET A 37 -10.465 12.538 7.773 1.00 4.24 C ATOM 439 CG MET A 37 -9.166 12.289 8.523 1.00 44.34 C ATOM 440 SD MET A 37 -8.890 13.479 9.850 1.00 72.44 S ATOM 441 CE MET A 37 -7.624 12.639 10.799 1.00 53.40 C ATOM 0 H MET A 37 -10.896 10.892 10.085 1.00 4.14 H new ATOM 0 HA MET A 37 -12.573 12.278 8.099 1.00 51.14 H new ATOM 0 HB2 MET A 37 -10.323 12.283 6.723 1.00 4.24 H new ATOM 0 HB3 MET A 37 -10.701 13.601 7.814 1.00 4.24 H new ATOM 0 HG2 MET A 37 -9.179 11.282 8.940 1.00 44.34 H new ATOM 0 HG3 MET A 37 -8.332 12.333 7.822 1.00 44.34 H new ATOM 0 HE1 MET A 37 -7.333 13.259 11.647 1.00 53.40 H new ATOM 0 HE2 MET A 37 -8.012 11.687 11.162 1.00 53.40 H new ATOM 0 HE3 MET A 37 -6.755 12.459 10.167 1.00 53.40 H new ATOM 451 N HIS A 38 -12.284 10.324 6.460 1.00 5.43 N ATOM 452 CA HIS A 38 -12.404 9.074 5.719 1.00 44.01 C ATOM 453 C HIS A 38 -12.029 9.273 4.253 1.00 12.33 C ATOM 454 O HIS A 38 -11.885 10.404 3.788 1.00 4.22 O ATOM 455 CB HIS A 38 -13.828 8.529 5.824 1.00 52.11 C ATOM 456 CG HIS A 38 -14.826 9.303 5.019 1.00 15.45 C ATOM 457 ND1 HIS A 38 -15.723 8.708 4.158 1.00 74.20 N ATOM 458 CD2 HIS A 38 -15.067 10.634 4.951 1.00 75.44 C ATOM 459 CE1 HIS A 38 -16.472 9.638 3.593 1.00 43.24 C ATOM 460 NE2 HIS A 38 -16.094 10.816 4.057 1.00 71.40 N ATOM 0 H HIS A 38 -12.673 11.137 5.982 1.00 5.43 H new ATOM 0 HA HIS A 38 -11.714 8.353 6.157 1.00 44.01 H new ATOM 0 HB2 HIS A 38 -13.836 7.490 5.495 1.00 52.11 H new ATOM 0 HB3 HIS A 38 -14.134 8.535 6.870 1.00 52.11 H new ATOM 0 HD2 HIS A 38 -14.549 11.408 5.498 1.00 75.44 H new ATOM 0 HE1 HIS A 38 -17.259 9.465 2.874 1.00 43.24 H new ATOM 0 HE2 HIS A 38 -16.499 11.714 3.794 1.00 71.40 H new ATOM 468 N ILE A 39 -11.873 8.168 3.532 1.00 12.41 N ATOM 469 CA ILE A 39 -11.516 8.223 2.120 1.00 71.41 C ATOM 470 C ILE A 39 -12.755 8.383 1.245 1.00 1.14 C ATOM 471 O ILE A 39 -13.708 7.612 1.353 1.00 35.01 O ATOM 472 CB ILE A 39 -10.754 6.958 1.683 1.00 25.21 C ATOM 473 CG1 ILE A 39 -9.651 6.627 2.691 1.00 34.44 C ATOM 474 CG2 ILE A 39 -10.167 7.147 0.292 1.00 31.21 C ATOM 475 CD1 ILE A 39 -8.903 5.352 2.371 1.00 21.44 C ATOM 0 H ILE A 39 -11.988 7.224 3.902 1.00 12.41 H new ATOM 0 HA ILE A 39 -10.869 9.091 1.992 1.00 71.41 H new ATOM 0 HB ILE A 39 -11.454 6.123 1.651 1.00 25.21 H new ATOM 0 HG12 ILE A 39 -8.943 7.455 2.727 1.00 34.44 H new ATOM 0 HG13 ILE A 39 -10.092 6.541 3.684 1.00 34.44 H new ATOM 0 HG21 ILE A 39 -9.632 6.244 -0.003 1.00 31.21 H new ATOM 0 HG22 ILE A 39 -10.970 7.341 -0.419 1.00 31.21 H new ATOM 0 HG23 ILE A 39 -9.478 7.992 0.300 1.00 31.21 H new ATOM 0 HD11 ILE A 39 -8.137 5.180 3.127 1.00 21.44 H new ATOM 0 HD12 ILE A 39 -9.600 4.514 2.363 1.00 21.44 H new ATOM 0 HD13 ILE A 39 -8.433 5.442 1.392 1.00 21.44 H new ATOM 487 N VAL A 40 -12.733 9.390 0.377 1.00 33.42 N ATOM 488 CA VAL A 40 -13.853 9.650 -0.519 1.00 54.20 C ATOM 489 C VAL A 40 -13.501 9.291 -1.958 1.00 60.30 C ATOM 490 O VAL A 40 -12.480 9.732 -2.487 1.00 35.22 O ATOM 491 CB VAL A 40 -14.286 11.127 -0.462 1.00 11.32 C ATOM 492 CG1 VAL A 40 -15.453 11.379 -1.405 1.00 45.20 C ATOM 493 CG2 VAL A 40 -14.647 11.522 0.963 1.00 62.55 C ATOM 0 H VAL A 40 -11.952 10.038 0.276 1.00 33.42 H new ATOM 0 HA VAL A 40 -14.679 9.023 -0.183 1.00 54.20 H new ATOM 0 HB VAL A 40 -13.449 11.745 -0.785 1.00 11.32 H new ATOM 0 HG11 VAL A 40 -15.745 12.428 -1.351 1.00 45.20 H new ATOM 0 HG12 VAL A 40 -15.155 11.138 -2.425 1.00 45.20 H new ATOM 0 HG13 VAL A 40 -16.297 10.752 -1.115 1.00 45.20 H new ATOM 0 HG21 VAL A 40 -14.951 12.569 0.985 1.00 62.55 H new ATOM 0 HG22 VAL A 40 -15.468 10.899 1.316 1.00 62.55 H new ATOM 0 HG23 VAL A 40 -13.781 11.382 1.610 1.00 62.55 H new ATOM 503 N ASP A 41 -14.352 8.488 -2.587 1.00 32.44 N ATOM 504 CA ASP A 41 -14.132 8.069 -3.966 1.00 50.32 C ATOM 505 C ASP A 41 -12.840 7.268 -4.091 1.00 72.44 C ATOM 506 O ASP A 41 -12.319 7.081 -5.191 1.00 0.45 O ATOM 507 CB ASP A 41 -14.082 9.288 -4.889 1.00 72.23 C ATOM 508 CG ASP A 41 -15.162 9.253 -5.953 1.00 13.34 C ATOM 509 OD1 ASP A 41 -15.101 8.368 -6.831 1.00 41.54 O ATOM 510 OD2 ASP A 41 -16.068 10.112 -5.906 1.00 75.34 O ATOM 0 H ASP A 41 -15.201 8.114 -2.163 1.00 32.44 H new ATOM 0 HA ASP A 41 -14.964 7.431 -4.263 1.00 50.32 H new ATOM 0 HB2 ASP A 41 -14.191 10.195 -4.294 1.00 72.23 H new ATOM 0 HB3 ASP A 41 -13.105 9.337 -5.369 1.00 72.23 H new ATOM 515 N GLN A 42 -12.330 6.797 -2.958 1.00 44.11 N ATOM 516 CA GLN A 42 -11.098 6.017 -2.942 1.00 3.23 C ATOM 517 C GLN A 42 -10.005 6.708 -3.751 1.00 11.31 C ATOM 518 O GLN A 42 -9.147 6.053 -4.342 1.00 64.10 O ATOM 519 CB GLN A 42 -11.350 4.614 -3.497 1.00 1.41 C ATOM 520 CG GLN A 42 -12.552 3.921 -2.876 1.00 51.40 C ATOM 521 CD GLN A 42 -13.837 4.190 -3.635 1.00 23.11 C ATOM 522 OE1 GLN A 42 -13.920 3.954 -4.841 1.00 2.34 O ATOM 523 NE2 GLN A 42 -14.848 4.685 -2.931 1.00 42.51 N ATOM 0 H GLN A 42 -12.750 6.942 -2.040 1.00 44.11 H new ATOM 0 HA GLN A 42 -10.763 5.936 -1.908 1.00 3.23 H new ATOM 0 HB2 GLN A 42 -11.496 4.680 -4.575 1.00 1.41 H new ATOM 0 HB3 GLN A 42 -10.463 4.002 -3.332 1.00 1.41 H new ATOM 0 HG2 GLN A 42 -12.371 2.847 -2.845 1.00 51.40 H new ATOM 0 HG3 GLN A 42 -12.667 4.255 -1.845 1.00 51.40 H new ATOM 0 HE21 GLN A 42 -14.735 4.865 -1.933 1.00 42.51 H new ATOM 0 HE22 GLN A 42 -15.738 4.885 -3.388 1.00 42.51 H new ATOM 532 N LYS A 43 -10.043 8.036 -3.774 1.00 1.24 N ATOM 533 CA LYS A 43 -9.056 8.818 -4.509 1.00 60.22 C ATOM 534 C LYS A 43 -8.678 10.080 -3.740 1.00 72.31 C ATOM 535 O LYS A 43 -7.508 10.459 -3.687 1.00 72.30 O ATOM 536 CB LYS A 43 -9.598 9.193 -5.890 1.00 75.43 C ATOM 537 CG LYS A 43 -8.787 8.618 -7.039 1.00 14.22 C ATOM 538 CD LYS A 43 -9.616 8.510 -8.308 1.00 14.14 C ATOM 539 CE LYS A 43 -9.407 7.171 -8.998 1.00 45.32 C ATOM 540 NZ LYS A 43 -10.219 7.054 -10.240 1.00 53.55 N ATOM 0 H LYS A 43 -10.748 8.594 -3.291 1.00 1.24 H new ATOM 0 HA LYS A 43 -8.162 8.206 -4.630 1.00 60.22 H new ATOM 0 HB2 LYS A 43 -10.628 8.845 -5.974 1.00 75.43 H new ATOM 0 HB3 LYS A 43 -9.620 10.279 -5.980 1.00 75.43 H new ATOM 0 HG2 LYS A 43 -7.918 9.249 -7.224 1.00 14.22 H new ATOM 0 HG3 LYS A 43 -8.412 7.632 -6.763 1.00 14.22 H new ATOM 0 HD2 LYS A 43 -10.671 8.635 -8.066 1.00 14.14 H new ATOM 0 HD3 LYS A 43 -9.347 9.317 -8.989 1.00 14.14 H new ATOM 0 HE2 LYS A 43 -8.352 7.049 -9.241 1.00 45.32 H new ATOM 0 HE3 LYS A 43 -9.672 6.365 -8.314 1.00 45.32 H new ATOM 0 HZ1 LYS A 43 -10.048 6.127 -10.680 1.00 53.55 H new ATOM 0 HZ2 LYS A 43 -11.228 7.145 -10.005 1.00 53.55 H new ATOM 0 HZ3 LYS A 43 -9.949 7.808 -10.904 1.00 53.55 H new ATOM 554 N SER A 44 -9.676 10.725 -3.144 1.00 42.25 N ATOM 555 CA SER A 44 -9.448 11.946 -2.380 1.00 21.10 C ATOM 556 C SER A 44 -10.004 11.813 -0.966 1.00 32.24 C ATOM 557 O SER A 44 -11.172 11.472 -0.776 1.00 12.31 O ATOM 558 CB SER A 44 -10.093 13.141 -3.084 1.00 11.44 C ATOM 559 OG SER A 44 -9.136 14.150 -3.357 1.00 22.13 O ATOM 0 H SER A 44 -10.650 10.423 -3.175 1.00 42.25 H new ATOM 0 HA SER A 44 -8.372 12.109 -2.315 1.00 21.10 H new ATOM 0 HB2 SER A 44 -10.555 12.812 -4.015 1.00 11.44 H new ATOM 0 HB3 SER A 44 -10.888 13.549 -2.460 1.00 11.44 H new ATOM 0 HG SER A 44 -9.573 14.902 -3.809 1.00 22.13 H new ATOM 565 N ILE A 45 -9.159 12.084 0.023 1.00 33.25 N ATOM 566 CA ILE A 45 -9.566 11.996 1.420 1.00 22.45 C ATOM 567 C ILE A 45 -10.332 13.242 1.850 1.00 50.23 C ATOM 568 O ILE A 45 -9.897 14.366 1.602 1.00 1.55 O ATOM 569 CB ILE A 45 -8.352 11.808 2.349 1.00 22.33 C ATOM 570 CG1 ILE A 45 -7.544 10.579 1.926 1.00 2.23 C ATOM 571 CG2 ILE A 45 -8.806 11.677 3.795 1.00 14.33 C ATOM 572 CD1 ILE A 45 -6.226 10.442 2.657 1.00 73.42 C ATOM 0 H ILE A 45 -8.189 12.366 -0.117 1.00 33.25 H new ATOM 0 HA ILE A 45 -10.217 11.126 1.504 1.00 22.45 H new ATOM 0 HB ILE A 45 -7.712 12.687 2.268 1.00 22.33 H new ATOM 0 HG12 ILE A 45 -8.141 9.684 2.100 1.00 2.23 H new ATOM 0 HG13 ILE A 45 -7.352 10.631 0.854 1.00 2.23 H new ATOM 0 HG21 ILE A 45 -7.936 11.545 4.439 1.00 14.33 H new ATOM 0 HG22 ILE A 45 -9.343 12.578 4.091 1.00 14.33 H new ATOM 0 HG23 ILE A 45 -9.464 10.814 3.893 1.00 14.33 H new ATOM 0 HD11 ILE A 45 -5.707 9.550 2.307 1.00 73.42 H new ATOM 0 HD12 ILE A 45 -5.610 11.320 2.463 1.00 73.42 H new ATOM 0 HD13 ILE A 45 -6.411 10.358 3.728 1.00 73.42 H new ATOM 584 N ALA A 46 -11.475 13.035 2.496 1.00 63.52 N ATOM 585 CA ALA A 46 -12.300 14.141 2.963 1.00 1.34 C ATOM 586 C ALA A 46 -12.726 13.934 4.413 1.00 51.21 C ATOM 587 O ALA A 46 -12.802 12.803 4.893 1.00 42.03 O ATOM 588 CB ALA A 46 -13.521 14.303 2.070 1.00 10.33 C ATOM 0 H ALA A 46 -11.850 12.110 2.708 1.00 63.52 H new ATOM 0 HA ALA A 46 -11.704 15.052 2.913 1.00 1.34 H new ATOM 0 HB1 ALA A 46 -14.128 15.133 2.431 1.00 10.33 H new ATOM 0 HB2 ALA A 46 -13.200 14.506 1.048 1.00 10.33 H new ATOM 0 HB3 ALA A 46 -14.111 13.386 2.090 1.00 10.33 H new ATOM 594 N VAL A 47 -13.003 15.034 5.106 1.00 20.14 N ATOM 595 CA VAL A 47 -13.422 14.973 6.502 1.00 60.34 C ATOM 596 C VAL A 47 -14.897 14.605 6.617 1.00 61.53 C ATOM 597 O VAL A 47 -15.732 15.096 5.858 1.00 54.23 O ATOM 598 CB VAL A 47 -13.181 16.314 7.219 1.00 14.13 C ATOM 599 CG1 VAL A 47 -13.943 17.434 6.527 1.00 1.22 C ATOM 600 CG2 VAL A 47 -13.580 16.213 8.684 1.00 43.11 C ATOM 0 H VAL A 47 -12.945 15.978 4.724 1.00 20.14 H new ATOM 0 HA VAL A 47 -12.820 14.201 6.980 1.00 60.34 H new ATOM 0 HB VAL A 47 -12.117 16.547 7.170 1.00 14.13 H new ATOM 0 HG11 VAL A 47 -13.761 18.374 7.048 1.00 1.22 H new ATOM 0 HG12 VAL A 47 -13.605 17.520 5.494 1.00 1.22 H new ATOM 0 HG13 VAL A 47 -15.010 17.212 6.543 1.00 1.22 H new ATOM 0 HG21 VAL A 47 -13.403 17.169 9.176 1.00 43.11 H new ATOM 0 HG22 VAL A 47 -14.637 15.958 8.756 1.00 43.11 H new ATOM 0 HG23 VAL A 47 -12.986 15.439 9.170 1.00 43.11 H new ATOM 610 N LYS A 48 -15.211 13.736 7.572 1.00 54.11 N ATOM 611 CA LYS A 48 -16.586 13.302 7.790 1.00 72.15 C ATOM 612 C LYS A 48 -17.197 14.011 8.994 1.00 4.21 C ATOM 613 O LYS A 48 -18.350 14.442 8.956 1.00 44.22 O ATOM 614 CB LYS A 48 -16.637 11.786 7.997 1.00 54.52 C ATOM 615 CG LYS A 48 -18.022 11.192 7.802 1.00 44.32 C ATOM 616 CD LYS A 48 -18.228 10.717 6.373 1.00 14.53 C ATOM 617 CE LYS A 48 -19.587 10.056 6.197 1.00 41.51 C ATOM 618 NZ LYS A 48 -19.510 8.857 5.317 1.00 11.24 N ATOM 0 H LYS A 48 -14.531 13.318 8.208 1.00 54.11 H new ATOM 0 HA LYS A 48 -17.167 13.562 6.905 1.00 72.15 H new ATOM 0 HB2 LYS A 48 -15.945 11.309 7.302 1.00 54.52 H new ATOM 0 HB3 LYS A 48 -16.289 11.553 9.003 1.00 54.52 H new ATOM 0 HG2 LYS A 48 -18.161 10.356 8.488 1.00 44.32 H new ATOM 0 HG3 LYS A 48 -18.777 11.937 8.051 1.00 44.32 H new ATOM 0 HD2 LYS A 48 -18.142 11.563 5.691 1.00 14.53 H new ATOM 0 HD3 LYS A 48 -17.441 10.011 6.106 1.00 14.53 H new ATOM 0 HE2 LYS A 48 -19.979 9.767 7.172 1.00 41.51 H new ATOM 0 HE3 LYS A 48 -20.288 10.774 5.772 1.00 41.51 H new ATOM 0 HZ1 LYS A 48 -20.456 8.435 5.222 1.00 11.24 H new ATOM 0 HZ2 LYS A 48 -19.160 9.137 4.379 1.00 11.24 H new ATOM 0 HZ3 LYS A 48 -18.861 8.161 5.735 1.00 11.24 H new ATOM 632 N THR A 49 -16.416 14.131 10.063 1.00 24.33 N ATOM 633 CA THR A 49 -16.879 14.788 11.279 1.00 51.13 C ATOM 634 C THR A 49 -15.709 15.171 12.177 1.00 22.34 C ATOM 635 O THR A 49 -15.075 14.309 12.787 1.00 65.13 O ATOM 636 CB THR A 49 -17.847 13.888 12.070 1.00 24.12 C ATOM 637 OG1 THR A 49 -19.141 13.902 11.458 1.00 41.12 O ATOM 638 CG2 THR A 49 -17.958 14.352 13.515 1.00 53.14 C ATOM 0 H THR A 49 -15.459 13.781 10.111 1.00 24.33 H new ATOM 0 HA THR A 49 -17.406 15.691 10.970 1.00 51.13 H new ATOM 0 HB THR A 49 -17.453 12.872 12.060 1.00 24.12 H new ATOM 0 HG1 THR A 49 -19.087 14.350 10.588 1.00 41.12 H new ATOM 0 HG21 THR A 49 -18.647 13.702 14.054 1.00 53.14 H new ATOM 0 HG22 THR A 49 -16.976 14.311 13.987 1.00 53.14 H new ATOM 0 HG23 THR A 49 -18.331 15.376 13.541 1.00 53.14 H new ATOM 646 N ILE A 50 -15.428 16.467 12.256 1.00 54.11 N ATOM 647 CA ILE A 50 -14.335 16.963 13.082 1.00 21.03 C ATOM 648 C ILE A 50 -14.853 17.515 14.406 1.00 40.31 C ATOM 649 O ILE A 50 -15.818 18.277 14.437 1.00 14.24 O ATOM 650 CB ILE A 50 -13.536 18.062 12.358 1.00 45.21 C ATOM 651 CG1 ILE A 50 -12.301 18.448 13.176 1.00 53.44 C ATOM 652 CG2 ILE A 50 -14.414 19.279 12.108 1.00 32.22 C ATOM 653 CD1 ILE A 50 -11.466 19.534 12.533 1.00 31.31 C ATOM 0 H ILE A 50 -15.943 17.193 11.758 1.00 54.11 H new ATOM 0 HA ILE A 50 -13.677 16.116 13.277 1.00 21.03 H new ATOM 0 HB ILE A 50 -13.204 17.674 11.395 1.00 45.21 H new ATOM 0 HG12 ILE A 50 -12.619 18.782 14.164 1.00 53.44 H new ATOM 0 HG13 ILE A 50 -11.681 17.563 13.323 1.00 53.44 H new ATOM 0 HG21 ILE A 50 -13.834 20.047 11.596 1.00 32.22 H new ATOM 0 HG22 ILE A 50 -15.265 18.993 11.489 1.00 32.22 H new ATOM 0 HG23 ILE A 50 -14.773 19.670 13.060 1.00 32.22 H new ATOM 0 HD11 ILE A 50 -10.608 19.757 13.167 1.00 31.31 H new ATOM 0 HD12 ILE A 50 -11.118 19.196 11.557 1.00 31.31 H new ATOM 0 HD13 ILE A 50 -12.070 20.433 12.411 1.00 31.31 H new ATOM 665 N GLY A 51 -14.202 17.127 15.498 1.00 34.45 N ATOM 666 CA GLY A 51 -14.611 17.594 16.810 1.00 25.35 C ATOM 667 C GLY A 51 -14.115 18.995 17.107 1.00 41.21 C ATOM 668 O GLY A 51 -13.917 19.796 16.194 1.00 72.02 O ATOM 0 H GLY A 51 -13.399 16.498 15.498 1.00 34.45 H new ATOM 0 HA2 GLY A 51 -15.699 17.575 16.876 1.00 25.35 H new ATOM 0 HA3 GLY A 51 -14.234 16.910 17.570 1.00 25.35 H new ATOM 672 N GLU A 52 -13.915 19.292 18.387 1.00 14.32 N ATOM 673 CA GLU A 52 -13.442 20.608 18.801 1.00 53.34 C ATOM 674 C GLU A 52 -13.289 20.680 20.317 1.00 33.32 C ATOM 675 O GLU A 52 -12.264 21.132 20.828 1.00 71.54 O ATOM 676 CB GLU A 52 -14.408 21.695 18.323 1.00 44.04 C ATOM 677 CG GLU A 52 -15.866 21.384 18.612 1.00 74.40 C ATOM 678 CD GLU A 52 -16.812 22.400 18.002 1.00 0.23 C ATOM 679 OE1 GLU A 52 -16.334 23.293 17.272 1.00 63.11 O ATOM 680 OE2 GLU A 52 -18.031 22.302 18.256 1.00 0.41 O ATOM 0 H GLU A 52 -14.073 18.640 19.155 1.00 14.32 H new ATOM 0 HA GLU A 52 -12.465 20.774 18.347 1.00 53.34 H new ATOM 0 HB2 GLU A 52 -14.145 22.639 18.801 1.00 44.04 H new ATOM 0 HB3 GLU A 52 -14.281 21.835 17.250 1.00 44.04 H new ATOM 0 HG2 GLU A 52 -16.105 20.393 18.226 1.00 74.40 H new ATOM 0 HG3 GLU A 52 -16.020 21.352 19.691 1.00 74.40 H new ATOM 687 N ARG A 53 -14.316 20.231 21.031 1.00 14.14 N ATOM 688 CA ARG A 53 -14.298 20.246 22.489 1.00 24.41 C ATOM 689 C ARG A 53 -15.095 19.074 23.055 1.00 63.12 C ATOM 690 O ARG A 53 -14.675 18.430 24.016 1.00 50.53 O ATOM 691 CB ARG A 53 -14.867 21.565 23.015 1.00 61.43 C ATOM 692 CG ARG A 53 -13.887 22.724 22.938 1.00 54.41 C ATOM 693 CD ARG A 53 -12.803 22.609 23.998 1.00 71.22 C ATOM 694 NE ARG A 53 -13.047 23.499 25.130 1.00 41.15 N ATOM 695 CZ ARG A 53 -12.100 23.886 25.978 1.00 74.24 C ATOM 696 NH1 ARG A 53 -10.853 23.463 25.822 1.00 35.23 N ATOM 697 NH2 ARG A 53 -12.400 24.698 26.983 1.00 34.33 N ATOM 0 H ARG A 53 -15.171 19.852 20.624 1.00 14.14 H new ATOM 0 HA ARG A 53 -13.262 20.150 22.815 1.00 24.41 H new ATOM 0 HB2 ARG A 53 -15.761 21.818 22.446 1.00 61.43 H new ATOM 0 HB3 ARG A 53 -15.176 21.430 24.051 1.00 61.43 H new ATOM 0 HG2 ARG A 53 -13.429 22.749 21.949 1.00 54.41 H new ATOM 0 HG3 ARG A 53 -14.423 23.664 23.065 1.00 54.41 H new ATOM 0 HD2 ARG A 53 -12.750 21.579 24.352 1.00 71.22 H new ATOM 0 HD3 ARG A 53 -11.836 22.844 23.554 1.00 71.22 H new ATOM 0 HE ARG A 53 -13.996 23.842 25.278 1.00 41.15 H new ATOM 0 HH11 ARG A 53 -10.619 22.839 25.050 1.00 35.23 H new ATOM 0 HH12 ARG A 53 -10.128 23.762 26.474 1.00 35.23 H new ATOM 0 HH21 ARG A 53 -13.358 25.026 27.105 1.00 34.33 H new ATOM 0 HH22 ARG A 53 -11.673 24.995 27.634 1.00 34.33 H new ATOM 711 N GLY A 54 -16.248 18.803 22.451 1.00 12.03 N ATOM 712 CA GLY A 54 -17.086 17.710 22.909 1.00 71.03 C ATOM 713 C GLY A 54 -18.096 17.278 21.865 1.00 73.43 C ATOM 714 O GLY A 54 -19.230 17.756 21.853 1.00 32.41 O ATOM 0 H GLY A 54 -16.617 19.321 21.653 1.00 12.03 H new ATOM 0 HA2 GLY A 54 -16.457 16.861 23.175 1.00 71.03 H new ATOM 0 HA3 GLY A 54 -17.611 18.014 23.815 1.00 71.03 H new ATOM 718 N ALA A 55 -17.684 16.371 20.984 1.00 10.52 N ATOM 719 CA ALA A 55 -18.561 15.875 19.932 1.00 74.35 C ATOM 720 C ALA A 55 -19.645 14.967 20.503 1.00 13.02 C ATOM 721 O ALA A 55 -19.371 14.108 21.340 1.00 62.13 O ATOM 722 CB ALA A 55 -17.753 15.135 18.876 1.00 30.31 C ATOM 0 H ALA A 55 -16.748 15.965 20.979 1.00 10.52 H new ATOM 0 HA ALA A 55 -19.049 16.731 19.467 1.00 74.35 H new ATOM 0 HB1 ALA A 55 -18.421 14.770 18.096 1.00 30.31 H new ATOM 0 HB2 ALA A 55 -17.020 15.812 18.438 1.00 30.31 H new ATOM 0 HB3 ALA A 55 -17.238 14.292 19.337 1.00 30.31 H new ATOM 728 N ASN A 56 -20.878 15.164 20.046 1.00 4.42 N ATOM 729 CA ASN A 56 -22.003 14.364 20.514 1.00 75.23 C ATOM 730 C ASN A 56 -21.921 12.940 19.972 1.00 25.11 C ATOM 731 O ASN A 56 -21.381 12.706 18.891 1.00 44.14 O ATOM 732 CB ASN A 56 -23.325 15.007 20.088 1.00 0.04 C ATOM 733 CG ASN A 56 -23.550 16.355 20.747 1.00 73.55 C ATOM 734 OD1 ASN A 56 -22.905 17.344 20.398 1.00 32.53 O ATOM 735 ND2 ASN A 56 -24.470 16.399 21.704 1.00 64.12 N ATOM 0 H ASN A 56 -21.123 15.871 19.352 1.00 4.42 H new ATOM 0 HA ASN A 56 -21.959 14.323 21.602 1.00 75.23 H new ATOM 0 HB2 ASN A 56 -23.334 15.129 19.005 1.00 0.04 H new ATOM 0 HB3 ASN A 56 -24.149 14.340 20.341 1.00 0.04 H new ATOM 0 HD21 ASN A 56 -24.666 17.278 22.183 1.00 64.12 H new ATOM 0 HD22 ASN A 56 -24.980 15.554 21.960 1.00 64.12 H new ATOM 742 N PHE A 57 -22.460 11.992 20.731 1.00 23.32 N ATOM 743 CA PHE A 57 -22.447 10.590 20.328 1.00 3.31 C ATOM 744 C PHE A 57 -23.193 10.396 19.012 1.00 75.03 C ATOM 745 O PHE A 57 -22.804 9.577 18.180 1.00 63.44 O ATOM 746 CB PHE A 57 -23.075 9.719 21.417 1.00 21.54 C ATOM 747 CG PHE A 57 -24.525 10.021 21.665 1.00 72.32 C ATOM 748 CD1 PHE A 57 -24.897 11.016 22.554 1.00 34.21 C ATOM 749 CD2 PHE A 57 -25.517 9.309 21.008 1.00 5.13 C ATOM 750 CE1 PHE A 57 -26.231 11.297 22.784 1.00 71.32 C ATOM 751 CE2 PHE A 57 -26.852 9.586 21.234 1.00 63.24 C ATOM 752 CZ PHE A 57 -27.210 10.580 22.123 1.00 25.13 C ATOM 0 H PHE A 57 -22.911 12.169 21.629 1.00 23.32 H new ATOM 0 HA PHE A 57 -21.409 10.288 20.185 1.00 3.31 H new ATOM 0 HB2 PHE A 57 -22.973 8.671 21.136 1.00 21.54 H new ATOM 0 HB3 PHE A 57 -22.520 9.855 22.345 1.00 21.54 H new ATOM 0 HD1 PHE A 57 -24.136 11.579 23.074 1.00 34.21 H new ATOM 0 HD2 PHE A 57 -25.243 8.530 20.312 1.00 5.13 H new ATOM 0 HE1 PHE A 57 -26.508 12.076 23.479 1.00 71.32 H new ATOM 0 HE2 PHE A 57 -27.615 9.025 20.715 1.00 63.24 H new ATOM 0 HZ PHE A 57 -28.253 10.797 22.301 1.00 25.13 H new ATOM 762 N ASP A 58 -24.269 11.155 18.831 1.00 22.22 N ATOM 763 CA ASP A 58 -25.071 11.067 17.616 1.00 1.44 C ATOM 764 C ASP A 58 -24.217 11.336 16.381 1.00 72.10 C ATOM 765 O ASP A 58 -24.282 10.598 15.399 1.00 71.44 O ATOM 766 CB ASP A 58 -26.233 12.061 17.674 1.00 23.54 C ATOM 767 CG ASP A 58 -27.537 11.454 17.196 1.00 33.04 C ATOM 768 OD1 ASP A 58 -28.058 10.551 17.883 1.00 21.52 O ATOM 769 OD2 ASP A 58 -28.037 11.882 16.135 1.00 53.22 O ATOM 0 H ASP A 58 -24.606 11.838 19.510 1.00 22.22 H new ATOM 0 HA ASP A 58 -25.471 10.055 17.546 1.00 1.44 H new ATOM 0 HB2 ASP A 58 -26.354 12.415 18.698 1.00 23.54 H new ATOM 0 HB3 ASP A 58 -25.994 12.931 17.062 1.00 23.54 H new ATOM 774 N GLN A 59 -23.419 12.397 16.439 1.00 53.25 N ATOM 775 CA GLN A 59 -22.555 12.764 15.323 1.00 25.52 C ATOM 776 C GLN A 59 -21.387 11.790 15.197 1.00 73.02 C ATOM 777 O GLN A 59 -20.943 11.477 14.092 1.00 74.11 O ATOM 778 CB GLN A 59 -22.028 14.188 15.505 1.00 53.31 C ATOM 779 CG GLN A 59 -23.125 15.240 15.559 1.00 20.54 C ATOM 780 CD GLN A 59 -23.568 15.693 14.182 1.00 22.03 C ATOM 781 OE1 GLN A 59 -23.327 15.013 13.185 1.00 64.43 O ATOM 782 NE2 GLN A 59 -24.220 16.848 14.120 1.00 1.13 N ATOM 0 H GLN A 59 -23.353 13.017 17.246 1.00 53.25 H new ATOM 0 HA GLN A 59 -23.146 12.717 14.408 1.00 25.52 H new ATOM 0 HB2 GLN A 59 -21.444 14.236 16.424 1.00 53.31 H new ATOM 0 HB3 GLN A 59 -21.350 14.423 14.685 1.00 53.31 H new ATOM 0 HG2 GLN A 59 -23.983 14.838 16.098 1.00 20.54 H new ATOM 0 HG3 GLN A 59 -22.769 16.102 16.124 1.00 20.54 H new ATOM 0 HE21 GLN A 59 -24.398 17.379 14.972 1.00 1.13 H new ATOM 0 HE22 GLN A 59 -24.543 17.204 13.220 1.00 1.13 H new ATOM 791 N PHE A 60 -20.894 11.314 16.335 1.00 0.55 N ATOM 792 CA PHE A 60 -19.777 10.377 16.352 1.00 0.23 C ATOM 793 C PHE A 60 -20.108 9.123 15.549 1.00 24.53 C ATOM 794 O PHE A 60 -19.342 8.712 14.676 1.00 14.21 O ATOM 795 CB PHE A 60 -19.424 9.997 17.792 1.00 74.11 C ATOM 796 CG PHE A 60 -18.260 10.766 18.347 1.00 64.31 C ATOM 797 CD1 PHE A 60 -17.043 10.779 17.685 1.00 65.21 C ATOM 798 CD2 PHE A 60 -18.382 11.475 19.531 1.00 64.20 C ATOM 799 CE1 PHE A 60 -15.969 11.486 18.193 1.00 63.43 C ATOM 800 CE2 PHE A 60 -17.312 12.184 20.043 1.00 25.33 C ATOM 801 CZ PHE A 60 -16.103 12.188 19.374 1.00 13.11 C ATOM 0 H PHE A 60 -21.250 11.562 17.258 1.00 0.55 H new ATOM 0 HA PHE A 60 -18.918 10.865 15.892 1.00 0.23 H new ATOM 0 HB2 PHE A 60 -20.294 10.163 18.427 1.00 74.11 H new ATOM 0 HB3 PHE A 60 -19.198 8.931 17.833 1.00 74.11 H new ATOM 0 HD1 PHE A 60 -16.932 10.230 16.761 1.00 65.21 H new ATOM 0 HD2 PHE A 60 -19.324 11.474 20.060 1.00 64.20 H new ATOM 0 HE1 PHE A 60 -15.026 11.489 17.666 1.00 63.43 H new ATOM 0 HE2 PHE A 60 -17.421 12.735 20.966 1.00 25.33 H new ATOM 0 HZ PHE A 60 -15.265 12.739 19.774 1.00 13.11 H new ATOM 811 N ILE A 61 -21.252 8.518 15.852 1.00 44.21 N ATOM 812 CA ILE A 61 -21.684 7.311 15.159 1.00 41.14 C ATOM 813 C ILE A 61 -22.212 7.637 13.766 1.00 72.44 C ATOM 814 O ILE A 61 -22.070 6.843 12.836 1.00 23.34 O ATOM 815 CB ILE A 61 -22.777 6.569 15.949 1.00 32.45 C ATOM 816 CG1 ILE A 61 -22.262 6.186 17.338 1.00 25.32 C ATOM 817 CG2 ILE A 61 -23.234 5.333 15.189 1.00 72.21 C ATOM 818 CD1 ILE A 61 -21.018 5.325 17.305 1.00 40.11 C ATOM 0 H ILE A 61 -21.896 8.844 16.573 1.00 44.21 H new ATOM 0 HA ILE A 61 -20.809 6.666 15.072 1.00 41.14 H new ATOM 0 HB ILE A 61 -23.632 7.234 16.069 1.00 32.45 H new ATOM 0 HG12 ILE A 61 -22.050 7.095 17.901 1.00 25.32 H new ATOM 0 HG13 ILE A 61 -23.048 5.654 17.874 1.00 25.32 H new ATOM 0 HG21 ILE A 61 -24.007 4.819 15.761 1.00 72.21 H new ATOM 0 HG22 ILE A 61 -23.636 5.630 14.220 1.00 72.21 H new ATOM 0 HG23 ILE A 61 -22.387 4.663 15.041 1.00 72.21 H new ATOM 0 HD11 ILE A 61 -20.710 5.092 18.324 1.00 40.11 H new ATOM 0 HD12 ILE A 61 -21.230 4.400 16.770 1.00 40.11 H new ATOM 0 HD13 ILE A 61 -20.217 5.862 16.797 1.00 40.11 H new ATOM 830 N GLU A 62 -22.821 8.810 13.629 1.00 51.41 N ATOM 831 CA GLU A 62 -23.370 9.241 12.348 1.00 4.03 C ATOM 832 C GLU A 62 -22.279 9.302 11.282 1.00 14.33 C ATOM 833 O GLU A 62 -22.497 8.916 10.134 1.00 24.03 O ATOM 834 CB GLU A 62 -24.038 10.610 12.489 1.00 11.21 C ATOM 835 CG GLU A 62 -25.527 10.533 12.783 1.00 2.34 C ATOM 836 CD GLU A 62 -26.353 10.249 11.544 1.00 44.33 C ATOM 837 OE1 GLU A 62 -26.442 11.141 10.674 1.00 14.53 O ATOM 838 OE2 GLU A 62 -26.909 9.136 11.443 1.00 51.10 O ATOM 0 H GLU A 62 -22.947 9.479 14.389 1.00 51.41 H new ATOM 0 HA GLU A 62 -24.117 8.511 12.037 1.00 4.03 H new ATOM 0 HB2 GLU A 62 -23.546 11.164 13.289 1.00 11.21 H new ATOM 0 HB3 GLU A 62 -23.886 11.175 11.569 1.00 11.21 H new ATOM 0 HG2 GLU A 62 -25.708 9.752 13.522 1.00 2.34 H new ATOM 0 HG3 GLU A 62 -25.855 11.473 13.226 1.00 2.34 H new ATOM 845 N ALA A 63 -21.106 9.791 11.671 1.00 15.45 N ATOM 846 CA ALA A 63 -19.982 9.902 10.751 1.00 42.40 C ATOM 847 C ALA A 63 -19.204 8.593 10.674 1.00 0.11 C ATOM 848 O ALA A 63 -18.924 8.090 9.586 1.00 65.02 O ATOM 849 CB ALA A 63 -19.064 11.040 11.174 1.00 61.21 C ATOM 0 H ALA A 63 -20.910 10.117 12.618 1.00 15.45 H new ATOM 0 HA ALA A 63 -20.377 10.118 9.758 1.00 42.40 H new ATOM 0 HB1 ALA A 63 -18.228 11.111 10.478 1.00 61.21 H new ATOM 0 HB2 ALA A 63 -19.621 11.977 11.170 1.00 61.21 H new ATOM 0 HB3 ALA A 63 -18.685 10.848 12.178 1.00 61.21 H new ATOM 855 N ILE A 64 -18.858 8.047 11.835 1.00 61.11 N ATOM 856 CA ILE A 64 -18.113 6.796 11.898 1.00 63.21 C ATOM 857 C ILE A 64 -18.999 5.609 11.534 1.00 3.22 C ATOM 858 O ILE A 64 -20.048 5.396 12.141 1.00 13.02 O ATOM 859 CB ILE A 64 -17.516 6.566 13.299 1.00 61.00 C ATOM 860 CG1 ILE A 64 -16.706 7.787 13.739 1.00 52.40 C ATOM 861 CG2 ILE A 64 -16.647 5.317 13.306 1.00 10.12 C ATOM 862 CD1 ILE A 64 -16.259 7.728 15.183 1.00 61.23 C ATOM 0 H ILE A 64 -19.082 8.451 12.744 1.00 61.11 H new ATOM 0 HA ILE A 64 -17.301 6.876 11.175 1.00 63.21 H new ATOM 0 HB ILE A 64 -18.333 6.421 14.006 1.00 61.00 H new ATOM 0 HG12 ILE A 64 -15.829 7.880 13.099 1.00 52.40 H new ATOM 0 HG13 ILE A 64 -17.307 8.684 13.589 1.00 52.40 H new ATOM 0 HG21 ILE A 64 -16.232 5.168 14.303 1.00 10.12 H new ATOM 0 HG22 ILE A 64 -17.251 4.452 13.031 1.00 10.12 H new ATOM 0 HG23 ILE A 64 -15.835 5.435 12.589 1.00 10.12 H new ATOM 0 HD11 ILE A 64 -15.690 8.626 15.425 1.00 61.23 H new ATOM 0 HD12 ILE A 64 -17.132 7.666 15.832 1.00 61.23 H new ATOM 0 HD13 ILE A 64 -15.632 6.850 15.334 1.00 61.23 H new ATOM 874 N ASP A 65 -18.568 4.839 10.541 1.00 11.02 N ATOM 875 CA ASP A 65 -19.321 3.671 10.098 1.00 44.22 C ATOM 876 C ASP A 65 -18.427 2.436 10.047 1.00 21.13 C ATOM 877 O ASP A 65 -17.211 2.528 10.217 1.00 41.50 O ATOM 878 CB ASP A 65 -19.936 3.927 8.721 1.00 13.14 C ATOM 879 CG ASP A 65 -21.443 3.755 8.720 1.00 44.51 C ATOM 880 OD1 ASP A 65 -21.908 2.597 8.671 1.00 51.44 O ATOM 881 OD2 ASP A 65 -22.156 4.779 8.769 1.00 10.01 O ATOM 0 H ASP A 65 -17.702 5.002 10.028 1.00 11.02 H new ATOM 0 HA ASP A 65 -20.120 3.490 10.817 1.00 44.22 H new ATOM 0 HB2 ASP A 65 -19.688 4.938 8.398 1.00 13.14 H new ATOM 0 HB3 ASP A 65 -19.494 3.243 7.996 1.00 13.14 H new ATOM 886 N LYS A 66 -19.038 1.279 9.814 1.00 44.31 N ATOM 887 CA LYS A 66 -18.299 0.024 9.741 1.00 43.44 C ATOM 888 C LYS A 66 -18.309 -0.531 8.320 1.00 43.31 C ATOM 889 O LYS A 66 -19.162 -1.344 7.967 1.00 10.43 O ATOM 890 CB LYS A 66 -18.899 -1.002 10.705 1.00 43.44 C ATOM 891 CG LYS A 66 -18.329 -2.400 10.537 1.00 53.44 C ATOM 892 CD LYS A 66 -17.788 -2.942 11.848 1.00 24.54 C ATOM 893 CE LYS A 66 -17.940 -4.453 11.932 1.00 73.52 C ATOM 894 NZ LYS A 66 -17.077 -5.040 12.994 1.00 63.45 N ATOM 0 H LYS A 66 -20.044 1.185 9.672 1.00 44.31 H new ATOM 0 HA LYS A 66 -17.266 0.222 10.028 1.00 43.44 H new ATOM 0 HB2 LYS A 66 -18.728 -0.670 11.729 1.00 43.44 H new ATOM 0 HB3 LYS A 66 -19.978 -1.039 10.558 1.00 43.44 H new ATOM 0 HG2 LYS A 66 -19.104 -3.067 10.159 1.00 53.44 H new ATOM 0 HG3 LYS A 66 -17.532 -2.382 9.793 1.00 53.44 H new ATOM 0 HD2 LYS A 66 -16.736 -2.675 11.947 1.00 24.54 H new ATOM 0 HD3 LYS A 66 -18.315 -2.476 12.681 1.00 24.54 H new ATOM 0 HE2 LYS A 66 -18.982 -4.702 12.132 1.00 73.52 H new ATOM 0 HE3 LYS A 66 -17.685 -4.898 10.970 1.00 73.52 H new ATOM 0 HZ1 LYS A 66 -17.145 -6.077 12.963 1.00 63.45 H new ATOM 0 HZ2 LYS A 66 -16.090 -4.753 12.837 1.00 63.45 H new ATOM 0 HZ3 LYS A 66 -17.392 -4.700 13.925 1.00 63.45 H new ATOM 908 N ASN A 67 -17.353 -0.087 7.509 1.00 15.13 N ATOM 909 CA ASN A 67 -17.252 -0.541 6.127 1.00 53.41 C ATOM 910 C ASN A 67 -16.061 0.107 5.428 1.00 61.23 C ATOM 911 O ASN A 67 -15.092 -0.567 5.078 1.00 45.42 O ATOM 912 CB ASN A 67 -18.541 -0.219 5.367 1.00 44.50 C ATOM 913 CG ASN A 67 -18.355 -0.279 3.863 1.00 13.01 C ATOM 914 OD1 ASN A 67 -17.841 -1.262 3.329 1.00 42.41 O ATOM 915 ND2 ASN A 67 -18.775 0.775 3.173 1.00 62.14 N ATOM 0 H ASN A 67 -16.638 0.586 7.785 1.00 15.13 H new ATOM 0 HA ASN A 67 -17.103 -1.621 6.135 1.00 53.41 H new ATOM 0 HB2 ASN A 67 -19.319 -0.922 5.663 1.00 44.50 H new ATOM 0 HB3 ASN A 67 -18.887 0.776 5.648 1.00 44.50 H new ATOM 0 HD21 ASN A 67 -18.677 0.792 2.158 1.00 62.14 H new ATOM 0 HD22 ASN A 67 -19.195 1.568 3.658 1.00 62.14 H new ATOM 922 N VAL A 68 -16.140 1.419 5.228 1.00 71.42 N ATOM 923 CA VAL A 68 -15.068 2.158 4.572 1.00 12.11 C ATOM 924 C VAL A 68 -13.960 2.509 5.558 1.00 2.33 C ATOM 925 O VAL A 68 -14.180 2.618 6.765 1.00 63.32 O ATOM 926 CB VAL A 68 -15.594 3.453 3.925 1.00 10.22 C ATOM 927 CG1 VAL A 68 -16.485 3.132 2.735 1.00 42.22 C ATOM 928 CG2 VAL A 68 -16.341 4.294 4.949 1.00 11.51 C ATOM 0 H VAL A 68 -16.935 1.992 5.511 1.00 71.42 H new ATOM 0 HA VAL A 68 -14.666 1.509 3.794 1.00 12.11 H new ATOM 0 HB VAL A 68 -14.743 4.031 3.565 1.00 10.22 H new ATOM 0 HG11 VAL A 68 -16.847 4.059 2.291 1.00 42.22 H new ATOM 0 HG12 VAL A 68 -15.914 2.573 1.993 1.00 42.22 H new ATOM 0 HG13 VAL A 68 -17.333 2.533 3.067 1.00 42.22 H new ATOM 0 HG21 VAL A 68 -16.706 5.205 4.475 1.00 11.51 H new ATOM 0 HG22 VAL A 68 -17.185 3.726 5.341 1.00 11.51 H new ATOM 0 HG23 VAL A 68 -15.668 4.554 5.766 1.00 11.51 H new ATOM 938 N PRO A 69 -12.738 2.692 5.035 1.00 15.30 N ATOM 939 CA PRO A 69 -11.571 3.035 5.852 1.00 44.31 C ATOM 940 C PRO A 69 -11.650 4.452 6.411 1.00 33.55 C ATOM 941 O PRO A 69 -11.801 5.418 5.662 1.00 24.53 O ATOM 942 CB PRO A 69 -10.403 2.913 4.870 1.00 43.30 C ATOM 943 CG PRO A 69 -11.010 3.139 3.529 1.00 53.33 C ATOM 944 CD PRO A 69 -12.404 2.579 3.606 1.00 44.15 C ATOM 0 HA PRO A 69 -11.482 2.389 6.726 1.00 44.31 H new ATOM 0 HB2 PRO A 69 -9.628 3.650 5.083 1.00 43.30 H new ATOM 0 HB3 PRO A 69 -9.935 1.931 4.932 1.00 43.30 H new ATOM 0 HG2 PRO A 69 -11.029 4.201 3.283 1.00 53.33 H new ATOM 0 HG3 PRO A 69 -10.432 2.642 2.750 1.00 53.33 H new ATOM 0 HD2 PRO A 69 -13.099 3.144 2.985 1.00 44.15 H new ATOM 0 HD3 PRO A 69 -12.441 1.544 3.265 1.00 44.15 H new ATOM 952 N CYS A 70 -11.548 4.568 7.731 1.00 74.13 N ATOM 953 CA CYS A 70 -11.609 5.867 8.391 1.00 53.23 C ATOM 954 C CYS A 70 -10.585 5.953 9.518 1.00 52.23 C ATOM 955 O CYS A 70 -10.388 4.995 10.266 1.00 51.15 O ATOM 956 CB CYS A 70 -13.014 6.117 8.941 1.00 1.45 C ATOM 957 SG CYS A 70 -14.341 5.786 7.759 1.00 65.45 S ATOM 0 H CYS A 70 -11.423 3.778 8.365 1.00 74.13 H new ATOM 0 HA CYS A 70 -11.374 6.634 7.653 1.00 53.23 H new ATOM 0 HB2 CYS A 70 -13.163 5.493 9.822 1.00 1.45 H new ATOM 0 HB3 CYS A 70 -13.085 7.154 9.269 1.00 1.45 H new ATOM 0 HG CYS A 70 -14.289 4.542 7.385 1.00 65.45 H new ATOM 963 N TYR A 71 -9.935 7.106 9.632 1.00 31.24 N ATOM 964 CA TYR A 71 -8.928 7.316 10.665 1.00 22.35 C ATOM 965 C TYR A 71 -9.184 8.616 11.420 1.00 15.35 C ATOM 966 O TYR A 71 -9.569 9.625 10.829 1.00 25.11 O ATOM 967 CB TYR A 71 -7.529 7.340 10.046 1.00 33.13 C ATOM 968 CG TYR A 71 -7.369 8.373 8.954 1.00 65.21 C ATOM 969 CD1 TYR A 71 -7.887 8.156 7.683 1.00 22.53 C ATOM 970 CD2 TYR A 71 -6.699 9.567 9.193 1.00 60.31 C ATOM 971 CE1 TYR A 71 -7.741 9.096 6.682 1.00 15.21 C ATOM 972 CE2 TYR A 71 -6.550 10.514 8.198 1.00 32.32 C ATOM 973 CZ TYR A 71 -7.073 10.274 6.944 1.00 23.34 C ATOM 974 OH TYR A 71 -6.927 11.214 5.950 1.00 30.22 O ATOM 0 H TYR A 71 -10.088 7.909 9.022 1.00 31.24 H new ATOM 0 HA TYR A 71 -8.992 6.488 11.371 1.00 22.35 H new ATOM 0 HB2 TYR A 71 -6.797 7.535 10.830 1.00 33.13 H new ATOM 0 HB3 TYR A 71 -7.304 6.354 9.638 1.00 33.13 H new ATOM 0 HD1 TYR A 71 -8.413 7.236 7.474 1.00 22.53 H new ATOM 0 HD2 TYR A 71 -6.288 9.758 10.173 1.00 60.31 H new ATOM 0 HE1 TYR A 71 -8.148 8.910 5.699 1.00 15.21 H new ATOM 0 HE2 TYR A 71 -6.027 11.437 8.401 1.00 32.32 H new ATOM 0 HH TYR A 71 -6.766 12.093 6.352 1.00 30.22 H new ATOM 984 N ALA A 72 -8.969 8.584 12.731 1.00 5.34 N ATOM 985 CA ALA A 72 -9.173 9.760 13.568 1.00 13.13 C ATOM 986 C ALA A 72 -7.916 10.093 14.364 1.00 10.12 C ATOM 987 O ALA A 72 -7.269 9.206 14.920 1.00 45.15 O ATOM 988 CB ALA A 72 -10.352 9.542 14.506 1.00 64.31 C ATOM 0 H ALA A 72 -8.653 7.756 13.237 1.00 5.34 H new ATOM 0 HA ALA A 72 -9.392 10.605 12.916 1.00 13.13 H new ATOM 0 HB1 ALA A 72 -10.493 10.428 15.125 1.00 64.31 H new ATOM 0 HB2 ALA A 72 -11.254 9.361 13.921 1.00 64.31 H new ATOM 0 HB3 ALA A 72 -10.155 8.681 15.144 1.00 64.31 H new ATOM 994 N ALA A 73 -7.576 11.377 14.415 1.00 60.13 N ATOM 995 CA ALA A 73 -6.397 11.827 15.144 1.00 63.41 C ATOM 996 C ALA A 73 -6.788 12.535 16.436 1.00 4.43 C ATOM 997 O ALA A 73 -7.489 13.547 16.414 1.00 70.03 O ATOM 998 CB ALA A 73 -5.554 12.744 14.270 1.00 13.44 C ATOM 0 H ALA A 73 -8.101 12.124 13.960 1.00 60.13 H new ATOM 0 HA ALA A 73 -5.805 10.950 15.407 1.00 63.41 H new ATOM 0 HB1 ALA A 73 -4.677 13.072 14.827 1.00 13.44 H new ATOM 0 HB2 ALA A 73 -5.236 12.205 13.378 1.00 13.44 H new ATOM 0 HB3 ALA A 73 -6.145 13.612 13.978 1.00 13.44 H new ATOM 1004 N PHE A 74 -6.330 11.998 17.562 1.00 32.32 N ATOM 1005 CA PHE A 74 -6.634 12.578 18.865 1.00 2.11 C ATOM 1006 C PHE A 74 -5.381 13.174 19.500 1.00 1.22 C ATOM 1007 O PHE A 74 -4.334 12.528 19.559 1.00 15.31 O ATOM 1008 CB PHE A 74 -7.234 11.519 19.792 1.00 73.25 C ATOM 1009 CG PHE A 74 -8.692 11.259 19.540 1.00 51.04 C ATOM 1010 CD1 PHE A 74 -9.131 10.854 18.290 1.00 71.45 C ATOM 1011 CD2 PHE A 74 -9.623 11.420 20.553 1.00 72.30 C ATOM 1012 CE1 PHE A 74 -10.472 10.615 18.055 1.00 70.20 C ATOM 1013 CE2 PHE A 74 -10.966 11.182 20.324 1.00 25.24 C ATOM 1014 CZ PHE A 74 -11.390 10.778 19.074 1.00 72.21 C ATOM 0 H PHE A 74 -5.747 11.162 17.598 1.00 32.32 H new ATOM 0 HA PHE A 74 -7.362 13.376 18.718 1.00 2.11 H new ATOM 0 HB2 PHE A 74 -6.681 10.587 19.672 1.00 73.25 H new ATOM 0 HB3 PHE A 74 -7.103 11.837 20.826 1.00 73.25 H new ATOM 0 HD1 PHE A 74 -8.417 10.724 17.490 1.00 71.45 H new ATOM 0 HD2 PHE A 74 -9.296 11.735 21.533 1.00 72.30 H new ATOM 0 HE1 PHE A 74 -10.802 10.301 17.076 1.00 70.20 H new ATOM 0 HE2 PHE A 74 -11.682 11.312 21.122 1.00 25.24 H new ATOM 0 HZ PHE A 74 -12.438 10.590 18.893 1.00 72.21 H new ATOM 1024 N ASP A 75 -5.496 14.410 19.973 1.00 2.14 N ATOM 1025 CA ASP A 75 -4.373 15.094 20.605 1.00 55.51 C ATOM 1026 C ASP A 75 -4.544 15.134 22.120 1.00 13.32 C ATOM 1027 O ASP A 75 -5.531 15.665 22.630 1.00 10.15 O ATOM 1028 CB ASP A 75 -4.242 16.516 20.056 1.00 5.15 C ATOM 1029 CG ASP A 75 -3.397 17.405 20.948 1.00 24.52 C ATOM 1030 OD1 ASP A 75 -3.944 17.959 21.924 1.00 33.03 O ATOM 1031 OD2 ASP A 75 -2.187 17.545 20.671 1.00 73.34 O ATOM 0 H ASP A 75 -6.355 14.959 19.931 1.00 2.14 H new ATOM 0 HA ASP A 75 -3.464 14.538 20.375 1.00 55.51 H new ATOM 0 HB2 ASP A 75 -3.799 16.479 19.061 1.00 5.15 H new ATOM 0 HB3 ASP A 75 -5.234 16.953 19.947 1.00 5.15 H new ATOM 1036 N PHE A 76 -3.577 14.568 22.835 1.00 51.54 N ATOM 1037 CA PHE A 76 -3.621 14.537 24.292 1.00 53.31 C ATOM 1038 C PHE A 76 -2.402 15.236 24.888 1.00 35.40 C ATOM 1039 O PHE A 76 -1.270 14.786 24.713 1.00 14.24 O ATOM 1040 CB PHE A 76 -3.690 13.092 24.790 1.00 1.45 C ATOM 1041 CG PHE A 76 -4.019 12.977 26.251 1.00 13.34 C ATOM 1042 CD1 PHE A 76 -5.264 13.359 26.727 1.00 62.55 C ATOM 1043 CD2 PHE A 76 -3.085 12.487 27.149 1.00 3.53 C ATOM 1044 CE1 PHE A 76 -5.569 13.254 28.070 1.00 10.45 C ATOM 1045 CE2 PHE A 76 -3.384 12.381 28.494 1.00 34.44 C ATOM 1046 CZ PHE A 76 -4.629 12.764 28.955 1.00 23.33 C ATOM 0 H PHE A 76 -2.753 14.125 22.429 1.00 51.54 H new ATOM 0 HA PHE A 76 -4.516 15.068 24.616 1.00 53.31 H new ATOM 0 HB2 PHE A 76 -4.441 12.553 24.213 1.00 1.45 H new ATOM 0 HB3 PHE A 76 -2.733 12.605 24.602 1.00 1.45 H new ATOM 0 HD1 PHE A 76 -6.004 13.743 26.040 1.00 62.55 H new ATOM 0 HD2 PHE A 76 -2.111 12.184 26.794 1.00 3.53 H new ATOM 0 HE1 PHE A 76 -6.542 13.555 28.428 1.00 10.45 H new ATOM 0 HE2 PHE A 76 -2.646 11.999 29.184 1.00 34.44 H new ATOM 0 HZ PHE A 76 -4.866 12.680 30.005 1.00 23.33 H new ATOM 1056 N GLU A 77 -2.644 16.337 25.592 1.00 53.23 N ATOM 1057 CA GLU A 77 -1.566 17.098 26.212 1.00 14.33 C ATOM 1058 C GLU A 77 -1.258 16.566 27.609 1.00 73.22 C ATOM 1059 O GLU A 77 -2.159 16.385 28.429 1.00 41.32 O ATOM 1060 CB GLU A 77 -1.938 18.581 26.290 1.00 31.43 C ATOM 1061 CG GLU A 77 -3.277 18.838 26.961 1.00 23.15 C ATOM 1062 CD GLU A 77 -3.219 19.976 27.961 1.00 2.43 C ATOM 1063 OE1 GLU A 77 -2.873 21.106 27.556 1.00 20.31 O ATOM 1064 OE2 GLU A 77 -3.520 19.737 29.150 1.00 42.43 O ATOM 0 H GLU A 77 -3.576 16.722 25.747 1.00 53.23 H new ATOM 0 HA GLU A 77 -0.675 16.986 25.594 1.00 14.33 H new ATOM 0 HB2 GLU A 77 -1.159 19.114 26.836 1.00 31.43 H new ATOM 0 HB3 GLU A 77 -1.961 18.995 25.282 1.00 31.43 H new ATOM 0 HG2 GLU A 77 -4.023 19.066 26.200 1.00 23.15 H new ATOM 0 HG3 GLU A 77 -3.606 17.930 27.468 1.00 23.15 H new ATOM 1167 N ARG A 85 3.930 19.704 26.929 1.00 25.23 N ATOM 1168 CA ARG A 85 4.120 18.704 25.885 1.00 23.03 C ATOM 1169 C ARG A 85 2.804 18.006 25.555 1.00 41.31 C ATOM 1170 O ARG A 85 1.937 17.855 26.416 1.00 62.52 O ATOM 1171 CB ARG A 85 5.162 17.672 26.322 1.00 74.44 C ATOM 1172 CG ARG A 85 6.329 17.539 25.357 1.00 74.40 C ATOM 1173 CD ARG A 85 6.350 16.170 24.694 1.00 5.03 C ATOM 1174 NE ARG A 85 7.640 15.884 24.071 1.00 10.12 N ATOM 1175 CZ ARG A 85 7.986 14.686 23.614 1.00 33.20 C ATOM 1176 NH1 ARG A 85 7.142 13.667 23.709 1.00 11.54 N ATOM 1177 NH2 ARG A 85 9.177 14.504 23.059 1.00 4.35 N ATOM 0 HA ARG A 85 4.476 19.213 24.989 1.00 23.03 H new ATOM 0 HB2 ARG A 85 5.544 17.948 27.305 1.00 74.44 H new ATOM 0 HB3 ARG A 85 4.677 16.702 26.429 1.00 74.44 H new ATOM 0 HG2 ARG A 85 6.261 18.314 24.593 1.00 74.40 H new ATOM 0 HG3 ARG A 85 7.265 17.700 25.892 1.00 74.40 H new ATOM 0 HD2 ARG A 85 6.128 15.404 25.437 1.00 5.03 H new ATOM 0 HD3 ARG A 85 5.564 16.120 23.940 1.00 5.03 H new ATOM 0 HE ARG A 85 8.312 16.646 23.982 1.00 10.12 H new ATOM 0 HH11 ARG A 85 6.225 13.803 24.134 1.00 11.54 H new ATOM 0 HH12 ARG A 85 7.410 12.748 23.357 1.00 11.54 H new ATOM 0 HH21 ARG A 85 9.829 15.285 22.983 1.00 4.35 H new ATOM 0 HH22 ARG A 85 9.441 13.583 22.709 1.00 4.35 H new ATOM 1191 N ASP A 86 2.662 17.585 24.303 1.00 21.21 N ATOM 1192 CA ASP A 86 1.452 16.903 23.859 1.00 62.24 C ATOM 1193 C ASP A 86 1.781 15.834 22.821 1.00 30.10 C ATOM 1194 O ASP A 86 2.661 16.019 21.980 1.00 24.15 O ATOM 1195 CB ASP A 86 0.459 17.909 23.275 1.00 10.04 C ATOM 1196 CG ASP A 86 0.920 18.474 21.946 1.00 3.14 C ATOM 1197 OD1 ASP A 86 1.859 19.298 21.946 1.00 34.01 O ATOM 1198 OD2 ASP A 86 0.343 18.093 20.907 1.00 55.24 O ATOM 0 H ASP A 86 3.369 17.704 23.578 1.00 21.21 H new ATOM 0 HA ASP A 86 1.000 16.418 24.724 1.00 62.24 H new ATOM 0 HB2 ASP A 86 -0.509 17.425 23.144 1.00 10.04 H new ATOM 0 HB3 ASP A 86 0.315 18.725 23.983 1.00 10.04 H new ATOM 1203 N LYS A 87 1.068 14.714 22.886 1.00 3.42 N ATOM 1204 CA LYS A 87 1.283 13.615 21.953 1.00 20.20 C ATOM 1205 C LYS A 87 0.032 13.356 21.120 1.00 52.01 C ATOM 1206 O LYS A 87 -1.088 13.404 21.631 1.00 1.41 O ATOM 1207 CB LYS A 87 1.676 12.345 22.711 1.00 35.41 C ATOM 1208 CG LYS A 87 2.934 11.682 22.177 1.00 12.14 C ATOM 1209 CD LYS A 87 4.133 12.612 22.262 1.00 34.24 C ATOM 1210 CE LYS A 87 4.819 12.760 20.913 1.00 4.54 C ATOM 1211 NZ LYS A 87 5.682 13.973 20.861 1.00 25.10 N ATOM 0 H LYS A 87 0.336 14.544 23.576 1.00 3.42 H new ATOM 0 HA LYS A 87 2.094 13.895 21.281 1.00 20.20 H new ATOM 0 HB2 LYS A 87 1.823 12.591 23.763 1.00 35.41 H new ATOM 0 HB3 LYS A 87 0.852 11.633 22.662 1.00 35.41 H new ATOM 0 HG2 LYS A 87 3.136 10.773 22.744 1.00 12.14 H new ATOM 0 HG3 LYS A 87 2.777 11.383 21.141 1.00 12.14 H new ATOM 0 HD2 LYS A 87 3.811 13.591 22.617 1.00 34.24 H new ATOM 0 HD3 LYS A 87 4.844 12.226 22.993 1.00 34.24 H new ATOM 0 HE2 LYS A 87 5.423 11.875 20.714 1.00 4.54 H new ATOM 0 HE3 LYS A 87 4.066 12.816 20.127 1.00 4.54 H new ATOM 0 HZ1 LYS A 87 5.746 14.311 19.880 1.00 25.10 H new ATOM 0 HZ2 LYS A 87 5.270 14.718 21.458 1.00 25.10 H new ATOM 0 HZ3 LYS A 87 6.633 13.737 21.209 1.00 25.10 H new ATOM 1225 N LEU A 88 0.229 13.080 19.835 1.00 15.05 N ATOM 1226 CA LEU A 88 -0.884 12.812 18.931 1.00 35.33 C ATOM 1227 C LEU A 88 -0.929 11.337 18.546 1.00 73.43 C ATOM 1228 O LEU A 88 0.097 10.739 18.220 1.00 31.33 O ATOM 1229 CB LEU A 88 -0.766 13.676 17.675 1.00 71.23 C ATOM 1230 CG LEU A 88 -1.499 15.017 17.711 1.00 1.42 C ATOM 1231 CD1 LEU A 88 -0.650 16.070 18.407 1.00 53.41 C ATOM 1232 CD2 LEU A 88 -1.860 15.466 16.303 1.00 52.23 C ATOM 0 H LEU A 88 1.149 13.036 19.396 1.00 15.05 H new ATOM 0 HA LEU A 88 -1.810 13.061 19.450 1.00 35.33 H new ATOM 0 HB2 LEU A 88 0.291 13.867 17.488 1.00 71.23 H new ATOM 0 HB3 LEU A 88 -1.141 13.102 16.827 1.00 71.23 H new ATOM 0 HG LEU A 88 -2.421 14.890 18.278 1.00 1.42 H new ATOM 0 HD11 LEU A 88 -1.187 17.018 18.423 1.00 53.41 H new ATOM 0 HD12 LEU A 88 -0.442 15.753 19.429 1.00 53.41 H new ATOM 0 HD13 LEU A 88 0.289 16.195 17.868 1.00 53.41 H new ATOM 0 HD21 LEU A 88 -2.381 16.422 16.348 1.00 52.23 H new ATOM 0 HD22 LEU A 88 -0.951 15.576 15.712 1.00 52.23 H new ATOM 0 HD23 LEU A 88 -2.507 14.722 15.838 1.00 52.23 H new ATOM 1244 N ILE A 89 -2.124 10.757 18.582 1.00 32.15 N ATOM 1245 CA ILE A 89 -2.303 9.353 18.234 1.00 63.14 C ATOM 1246 C ILE A 89 -3.319 9.191 17.109 1.00 74.03 C ATOM 1247 O ILE A 89 -4.246 9.991 16.974 1.00 0.44 O ATOM 1248 CB ILE A 89 -2.762 8.525 19.448 1.00 24.13 C ATOM 1249 CG1 ILE A 89 -1.873 8.819 20.659 1.00 51.03 C ATOM 1250 CG2 ILE A 89 -2.739 7.040 19.116 1.00 13.33 C ATOM 1251 CD1 ILE A 89 -2.475 9.818 21.622 1.00 73.11 C ATOM 0 H ILE A 89 -2.983 11.238 18.849 1.00 32.15 H new ATOM 0 HA ILE A 89 -1.333 8.985 17.900 1.00 63.14 H new ATOM 0 HB ILE A 89 -3.786 8.807 19.695 1.00 24.13 H new ATOM 0 HG12 ILE A 89 -1.677 7.888 21.190 1.00 51.03 H new ATOM 0 HG13 ILE A 89 -0.911 9.196 20.311 1.00 51.03 H new ATOM 0 HG21 ILE A 89 -3.066 6.468 19.984 1.00 13.33 H new ATOM 0 HG22 ILE A 89 -3.409 6.844 18.279 1.00 13.33 H new ATOM 0 HG23 ILE A 89 -1.725 6.743 18.847 1.00 13.33 H new ATOM 0 HD11 ILE A 89 -1.791 9.978 22.455 1.00 73.11 H new ATOM 0 HD12 ILE A 89 -2.646 10.763 21.106 1.00 73.11 H new ATOM 0 HD13 ILE A 89 -3.423 9.434 21.999 1.00 73.11 H new ATOM 1263 N LEU A 90 -3.141 8.150 16.303 1.00 33.33 N ATOM 1264 CA LEU A 90 -4.045 7.880 15.190 1.00 44.42 C ATOM 1265 C LEU A 90 -4.721 6.523 15.353 1.00 24.21 C ATOM 1266 O LEU A 90 -4.054 5.489 15.401 1.00 31.53 O ATOM 1267 CB LEU A 90 -3.281 7.927 13.865 1.00 22.52 C ATOM 1268 CG LEU A 90 -4.099 7.630 12.608 1.00 20.30 C ATOM 1269 CD1 LEU A 90 -4.700 8.909 12.048 1.00 41.42 C ATOM 1270 CD2 LEU A 90 -3.236 6.940 11.561 1.00 55.31 C ATOM 0 H LEU A 90 -2.379 7.479 16.399 1.00 33.33 H new ATOM 0 HA LEU A 90 -4.816 8.650 15.186 1.00 44.42 H new ATOM 0 HB2 LEU A 90 -2.837 8.917 13.760 1.00 22.52 H new ATOM 0 HB3 LEU A 90 -2.459 7.213 13.917 1.00 22.52 H new ATOM 0 HG LEU A 90 -4.914 6.958 12.878 1.00 20.30 H new ATOM 0 HD11 LEU A 90 -5.279 8.678 11.154 1.00 41.42 H new ATOM 0 HD12 LEU A 90 -5.352 9.362 12.795 1.00 41.42 H new ATOM 0 HD13 LEU A 90 -3.901 9.605 11.793 1.00 41.42 H new ATOM 0 HD21 LEU A 90 -3.834 6.736 10.673 1.00 55.31 H new ATOM 0 HD22 LEU A 90 -2.400 7.587 11.295 1.00 55.31 H new ATOM 0 HD23 LEU A 90 -2.854 6.002 11.965 1.00 55.31 H new ATOM 1282 N ILE A 91 -6.047 6.534 15.435 1.00 3.25 N ATOM 1283 CA ILE A 91 -6.813 5.304 15.590 1.00 64.43 C ATOM 1284 C ILE A 91 -7.738 5.079 14.399 1.00 42.15 C ATOM 1285 O ILE A 91 -8.518 5.957 14.031 1.00 14.35 O ATOM 1286 CB ILE A 91 -7.652 5.321 16.881 1.00 24.20 C ATOM 1287 CG1 ILE A 91 -6.745 5.494 18.102 1.00 74.43 C ATOM 1288 CG2 ILE A 91 -8.470 4.043 16.998 1.00 5.43 C ATOM 1289 CD1 ILE A 91 -6.660 6.922 18.593 1.00 24.53 C ATOM 0 H ILE A 91 -6.613 7.382 15.397 1.00 3.25 H new ATOM 0 HA ILE A 91 -6.092 4.489 15.647 1.00 64.43 H new ATOM 0 HB ILE A 91 -8.339 6.166 16.840 1.00 24.20 H new ATOM 0 HG12 ILE A 91 -7.112 4.862 18.910 1.00 74.43 H new ATOM 0 HG13 ILE A 91 -5.743 5.143 17.853 1.00 74.43 H new ATOM 0 HG21 ILE A 91 -9.058 4.070 17.916 1.00 5.43 H new ATOM 0 HG22 ILE A 91 -9.139 3.959 16.141 1.00 5.43 H new ATOM 0 HG23 ILE A 91 -7.800 3.183 17.021 1.00 5.43 H new ATOM 0 HD11 ILE A 91 -6.001 6.970 19.460 1.00 24.53 H new ATOM 0 HD12 ILE A 91 -6.264 7.556 17.800 1.00 24.53 H new ATOM 0 HD13 ILE A 91 -7.654 7.270 18.874 1.00 24.53 H new ATOM 1301 N SER A 92 -7.646 3.896 13.800 1.00 41.04 N ATOM 1302 CA SER A 92 -8.473 3.556 12.648 1.00 34.11 C ATOM 1303 C SER A 92 -9.647 2.674 13.064 1.00 62.10 C ATOM 1304 O SER A 92 -9.494 1.762 13.876 1.00 32.25 O ATOM 1305 CB SER A 92 -7.636 2.842 11.585 1.00 53.53 C ATOM 1306 OG SER A 92 -6.259 2.870 11.917 1.00 60.02 O ATOM 0 H SER A 92 -7.007 3.157 14.093 1.00 41.04 H new ATOM 0 HA SER A 92 -8.867 4.482 12.229 1.00 34.11 H new ATOM 0 HB2 SER A 92 -7.969 1.809 11.489 1.00 53.53 H new ATOM 0 HB3 SER A 92 -7.790 3.318 10.616 1.00 53.53 H new ATOM 0 HG SER A 92 -5.746 2.406 11.223 1.00 60.02 H new ATOM 1312 N TRP A 93 -10.817 2.953 12.501 1.00 3.00 N ATOM 1313 CA TRP A 93 -12.017 2.186 12.813 1.00 72.42 C ATOM 1314 C TRP A 93 -12.549 1.478 11.571 1.00 1.32 C ATOM 1315 O TRP A 93 -12.993 2.122 10.622 1.00 53.13 O ATOM 1316 CB TRP A 93 -13.096 3.101 13.395 1.00 63.23 C ATOM 1317 CG TRP A 93 -14.449 2.460 13.456 1.00 31.20 C ATOM 1318 CD1 TRP A 93 -15.369 2.389 12.449 1.00 41.30 C ATOM 1319 CD2 TRP A 93 -15.035 1.801 14.584 1.00 0.01 C ATOM 1320 NE1 TRP A 93 -16.491 1.726 12.883 1.00 14.32 N ATOM 1321 CE2 TRP A 93 -16.311 1.354 14.189 1.00 13.42 C ATOM 1322 CE3 TRP A 93 -14.605 1.543 15.888 1.00 11.15 C ATOM 1323 CZ2 TRP A 93 -17.159 0.667 15.053 1.00 32.42 C ATOM 1324 CZ3 TRP A 93 -15.448 0.861 16.745 1.00 61.51 C ATOM 1325 CH2 TRP A 93 -16.713 0.428 16.324 1.00 23.15 C ATOM 0 H TRP A 93 -10.960 3.704 11.826 1.00 3.00 H new ATOM 0 HA TRP A 93 -11.753 1.431 13.554 1.00 72.42 H new ATOM 0 HB2 TRP A 93 -12.801 3.406 14.399 1.00 63.23 H new ATOM 0 HB3 TRP A 93 -13.158 4.007 12.792 1.00 63.23 H new ATOM 0 HD1 TRP A 93 -15.234 2.795 11.457 1.00 41.30 H new ATOM 0 HE1 TRP A 93 -17.323 1.541 12.323 1.00 14.32 H new ATOM 0 HE3 TRP A 93 -13.631 1.871 16.220 1.00 11.15 H new ATOM 0 HZ2 TRP A 93 -18.135 0.334 14.731 1.00 32.42 H new ATOM 0 HZ3 TRP A 93 -15.127 0.658 17.756 1.00 61.51 H new ATOM 0 HH2 TRP A 93 -17.348 -0.105 17.017 1.00 23.15 H new ATOM 1336 N ASN A 94 -12.500 0.150 11.585 1.00 14.24 N ATOM 1337 CA ASN A 94 -12.977 -0.644 10.459 1.00 35.22 C ATOM 1338 C ASN A 94 -12.718 -2.129 10.693 1.00 74.54 C ATOM 1339 O ASN A 94 -11.708 -2.525 11.275 1.00 52.22 O ATOM 1340 CB ASN A 94 -12.296 -0.193 9.165 1.00 34.44 C ATOM 1341 CG ASN A 94 -10.831 0.141 9.369 1.00 33.24 C ATOM 1342 OD1 ASN A 94 -10.441 1.308 9.350 1.00 0.24 O ATOM 1343 ND2 ASN A 94 -10.012 -0.886 9.566 1.00 52.23 N ATOM 0 H ASN A 94 -12.135 -0.399 12.363 1.00 14.24 H new ATOM 0 HA ASN A 94 -14.052 -0.491 10.368 1.00 35.22 H new ATOM 0 HB2 ASN A 94 -12.386 -0.981 8.417 1.00 34.44 H new ATOM 0 HB3 ASN A 94 -12.814 0.681 8.771 1.00 34.44 H new ATOM 0 HD21 ASN A 94 -9.015 -0.723 9.710 1.00 52.23 H new ATOM 0 HD22 ASN A 94 -10.380 -1.837 9.574 1.00 52.23 H new ATOM 1350 N PRO A 95 -13.652 -2.973 10.228 1.00 63.14 N ATOM 1351 CA PRO A 95 -13.547 -4.428 10.373 1.00 65.03 C ATOM 1352 C PRO A 95 -12.440 -5.019 9.505 1.00 12.42 C ATOM 1353 O PRO A 95 -12.338 -4.711 8.318 1.00 54.44 O ATOM 1354 CB PRO A 95 -14.916 -4.931 9.909 1.00 41.34 C ATOM 1355 CG PRO A 95 -15.417 -3.871 8.989 1.00 64.11 C ATOM 1356 CD PRO A 95 -14.881 -2.572 9.524 1.00 54.41 C ATOM 0 HA PRO A 95 -13.294 -4.718 11.393 1.00 65.03 H new ATOM 0 HB2 PRO A 95 -14.833 -5.891 9.399 1.00 41.34 H new ATOM 0 HB3 PRO A 95 -15.592 -5.075 10.752 1.00 41.34 H new ATOM 0 HG2 PRO A 95 -15.073 -4.045 7.969 1.00 64.11 H new ATOM 0 HG3 PRO A 95 -16.507 -3.862 8.961 1.00 64.11 H new ATOM 0 HD2 PRO A 95 -14.672 -1.863 8.723 1.00 54.41 H new ATOM 0 HD3 PRO A 95 -15.591 -2.091 10.197 1.00 54.41 H new ATOM 1364 N ASP A 96 -11.614 -5.868 10.106 1.00 73.45 N ATOM 1365 CA ASP A 96 -10.516 -6.504 9.387 1.00 42.32 C ATOM 1366 C ASP A 96 -11.043 -7.411 8.280 1.00 75.21 C ATOM 1367 O ASP A 96 -10.329 -7.726 7.329 1.00 62.35 O ATOM 1368 CB ASP A 96 -9.645 -7.309 10.352 1.00 21.31 C ATOM 1369 CG ASP A 96 -8.839 -6.423 11.281 1.00 25.32 C ATOM 1370 OD1 ASP A 96 -8.528 -5.279 10.889 1.00 72.44 O ATOM 1371 OD2 ASP A 96 -8.517 -6.874 12.401 1.00 61.22 O ATOM 0 H ASP A 96 -11.684 -6.132 11.089 1.00 73.45 H new ATOM 0 HA ASP A 96 -9.911 -5.720 8.931 1.00 42.32 H new ATOM 0 HB2 ASP A 96 -10.279 -7.970 10.944 1.00 21.31 H new ATOM 0 HB3 ASP A 96 -8.967 -7.944 9.782 1.00 21.31 H new ATOM 1376 N SER A 97 -12.298 -7.829 8.412 1.00 54.21 N ATOM 1377 CA SER A 97 -12.920 -8.704 7.426 1.00 74.35 C ATOM 1378 C SER A 97 -13.962 -7.947 6.607 1.00 64.11 C ATOM 1379 O SER A 97 -14.779 -8.549 5.912 1.00 33.12 O ATOM 1380 CB SER A 97 -13.572 -9.904 8.116 1.00 0.01 C ATOM 1381 OG SER A 97 -12.729 -11.042 8.065 1.00 41.22 O ATOM 0 H SER A 97 -12.904 -7.576 9.192 1.00 54.21 H new ATOM 0 HA SER A 97 -12.141 -9.060 6.752 1.00 74.35 H new ATOM 0 HB2 SER A 97 -13.790 -9.656 9.155 1.00 0.01 H new ATOM 0 HB3 SER A 97 -14.524 -10.131 7.636 1.00 0.01 H new ATOM 0 HG SER A 97 -13.168 -11.794 8.514 1.00 41.22 H new ATOM 1387 N GLY A 98 -13.924 -6.621 6.695 1.00 54.22 N ATOM 1388 CA GLY A 98 -14.869 -5.802 5.958 1.00 10.20 C ATOM 1389 C GLY A 98 -14.752 -5.988 4.458 1.00 21.43 C ATOM 1390 O GLY A 98 -15.214 -6.990 3.913 1.00 64.21 O ATOM 0 H GLY A 98 -13.256 -6.100 7.263 1.00 54.22 H new ATOM 0 HA2 GLY A 98 -15.883 -6.049 6.274 1.00 10.20 H new ATOM 0 HA3 GLY A 98 -14.705 -4.753 6.205 1.00 10.20 H new ATOM 1394 N ALA A 99 -14.134 -5.020 3.790 1.00 62.34 N ATOM 1395 CA ALA A 99 -13.957 -5.083 2.344 1.00 13.21 C ATOM 1396 C ALA A 99 -12.479 -5.065 1.970 1.00 31.23 C ATOM 1397 O ALA A 99 -11.621 -4.656 2.753 1.00 40.35 O ATOM 1398 CB ALA A 99 -14.687 -3.929 1.673 1.00 53.21 C ATOM 0 H ALA A 99 -13.748 -4.183 4.226 1.00 62.34 H new ATOM 0 HA ALA A 99 -14.382 -6.023 1.991 1.00 13.21 H new ATOM 0 HB1 ALA A 99 -14.547 -3.988 0.594 1.00 53.21 H new ATOM 0 HB2 ALA A 99 -15.751 -3.988 1.904 1.00 53.21 H new ATOM 0 HB3 ALA A 99 -14.288 -2.983 2.040 1.00 53.21 H new ATOM 1404 N PRO A 100 -12.172 -5.520 0.746 1.00 21.25 N ATOM 1405 CA PRO A 100 -10.796 -5.567 0.241 1.00 15.15 C ATOM 1406 C PRO A 100 -10.230 -4.177 -0.026 1.00 43.21 C ATOM 1407 O PRO A 100 -9.060 -3.910 0.249 1.00 43.22 O ATOM 1408 CB PRO A 100 -10.925 -6.353 -1.066 1.00 11.32 C ATOM 1409 CG PRO A 100 -12.334 -6.137 -1.500 1.00 44.15 C ATOM 1410 CD PRO A 100 -13.144 -6.024 -0.239 1.00 3.43 C ATOM 0 HA PRO A 100 -10.112 -6.019 0.960 1.00 15.15 H new ATOM 0 HB2 PRO A 100 -10.220 -5.993 -1.816 1.00 11.32 H new ATOM 0 HB3 PRO A 100 -10.715 -7.412 -0.914 1.00 11.32 H new ATOM 0 HG2 PRO A 100 -12.422 -5.233 -2.103 1.00 44.15 H new ATOM 0 HG3 PRO A 100 -12.684 -6.966 -2.115 1.00 44.15 H new ATOM 0 HD2 PRO A 100 -13.984 -5.340 -0.361 1.00 3.43 H new ATOM 0 HD3 PRO A 100 -13.558 -6.987 0.061 1.00 3.43 H new ATOM 1418 N ARG A 101 -11.066 -3.295 -0.563 1.00 74.03 N ATOM 1419 CA ARG A 101 -10.648 -1.932 -0.869 1.00 23.35 C ATOM 1420 C ARG A 101 -10.368 -1.150 0.411 1.00 11.13 C ATOM 1421 O ARG A 101 -9.445 -0.337 0.466 1.00 2.33 O ATOM 1422 CB ARG A 101 -11.722 -1.218 -1.691 1.00 62.21 C ATOM 1423 CG ARG A 101 -12.117 -1.964 -2.956 1.00 5.45 C ATOM 1424 CD ARG A 101 -11.053 -1.832 -4.035 1.00 32.14 C ATOM 1425 NE ARG A 101 -10.385 -3.103 -4.303 1.00 13.13 N ATOM 1426 CZ ARG A 101 -9.707 -3.356 -5.416 1.00 45.22 C ATOM 1427 NH1 ARG A 101 -9.606 -2.430 -6.360 1.00 21.10 N ATOM 1428 NH2 ARG A 101 -9.126 -4.537 -5.587 1.00 51.20 N ATOM 0 H ARG A 101 -12.038 -3.500 -0.795 1.00 74.03 H new ATOM 0 HA ARG A 101 -9.729 -1.983 -1.452 1.00 23.35 H new ATOM 0 HB2 ARG A 101 -12.607 -1.076 -1.071 1.00 62.21 H new ATOM 0 HB3 ARG A 101 -11.361 -0.226 -1.962 1.00 62.21 H new ATOM 0 HG2 ARG A 101 -12.274 -3.018 -2.725 1.00 5.45 H new ATOM 0 HG3 ARG A 101 -13.065 -1.575 -3.328 1.00 5.45 H new ATOM 0 HD2 ARG A 101 -11.511 -1.463 -4.953 1.00 32.14 H new ATOM 0 HD3 ARG A 101 -10.314 -1.092 -3.727 1.00 32.14 H new ATOM 0 HE ARG A 101 -10.443 -3.836 -3.596 1.00 13.13 H new ATOM 0 HH11 ARG A 101 -10.050 -1.521 -6.232 1.00 21.10 H new ATOM 0 HH12 ARG A 101 -9.084 -2.627 -7.214 1.00 21.10 H new ATOM 0 HH21 ARG A 101 -9.200 -5.251 -4.863 1.00 51.20 H new ATOM 0 HH22 ARG A 101 -8.605 -4.730 -6.443 1.00 51.20 H new ATOM 1442 N THR A 102 -11.172 -1.401 1.440 1.00 52.41 N ATOM 1443 CA THR A 102 -11.013 -0.719 2.718 1.00 20.34 C ATOM 1444 C THR A 102 -9.716 -1.134 3.404 1.00 13.34 C ATOM 1445 O THR A 102 -8.971 -0.292 3.906 1.00 23.34 O ATOM 1446 CB THR A 102 -12.195 -1.011 3.661 1.00 34.05 C ATOM 1447 OG1 THR A 102 -13.415 -0.541 3.077 1.00 34.14 O ATOM 1448 CG2 THR A 102 -11.986 -0.346 5.014 1.00 63.53 C ATOM 0 H THR A 102 -11.940 -2.072 1.413 1.00 52.41 H new ATOM 0 HA THR A 102 -10.983 0.350 2.505 1.00 20.34 H new ATOM 0 HB THR A 102 -12.255 -2.089 3.809 1.00 34.05 H new ATOM 0 HG1 THR A 102 -14.175 -0.849 3.614 1.00 34.14 H new ATOM 0 HG21 THR A 102 -12.834 -0.567 5.663 1.00 63.53 H new ATOM 0 HG22 THR A 102 -11.072 -0.727 5.469 1.00 63.53 H new ATOM 0 HG23 THR A 102 -11.902 0.733 4.880 1.00 63.53 H new ATOM 1456 N LYS A 103 -9.452 -2.436 3.422 1.00 2.35 N ATOM 1457 CA LYS A 103 -8.243 -2.963 4.045 1.00 15.13 C ATOM 1458 C LYS A 103 -7.003 -2.559 3.255 1.00 72.14 C ATOM 1459 O LYS A 103 -5.976 -2.204 3.832 1.00 12.21 O ATOM 1460 CB LYS A 103 -8.322 -4.488 4.148 1.00 3.20 C ATOM 1461 CG LYS A 103 -8.786 -4.983 5.507 1.00 43.11 C ATOM 1462 CD LYS A 103 -7.787 -4.635 6.598 1.00 60.00 C ATOM 1463 CE LYS A 103 -7.296 -5.880 7.322 1.00 50.44 C ATOM 1464 NZ LYS A 103 -6.009 -6.376 6.761 1.00 42.33 N ATOM 0 H LYS A 103 -10.059 -3.146 3.012 1.00 2.35 H new ATOM 0 HA LYS A 103 -8.166 -2.541 5.047 1.00 15.13 H new ATOM 0 HB2 LYS A 103 -9.003 -4.861 3.383 1.00 3.20 H new ATOM 0 HB3 LYS A 103 -7.340 -4.910 3.933 1.00 3.20 H new ATOM 0 HG2 LYS A 103 -9.754 -4.542 5.745 1.00 43.11 H new ATOM 0 HG3 LYS A 103 -8.927 -6.063 5.473 1.00 43.11 H new ATOM 0 HD2 LYS A 103 -6.938 -4.108 6.161 1.00 60.00 H new ATOM 0 HD3 LYS A 103 -8.250 -3.955 7.314 1.00 60.00 H new ATOM 0 HE2 LYS A 103 -7.169 -5.658 8.381 1.00 50.44 H new ATOM 0 HE3 LYS A 103 -8.050 -6.664 7.249 1.00 50.44 H new ATOM 0 HZ1 LYS A 103 -5.708 -7.225 7.281 1.00 42.33 H new ATOM 0 HZ2 LYS A 103 -6.136 -6.612 5.756 1.00 42.33 H new ATOM 0 HZ3 LYS A 103 -5.282 -5.638 6.853 1.00 42.33 H new ATOM 1478 N MET A 104 -7.107 -2.615 1.931 1.00 42.12 N ATOM 1479 CA MET A 104 -5.993 -2.252 1.062 1.00 55.05 C ATOM 1480 C MET A 104 -5.721 -0.752 1.125 1.00 60.44 C ATOM 1481 O MET A 104 -4.575 -0.325 1.274 1.00 73.13 O ATOM 1482 CB MET A 104 -6.288 -2.668 -0.381 1.00 21.52 C ATOM 1483 CG MET A 104 -5.843 -4.085 -0.707 1.00 41.22 C ATOM 1484 SD MET A 104 -6.787 -4.815 -2.059 1.00 22.33 S ATOM 1485 CE MET A 104 -6.535 -6.560 -1.743 1.00 61.31 C ATOM 0 H MET A 104 -7.950 -2.908 1.437 1.00 42.12 H new ATOM 0 HA MET A 104 -5.105 -2.780 1.411 1.00 55.05 H new ATOM 0 HB2 MET A 104 -7.359 -2.581 -0.564 1.00 21.52 H new ATOM 0 HB3 MET A 104 -5.791 -1.974 -1.059 1.00 21.52 H new ATOM 0 HG2 MET A 104 -4.785 -4.078 -0.970 1.00 41.22 H new ATOM 0 HG3 MET A 104 -5.947 -4.708 0.181 1.00 41.22 H new ATOM 0 HE1 MET A 104 -7.059 -7.146 -2.498 1.00 61.31 H new ATOM 0 HE2 MET A 104 -5.470 -6.787 -1.783 1.00 61.31 H new ATOM 0 HE3 MET A 104 -6.923 -6.811 -0.756 1.00 61.31 H new ATOM 1495 N LEU A 105 -6.779 0.042 1.010 1.00 75.11 N ATOM 1496 CA LEU A 105 -6.654 1.495 1.054 1.00 71.33 C ATOM 1497 C LEU A 105 -5.944 1.942 2.328 1.00 73.15 C ATOM 1498 O LEU A 105 -5.235 2.948 2.334 1.00 0.24 O ATOM 1499 CB LEU A 105 -8.035 2.148 0.969 1.00 4.22 C ATOM 1500 CG LEU A 105 -8.624 2.293 -0.434 1.00 70.13 C ATOM 1501 CD1 LEU A 105 -10.136 2.444 -0.365 1.00 43.35 C ATOM 1502 CD2 LEU A 105 -8.000 3.479 -1.155 1.00 63.22 C ATOM 0 H LEU A 105 -7.734 -0.295 0.886 1.00 75.11 H new ATOM 0 HA LEU A 105 -6.057 1.810 0.198 1.00 71.33 H new ATOM 0 HB2 LEU A 105 -8.729 1.564 1.574 1.00 4.22 H new ATOM 0 HB3 LEU A 105 -7.975 3.138 1.420 1.00 4.22 H new ATOM 0 HG LEU A 105 -8.395 1.389 -0.998 1.00 70.13 H new ATOM 0 HD11 LEU A 105 -10.538 2.546 -1.373 1.00 43.35 H new ATOM 0 HD12 LEU A 105 -10.568 1.564 0.111 1.00 43.35 H new ATOM 0 HD13 LEU A 105 -10.387 3.331 0.217 1.00 43.35 H new ATOM 0 HD21 LEU A 105 -8.431 3.567 -2.152 1.00 63.22 H new ATOM 0 HD22 LEU A 105 -8.197 4.392 -0.593 1.00 63.22 H new ATOM 0 HD23 LEU A 105 -6.923 3.329 -1.237 1.00 63.22 H new ATOM 1514 N TYR A 106 -6.139 1.187 3.403 1.00 64.31 N ATOM 1515 CA TYR A 106 -5.517 1.505 4.683 1.00 52.21 C ATOM 1516 C TYR A 106 -3.997 1.529 4.559 1.00 2.15 C ATOM 1517 O TYR A 106 -3.321 2.313 5.226 1.00 41.35 O ATOM 1518 CB TYR A 106 -5.938 0.488 5.745 1.00 61.01 C ATOM 1519 CG TYR A 106 -5.189 0.631 7.050 1.00 23.35 C ATOM 1520 CD1 TYR A 106 -5.018 1.876 7.643 1.00 30.34 C ATOM 1521 CD2 TYR A 106 -4.651 -0.479 7.691 1.00 43.24 C ATOM 1522 CE1 TYR A 106 -4.334 2.011 8.836 1.00 44.32 C ATOM 1523 CE2 TYR A 106 -3.966 -0.353 8.884 1.00 52.02 C ATOM 1524 CZ TYR A 106 -3.810 0.894 9.452 1.00 31.03 C ATOM 1525 OH TYR A 106 -3.128 1.024 10.640 1.00 24.32 O ATOM 0 H TYR A 106 -6.723 0.351 3.414 1.00 64.31 H new ATOM 0 HA TYR A 106 -5.854 2.496 4.986 1.00 52.21 H new ATOM 0 HB2 TYR A 106 -7.006 0.595 5.935 1.00 61.01 H new ATOM 0 HB3 TYR A 106 -5.783 -0.518 5.355 1.00 61.01 H new ATOM 0 HD1 TYR A 106 -5.427 2.753 7.163 1.00 30.34 H new ATOM 0 HD2 TYR A 106 -4.771 -1.457 7.249 1.00 43.24 H new ATOM 0 HE1 TYR A 106 -4.210 2.986 9.284 1.00 44.32 H new ATOM 0 HE2 TYR A 106 -3.555 -1.226 9.369 1.00 52.02 H new ATOM 0 HH TYR A 106 -3.483 1.789 11.139 1.00 24.32 H new ATOM 1535 N SER A 107 -3.466 0.664 3.701 1.00 4.14 N ATOM 1536 CA SER A 107 -2.025 0.582 3.491 1.00 1.45 C ATOM 1537 C SER A 107 -1.591 1.487 2.342 1.00 12.54 C ATOM 1538 O SER A 107 -0.552 2.143 2.413 1.00 50.55 O ATOM 1539 CB SER A 107 -1.611 -0.862 3.202 1.00 14.11 C ATOM 1540 OG SER A 107 -0.208 -0.967 3.035 1.00 11.13 O ATOM 0 H SER A 107 -4.012 0.010 3.140 1.00 4.14 H new ATOM 0 HA SER A 107 -1.531 0.918 4.402 1.00 1.45 H new ATOM 0 HB2 SER A 107 -1.932 -1.506 4.020 1.00 14.11 H new ATOM 0 HB3 SER A 107 -2.115 -1.215 2.302 1.00 14.11 H new ATOM 0 HG SER A 107 0.031 -1.900 2.853 1.00 11.13 H new ATOM 1546 N SER A 108 -2.396 1.517 1.285 1.00 43.03 N ATOM 1547 CA SER A 108 -2.094 2.338 0.118 1.00 54.11 C ATOM 1548 C SER A 108 -2.071 3.818 0.487 1.00 44.33 C ATOM 1549 O SER A 108 -1.195 4.565 0.048 1.00 33.52 O ATOM 1550 CB SER A 108 -3.126 2.092 -0.985 1.00 42.21 C ATOM 1551 OG SER A 108 -3.433 3.292 -1.673 1.00 43.51 O ATOM 0 H SER A 108 -3.262 0.983 1.212 1.00 43.03 H new ATOM 0 HA SER A 108 -1.107 2.057 -0.248 1.00 54.11 H new ATOM 0 HB2 SER A 108 -2.742 1.354 -1.689 1.00 42.21 H new ATOM 0 HB3 SER A 108 -4.035 1.675 -0.551 1.00 42.21 H new ATOM 0 HG SER A 108 -4.093 3.108 -2.373 1.00 43.51 H new ATOM 1557 N SER A 109 -3.039 4.236 1.296 1.00 61.22 N ATOM 1558 CA SER A 109 -3.133 5.627 1.722 1.00 45.35 C ATOM 1559 C SER A 109 -2.159 5.913 2.861 1.00 14.42 C ATOM 1560 O SER A 109 -1.732 7.051 3.056 1.00 1.40 O ATOM 1561 CB SER A 109 -4.561 5.953 2.162 1.00 50.03 C ATOM 1562 OG SER A 109 -4.701 7.331 2.461 1.00 42.10 O ATOM 0 H SER A 109 -3.770 3.631 1.670 1.00 61.22 H new ATOM 0 HA SER A 109 -2.869 6.259 0.874 1.00 45.35 H new ATOM 0 HB2 SER A 109 -5.260 5.676 1.373 1.00 50.03 H new ATOM 0 HB3 SER A 109 -4.819 5.359 3.039 1.00 50.03 H new ATOM 0 HG SER A 109 -5.490 7.465 3.026 1.00 42.10 H new ATOM 1568 N ARG A 110 -1.814 4.872 3.611 1.00 3.11 N ATOM 1569 CA ARG A 110 -0.892 5.010 4.732 1.00 13.44 C ATOM 1570 C ARG A 110 0.430 5.622 4.278 1.00 54.15 C ATOM 1571 O ARG A 110 1.018 6.445 4.979 1.00 41.32 O ATOM 1572 CB ARG A 110 -0.639 3.649 5.383 1.00 15.33 C ATOM 1573 CG ARG A 110 -1.143 3.556 6.815 1.00 65.35 C ATOM 1574 CD ARG A 110 -0.669 2.278 7.489 1.00 5.02 C ATOM 1575 NE ARG A 110 -1.314 1.093 6.932 1.00 72.33 N ATOM 1576 CZ ARG A 110 -0.882 -0.146 7.140 1.00 62.05 C ATOM 1577 NH1 ARG A 110 0.191 -0.360 7.889 1.00 60.34 N ATOM 1578 NH2 ARG A 110 -1.523 -1.174 6.598 1.00 53.41 N ATOM 0 H ARG A 110 -2.159 3.924 3.463 1.00 3.11 H new ATOM 0 HA ARG A 110 -1.348 5.676 5.464 1.00 13.44 H new ATOM 0 HB2 ARG A 110 -1.121 2.875 4.786 1.00 15.33 H new ATOM 0 HB3 ARG A 110 0.431 3.442 5.369 1.00 15.33 H new ATOM 0 HG2 ARG A 110 -0.794 4.419 7.382 1.00 65.35 H new ATOM 0 HG3 ARG A 110 -2.232 3.590 6.822 1.00 65.35 H new ATOM 0 HD2 ARG A 110 0.412 2.189 7.377 1.00 5.02 H new ATOM 0 HD3 ARG A 110 -0.875 2.334 8.558 1.00 5.02 H new ATOM 0 HE ARG A 110 -2.142 1.223 6.351 1.00 72.33 H new ATOM 0 HH11 ARG A 110 0.687 0.428 8.307 1.00 60.34 H new ATOM 0 HH12 ARG A 110 0.521 -1.312 8.047 1.00 60.34 H new ATOM 0 HH21 ARG A 110 -2.349 -1.013 6.021 1.00 53.41 H new ATOM 0 HH22 ARG A 110 -1.190 -2.125 6.759 1.00 53.41 H new ATOM 1592 N ASP A 111 0.890 5.214 3.100 1.00 23.44 N ATOM 1593 CA ASP A 111 2.142 5.721 2.551 1.00 2.54 C ATOM 1594 C ASP A 111 2.069 7.230 2.336 1.00 20.13 C ATOM 1595 O ASP A 111 3.027 7.953 2.608 1.00 21.21 O ATOM 1596 CB ASP A 111 2.466 5.021 1.231 1.00 23.31 C ATOM 1597 CG ASP A 111 3.907 4.555 1.161 1.00 4.31 C ATOM 1598 OD1 ASP A 111 4.811 5.417 1.180 1.00 42.24 O ATOM 1599 OD2 ASP A 111 4.132 3.329 1.089 1.00 54.13 O ATOM 0 H ASP A 111 0.414 4.534 2.507 1.00 23.44 H new ATOM 0 HA ASP A 111 2.936 5.512 3.268 1.00 2.54 H new ATOM 0 HB2 ASP A 111 1.804 4.164 1.105 1.00 23.31 H new ATOM 0 HB3 ASP A 111 2.267 5.702 0.404 1.00 23.31 H new ATOM 1604 N ALA A 112 0.926 7.698 1.846 1.00 70.35 N ATOM 1605 CA ALA A 112 0.727 9.120 1.595 1.00 64.22 C ATOM 1606 C ALA A 112 0.408 9.866 2.886 1.00 62.40 C ATOM 1607 O ALA A 112 0.637 11.071 2.991 1.00 14.53 O ATOM 1608 CB ALA A 112 -0.383 9.326 0.575 1.00 12.05 C ATOM 0 H ALA A 112 0.123 7.113 1.615 1.00 70.35 H new ATOM 0 HA ALA A 112 1.655 9.526 1.192 1.00 64.22 H new ATOM 0 HB1 ALA A 112 -0.521 10.393 0.397 1.00 12.05 H new ATOM 0 HB2 ALA A 112 -0.114 8.834 -0.360 1.00 12.05 H new ATOM 0 HB3 ALA A 112 -1.311 8.899 0.956 1.00 12.05 H new ATOM 1614 N LEU A 113 -0.121 9.142 3.866 1.00 15.00 N ATOM 1615 CA LEU A 113 -0.473 9.736 5.151 1.00 31.34 C ATOM 1616 C LEU A 113 0.744 9.810 6.068 1.00 32.21 C ATOM 1617 O LEU A 113 0.788 10.620 6.994 1.00 22.42 O ATOM 1618 CB LEU A 113 -1.583 8.925 5.823 1.00 52.50 C ATOM 1619 CG LEU A 113 -3.005 9.459 5.645 1.00 11.01 C ATOM 1620 CD1 LEU A 113 -4.009 8.316 5.650 1.00 4.34 C ATOM 1621 CD2 LEU A 113 -3.337 10.467 6.736 1.00 44.45 C ATOM 0 H LEU A 113 -0.316 8.143 3.796 1.00 15.00 H new ATOM 0 HA LEU A 113 -0.831 10.749 4.969 1.00 31.34 H new ATOM 0 HB2 LEU A 113 -1.547 7.907 5.435 1.00 52.50 H new ATOM 0 HB3 LEU A 113 -1.369 8.868 6.890 1.00 52.50 H new ATOM 0 HG LEU A 113 -3.065 9.964 4.681 1.00 11.01 H new ATOM 0 HD11 LEU A 113 -5.015 8.715 5.522 1.00 4.34 H new ATOM 0 HD12 LEU A 113 -3.784 7.631 4.833 1.00 4.34 H new ATOM 0 HD13 LEU A 113 -3.948 7.782 6.598 1.00 4.34 H new ATOM 0 HD21 LEU A 113 -4.353 10.836 6.593 1.00 44.45 H new ATOM 0 HD22 LEU A 113 -3.259 9.986 7.711 1.00 44.45 H new ATOM 0 HD23 LEU A 113 -2.637 11.301 6.686 1.00 44.45 H new ATOM 1633 N VAL A 114 1.731 8.960 5.802 1.00 1.34 N ATOM 1634 CA VAL A 114 2.951 8.932 6.601 1.00 34.50 C ATOM 1635 C VAL A 114 3.594 10.312 6.671 1.00 22.32 C ATOM 1636 O VAL A 114 3.845 10.853 7.748 1.00 14.31 O ATOM 1637 CB VAL A 114 3.972 7.929 6.030 1.00 14.35 C ATOM 1638 CG1 VAL A 114 5.391 8.380 6.337 1.00 5.42 C ATOM 1639 CG2 VAL A 114 3.715 6.535 6.583 1.00 42.41 C ATOM 0 H VAL A 114 1.710 8.282 5.040 1.00 1.34 H new ATOM 0 HA VAL A 114 2.666 8.617 7.605 1.00 34.50 H new ATOM 0 HB VAL A 114 3.854 7.893 4.947 1.00 14.35 H new ATOM 0 HG11 VAL A 114 6.099 7.660 5.926 1.00 5.42 H new ATOM 0 HG12 VAL A 114 5.567 9.358 5.889 1.00 5.42 H new ATOM 0 HG13 VAL A 114 5.526 8.446 7.417 1.00 5.42 H new ATOM 0 HG21 VAL A 114 4.445 5.839 6.169 1.00 42.41 H new ATOM 0 HG22 VAL A 114 3.805 6.552 7.669 1.00 42.41 H new ATOM 0 HG23 VAL A 114 2.711 6.214 6.307 1.00 42.41 H new ATOM 1649 N PRO A 115 3.869 10.897 5.496 1.00 61.21 N ATOM 1650 CA PRO A 115 4.486 12.223 5.397 1.00 65.31 C ATOM 1651 C PRO A 115 3.544 13.336 5.842 1.00 20.30 C ATOM 1652 O PRO A 115 3.974 14.331 6.427 1.00 23.41 O ATOM 1653 CB PRO A 115 4.804 12.356 3.905 1.00 22.55 C ATOM 1654 CG PRO A 115 3.828 11.456 3.229 1.00 40.43 C ATOM 1655 CD PRO A 115 3.598 10.309 4.173 1.00 13.32 C ATOM 0 HA PRO A 115 5.359 12.315 6.043 1.00 65.31 H new ATOM 0 HB2 PRO A 115 4.693 13.386 3.567 1.00 22.55 H new ATOM 0 HB3 PRO A 115 5.831 12.059 3.691 1.00 22.55 H new ATOM 0 HG2 PRO A 115 2.896 11.980 3.018 1.00 40.43 H new ATOM 0 HG3 PRO A 115 4.219 11.103 2.275 1.00 40.43 H new ATOM 0 HD2 PRO A 115 2.579 9.929 4.103 1.00 13.32 H new ATOM 0 HD3 PRO A 115 4.265 9.473 3.960 1.00 13.32 H new ATOM 1663 N LEU A 116 2.257 13.162 5.562 1.00 21.12 N ATOM 1664 CA LEU A 116 1.253 14.152 5.935 1.00 53.24 C ATOM 1665 C LEU A 116 1.116 14.245 7.451 1.00 52.41 C ATOM 1666 O LEU A 116 0.961 15.334 8.006 1.00 72.20 O ATOM 1667 CB LEU A 116 -0.098 13.797 5.310 1.00 1.31 C ATOM 1668 CG LEU A 116 -1.034 14.972 5.024 1.00 35.32 C ATOM 1669 CD1 LEU A 116 -1.352 15.726 6.306 1.00 23.23 C ATOM 1670 CD2 LEU A 116 -0.419 15.906 3.992 1.00 32.33 C ATOM 0 H LEU A 116 1.884 12.345 5.078 1.00 21.12 H new ATOM 0 HA LEU A 116 1.578 15.122 5.558 1.00 53.24 H new ATOM 0 HB2 LEU A 116 0.085 13.268 4.375 1.00 1.31 H new ATOM 0 HB3 LEU A 116 -0.612 13.102 5.974 1.00 1.31 H new ATOM 0 HG LEU A 116 -1.966 14.578 4.618 1.00 35.32 H new ATOM 0 HD11 LEU A 116 -2.019 16.559 6.083 1.00 23.23 H new ATOM 0 HD12 LEU A 116 -1.836 15.053 7.013 1.00 23.23 H new ATOM 0 HD13 LEU A 116 -0.429 16.108 6.742 1.00 23.23 H new ATOM 0 HD21 LEU A 116 -1.099 16.736 3.801 1.00 32.33 H new ATOM 0 HD22 LEU A 116 0.528 16.292 4.369 1.00 32.33 H new ATOM 0 HD23 LEU A 116 -0.244 15.360 3.065 1.00 32.33 H new ATOM 1682 N THR A 117 1.176 13.097 8.117 1.00 23.53 N ATOM 1683 CA THR A 117 1.060 13.048 9.569 1.00 3.12 C ATOM 1684 C THR A 117 2.184 12.222 10.183 1.00 24.33 C ATOM 1685 O THR A 117 1.938 11.190 10.807 1.00 62.44 O ATOM 1686 CB THR A 117 -0.294 12.457 10.005 1.00 25.33 C ATOM 1687 OG1 THR A 117 -0.372 11.079 9.624 1.00 25.45 O ATOM 1688 CG2 THR A 117 -1.447 13.227 9.380 1.00 21.13 C ATOM 0 H THR A 117 1.304 12.187 7.674 1.00 23.53 H new ATOM 0 HA THR A 117 1.131 14.075 9.926 1.00 3.12 H new ATOM 0 HB THR A 117 -0.369 12.539 11.089 1.00 25.33 H new ATOM 0 HG1 THR A 117 0.367 10.584 10.035 1.00 25.45 H new ATOM 0 HG21 THR A 117 -2.393 12.791 9.702 1.00 21.13 H new ATOM 0 HG22 THR A 117 -1.402 14.269 9.695 1.00 21.13 H new ATOM 0 HG23 THR A 117 -1.374 13.173 8.294 1.00 21.13 H new ATOM 1696 N GLN A 118 3.418 12.683 10.004 1.00 71.14 N ATOM 1697 CA GLN A 118 4.580 11.985 10.541 1.00 72.21 C ATOM 1698 C GLN A 118 4.839 12.393 11.987 1.00 4.22 C ATOM 1699 O GLN A 118 4.793 13.575 12.327 1.00 20.31 O ATOM 1700 CB GLN A 118 5.815 12.275 9.687 1.00 24.20 C ATOM 1701 CG GLN A 118 6.086 13.758 9.492 1.00 74.02 C ATOM 1702 CD GLN A 118 7.557 14.104 9.613 1.00 55.12 C ATOM 1703 OE1 GLN A 118 8.101 14.176 10.715 1.00 15.02 O ATOM 1704 NE2 GLN A 118 8.209 14.321 8.477 1.00 24.40 N ATOM 0 H GLN A 118 3.639 13.537 9.491 1.00 71.14 H new ATOM 0 HA GLN A 118 4.374 10.915 10.516 1.00 72.21 H new ATOM 0 HB2 GLN A 118 6.685 11.813 10.153 1.00 24.20 H new ATOM 0 HB3 GLN A 118 5.690 11.806 8.711 1.00 24.20 H new ATOM 0 HG2 GLN A 118 5.725 14.063 8.510 1.00 74.02 H new ATOM 0 HG3 GLN A 118 5.521 14.327 10.231 1.00 74.02 H new ATOM 0 HE21 GLN A 118 7.718 14.251 7.586 1.00 24.40 H new ATOM 0 HE22 GLN A 118 9.201 14.558 8.496 1.00 24.40 H new ATOM 1713 N GLY A 119 5.113 11.407 12.836 1.00 74.31 N ATOM 1714 CA GLY A 119 5.375 11.684 14.236 1.00 60.10 C ATOM 1715 C GLY A 119 4.307 11.116 15.150 1.00 62.25 C ATOM 1716 O GLY A 119 4.358 11.301 16.366 1.00 73.43 O ATOM 0 H GLY A 119 5.158 10.421 12.579 1.00 74.31 H new ATOM 0 HA2 GLY A 119 6.344 11.266 14.511 1.00 60.10 H new ATOM 0 HA3 GLY A 119 5.439 12.762 14.384 1.00 60.10 H new ATOM 1720 N PHE A 120 3.336 10.424 14.563 1.00 21.52 N ATOM 1721 CA PHE A 120 2.249 9.829 15.332 1.00 24.34 C ATOM 1722 C PHE A 120 2.169 8.325 15.087 1.00 21.21 C ATOM 1723 O PHE A 120 2.652 7.825 14.072 1.00 43.14 O ATOM 1724 CB PHE A 120 0.918 10.488 14.968 1.00 53.12 C ATOM 1725 CG PHE A 120 1.021 11.971 14.756 1.00 45.43 C ATOM 1726 CD1 PHE A 120 1.734 12.763 15.642 1.00 40.12 C ATOM 1727 CD2 PHE A 120 0.406 12.574 13.670 1.00 11.15 C ATOM 1728 CE1 PHE A 120 1.832 14.128 15.449 1.00 12.45 C ATOM 1729 CE2 PHE A 120 0.501 13.939 13.473 1.00 74.33 C ATOM 1730 CZ PHE A 120 1.213 14.717 14.364 1.00 63.01 C ATOM 0 H PHE A 120 3.280 10.261 13.558 1.00 21.52 H new ATOM 0 HA PHE A 120 2.452 9.997 16.390 1.00 24.34 H new ATOM 0 HB2 PHE A 120 0.529 10.026 14.061 1.00 53.12 H new ATOM 0 HB3 PHE A 120 0.196 10.292 15.761 1.00 53.12 H new ATOM 0 HD1 PHE A 120 2.219 12.308 16.493 1.00 40.12 H new ATOM 0 HD2 PHE A 120 -0.153 11.971 12.970 1.00 11.15 H new ATOM 0 HE1 PHE A 120 2.392 14.734 16.146 1.00 12.45 H new ATOM 0 HE2 PHE A 120 0.018 14.397 12.622 1.00 74.33 H new ATOM 0 HZ PHE A 120 1.286 15.784 14.213 1.00 63.01 H new ATOM 1740 N GLN A 121 1.556 7.610 16.025 1.00 0.22 N ATOM 1741 CA GLN A 121 1.414 6.164 15.912 1.00 74.52 C ATOM 1742 C GLN A 121 0.016 5.790 15.427 1.00 5.42 C ATOM 1743 O GLN A 121 -0.982 6.134 16.058 1.00 75.22 O ATOM 1744 CB GLN A 121 1.695 5.495 17.259 1.00 54.04 C ATOM 1745 CG GLN A 121 3.090 5.771 17.795 1.00 31.23 C ATOM 1746 CD GLN A 121 4.179 5.198 16.910 1.00 4.42 C ATOM 1747 OE1 GLN A 121 4.009 4.143 16.300 1.00 75.24 O ATOM 1748 NE2 GLN A 121 5.308 5.894 16.836 1.00 62.33 N ATOM 0 H GLN A 121 1.150 8.009 16.871 1.00 0.22 H new ATOM 0 HA GLN A 121 2.140 5.810 15.180 1.00 74.52 H new ATOM 0 HB2 GLN A 121 0.960 5.839 17.987 1.00 54.04 H new ATOM 0 HB3 GLN A 121 1.561 4.418 17.156 1.00 54.04 H new ATOM 0 HG2 GLN A 121 3.233 6.848 17.889 1.00 31.23 H new ATOM 0 HG3 GLN A 121 3.181 5.349 18.796 1.00 31.23 H new ATOM 0 HE21 GLN A 121 5.406 6.764 17.359 1.00 62.33 H new ATOM 0 HE22 GLN A 121 6.077 5.558 16.256 1.00 62.33 H new ATOM 1757 N GLY A 122 -0.046 5.085 14.302 1.00 63.02 N ATOM 1758 CA GLY A 122 -1.325 4.677 13.751 1.00 12.54 C ATOM 1759 C GLY A 122 -1.613 3.207 13.980 1.00 22.13 C ATOM 1760 O GLY A 122 -0.855 2.343 13.538 1.00 43.30 O ATOM 0 H GLY A 122 0.767 4.789 13.762 1.00 63.02 H new ATOM 0 HA2 GLY A 122 -2.118 5.274 14.202 1.00 12.54 H new ATOM 0 HA3 GLY A 122 -1.339 4.884 12.681 1.00 12.54 H new ATOM 1764 N ILE A 123 -2.709 2.921 14.674 1.00 14.22 N ATOM 1765 CA ILE A 123 -3.094 1.545 14.961 1.00 32.03 C ATOM 1766 C ILE A 123 -4.563 1.304 14.630 1.00 12.53 C ATOM 1767 O ILE A 123 -5.449 1.954 15.186 1.00 25.32 O ATOM 1768 CB ILE A 123 -2.847 1.188 16.439 1.00 14.00 C ATOM 1769 CG1 ILE A 123 -1.409 1.528 16.835 1.00 13.43 C ATOM 1770 CG2 ILE A 123 -3.135 -0.286 16.683 1.00 12.21 C ATOM 1771 CD1 ILE A 123 -1.289 2.807 17.635 1.00 73.21 C ATOM 0 H ILE A 123 -3.346 3.624 15.048 1.00 14.22 H new ATOM 0 HA ILE A 123 -2.473 0.906 14.333 1.00 32.03 H new ATOM 0 HB ILE A 123 -3.523 1.778 17.058 1.00 14.00 H new ATOM 0 HG12 ILE A 123 -0.997 0.704 17.418 1.00 13.43 H new ATOM 0 HG13 ILE A 123 -0.803 1.615 15.933 1.00 13.43 H new ATOM 0 HG21 ILE A 123 -2.956 -0.523 17.732 1.00 12.21 H new ATOM 0 HG22 ILE A 123 -4.175 -0.499 16.435 1.00 12.21 H new ATOM 0 HG23 ILE A 123 -2.481 -0.893 16.057 1.00 12.21 H new ATOM 0 HD11 ILE A 123 -0.242 2.985 17.881 1.00 73.21 H new ATOM 0 HD12 ILE A 123 -1.671 3.641 17.047 1.00 73.21 H new ATOM 0 HD13 ILE A 123 -1.867 2.717 18.554 1.00 73.21 H new ATOM 1783 N GLN A 124 -4.814 0.366 13.723 1.00 43.21 N ATOM 1784 CA GLN A 124 -6.176 0.039 13.319 1.00 50.20 C ATOM 1785 C GLN A 124 -6.801 -0.969 14.278 1.00 50.31 C ATOM 1786 O GLN A 124 -6.159 -1.939 14.679 1.00 72.13 O ATOM 1787 CB GLN A 124 -6.188 -0.519 11.895 1.00 52.33 C ATOM 1788 CG GLN A 124 -5.855 -2.000 11.819 1.00 44.24 C ATOM 1789 CD GLN A 124 -4.494 -2.323 12.405 1.00 14.41 C ATOM 1790 OE1 GLN A 124 -4.354 -3.247 13.206 1.00 74.40 O ATOM 1791 NE2 GLN A 124 -3.482 -1.560 12.008 1.00 13.04 N ATOM 0 H GLN A 124 -4.092 -0.181 13.254 1.00 43.21 H new ATOM 0 HA GLN A 124 -6.766 0.955 13.348 1.00 50.20 H new ATOM 0 HB2 GLN A 124 -7.172 -0.354 11.457 1.00 52.33 H new ATOM 0 HB3 GLN A 124 -5.472 0.037 11.290 1.00 52.33 H new ATOM 0 HG2 GLN A 124 -6.619 -2.568 12.350 1.00 44.24 H new ATOM 0 HG3 GLN A 124 -5.884 -2.322 10.778 1.00 44.24 H new ATOM 0 HE21 GLN A 124 -3.644 -0.805 11.342 1.00 13.04 H new ATOM 0 HE22 GLN A 124 -2.543 -1.730 12.369 1.00 13.04 H new ATOM 1800 N ALA A 125 -8.057 -0.731 14.642 1.00 21.40 N ATOM 1801 CA ALA A 125 -8.769 -1.619 15.553 1.00 71.34 C ATOM 1802 C ALA A 125 -10.259 -1.655 15.231 1.00 73.10 C ATOM 1803 O ALA A 125 -10.907 -0.614 15.128 1.00 23.13 O ATOM 1804 CB ALA A 125 -8.548 -1.185 16.994 1.00 55.41 C ATOM 0 H ALA A 125 -8.602 0.069 14.320 1.00 21.40 H new ATOM 0 HA ALA A 125 -8.372 -2.626 15.424 1.00 71.34 H new ATOM 0 HB1 ALA A 125 -9.086 -1.857 17.663 1.00 55.41 H new ATOM 0 HB2 ALA A 125 -7.483 -1.218 17.225 1.00 55.41 H new ATOM 0 HB3 ALA A 125 -8.917 -0.168 17.128 1.00 55.41 H new ATOM 1810 N ASN A 126 -10.797 -2.860 15.072 1.00 21.23 N ATOM 1811 CA ASN A 126 -12.211 -3.031 14.761 1.00 74.12 C ATOM 1812 C ASN A 126 -13.014 -3.331 16.023 1.00 11.42 C ATOM 1813 O ASN A 126 -12.456 -3.726 17.047 1.00 60.12 O ATOM 1814 CB ASN A 126 -12.398 -4.159 13.744 1.00 35.23 C ATOM 1815 CG ASN A 126 -12.282 -5.533 14.377 1.00 42.42 C ATOM 1816 OD1 ASN A 126 -11.188 -5.977 14.726 1.00 41.42 O ATOM 1817 ND2 ASN A 126 -13.412 -6.213 14.527 1.00 15.41 N ATOM 0 H ASN A 126 -10.275 -3.732 15.153 1.00 21.23 H new ATOM 0 HA ASN A 126 -12.578 -2.099 14.332 1.00 74.12 H new ATOM 0 HB2 ASN A 126 -13.376 -4.061 13.272 1.00 35.23 H new ATOM 0 HB3 ASN A 126 -11.652 -4.061 12.955 1.00 35.23 H new ATOM 0 HD21 ASN A 126 -13.396 -7.143 14.946 1.00 15.41 H new ATOM 0 HD22 ASN A 126 -14.296 -5.806 14.223 1.00 15.41 H new ATOM 1824 N ASP A 127 -14.326 -3.140 15.942 1.00 12.23 N ATOM 1825 CA ASP A 127 -15.207 -3.391 17.077 1.00 22.03 C ATOM 1826 C ASP A 127 -14.891 -2.444 18.230 1.00 3.44 C ATOM 1827 O ASP A 127 -14.217 -1.430 18.047 1.00 34.01 O ATOM 1828 CB ASP A 127 -15.074 -4.842 17.542 1.00 62.10 C ATOM 1829 CG ASP A 127 -16.410 -5.457 17.909 1.00 21.23 C ATOM 1830 OD1 ASP A 127 -17.081 -6.002 17.007 1.00 4.03 O ATOM 1831 OD2 ASP A 127 -16.784 -5.395 19.099 1.00 54.33 O ATOM 0 H ASP A 127 -14.803 -2.812 15.102 1.00 12.23 H new ATOM 0 HA ASP A 127 -16.233 -3.213 16.755 1.00 22.03 H new ATOM 0 HB2 ASP A 127 -14.610 -5.433 16.752 1.00 62.10 H new ATOM 0 HB3 ASP A 127 -14.409 -4.885 18.404 1.00 62.10 H new ATOM 1836 N ALA A 128 -15.382 -2.781 19.418 1.00 13.33 N ATOM 1837 CA ALA A 128 -15.152 -1.961 20.601 1.00 4.21 C ATOM 1838 C ALA A 128 -13.665 -1.685 20.796 1.00 25.35 C ATOM 1839 O ALA A 128 -13.283 -0.680 21.396 1.00 33.34 O ATOM 1840 CB ALA A 128 -15.731 -2.638 21.834 1.00 32.21 C ATOM 0 H ALA A 128 -15.942 -3.617 19.587 1.00 13.33 H new ATOM 0 HA ALA A 128 -15.657 -1.006 20.454 1.00 4.21 H new ATOM 0 HB1 ALA A 128 -15.552 -2.014 22.710 1.00 32.21 H new ATOM 0 HB2 ALA A 128 -16.804 -2.778 21.702 1.00 32.21 H new ATOM 0 HB3 ALA A 128 -15.253 -3.607 21.975 1.00 32.21 H new ATOM 1846 N SER A 129 -12.829 -2.584 20.287 1.00 62.42 N ATOM 1847 CA SER A 129 -11.383 -2.440 20.409 1.00 21.14 C ATOM 1848 C SER A 129 -10.909 -1.146 19.755 1.00 3.12 C ATOM 1849 O SER A 129 -9.824 -0.648 20.052 1.00 24.33 O ATOM 1850 CB SER A 129 -10.674 -3.637 19.772 1.00 2.42 C ATOM 1851 OG SER A 129 -9.960 -4.382 20.743 1.00 63.32 O ATOM 0 H SER A 129 -13.128 -3.420 19.786 1.00 62.42 H new ATOM 0 HA SER A 129 -11.135 -2.403 21.470 1.00 21.14 H new ATOM 0 HB2 SER A 129 -11.406 -4.279 19.282 1.00 2.42 H new ATOM 0 HB3 SER A 129 -9.988 -3.289 19.000 1.00 2.42 H new ATOM 0 HG SER A 129 -9.517 -5.142 20.311 1.00 63.32 H new ATOM 1857 N GLY A 130 -11.732 -0.606 18.861 1.00 2.34 N ATOM 1858 CA GLY A 130 -11.380 0.625 18.178 1.00 13.42 C ATOM 1859 C GLY A 130 -11.786 1.859 18.960 1.00 31.33 C ATOM 1860 O GLY A 130 -11.714 2.978 18.451 1.00 71.12 O ATOM 0 H GLY A 130 -12.636 -0.999 18.598 1.00 2.34 H new ATOM 0 HA2 GLY A 130 -10.304 0.646 18.005 1.00 13.42 H new ATOM 0 HA3 GLY A 130 -11.860 0.644 17.200 1.00 13.42 H new ATOM 1864 N LEU A 131 -12.216 1.656 20.201 1.00 64.31 N ATOM 1865 CA LEU A 131 -12.637 2.761 21.055 1.00 24.32 C ATOM 1866 C LEU A 131 -12.106 2.584 22.474 1.00 13.35 C ATOM 1867 O LEU A 131 -12.605 3.202 23.415 1.00 34.35 O ATOM 1868 CB LEU A 131 -14.163 2.861 21.078 1.00 42.14 C ATOM 1869 CG LEU A 131 -14.858 2.824 19.716 1.00 0.12 C ATOM 1870 CD1 LEU A 131 -16.369 2.847 19.888 1.00 61.25 C ATOM 1871 CD2 LEU A 131 -14.400 3.990 18.852 1.00 61.43 C ATOM 0 H LEU A 131 -12.282 0.737 20.638 1.00 64.31 H new ATOM 0 HA LEU A 131 -12.225 3.683 20.645 1.00 24.32 H new ATOM 0 HB2 LEU A 131 -14.552 2.043 21.684 1.00 42.14 H new ATOM 0 HB3 LEU A 131 -14.439 3.789 21.579 1.00 42.14 H new ATOM 0 HG LEU A 131 -14.584 1.896 19.214 1.00 0.12 H new ATOM 0 HD11 LEU A 131 -16.847 2.820 18.909 1.00 61.25 H new ATOM 0 HD12 LEU A 131 -16.682 1.979 20.469 1.00 61.25 H new ATOM 0 HD13 LEU A 131 -16.662 3.758 20.410 1.00 61.25 H new ATOM 0 HD21 LEU A 131 -14.905 3.948 17.887 1.00 61.43 H new ATOM 0 HD22 LEU A 131 -14.645 4.929 19.349 1.00 61.43 H new ATOM 0 HD23 LEU A 131 -13.322 3.930 18.701 1.00 61.43 H new ATOM 1883 N ASP A 132 -11.091 1.740 22.620 1.00 33.24 N ATOM 1884 CA ASP A 132 -10.491 1.485 23.924 1.00 25.45 C ATOM 1885 C ASP A 132 -9.539 2.611 24.314 1.00 1.33 C ATOM 1886 O ASP A 132 -8.375 2.621 23.914 1.00 43.22 O ATOM 1887 CB ASP A 132 -9.743 0.150 23.913 1.00 12.11 C ATOM 1888 CG ASP A 132 -9.848 -0.583 25.236 1.00 65.11 C ATOM 1889 OD1 ASP A 132 -10.942 -0.570 25.836 1.00 11.24 O ATOM 1890 OD2 ASP A 132 -8.834 -1.170 25.671 1.00 12.41 O ATOM 0 H ASP A 132 -10.666 1.221 21.851 1.00 33.24 H new ATOM 0 HA ASP A 132 -11.292 1.438 24.662 1.00 25.45 H new ATOM 0 HB2 ASP A 132 -10.143 -0.481 23.119 1.00 12.11 H new ATOM 0 HB3 ASP A 132 -8.693 0.327 23.681 1.00 12.11 H new ATOM 1895 N PHE A 133 -10.042 3.560 25.097 1.00 74.00 N ATOM 1896 CA PHE A 133 -9.238 4.693 25.539 1.00 22.14 C ATOM 1897 C PHE A 133 -7.956 4.218 26.218 1.00 72.04 C ATOM 1898 O PHE A 133 -6.888 4.796 26.022 1.00 2.31 O ATOM 1899 CB PHE A 133 -10.041 5.572 26.500 1.00 32.22 C ATOM 1900 CG PHE A 133 -11.337 6.064 25.921 1.00 4.42 C ATOM 1901 CD1 PHE A 133 -11.342 6.980 24.881 1.00 13.15 C ATOM 1902 CD2 PHE A 133 -12.549 5.612 26.417 1.00 22.01 C ATOM 1903 CE1 PHE A 133 -12.533 7.435 24.346 1.00 4.21 C ATOM 1904 CE2 PHE A 133 -13.742 6.063 25.885 1.00 11.05 C ATOM 1905 CZ PHE A 133 -13.734 6.977 24.850 1.00 70.34 C ATOM 0 H PHE A 133 -11.003 3.567 25.438 1.00 74.00 H new ATOM 0 HA PHE A 133 -8.968 5.279 24.661 1.00 22.14 H new ATOM 0 HB2 PHE A 133 -10.249 5.007 27.409 1.00 32.22 H new ATOM 0 HB3 PHE A 133 -9.433 6.429 26.790 1.00 32.22 H new ATOM 0 HD1 PHE A 133 -10.405 7.342 24.484 1.00 13.15 H new ATOM 0 HD2 PHE A 133 -12.562 4.899 27.228 1.00 22.01 H new ATOM 0 HE1 PHE A 133 -12.524 8.148 23.535 1.00 4.21 H new ATOM 0 HE2 PHE A 133 -14.680 5.701 26.279 1.00 11.05 H new ATOM 0 HZ PHE A 133 -14.666 7.333 24.435 1.00 70.34 H new ATOM 1915 N GLU A 134 -8.073 3.161 27.016 1.00 44.31 N ATOM 1916 CA GLU A 134 -6.924 2.610 27.724 1.00 23.43 C ATOM 1917 C GLU A 134 -5.821 2.213 26.747 1.00 41.22 C ATOM 1918 O GLU A 134 -4.635 2.305 27.063 1.00 13.02 O ATOM 1919 CB GLU A 134 -7.344 1.396 28.556 1.00 62.22 C ATOM 1920 CG GLU A 134 -6.966 1.503 30.023 1.00 2.15 C ATOM 1921 CD GLU A 134 -7.641 0.449 30.879 1.00 74.34 C ATOM 1922 OE1 GLU A 134 -7.453 -0.753 30.596 1.00 20.23 O ATOM 1923 OE2 GLU A 134 -8.358 0.825 31.829 1.00 34.01 O ATOM 0 H GLU A 134 -8.950 2.670 27.188 1.00 44.31 H new ATOM 0 HA GLU A 134 -6.536 3.381 28.389 1.00 23.43 H new ATOM 0 HB2 GLU A 134 -8.423 1.267 28.476 1.00 62.22 H new ATOM 0 HB3 GLU A 134 -6.884 0.501 28.136 1.00 62.22 H new ATOM 0 HG2 GLU A 134 -5.885 1.409 30.123 1.00 2.15 H new ATOM 0 HG3 GLU A 134 -7.235 2.492 30.392 1.00 2.15 H new ATOM 1930 N GLU A 135 -6.222 1.772 25.559 1.00 63.14 N ATOM 1931 CA GLU A 135 -5.268 1.360 24.536 1.00 44.12 C ATOM 1932 C GLU A 135 -4.489 2.560 24.004 1.00 61.24 C ATOM 1933 O GLU A 135 -3.282 2.477 23.772 1.00 34.30 O ATOM 1934 CB GLU A 135 -5.991 0.657 23.385 1.00 20.35 C ATOM 1935 CG GLU A 135 -5.062 -0.117 22.465 1.00 52.12 C ATOM 1936 CD GLU A 135 -5.302 -1.613 22.518 1.00 25.31 C ATOM 1937 OE1 GLU A 135 -5.109 -2.207 23.599 1.00 31.44 O ATOM 1938 OE2 GLU A 135 -5.682 -2.190 21.478 1.00 63.14 O ATOM 0 H GLU A 135 -7.200 1.691 25.281 1.00 63.14 H new ATOM 0 HA GLU A 135 -4.564 0.664 24.992 1.00 44.12 H new ATOM 0 HB2 GLU A 135 -6.733 -0.027 23.797 1.00 20.35 H new ATOM 0 HB3 GLU A 135 -6.532 1.400 22.799 1.00 20.35 H new ATOM 0 HG2 GLU A 135 -5.196 0.233 21.441 1.00 52.12 H new ATOM 0 HG3 GLU A 135 -4.028 0.091 22.740 1.00 52.12 H new ATOM 1945 N ILE A 136 -5.188 3.673 23.812 1.00 40.33 N ATOM 1946 CA ILE A 136 -4.563 4.890 23.308 1.00 62.25 C ATOM 1947 C ILE A 136 -3.588 5.470 24.327 1.00 53.13 C ATOM 1948 O ILE A 136 -2.459 5.825 23.989 1.00 52.21 O ATOM 1949 CB ILE A 136 -5.614 5.958 22.953 1.00 33.14 C ATOM 1950 CG1 ILE A 136 -6.576 5.425 21.889 1.00 0.12 C ATOM 1951 CG2 ILE A 136 -4.935 7.231 22.471 1.00 24.23 C ATOM 1952 CD1 ILE A 136 -7.842 6.243 21.755 1.00 64.32 C ATOM 0 H ILE A 136 -6.187 3.758 23.998 1.00 40.33 H new ATOM 0 HA ILE A 136 -4.019 4.614 22.405 1.00 62.25 H new ATOM 0 HB ILE A 136 -6.188 6.193 23.849 1.00 33.14 H new ATOM 0 HG12 ILE A 136 -6.064 5.402 20.927 1.00 0.12 H new ATOM 0 HG13 ILE A 136 -6.842 4.397 22.133 1.00 0.12 H new ATOM 0 HG21 ILE A 136 -5.692 7.976 22.224 1.00 24.23 H new ATOM 0 HG22 ILE A 136 -4.288 7.618 23.258 1.00 24.23 H new ATOM 0 HG23 ILE A 136 -4.339 7.012 21.585 1.00 24.23 H new ATOM 0 HD11 ILE A 136 -8.477 5.807 20.983 1.00 64.32 H new ATOM 0 HD12 ILE A 136 -8.376 6.245 22.705 1.00 64.32 H new ATOM 0 HD13 ILE A 136 -7.587 7.266 21.480 1.00 64.32 H new ATOM 1964 N SER A 137 -4.032 5.562 25.576 1.00 33.22 N ATOM 1965 CA SER A 137 -3.200 6.101 26.645 1.00 31.15 C ATOM 1966 C SER A 137 -1.979 5.217 26.882 1.00 73.21 C ATOM 1967 O SER A 137 -0.884 5.711 27.149 1.00 42.02 O ATOM 1968 CB SER A 137 -4.011 6.227 27.937 1.00 65.20 C ATOM 1969 OG SER A 137 -3.708 7.435 28.613 1.00 31.11 O ATOM 0 H SER A 137 -4.963 5.270 25.873 1.00 33.22 H new ATOM 0 HA SER A 137 -2.857 7.090 26.341 1.00 31.15 H new ATOM 0 HB2 SER A 137 -5.076 6.193 27.707 1.00 65.20 H new ATOM 0 HB3 SER A 137 -3.798 5.379 28.588 1.00 65.20 H new ATOM 0 HG SER A 137 -4.240 7.493 29.434 1.00 31.11 H new ATOM 1975 N ARG A 138 -2.177 3.906 26.782 1.00 53.51 N ATOM 1976 CA ARG A 138 -1.094 2.952 26.986 1.00 41.41 C ATOM 1977 C ARG A 138 -0.080 3.030 25.848 1.00 32.50 C ATOM 1978 O ARG A 138 1.126 2.913 26.067 1.00 12.01 O ATOM 1979 CB ARG A 138 -1.650 1.531 27.092 1.00 54.41 C ATOM 1980 CG ARG A 138 -0.592 0.484 27.399 1.00 54.31 C ATOM 1981 CD ARG A 138 -0.376 -0.452 26.220 1.00 52.40 C ATOM 1982 NE ARG A 138 -1.358 -1.532 26.192 1.00 74.05 N ATOM 1983 CZ ARG A 138 -1.413 -2.451 25.234 1.00 42.34 C ATOM 1984 NH1 ARG A 138 -0.545 -2.420 24.231 1.00 34.33 N ATOM 1985 NH2 ARG A 138 -2.336 -3.403 25.277 1.00 1.15 N ATOM 0 H ARG A 138 -3.077 3.481 26.561 1.00 53.51 H new ATOM 0 HA ARG A 138 -0.589 3.207 27.918 1.00 41.41 H new ATOM 0 HB2 ARG A 138 -2.411 1.505 27.872 1.00 54.41 H new ATOM 0 HB3 ARG A 138 -2.144 1.272 26.155 1.00 54.41 H new ATOM 0 HG2 ARG A 138 0.347 0.977 27.650 1.00 54.31 H new ATOM 0 HG3 ARG A 138 -0.893 -0.093 28.273 1.00 54.31 H new ATOM 0 HD2 ARG A 138 -0.435 0.115 25.291 1.00 52.40 H new ATOM 0 HD3 ARG A 138 0.627 -0.875 26.272 1.00 52.40 H new ATOM 0 HE ARG A 138 -2.039 -1.584 26.949 1.00 74.05 H new ATOM 0 HH11 ARG A 138 0.166 -1.690 24.194 1.00 34.33 H new ATOM 0 HH12 ARG A 138 -0.589 -3.126 23.497 1.00 34.33 H new ATOM 0 HH21 ARG A 138 -3.005 -3.430 26.046 1.00 1.15 H new ATOM 0 HH22 ARG A 138 -2.377 -4.108 24.541 1.00 1.15 H new ATOM 1999 N LYS A 139 -0.578 3.226 24.632 1.00 44.13 N ATOM 2000 CA LYS A 139 0.283 3.320 23.458 1.00 21.35 C ATOM 2001 C LYS A 139 1.157 4.568 23.523 1.00 2.12 C ATOM 2002 O LYS A 139 2.369 4.501 23.315 1.00 12.24 O ATOM 2003 CB LYS A 139 -0.561 3.341 22.182 1.00 64.41 C ATOM 2004 CG LYS A 139 -0.306 2.157 21.265 1.00 63.11 C ATOM 2005 CD LYS A 139 -1.599 1.452 20.892 1.00 21.40 C ATOM 2006 CE LYS A 139 -1.332 0.170 20.118 1.00 24.21 C ATOM 2007 NZ LYS A 139 -1.353 -1.027 21.004 1.00 61.45 N ATOM 0 H LYS A 139 -1.574 3.323 24.433 1.00 44.13 H new ATOM 0 HA LYS A 139 0.932 2.444 23.443 1.00 21.35 H new ATOM 0 HB2 LYS A 139 -1.616 3.358 22.455 1.00 64.41 H new ATOM 0 HB3 LYS A 139 -0.358 4.263 21.637 1.00 64.41 H new ATOM 0 HG2 LYS A 139 0.198 2.498 20.360 1.00 63.11 H new ATOM 0 HG3 LYS A 139 0.365 1.453 21.757 1.00 63.11 H new ATOM 0 HD2 LYS A 139 -2.163 1.222 21.796 1.00 21.40 H new ATOM 0 HD3 LYS A 139 -2.218 2.119 20.291 1.00 21.40 H new ATOM 0 HE2 LYS A 139 -2.082 0.056 19.335 1.00 24.21 H new ATOM 0 HE3 LYS A 139 -0.363 0.239 19.624 1.00 24.21 H new ATOM 0 HZ1 LYS A 139 -1.167 -1.880 20.439 1.00 61.45 H new ATOM 0 HZ2 LYS A 139 -0.621 -0.930 21.736 1.00 61.45 H new ATOM 0 HZ3 LYS A 139 -2.286 -1.108 21.456 1.00 61.45 H new ATOM 2021 N VAL A 140 0.535 5.706 23.814 1.00 41.31 N ATOM 2022 CA VAL A 140 1.257 6.970 23.909 1.00 70.53 C ATOM 2023 C VAL A 140 2.192 6.979 25.113 1.00 52.20 C ATOM 2024 O VAL A 140 3.300 7.512 25.049 1.00 52.31 O ATOM 2025 CB VAL A 140 0.289 8.163 24.015 1.00 72.34 C ATOM 2026 CG1 VAL A 140 -0.604 8.019 25.238 1.00 43.40 C ATOM 2027 CG2 VAL A 140 1.061 9.473 24.058 1.00 30.43 C ATOM 0 H VAL A 140 -0.467 5.779 23.988 1.00 41.31 H new ATOM 0 HA VAL A 140 1.844 7.069 22.996 1.00 70.53 H new ATOM 0 HB VAL A 140 -0.347 8.172 23.130 1.00 72.34 H new ATOM 0 HG11 VAL A 140 -1.281 8.871 25.296 1.00 43.40 H new ATOM 0 HG12 VAL A 140 -1.184 7.099 25.159 1.00 43.40 H new ATOM 0 HG13 VAL A 140 0.012 7.983 26.136 1.00 43.40 H new ATOM 0 HG21 VAL A 140 0.361 10.305 24.133 1.00 30.43 H new ATOM 0 HG22 VAL A 140 1.723 9.477 24.924 1.00 30.43 H new ATOM 0 HG23 VAL A 140 1.652 9.577 23.148 1.00 30.43 H new ATOM 2037 N LYS A 141 1.738 6.385 26.212 1.00 44.53 N ATOM 2038 CA LYS A 141 2.534 6.323 27.432 1.00 12.11 C ATOM 2039 C LYS A 141 3.784 5.474 27.224 1.00 33.21 C ATOM 2040 O LYS A 141 4.842 5.764 27.781 1.00 65.12 O ATOM 2041 CB LYS A 141 1.700 5.750 28.580 1.00 30.21 C ATOM 2042 CG LYS A 141 2.432 5.726 29.911 1.00 50.22 C ATOM 2043 CD LYS A 141 1.669 6.490 30.980 1.00 24.04 C ATOM 2044 CE LYS A 141 1.996 7.975 30.944 1.00 13.12 C ATOM 2045 NZ LYS A 141 2.100 8.554 32.312 1.00 34.45 N ATOM 0 H LYS A 141 0.823 5.940 26.282 1.00 44.53 H new ATOM 0 HA LYS A 141 2.844 7.337 27.686 1.00 12.11 H new ATOM 0 HB2 LYS A 141 0.790 6.340 28.686 1.00 30.21 H new ATOM 0 HB3 LYS A 141 1.394 4.735 28.325 1.00 30.21 H new ATOM 0 HG2 LYS A 141 2.573 4.694 30.231 1.00 50.22 H new ATOM 0 HG3 LYS A 141 3.424 6.161 29.790 1.00 50.22 H new ATOM 0 HD2 LYS A 141 0.598 6.349 30.835 1.00 24.04 H new ATOM 0 HD3 LYS A 141 1.914 6.086 31.962 1.00 24.04 H new ATOM 0 HE2 LYS A 141 2.936 8.127 30.413 1.00 13.12 H new ATOM 0 HE3 LYS A 141 1.224 8.503 30.384 1.00 13.12 H new ATOM 0 HZ1 LYS A 141 2.324 9.567 32.244 1.00 34.45 H new ATOM 0 HZ2 LYS A 141 1.195 8.432 32.810 1.00 34.45 H new ATOM 0 HZ3 LYS A 141 2.854 8.068 32.838 1.00 34.45 H new ATOM 2059 N SER A 142 3.653 4.425 26.418 1.00 25.22 N ATOM 2060 CA SER A 142 4.772 3.532 26.139 1.00 42.13 C ATOM 2061 C SER A 142 5.694 4.131 25.081 1.00 2.42 C ATOM 2062 O SER A 142 6.907 3.928 25.112 1.00 20.23 O ATOM 2063 CB SER A 142 4.260 2.169 25.671 1.00 35.41 C ATOM 2064 OG SER A 142 3.455 1.558 26.665 1.00 24.22 O ATOM 0 H SER A 142 2.784 4.173 25.947 1.00 25.22 H new ATOM 0 HA SER A 142 5.340 3.402 27.061 1.00 42.13 H new ATOM 0 HB2 SER A 142 3.683 2.289 24.754 1.00 35.41 H new ATOM 0 HB3 SER A 142 5.104 1.522 25.434 1.00 35.41 H new ATOM 0 HG SER A 142 2.550 1.933 26.629 1.00 24.22 H new ATOM 2070 N ASN A 143 5.109 4.872 24.146 1.00 74.14 N ATOM 2071 CA ASN A 143 5.876 5.501 23.077 1.00 5.12 C ATOM 2072 C ASN A 143 6.759 4.479 22.367 1.00 3.22 C ATOM 2073 O ASN A 143 7.833 4.813 21.866 1.00 1.12 O ATOM 2074 CB ASN A 143 6.738 6.633 23.639 1.00 5.41 C ATOM 2075 CG ASN A 143 6.851 7.804 22.682 1.00 62.04 C ATOM 2076 OD1 ASN A 143 7.285 7.647 21.540 1.00 3.23 O ATOM 2077 ND2 ASN A 143 6.460 8.986 23.144 1.00 73.14 N ATOM 0 H ASN A 143 4.106 5.052 24.107 1.00 74.14 H new ATOM 0 HA ASN A 143 5.173 5.913 22.353 1.00 5.12 H new ATOM 0 HB2 ASN A 143 6.311 6.977 24.581 1.00 5.41 H new ATOM 0 HB3 ASN A 143 7.735 6.251 23.861 1.00 5.41 H new ATOM 0 HD21 ASN A 143 6.513 9.810 22.546 1.00 73.14 H new ATOM 0 HD22 ASN A 143 6.107 9.070 24.097 1.00 73.14 H new ATOM 2084 N ARG A 144 6.299 3.233 22.328 1.00 14.20 N ATOM 2085 CA ARG A 144 7.046 2.162 21.680 1.00 2.32 C ATOM 2086 C ARG A 144 6.913 2.247 20.162 1.00 14.05 C ATOM 2087 O ARG A 144 5.815 2.128 19.619 1.00 74.23 O ATOM 2088 CB ARG A 144 6.555 0.799 22.171 1.00 53.22 C ATOM 2089 CG ARG A 144 7.663 -0.230 22.322 1.00 3.42 C ATOM 2090 CD ARG A 144 7.133 -1.647 22.169 1.00 10.41 C ATOM 2091 NE ARG A 144 7.459 -2.481 23.323 1.00 43.34 N ATOM 2092 CZ ARG A 144 8.684 -2.922 23.588 1.00 50.52 C ATOM 2093 NH1 ARG A 144 9.693 -2.609 22.786 1.00 13.12 N ATOM 2094 NH2 ARG A 144 8.902 -3.676 24.657 1.00 34.42 N ATOM 0 H ARG A 144 5.412 2.940 22.738 1.00 14.20 H new ATOM 0 HA ARG A 144 8.098 2.277 21.942 1.00 2.32 H new ATOM 0 HB2 ARG A 144 6.056 0.927 23.132 1.00 53.22 H new ATOM 0 HB3 ARG A 144 5.810 0.418 21.473 1.00 53.22 H new ATOM 0 HG2 ARG A 144 8.435 -0.047 21.575 1.00 3.42 H new ATOM 0 HG3 ARG A 144 8.133 -0.120 23.299 1.00 3.42 H new ATOM 0 HD2 ARG A 144 6.051 -1.617 22.037 1.00 10.41 H new ATOM 0 HD3 ARG A 144 7.552 -2.095 21.268 1.00 10.41 H new ATOM 0 HE ARG A 144 6.705 -2.739 23.960 1.00 43.34 H new ATOM 0 HH11 ARG A 144 9.530 -2.028 21.963 1.00 13.12 H new ATOM 0 HH12 ARG A 144 10.632 -2.949 22.992 1.00 13.12 H new ATOM 0 HH21 ARG A 144 8.129 -3.918 25.277 1.00 34.42 H new ATOM 0 HH22 ARG A 144 9.843 -4.014 24.859 1.00 34.42 H new