USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 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 42 ASN : amide:sc= -2.17 X(o=-5.7,f=-5.7) USER MOD Set 1.2: A 43 ASN : amide:sc= -3.51 X(o=-5.7,f=-5.7!) USER MOD Set 2.1: A 26 SER OG : rot 122:sc= -1.54 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -160:sc= 0.207 (180deg=0.0203) USER MOD Set 3.1: A 22 TYR OH : rot 177:sc= 1.63 USER MOD Set 3.2: A 41 SER OG : rot -66:sc= 1.18 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -43:sc= 1.15 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -11:sc= 0.966 USER MOD Single : A 40 ASN : amide:sc= 0.213 K(o=0.21,f=-2.6!) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.358 USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.277) USER MOD Single : A 56 GLN : amide:sc= 0.515 K(o=0.52,f=-0.39) USER MOD Single : A 58 SER OG : rot 170:sc= -0.199 USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 2 -1.302 -1.488 -4.225 1.00 32.34 N ATOM 24 CA LYS A 2 -1.782 -1.311 -5.590 1.00 32.21 C ATOM 25 C LYS A 2 -0.730 -0.621 -6.452 1.00 24.15 C ATOM 26 O LYS A 2 -0.882 -0.513 -7.668 1.00 41.35 O ATOM 27 CB LYS A 2 -3.077 -0.495 -5.596 1.00 5.34 C ATOM 28 CG LYS A 2 -3.789 -0.493 -6.937 1.00 60.30 C ATOM 29 CD LYS A 2 -3.972 0.918 -7.470 1.00 31.13 C ATOM 30 CE LYS A 2 -5.166 1.606 -6.826 1.00 3.34 C ATOM 31 NZ LYS A 2 -5.430 2.941 -7.431 1.00 64.13 N ATOM 0 HA LYS A 2 -1.980 -2.298 -6.009 1.00 32.21 H new ATOM 0 HB2 LYS A 2 -3.751 -0.893 -4.837 1.00 5.34 H new ATOM 0 HB3 LYS A 2 -2.850 0.533 -5.313 1.00 5.34 H new ATOM 0 HG2 LYS A 2 -3.218 -1.082 -7.654 1.00 60.30 H new ATOM 0 HG3 LYS A 2 -4.762 -0.973 -6.834 1.00 60.30 H new ATOM 0 HD2 LYS A 2 -3.070 1.500 -7.281 1.00 31.13 H new ATOM 0 HD3 LYS A 2 -4.109 0.885 -8.551 1.00 31.13 H new ATOM 0 HE2 LYS A 2 -6.050 0.977 -6.935 1.00 3.34 H new ATOM 0 HE3 LYS A 2 -4.986 1.721 -5.757 1.00 3.34 H new ATOM 0 HZ1 LYS A 2 -6.251 3.377 -6.965 1.00 64.13 H new ATOM 0 HZ2 LYS A 2 -4.596 3.550 -7.305 1.00 64.13 H new ATOM 0 HZ3 LYS A 2 -5.627 2.829 -8.446 1.00 64.13 H new ATOM 45 N LYS A 3 0.339 -0.157 -5.813 1.00 43.12 N ATOM 46 CA LYS A 3 1.419 0.520 -6.521 1.00 4.42 C ATOM 47 C LYS A 3 2.024 -0.387 -7.588 1.00 13.32 C ATOM 48 O LYS A 3 2.542 0.087 -8.599 1.00 44.30 O ATOM 49 CB LYS A 3 2.505 0.960 -5.536 1.00 11.32 C ATOM 50 CG LYS A 3 2.162 2.233 -4.781 1.00 51.13 C ATOM 51 CD LYS A 3 3.206 3.314 -5.007 1.00 21.31 C ATOM 52 CE LYS A 3 2.841 4.601 -4.283 1.00 64.13 C ATOM 53 NZ LYS A 3 3.857 5.668 -4.503 1.00 71.34 N ATOM 0 H LYS A 3 0.480 -0.238 -4.806 1.00 43.12 H new ATOM 0 HA LYS A 3 1.002 1.400 -7.011 1.00 4.42 H new ATOM 0 HB2 LYS A 3 2.680 0.158 -4.819 1.00 11.32 H new ATOM 0 HB3 LYS A 3 3.438 1.110 -6.080 1.00 11.32 H new ATOM 0 HG2 LYS A 3 1.186 2.596 -5.102 1.00 51.13 H new ATOM 0 HG3 LYS A 3 2.086 2.016 -3.715 1.00 51.13 H new ATOM 0 HD2 LYS A 3 4.177 2.962 -4.659 1.00 21.31 H new ATOM 0 HD3 LYS A 3 3.303 3.511 -6.075 1.00 21.31 H new ATOM 0 HE2 LYS A 3 1.868 4.949 -4.629 1.00 64.13 H new ATOM 0 HE3 LYS A 3 2.747 4.403 -3.215 1.00 64.13 H new ATOM 0 HZ1 LYS A 3 3.572 6.529 -3.994 1.00 71.34 H new ATOM 0 HZ2 LYS A 3 4.781 5.346 -4.150 1.00 71.34 H new ATOM 0 HZ3 LYS A 3 3.928 5.875 -5.520 1.00 71.34 H new ATOM 67 N CYS A 4 1.952 -1.693 -7.357 1.00 21.32 N ATOM 68 CA CYS A 4 2.491 -2.667 -8.298 1.00 71.52 C ATOM 69 C CYS A 4 1.565 -2.833 -9.500 1.00 14.05 C ATOM 70 O CYS A 4 1.883 -3.552 -10.446 1.00 70.01 O ATOM 71 CB CYS A 4 2.694 -4.017 -7.607 1.00 61.32 C ATOM 72 SG CYS A 4 3.619 -5.231 -8.603 1.00 55.31 S ATOM 0 H CYS A 4 1.525 -2.102 -6.526 1.00 21.32 H new ATOM 0 HA CYS A 4 3.454 -2.299 -8.651 1.00 71.52 H new ATOM 0 HB2 CYS A 4 3.222 -3.856 -6.667 1.00 61.32 H new ATOM 0 HB3 CYS A 4 1.719 -4.435 -7.357 1.00 61.32 H new ATOM 77 N GLN A 5 0.418 -2.162 -9.453 1.00 22.15 N ATOM 78 CA GLN A 5 -0.554 -2.235 -10.537 1.00 32.44 C ATOM 79 C GLN A 5 -1.098 -0.851 -10.874 1.00 72.24 C ATOM 80 O GLN A 5 -2.133 -0.435 -10.352 1.00 53.12 O ATOM 81 CB GLN A 5 -1.704 -3.170 -10.156 1.00 52.52 C ATOM 82 CG GLN A 5 -1.778 -3.468 -8.668 1.00 34.24 C ATOM 83 CD GLN A 5 -2.982 -4.315 -8.301 1.00 44.34 C ATOM 84 OE1 GLN A 5 -3.799 -4.655 -9.157 1.00 13.21 O ATOM 85 NE2 GLN A 5 -3.096 -4.660 -7.024 1.00 71.14 N ATOM 0 H GLN A 5 0.140 -1.562 -8.676 1.00 22.15 H new ATOM 0 HA GLN A 5 -0.050 -2.631 -11.418 1.00 32.44 H new ATOM 0 HB2 GLN A 5 -2.645 -2.723 -10.476 1.00 52.52 H new ATOM 0 HB3 GLN A 5 -1.595 -4.108 -10.701 1.00 52.52 H new ATOM 0 HG2 GLN A 5 -0.868 -3.983 -8.359 1.00 34.24 H new ATOM 0 HG3 GLN A 5 -1.817 -2.530 -8.115 1.00 34.24 H new ATOM 0 HE21 GLN A 5 -2.395 -4.355 -6.349 1.00 71.14 H new ATOM 0 HE22 GLN A 5 -3.885 -5.230 -6.718 1.00 71.14 H new ATOM 94 N LEU A 6 -0.395 -0.142 -11.750 1.00 24.10 N ATOM 95 CA LEU A 6 -0.807 1.197 -12.158 1.00 23.42 C ATOM 96 C LEU A 6 -1.033 1.261 -13.665 1.00 12.22 C ATOM 97 O LEU A 6 -0.312 0.649 -14.453 1.00 31.45 O ATOM 98 CB LEU A 6 0.248 2.224 -11.745 1.00 1.45 C ATOM 99 CG LEU A 6 0.087 2.827 -10.348 1.00 65.13 C ATOM 100 CD1 LEU A 6 -0.857 4.019 -10.387 1.00 24.55 C ATOM 101 CD2 LEU A 6 -0.416 1.777 -9.369 1.00 22.50 C ATOM 0 H LEU A 6 0.463 -0.472 -12.192 1.00 24.10 H new ATOM 0 HA LEU A 6 -1.747 1.430 -11.658 1.00 23.42 H new ATOM 0 HB2 LEU A 6 1.229 1.752 -11.804 1.00 1.45 H new ATOM 0 HB3 LEU A 6 0.240 3.036 -12.472 1.00 1.45 H new ATOM 0 HG LEU A 6 1.063 3.174 -10.008 1.00 65.13 H new ATOM 0 HD11 LEU A 6 -0.959 4.435 -9.385 1.00 24.55 H new ATOM 0 HD12 LEU A 6 -0.455 4.780 -11.056 1.00 24.55 H new ATOM 0 HD13 LEU A 6 -1.834 3.698 -10.748 1.00 24.55 H new ATOM 0 HD21 LEU A 6 -0.525 2.223 -8.381 1.00 22.50 H new ATOM 0 HD22 LEU A 6 -1.382 1.399 -9.705 1.00 22.50 H new ATOM 0 HD23 LEU A 6 0.298 0.955 -9.319 1.00 22.50 H new ATOM 113 N PRO A 7 -2.058 2.023 -14.077 1.00 65.54 N ATOM 114 CA PRO A 7 -2.401 2.188 -15.493 1.00 31.21 C ATOM 115 C PRO A 7 -1.360 3.006 -16.250 1.00 74.53 C ATOM 116 O PRO A 7 -0.552 3.711 -15.647 1.00 31.12 O ATOM 117 CB PRO A 7 -3.738 2.932 -15.449 1.00 3.51 C ATOM 118 CG PRO A 7 -3.726 3.656 -14.147 1.00 4.03 C ATOM 119 CD PRO A 7 -2.959 2.781 -13.194 1.00 1.01 C ATOM 0 HA PRO A 7 -2.446 1.233 -16.016 1.00 31.21 H new ATOM 0 HB2 PRO A 7 -3.834 3.624 -16.286 1.00 3.51 H new ATOM 0 HB3 PRO A 7 -4.578 2.240 -15.510 1.00 3.51 H new ATOM 0 HG2 PRO A 7 -3.252 4.632 -14.248 1.00 4.03 H new ATOM 0 HG3 PRO A 7 -4.740 3.829 -13.787 1.00 4.03 H new ATOM 0 HD2 PRO A 7 -2.404 3.371 -12.465 1.00 1.01 H new ATOM 0 HD3 PRO A 7 -3.621 2.121 -12.633 1.00 1.01 H new ATOM 127 N SER A 8 -1.387 2.906 -17.576 1.00 5.35 N ATOM 128 CA SER A 8 -0.443 3.635 -18.415 1.00 62.43 C ATOM 129 C SER A 8 -0.817 5.111 -18.499 1.00 12.21 C ATOM 130 O SER A 8 -1.969 5.457 -18.763 1.00 20.13 O ATOM 131 CB SER A 8 -0.402 3.027 -19.819 1.00 31.12 C ATOM 132 OG SER A 8 -1.343 1.975 -19.946 1.00 64.43 O ATOM 0 H SER A 8 -2.051 2.328 -18.091 1.00 5.35 H new ATOM 0 HA SER A 8 0.545 3.554 -17.962 1.00 62.43 H new ATOM 0 HB2 SER A 8 -0.612 3.799 -20.559 1.00 31.12 H new ATOM 0 HB3 SER A 8 0.600 2.650 -20.027 1.00 31.12 H new ATOM 0 HG SER A 8 -1.299 1.604 -20.852 1.00 64.43 H new ATOM 138 N ASP A 9 0.164 5.977 -18.272 1.00 41.41 N ATOM 139 CA ASP A 9 -0.060 7.417 -18.322 1.00 55.54 C ATOM 140 C ASP A 9 1.043 8.112 -19.114 1.00 2.21 C ATOM 141 O ASP A 9 2.154 8.300 -18.617 1.00 71.22 O ATOM 142 CB ASP A 9 -0.131 7.994 -16.907 1.00 64.14 C ATOM 143 CG ASP A 9 -1.557 8.213 -16.441 1.00 64.54 C ATOM 144 OD1 ASP A 9 -2.308 8.919 -17.145 1.00 35.22 O ATOM 145 OD2 ASP A 9 -1.920 7.678 -15.373 1.00 34.03 O ATOM 0 H ASP A 9 1.123 5.707 -18.051 1.00 41.41 H new ATOM 0 HA ASP A 9 -1.010 7.594 -18.826 1.00 55.54 H new ATOM 0 HB2 ASP A 9 0.374 7.318 -16.217 1.00 64.14 H new ATOM 0 HB3 ASP A 9 0.407 8.941 -16.877 1.00 64.14 H new ATOM 150 N VAL A 10 0.730 8.491 -20.349 1.00 11.31 N ATOM 151 CA VAL A 10 1.695 9.165 -21.210 1.00 13.34 C ATOM 152 C VAL A 10 1.585 10.680 -21.078 1.00 13.14 C ATOM 153 O VAL A 10 2.580 11.397 -21.180 1.00 75.53 O ATOM 154 CB VAL A 10 1.499 8.774 -22.686 1.00 54.14 C ATOM 155 CG1 VAL A 10 0.211 9.372 -23.231 1.00 14.50 C ATOM 156 CG2 VAL A 10 2.694 9.215 -23.517 1.00 41.22 C ATOM 0 H VAL A 10 -0.184 8.343 -20.776 1.00 11.31 H new ATOM 0 HA VAL A 10 2.686 8.846 -20.886 1.00 13.34 H new ATOM 0 HB VAL A 10 1.422 7.689 -22.749 1.00 54.14 H new ATOM 0 HG11 VAL A 10 0.090 9.085 -24.275 1.00 14.50 H new ATOM 0 HG12 VAL A 10 -0.635 9.002 -22.652 1.00 14.50 H new ATOM 0 HG13 VAL A 10 0.254 10.459 -23.156 1.00 14.50 H new ATOM 0 HG21 VAL A 10 2.538 8.930 -24.558 1.00 41.22 H new ATOM 0 HG22 VAL A 10 2.805 10.297 -23.449 1.00 41.22 H new ATOM 0 HG23 VAL A 10 3.597 8.734 -23.140 1.00 41.22 H new ATOM 166 N GLY A 11 0.367 11.162 -20.848 1.00 52.04 N ATOM 167 CA GLY A 11 0.149 12.590 -20.705 1.00 72.44 C ATOM 168 C GLY A 11 0.763 13.386 -21.840 1.00 15.34 C ATOM 169 O GLY A 11 1.082 12.836 -22.894 1.00 32.03 O ATOM 0 H GLY A 11 -0.472 10.589 -20.758 1.00 52.04 H new ATOM 0 HA2 GLY A 11 -0.922 12.789 -20.664 1.00 72.44 H new ATOM 0 HA3 GLY A 11 0.572 12.926 -19.759 1.00 72.44 H new ATOM 173 N LYS A 12 0.927 14.687 -21.625 1.00 41.22 N ATOM 174 CA LYS A 12 1.506 15.563 -22.637 1.00 62.43 C ATOM 175 C LYS A 12 3.030 15.506 -22.598 1.00 70.04 C ATOM 176 O LYS A 12 3.612 14.594 -22.012 1.00 41.34 O ATOM 177 CB LYS A 12 1.033 17.003 -22.427 1.00 22.35 C ATOM 178 CG LYS A 12 -0.448 17.116 -22.109 1.00 41.35 C ATOM 179 CD LYS A 12 -1.305 16.637 -23.269 1.00 43.22 C ATOM 180 CE LYS A 12 -2.773 16.970 -23.052 1.00 41.02 C ATOM 181 NZ LYS A 12 -3.575 16.775 -24.292 1.00 1.23 N ATOM 0 H LYS A 12 0.667 15.158 -20.759 1.00 41.22 H new ATOM 0 HA LYS A 12 1.172 15.217 -23.615 1.00 62.43 H new ATOM 0 HB2 LYS A 12 1.606 17.450 -21.614 1.00 22.35 H new ATOM 0 HB3 LYS A 12 1.249 17.582 -23.325 1.00 22.35 H new ATOM 0 HG2 LYS A 12 -0.676 16.528 -21.220 1.00 41.35 H new ATOM 0 HG3 LYS A 12 -0.693 18.152 -21.878 1.00 41.35 H new ATOM 0 HD2 LYS A 12 -0.959 17.099 -24.194 1.00 43.22 H new ATOM 0 HD3 LYS A 12 -1.189 15.560 -23.388 1.00 43.22 H new ATOM 0 HE2 LYS A 12 -3.174 16.341 -22.257 1.00 41.02 H new ATOM 0 HE3 LYS A 12 -2.866 18.004 -22.718 1.00 41.02 H new ATOM 0 HZ1 LYS A 12 -4.570 17.012 -24.103 1.00 1.23 H new ATOM 0 HZ2 LYS A 12 -3.208 17.393 -25.043 1.00 1.23 H new ATOM 0 HZ3 LYS A 12 -3.508 15.783 -24.597 1.00 1.23 H new ATOM 195 N GLY A 13 3.671 16.488 -23.226 1.00 34.04 N ATOM 196 CA GLY A 13 5.121 16.531 -23.249 1.00 40.20 C ATOM 197 C GLY A 13 5.707 15.718 -24.386 1.00 50.23 C ATOM 198 O GLY A 13 4.976 15.088 -25.150 1.00 72.42 O ATOM 0 H GLY A 13 3.212 17.254 -23.719 1.00 34.04 H new ATOM 0 HA2 GLY A 13 5.449 17.566 -23.340 1.00 40.20 H new ATOM 0 HA3 GLY A 13 5.508 16.156 -22.301 1.00 40.20 H new ATOM 202 N LYS A 14 7.031 15.733 -24.501 1.00 74.03 N ATOM 203 CA LYS A 14 7.716 14.992 -25.554 1.00 10.23 C ATOM 204 C LYS A 14 7.205 13.557 -25.630 1.00 23.13 C ATOM 205 O LYS A 14 6.992 13.021 -26.717 1.00 22.23 O ATOM 206 CB LYS A 14 9.226 14.995 -25.307 1.00 43.01 C ATOM 207 CG LYS A 14 9.951 16.147 -25.982 1.00 34.02 C ATOM 208 CD LYS A 14 9.989 17.379 -25.093 1.00 75.12 C ATOM 209 CE LYS A 14 10.901 18.452 -25.667 1.00 23.04 C ATOM 210 NZ LYS A 14 10.301 19.112 -26.859 1.00 71.20 N ATOM 0 H LYS A 14 7.651 16.250 -23.878 1.00 74.03 H new ATOM 0 HA LYS A 14 7.508 15.483 -26.505 1.00 10.23 H new ATOM 0 HB2 LYS A 14 9.410 15.040 -24.234 1.00 43.01 H new ATOM 0 HB3 LYS A 14 9.646 14.054 -25.663 1.00 43.01 H new ATOM 0 HG2 LYS A 14 10.968 15.843 -26.228 1.00 34.02 H new ATOM 0 HG3 LYS A 14 9.455 16.390 -26.921 1.00 34.02 H new ATOM 0 HD2 LYS A 14 8.981 17.779 -24.980 1.00 75.12 H new ATOM 0 HD3 LYS A 14 10.335 17.100 -24.098 1.00 75.12 H new ATOM 0 HE2 LYS A 14 11.106 19.201 -24.902 1.00 23.04 H new ATOM 0 HE3 LYS A 14 11.857 18.007 -25.942 1.00 23.04 H new ATOM 0 HZ1 LYS A 14 10.954 19.837 -27.220 1.00 71.20 H new ATOM 0 HZ2 LYS A 14 10.129 18.402 -27.599 1.00 71.20 H new ATOM 0 HZ3 LYS A 14 9.401 19.559 -26.592 1.00 71.20 H new ATOM 224 N ALA A 15 7.010 12.941 -24.468 1.00 71.24 N ATOM 225 CA ALA A 15 6.521 11.569 -24.404 1.00 52.21 C ATOM 226 C ALA A 15 7.213 10.690 -25.440 1.00 50.44 C ATOM 227 O ALA A 15 6.583 10.212 -26.383 1.00 55.23 O ATOM 228 CB ALA A 15 5.013 11.537 -24.604 1.00 71.32 C ATOM 0 H ALA A 15 7.183 13.370 -23.559 1.00 71.24 H new ATOM 0 HA ALA A 15 6.754 11.172 -23.416 1.00 52.21 H new ATOM 0 HB1 ALA A 15 4.661 10.507 -24.554 1.00 71.32 H new ATOM 0 HB2 ALA A 15 4.530 12.124 -23.823 1.00 71.32 H new ATOM 0 HB3 ALA A 15 4.766 11.958 -25.579 1.00 71.32 H new ATOM 234 N SER A 16 8.513 10.482 -25.260 1.00 3.35 N ATOM 235 CA SER A 16 9.292 9.664 -26.182 1.00 1.41 C ATOM 236 C SER A 16 10.386 8.902 -25.441 1.00 22.02 C ATOM 237 O SER A 16 11.321 8.384 -26.052 1.00 71.32 O ATOM 238 CB SER A 16 9.913 10.539 -27.273 1.00 4.15 C ATOM 239 OG SER A 16 10.724 9.770 -28.143 1.00 64.52 O ATOM 0 H SER A 16 9.049 10.869 -24.484 1.00 3.35 H new ATOM 0 HA SER A 16 8.620 8.941 -26.644 1.00 1.41 H new ATOM 0 HB2 SER A 16 9.124 11.028 -27.844 1.00 4.15 H new ATOM 0 HB3 SER A 16 10.511 11.327 -26.815 1.00 4.15 H new ATOM 0 HG SER A 16 11.263 9.142 -27.618 1.00 64.52 H new ATOM 245 N PHE A 17 10.263 8.838 -24.119 1.00 73.02 N ATOM 246 CA PHE A 17 11.241 8.140 -23.293 1.00 12.21 C ATOM 247 C PHE A 17 10.676 6.818 -22.781 1.00 42.21 C ATOM 248 O PHE A 17 9.463 6.608 -22.775 1.00 53.13 O ATOM 249 CB PHE A 17 11.662 9.018 -22.113 1.00 44.40 C ATOM 250 CG PHE A 17 13.125 8.921 -21.786 1.00 21.12 C ATOM 251 CD1 PHE A 17 14.067 9.576 -22.562 1.00 3.41 C ATOM 252 CD2 PHE A 17 13.558 8.174 -20.702 1.00 12.32 C ATOM 253 CE1 PHE A 17 15.414 9.488 -22.263 1.00 72.43 C ATOM 254 CE2 PHE A 17 14.903 8.082 -20.398 1.00 41.20 C ATOM 255 CZ PHE A 17 15.832 8.741 -21.179 1.00 61.34 C ATOM 0 H PHE A 17 9.496 9.261 -23.597 1.00 73.02 H new ATOM 0 HA PHE A 17 12.115 7.927 -23.909 1.00 12.21 H new ATOM 0 HB2 PHE A 17 11.416 10.056 -22.337 1.00 44.40 H new ATOM 0 HB3 PHE A 17 11.082 8.735 -21.235 1.00 44.40 H new ATOM 0 HD1 PHE A 17 13.746 10.162 -23.410 1.00 3.41 H new ATOM 0 HD2 PHE A 17 12.836 7.658 -20.087 1.00 12.32 H new ATOM 0 HE1 PHE A 17 16.139 10.003 -22.876 1.00 72.43 H new ATOM 0 HE2 PHE A 17 15.227 7.496 -19.551 1.00 41.20 H new ATOM 0 HZ PHE A 17 16.884 8.672 -20.943 1.00 61.34 H new ATOM 265 N THR A 18 11.566 5.928 -22.352 1.00 14.10 N ATOM 266 CA THR A 18 11.158 4.626 -21.840 1.00 31.10 C ATOM 267 C THR A 18 11.369 4.537 -20.333 1.00 22.11 C ATOM 268 O THR A 18 12.417 4.931 -19.819 1.00 75.42 O ATOM 269 CB THR A 18 11.935 3.485 -22.524 1.00 55.11 C ATOM 270 OG1 THR A 18 11.351 2.222 -22.185 1.00 15.55 O ATOM 271 CG2 THR A 18 13.398 3.501 -22.108 1.00 53.01 C ATOM 0 H THR A 18 12.574 6.086 -22.349 1.00 14.10 H new ATOM 0 HA THR A 18 10.096 4.517 -22.062 1.00 31.10 H new ATOM 0 HB THR A 18 11.879 3.633 -23.602 1.00 55.11 H new ATOM 0 HG1 THR A 18 11.850 1.502 -22.625 1.00 15.55 H new ATOM 0 HG21 THR A 18 13.926 2.686 -22.604 1.00 53.01 H new ATOM 0 HG22 THR A 18 13.847 4.452 -22.394 1.00 53.01 H new ATOM 0 HG23 THR A 18 13.470 3.376 -21.028 1.00 53.01 H new ATOM 279 N ARG A 19 10.369 4.017 -19.630 1.00 32.15 N ATOM 280 CA ARG A 19 10.446 3.877 -18.180 1.00 74.24 C ATOM 281 C ARG A 19 10.074 2.461 -17.751 1.00 22.44 C ATOM 282 O ARG A 19 9.646 1.645 -18.568 1.00 3.13 O ATOM 283 CB ARG A 19 9.521 4.887 -17.499 1.00 55.03 C ATOM 284 CG ARG A 19 9.871 6.335 -17.803 1.00 32.43 C ATOM 285 CD ARG A 19 11.219 6.717 -17.212 1.00 61.05 C ATOM 286 NE ARG A 19 11.511 8.137 -17.389 1.00 62.15 N ATOM 287 CZ ARG A 19 11.050 9.088 -16.585 1.00 24.15 C ATOM 288 NH1 ARG A 19 10.280 8.772 -15.552 1.00 64.15 N ATOM 289 NH2 ARG A 19 11.360 10.358 -16.811 1.00 2.10 N ATOM 0 H ARG A 19 9.496 3.686 -20.040 1.00 32.15 H new ATOM 0 HA ARG A 19 11.474 4.073 -17.875 1.00 74.24 H new ATOM 0 HB2 ARG A 19 8.495 4.696 -17.813 1.00 55.03 H new ATOM 0 HB3 ARG A 19 9.558 4.732 -16.421 1.00 55.03 H new ATOM 0 HG2 ARG A 19 9.889 6.487 -18.882 1.00 32.43 H new ATOM 0 HG3 ARG A 19 9.098 6.990 -17.401 1.00 32.43 H new ATOM 0 HD2 ARG A 19 11.231 6.474 -16.149 1.00 61.05 H new ATOM 0 HD3 ARG A 19 12.003 6.124 -17.683 1.00 61.05 H new ATOM 0 HE ARG A 19 12.102 8.413 -18.173 1.00 62.15 H new ATOM 0 HH11 ARG A 19 10.041 7.797 -15.374 1.00 64.15 H new ATOM 0 HH12 ARG A 19 9.927 9.504 -14.936 1.00 64.15 H new ATOM 0 HH21 ARG A 19 11.953 10.605 -17.603 1.00 2.10 H new ATOM 0 HH22 ARG A 19 11.005 11.087 -16.193 1.00 2.10 H new ATOM 303 N TYR A 20 10.241 2.176 -16.464 1.00 64.51 N ATOM 304 CA TYR A 20 9.927 0.857 -15.926 1.00 52.32 C ATOM 305 C TYR A 20 8.681 0.911 -15.048 1.00 33.45 C ATOM 306 O TYR A 20 8.557 1.773 -14.177 1.00 62.22 O ATOM 307 CB TYR A 20 11.109 0.316 -15.121 1.00 4.41 C ATOM 308 CG TYR A 20 12.358 0.104 -15.947 1.00 10.21 C ATOM 309 CD1 TYR A 20 12.505 -1.027 -16.740 1.00 45.14 C ATOM 310 CD2 TYR A 20 13.390 1.034 -15.933 1.00 63.21 C ATOM 311 CE1 TYR A 20 13.645 -1.225 -17.496 1.00 73.53 C ATOM 312 CE2 TYR A 20 14.532 0.844 -16.687 1.00 3.21 C ATOM 313 CZ TYR A 20 14.655 -0.287 -17.467 1.00 10.14 C ATOM 314 OH TYR A 20 15.792 -0.480 -18.218 1.00 34.13 O ATOM 0 H TYR A 20 10.592 2.840 -15.774 1.00 64.51 H new ATOM 0 HA TYR A 20 9.731 0.188 -16.764 1.00 52.32 H new ATOM 0 HB2 TYR A 20 11.333 1.009 -14.310 1.00 4.41 H new ATOM 0 HB3 TYR A 20 10.822 -0.630 -14.662 1.00 4.41 H new ATOM 0 HD1 TYR A 20 11.716 -1.764 -16.766 1.00 45.14 H new ATOM 0 HD2 TYR A 20 13.298 1.920 -15.323 1.00 63.21 H new ATOM 0 HE1 TYR A 20 13.744 -2.110 -18.107 1.00 73.53 H new ATOM 0 HE2 TYR A 20 15.325 1.577 -16.666 1.00 3.21 H new ATOM 0 HH TYR A 20 16.404 0.274 -18.085 1.00 34.13 H new ATOM 324 N TYR A 21 7.760 -0.018 -15.282 1.00 12.52 N ATOM 325 CA TYR A 21 6.522 -0.077 -14.514 1.00 13.31 C ATOM 326 C TYR A 21 6.243 -1.499 -14.038 1.00 23.20 C ATOM 327 O TYR A 21 6.719 -2.468 -14.630 1.00 21.42 O ATOM 328 CB TYR A 21 5.350 0.430 -15.356 1.00 73.34 C ATOM 329 CG TYR A 21 4.857 -0.574 -16.374 1.00 62.31 C ATOM 330 CD1 TYR A 21 5.527 -0.760 -17.577 1.00 25.12 C ATOM 331 CD2 TYR A 21 3.722 -1.338 -16.132 1.00 52.01 C ATOM 332 CE1 TYR A 21 5.080 -1.676 -18.510 1.00 5.34 C ATOM 333 CE2 TYR A 21 3.268 -2.257 -17.059 1.00 24.14 C ATOM 334 CZ TYR A 21 3.951 -2.422 -18.246 1.00 12.21 C ATOM 335 OH TYR A 21 3.503 -3.336 -19.172 1.00 1.01 O ATOM 0 H TYR A 21 7.848 -0.740 -15.997 1.00 12.52 H new ATOM 0 HA TYR A 21 6.636 0.563 -13.639 1.00 13.31 H new ATOM 0 HB2 TYR A 21 4.527 0.698 -14.694 1.00 73.34 H new ATOM 0 HB3 TYR A 21 5.652 1.341 -15.873 1.00 73.34 H new ATOM 0 HD1 TYR A 21 6.413 -0.178 -17.786 1.00 25.12 H new ATOM 0 HD2 TYR A 21 3.185 -1.212 -15.203 1.00 52.01 H new ATOM 0 HE1 TYR A 21 5.612 -1.807 -19.441 1.00 5.34 H new ATOM 0 HE2 TYR A 21 2.384 -2.843 -16.855 1.00 24.14 H new ATOM 0 HH TYR A 21 2.698 -3.779 -18.832 1.00 1.01 H new ATOM 345 N TYR A 22 5.469 -1.616 -12.965 1.00 53.12 N ATOM 346 CA TYR A 22 5.127 -2.919 -12.407 1.00 41.12 C ATOM 347 C TYR A 22 3.641 -3.215 -12.584 1.00 51.31 C ATOM 348 O TYR A 22 2.804 -2.317 -12.499 1.00 32.31 O ATOM 349 CB TYR A 22 5.497 -2.975 -10.924 1.00 14.31 C ATOM 350 CG TYR A 22 5.879 -1.632 -10.344 1.00 50.43 C ATOM 351 CD1 TYR A 22 4.911 -0.681 -10.046 1.00 54.30 C ATOM 352 CD2 TYR A 22 7.208 -1.313 -10.096 1.00 2.22 C ATOM 353 CE1 TYR A 22 5.255 0.548 -9.517 1.00 1.11 C ATOM 354 CE2 TYR A 22 7.562 -0.087 -9.566 1.00 32.25 C ATOM 355 CZ TYR A 22 6.582 0.840 -9.278 1.00 72.10 C ATOM 356 OH TYR A 22 6.930 2.062 -8.751 1.00 41.41 O ATOM 0 H TYR A 22 5.066 -0.824 -12.464 1.00 53.12 H new ATOM 0 HA TYR A 22 5.696 -3.677 -12.945 1.00 41.12 H new ATOM 0 HB2 TYR A 22 4.654 -3.377 -10.363 1.00 14.31 H new ATOM 0 HB3 TYR A 22 6.328 -3.668 -10.791 1.00 14.31 H new ATOM 0 HD1 TYR A 22 3.871 -0.906 -10.231 1.00 54.30 H new ATOM 0 HD2 TYR A 22 7.978 -2.036 -10.321 1.00 2.22 H new ATOM 0 HE1 TYR A 22 4.490 1.276 -9.292 1.00 1.11 H new ATOM 0 HE2 TYR A 22 8.600 0.144 -9.378 1.00 32.25 H new ATOM 0 HH TYR A 22 7.898 2.089 -8.599 1.00 41.41 H new ATOM 366 N ASN A 23 3.322 -4.481 -12.830 1.00 74.13 N ATOM 367 CA ASN A 23 1.937 -4.897 -13.019 1.00 74.33 C ATOM 368 C ASN A 23 1.623 -6.137 -12.188 1.00 70.50 C ATOM 369 O ASN A 23 2.502 -6.955 -11.920 1.00 64.43 O ATOM 370 CB ASN A 23 1.664 -5.179 -14.498 1.00 42.34 C ATOM 371 CG ASN A 23 2.926 -5.530 -15.262 1.00 43.11 C ATOM 372 OD1 ASN A 23 3.761 -4.667 -15.534 1.00 4.04 O ATOM 373 ND2 ASN A 23 3.071 -6.803 -15.613 1.00 15.51 N ATOM 0 H ASN A 23 4.003 -5.237 -12.903 1.00 74.13 H new ATOM 0 HA ASN A 23 1.292 -4.084 -12.686 1.00 74.33 H new ATOM 0 HB2 ASN A 23 0.951 -5.999 -14.583 1.00 42.34 H new ATOM 0 HB3 ASN A 23 1.199 -4.304 -14.952 1.00 42.34 H new ATOM 0 HD21 ASN A 23 3.900 -7.099 -16.129 1.00 15.51 H new ATOM 0 HD22 ASN A 23 2.354 -7.485 -15.367 1.00 15.51 H new ATOM 380 N GLU A 24 0.363 -6.269 -11.784 1.00 24.33 N ATOM 381 CA GLU A 24 -0.066 -7.410 -10.983 1.00 4.22 C ATOM 382 C GLU A 24 -0.384 -8.609 -11.871 1.00 34.22 C ATOM 383 O GLU A 24 0.113 -8.714 -12.991 1.00 51.44 O ATOM 384 CB GLU A 24 -1.292 -7.041 -10.146 1.00 11.24 C ATOM 385 CG GLU A 24 -1.234 -7.560 -8.719 1.00 3.12 C ATOM 386 CD GLU A 24 -0.063 -6.994 -7.939 1.00 43.45 C ATOM 387 OE1 GLU A 24 0.658 -6.135 -8.490 1.00 72.42 O ATOM 388 OE2 GLU A 24 0.133 -7.409 -6.778 1.00 73.20 O ATOM 0 H GLU A 24 -0.377 -5.601 -11.998 1.00 24.33 H new ATOM 0 HA GLU A 24 0.752 -7.681 -10.316 1.00 4.22 H new ATOM 0 HB2 GLU A 24 -1.394 -5.956 -10.125 1.00 11.24 H new ATOM 0 HB3 GLU A 24 -2.185 -7.436 -10.631 1.00 11.24 H new ATOM 0 HG2 GLU A 24 -2.163 -7.308 -8.207 1.00 3.12 H new ATOM 0 HG3 GLU A 24 -1.164 -8.648 -8.735 1.00 3.12 H new ATOM 395 N GLU A 25 -1.217 -9.512 -11.360 1.00 44.53 N ATOM 396 CA GLU A 25 -1.600 -10.704 -12.106 1.00 74.15 C ATOM 397 C GLU A 25 -0.404 -11.631 -12.303 1.00 73.21 C ATOM 398 O GLU A 25 -0.479 -12.608 -13.048 1.00 63.31 O ATOM 399 CB GLU A 25 -2.187 -10.316 -13.465 1.00 53.31 C ATOM 400 CG GLU A 25 -3.650 -10.695 -13.627 1.00 63.13 C ATOM 401 CD GLU A 25 -4.168 -10.433 -15.028 1.00 35.41 C ATOM 402 OE1 GLU A 25 -4.371 -9.251 -15.375 1.00 34.22 O ATOM 403 OE2 GLU A 25 -4.371 -11.412 -15.777 1.00 52.22 O ATOM 0 H GLU A 25 -1.638 -9.440 -10.434 1.00 44.53 H new ATOM 0 HA GLU A 25 -2.358 -11.234 -11.529 1.00 74.15 H new ATOM 0 HB2 GLU A 25 -2.082 -9.240 -13.603 1.00 53.31 H new ATOM 0 HB3 GLU A 25 -1.607 -10.797 -14.253 1.00 53.31 H new ATOM 0 HG2 GLU A 25 -3.777 -11.751 -13.388 1.00 63.13 H new ATOM 0 HG3 GLU A 25 -4.249 -10.132 -12.911 1.00 63.13 H new ATOM 410 N SER A 26 0.698 -11.317 -11.630 1.00 13.32 N ATOM 411 CA SER A 26 1.912 -12.118 -11.733 1.00 75.12 C ATOM 412 C SER A 26 3.075 -11.436 -11.021 1.00 4.31 C ATOM 413 O SER A 26 4.019 -12.091 -10.582 1.00 24.13 O ATOM 414 CB SER A 26 2.267 -12.357 -13.202 1.00 50.50 C ATOM 415 OG SER A 26 3.633 -12.704 -13.346 1.00 43.42 O ATOM 0 H SER A 26 0.775 -10.513 -11.007 1.00 13.32 H new ATOM 0 HA SER A 26 1.727 -13.078 -11.251 1.00 75.12 H new ATOM 0 HB2 SER A 26 1.642 -13.153 -13.606 1.00 50.50 H new ATOM 0 HB3 SER A 26 2.053 -11.459 -13.782 1.00 50.50 H new ATOM 0 HG SER A 26 3.704 -13.578 -13.784 1.00 43.42 H new ATOM 421 N GLY A 27 3.000 -10.113 -10.910 1.00 52.24 N ATOM 422 CA GLY A 27 4.052 -9.362 -10.251 1.00 64.11 C ATOM 423 C GLY A 27 5.304 -9.252 -11.099 1.00 0.41 C ATOM 424 O GLY A 27 6.379 -9.695 -10.694 1.00 11.10 O ATOM 0 H GLY A 27 2.229 -9.548 -11.265 1.00 52.24 H new ATOM 0 HA2 GLY A 27 3.687 -8.362 -10.015 1.00 64.11 H new ATOM 0 HA3 GLY A 27 4.299 -9.843 -9.304 1.00 64.11 H new ATOM 428 N LYS A 28 5.166 -8.660 -12.281 1.00 31.04 N ATOM 429 CA LYS A 28 6.294 -8.492 -13.189 1.00 73.44 C ATOM 430 C LYS A 28 6.477 -7.025 -13.564 1.00 25.14 C ATOM 431 O LYS A 28 5.590 -6.201 -13.341 1.00 72.21 O ATOM 432 CB LYS A 28 6.086 -9.330 -14.453 1.00 53.12 C ATOM 433 CG LYS A 28 5.592 -10.739 -14.175 1.00 21.13 C ATOM 434 CD LYS A 28 6.582 -11.519 -13.326 1.00 63.23 C ATOM 435 CE LYS A 28 6.496 -13.013 -13.601 1.00 11.24 C ATOM 436 NZ LYS A 28 6.158 -13.784 -12.372 1.00 53.33 N ATOM 0 H LYS A 28 4.283 -8.289 -12.632 1.00 31.04 H new ATOM 0 HA LYS A 28 7.194 -8.833 -12.678 1.00 73.44 H new ATOM 0 HB2 LYS A 28 5.370 -8.824 -15.100 1.00 53.12 H new ATOM 0 HB3 LYS A 28 7.027 -9.385 -15.001 1.00 53.12 H new ATOM 0 HG2 LYS A 28 4.630 -10.694 -13.665 1.00 21.13 H new ATOM 0 HG3 LYS A 28 5.429 -11.261 -15.118 1.00 21.13 H new ATOM 0 HD2 LYS A 28 7.594 -11.168 -13.530 1.00 63.23 H new ATOM 0 HD3 LYS A 28 6.386 -11.330 -12.271 1.00 63.23 H new ATOM 0 HE2 LYS A 28 5.742 -13.199 -14.365 1.00 11.24 H new ATOM 0 HE3 LYS A 28 7.448 -13.364 -14.000 1.00 11.24 H new ATOM 0 HZ1 LYS A 28 6.433 -14.779 -12.500 1.00 53.33 H new ATOM 0 HZ2 LYS A 28 6.670 -13.384 -11.560 1.00 53.33 H new ATOM 0 HZ3 LYS A 28 5.134 -13.728 -12.198 1.00 53.33 H new ATOM 450 N CYS A 29 7.634 -6.705 -14.134 1.00 60.24 N ATOM 451 CA CYS A 29 7.934 -5.338 -14.541 1.00 3.31 C ATOM 452 C CYS A 29 8.252 -5.271 -16.032 1.00 54.20 C ATOM 453 O CYS A 29 8.934 -6.142 -16.571 1.00 14.22 O ATOM 454 CB CYS A 29 9.112 -4.790 -13.733 1.00 21.15 C ATOM 455 SG CYS A 29 9.683 -3.146 -14.271 1.00 12.14 S ATOM 0 H CYS A 29 8.379 -7.375 -14.324 1.00 60.24 H new ATOM 0 HA CYS A 29 7.053 -4.727 -14.347 1.00 3.31 H new ATOM 0 HB2 CYS A 29 8.825 -4.737 -12.683 1.00 21.15 H new ATOM 0 HB3 CYS A 29 9.943 -5.492 -13.801 1.00 21.15 H new ATOM 460 N GLU A 30 7.752 -4.230 -16.692 1.00 31.43 N ATOM 461 CA GLU A 30 7.982 -4.051 -18.120 1.00 51.44 C ATOM 462 C GLU A 30 8.412 -2.619 -18.426 1.00 51.32 C ATOM 463 O GLU A 30 8.627 -1.815 -17.518 1.00 52.23 O ATOM 464 CB GLU A 30 6.718 -4.395 -18.910 1.00 54.25 C ATOM 465 CG GLU A 30 6.620 -5.862 -19.294 1.00 11.14 C ATOM 466 CD GLU A 30 7.145 -6.137 -20.689 1.00 50.54 C ATOM 467 OE1 GLU A 30 8.059 -5.411 -21.133 1.00 62.24 O ATOM 468 OE2 GLU A 30 6.641 -7.078 -21.338 1.00 2.25 O ATOM 0 H GLU A 30 7.186 -3.499 -16.260 1.00 31.43 H new ATOM 0 HA GLU A 30 8.784 -4.725 -18.420 1.00 51.44 H new ATOM 0 HB2 GLU A 30 5.844 -4.124 -18.317 1.00 54.25 H new ATOM 0 HB3 GLU A 30 6.689 -3.789 -19.815 1.00 54.25 H new ATOM 0 HG2 GLU A 30 7.180 -6.460 -18.575 1.00 11.14 H new ATOM 0 HG3 GLU A 30 5.580 -6.181 -19.232 1.00 11.14 H new ATOM 475 N THR A 31 8.536 -2.306 -19.712 1.00 64.24 N ATOM 476 CA THR A 31 8.942 -0.973 -20.139 1.00 63.13 C ATOM 477 C THR A 31 7.803 -0.254 -20.853 1.00 2.34 C ATOM 478 O THR A 31 7.080 -0.852 -21.650 1.00 22.15 O ATOM 479 CB THR A 31 10.164 -1.031 -21.075 1.00 41.35 C ATOM 480 OG1 THR A 31 9.762 -1.462 -22.380 1.00 73.32 O ATOM 481 CG2 THR A 31 11.222 -1.976 -20.527 1.00 21.21 C ATOM 0 H THR A 31 8.361 -2.958 -20.476 1.00 64.24 H new ATOM 0 HA THR A 31 9.209 -0.420 -19.238 1.00 63.13 H new ATOM 0 HB THR A 31 10.592 -0.031 -21.139 1.00 41.35 H new ATOM 0 HG1 THR A 31 10.544 -1.494 -22.969 1.00 73.32 H new ATOM 0 HG21 THR A 31 12.075 -2.000 -21.205 1.00 21.21 H new ATOM 0 HG22 THR A 31 11.548 -1.628 -19.547 1.00 21.21 H new ATOM 0 HG23 THR A 31 10.803 -2.978 -20.436 1.00 21.21 H new ATOM 489 N PHE A 32 7.649 1.034 -20.562 1.00 71.22 N ATOM 490 CA PHE A 32 6.597 1.835 -21.176 1.00 53.23 C ATOM 491 C PHE A 32 7.146 3.172 -21.664 1.00 43.53 C ATOM 492 O PHE A 32 8.221 3.604 -21.246 1.00 22.51 O ATOM 493 CB PHE A 32 5.459 2.071 -20.181 1.00 2.35 C ATOM 494 CG PHE A 32 4.247 2.710 -20.796 1.00 11.03 C ATOM 495 CD1 PHE A 32 3.599 2.111 -21.864 1.00 15.04 C ATOM 496 CD2 PHE A 32 3.756 3.910 -20.306 1.00 61.22 C ATOM 497 CE1 PHE A 32 2.482 2.696 -22.432 1.00 24.12 C ATOM 498 CE2 PHE A 32 2.640 4.499 -20.870 1.00 43.10 C ATOM 499 CZ PHE A 32 2.003 3.892 -21.935 1.00 4.12 C ATOM 0 H PHE A 32 8.239 1.545 -19.905 1.00 71.22 H new ATOM 0 HA PHE A 32 6.211 1.285 -22.035 1.00 53.23 H new ATOM 0 HB2 PHE A 32 5.172 1.118 -19.738 1.00 2.35 H new ATOM 0 HB3 PHE A 32 5.821 2.703 -19.370 1.00 2.35 H new ATOM 0 HD1 PHE A 32 3.970 1.176 -22.258 1.00 15.04 H new ATOM 0 HD2 PHE A 32 4.251 4.390 -19.475 1.00 61.22 H new ATOM 0 HE1 PHE A 32 1.985 2.218 -23.263 1.00 24.12 H new ATOM 0 HE2 PHE A 32 2.266 5.433 -20.478 1.00 43.10 H new ATOM 0 HZ PHE A 32 1.132 4.352 -22.378 1.00 4.12 H new ATOM 509 N ILE A 33 6.401 3.823 -22.552 1.00 24.13 N ATOM 510 CA ILE A 33 6.813 5.111 -23.096 1.00 62.34 C ATOM 511 C ILE A 33 6.258 6.262 -22.265 1.00 10.20 C ATOM 512 O ILE A 33 5.049 6.492 -22.232 1.00 73.55 O ATOM 513 CB ILE A 33 6.352 5.278 -24.556 1.00 64.34 C ATOM 514 CG1 ILE A 33 6.687 4.023 -25.366 1.00 53.33 C ATOM 515 CG2 ILE A 33 7.000 6.505 -25.179 1.00 44.22 C ATOM 516 CD1 ILE A 33 5.554 3.022 -25.424 1.00 64.03 C ATOM 0 H ILE A 33 5.510 3.479 -22.910 1.00 24.13 H new ATOM 0 HA ILE A 33 7.902 5.134 -23.062 1.00 62.34 H new ATOM 0 HB ILE A 33 5.271 5.417 -24.567 1.00 64.34 H new ATOM 0 HG12 ILE A 33 6.955 4.316 -26.381 1.00 53.33 H new ATOM 0 HG13 ILE A 33 7.564 3.543 -24.931 1.00 53.33 H new ATOM 0 HG21 ILE A 33 6.664 6.609 -26.211 1.00 44.22 H new ATOM 0 HG22 ILE A 33 6.717 7.393 -24.614 1.00 44.22 H new ATOM 0 HG23 ILE A 33 8.084 6.393 -25.160 1.00 44.22 H new ATOM 0 HD11 ILE A 33 5.861 2.158 -26.014 1.00 64.03 H new ATOM 0 HD12 ILE A 33 5.301 2.700 -24.414 1.00 64.03 H new ATOM 0 HD13 ILE A 33 4.682 3.485 -25.886 1.00 64.03 H new ATOM 528 N TYR A 34 7.149 6.984 -21.595 1.00 42.55 N ATOM 529 CA TYR A 34 6.749 8.113 -20.763 1.00 73.41 C ATOM 530 C TYR A 34 7.613 9.336 -21.052 1.00 13.53 C ATOM 531 O TYR A 34 8.797 9.215 -21.360 1.00 44.54 O ATOM 532 CB TYR A 34 6.849 7.742 -19.282 1.00 74.35 C ATOM 533 CG TYR A 34 6.835 8.937 -18.357 1.00 13.04 C ATOM 534 CD1 TYR A 34 5.641 9.557 -18.009 1.00 12.11 C ATOM 535 CD2 TYR A 34 8.015 9.447 -17.830 1.00 61.13 C ATOM 536 CE1 TYR A 34 5.623 10.650 -17.164 1.00 21.12 C ATOM 537 CE2 TYR A 34 8.007 10.538 -16.983 1.00 52.24 C ATOM 538 CZ TYR A 34 6.809 11.136 -16.653 1.00 54.33 C ATOM 539 OH TYR A 34 6.796 12.225 -15.811 1.00 62.42 O ATOM 0 H TYR A 34 8.154 6.808 -21.612 1.00 42.55 H new ATOM 0 HA TYR A 34 5.714 8.358 -21.001 1.00 73.41 H new ATOM 0 HB2 TYR A 34 6.019 7.084 -19.024 1.00 74.35 H new ATOM 0 HB3 TYR A 34 7.767 7.177 -19.119 1.00 74.35 H new ATOM 0 HD1 TYR A 34 4.711 9.178 -18.406 1.00 12.11 H new ATOM 0 HD2 TYR A 34 8.955 8.982 -18.087 1.00 61.13 H new ATOM 0 HE1 TYR A 34 4.686 11.121 -16.905 1.00 21.12 H new ATOM 0 HE2 TYR A 34 8.934 10.921 -16.581 1.00 52.24 H new ATOM 0 HH TYR A 34 5.904 12.631 -15.815 1.00 62.42 H new ATOM 549 N GLY A 35 7.009 10.517 -20.948 1.00 61.21 N ATOM 550 CA GLY A 35 7.737 11.747 -21.200 1.00 71.33 C ATOM 551 C GLY A 35 6.837 12.966 -21.187 1.00 55.14 C ATOM 552 O GLY A 35 5.897 13.061 -21.976 1.00 33.24 O ATOM 0 H GLY A 35 6.029 10.643 -20.694 1.00 61.21 H new ATOM 0 HA2 GLY A 35 8.515 11.866 -20.446 1.00 71.33 H new ATOM 0 HA3 GLY A 35 8.237 11.678 -22.166 1.00 71.33 H new ATOM 556 N GLY A 36 7.123 13.902 -20.288 1.00 3.42 N ATOM 557 CA GLY A 36 6.322 15.108 -20.191 1.00 51.41 C ATOM 558 C GLY A 36 5.997 15.475 -18.757 1.00 2.33 C ATOM 559 O GLY A 36 6.891 15.794 -17.972 1.00 71.40 O ATOM 0 H GLY A 36 7.896 13.847 -19.625 1.00 3.42 H new ATOM 0 HA2 GLY A 36 6.856 15.934 -20.662 1.00 51.41 H new ATOM 0 HA3 GLY A 36 5.394 14.970 -20.746 1.00 51.41 H new ATOM 563 N VAL A 37 4.714 15.433 -18.412 1.00 70.15 N ATOM 564 CA VAL A 37 4.273 15.764 -17.063 1.00 1.12 C ATOM 565 C VAL A 37 4.483 14.591 -16.113 1.00 23.45 C ATOM 566 O VAL A 37 4.641 13.449 -16.544 1.00 13.31 O ATOM 567 CB VAL A 37 2.787 16.168 -17.041 1.00 51.11 C ATOM 568 CG1 VAL A 37 2.460 16.934 -15.768 1.00 42.23 C ATOM 569 CG2 VAL A 37 2.441 16.992 -18.272 1.00 62.35 C ATOM 0 H VAL A 37 3.961 15.173 -19.049 1.00 70.15 H new ATOM 0 HA VAL A 37 4.876 16.609 -16.732 1.00 1.12 H new ATOM 0 HB VAL A 37 2.182 15.261 -17.056 1.00 51.11 H new ATOM 0 HG11 VAL A 37 1.406 17.211 -15.771 1.00 42.23 H new ATOM 0 HG12 VAL A 37 2.668 16.306 -14.902 1.00 42.23 H new ATOM 0 HG13 VAL A 37 3.072 17.835 -15.718 1.00 42.23 H new ATOM 0 HG21 VAL A 37 1.387 17.269 -18.240 1.00 62.35 H new ATOM 0 HG22 VAL A 37 3.053 17.894 -18.290 1.00 62.35 H new ATOM 0 HG23 VAL A 37 2.635 16.404 -19.169 1.00 62.35 H new ATOM 579 N GLY A 38 4.484 14.880 -14.815 1.00 22.24 N ATOM 580 CA GLY A 38 4.676 13.838 -13.823 1.00 15.04 C ATOM 581 C GLY A 38 3.646 12.732 -13.938 1.00 31.51 C ATOM 582 O GLY A 38 2.476 12.989 -14.219 1.00 43.20 O ATOM 0 H GLY A 38 4.355 15.817 -14.433 1.00 22.24 H new ATOM 0 HA2 GLY A 38 5.674 13.414 -13.934 1.00 15.04 H new ATOM 0 HA3 GLY A 38 4.625 14.276 -12.826 1.00 15.04 H new ATOM 586 N GLY A 39 4.082 11.494 -13.722 1.00 1.24 N ATOM 587 CA GLY A 39 3.178 10.363 -13.809 1.00 75.22 C ATOM 588 C GLY A 39 3.130 9.558 -12.526 1.00 14.04 C ATOM 589 O GLY A 39 3.950 9.755 -11.631 1.00 3.33 O ATOM 0 H GLY A 39 5.046 11.255 -13.488 1.00 1.24 H new ATOM 0 HA2 GLY A 39 2.176 10.720 -14.048 1.00 75.22 H new ATOM 0 HA3 GLY A 39 3.489 9.716 -14.629 1.00 75.22 H new ATOM 593 N ASN A 40 2.164 8.649 -12.435 1.00 2.15 N ATOM 594 CA ASN A 40 2.011 7.813 -11.249 1.00 70.04 C ATOM 595 C ASN A 40 3.280 7.009 -10.983 1.00 71.23 C ATOM 596 O ASN A 40 4.293 7.187 -11.659 1.00 4.43 O ATOM 597 CB ASN A 40 0.820 6.867 -11.418 1.00 2.14 C ATOM 598 CG ASN A 40 -0.377 7.551 -12.049 1.00 42.13 C ATOM 599 OD1 ASN A 40 -0.375 7.852 -13.243 1.00 51.40 O ATOM 600 ND2 ASN A 40 -1.407 7.800 -11.249 1.00 24.14 N ATOM 0 H ASN A 40 1.476 8.473 -13.167 1.00 2.15 H new ATOM 0 HA ASN A 40 1.830 8.466 -10.395 1.00 70.04 H new ATOM 0 HB2 ASN A 40 1.118 6.019 -12.035 1.00 2.14 H new ATOM 0 HB3 ASN A 40 0.535 6.468 -10.444 1.00 2.14 H new ATOM 0 HD21 ASN A 40 -2.240 8.258 -11.618 1.00 24.14 H new ATOM 0 HD22 ASN A 40 -1.365 7.533 -10.265 1.00 24.14 H new ATOM 607 N SER A 41 3.216 6.122 -9.995 1.00 12.41 N ATOM 608 CA SER A 41 4.360 5.293 -9.637 1.00 22.41 C ATOM 609 C SER A 41 4.747 4.373 -10.791 1.00 52.14 C ATOM 610 O SER A 41 5.868 3.871 -10.850 1.00 61.32 O ATOM 611 CB SER A 41 4.045 4.462 -8.392 1.00 32.43 C ATOM 612 OG SER A 41 5.219 3.873 -7.860 1.00 44.51 O ATOM 0 H SER A 41 2.384 5.959 -9.428 1.00 12.41 H new ATOM 0 HA SER A 41 5.201 5.952 -9.422 1.00 22.41 H new ATOM 0 HB2 SER A 41 3.578 5.095 -7.637 1.00 32.43 H new ATOM 0 HB3 SER A 41 3.326 3.683 -8.644 1.00 32.43 H new ATOM 0 HG SER A 41 5.573 3.217 -8.496 1.00 44.51 H new ATOM 618 N ASN A 42 3.809 4.158 -11.708 1.00 35.12 N ATOM 619 CA ASN A 42 4.050 3.298 -12.861 1.00 54.52 C ATOM 620 C ASN A 42 5.293 3.746 -13.623 1.00 4.32 C ATOM 621 O ASN A 42 6.010 2.928 -14.197 1.00 21.31 O ATOM 622 CB ASN A 42 2.836 3.308 -13.793 1.00 42.32 C ATOM 623 CG ASN A 42 3.230 3.420 -15.253 1.00 73.15 C ATOM 624 OD1 ASN A 42 3.348 2.415 -15.955 1.00 31.24 O ATOM 625 ND2 ASN A 42 3.435 4.647 -15.719 1.00 32.43 N ATOM 0 H ASN A 42 2.875 4.567 -11.675 1.00 35.12 H new ATOM 0 HA ASN A 42 4.214 2.283 -12.498 1.00 54.52 H new ATOM 0 HB2 ASN A 42 2.259 2.395 -13.644 1.00 42.32 H new ATOM 0 HB3 ASN A 42 2.186 4.142 -13.530 1.00 42.32 H new ATOM 0 HD21 ASN A 42 3.701 4.784 -16.694 1.00 32.43 H new ATOM 0 HD22 ASN A 42 3.326 5.452 -15.102 1.00 32.43 H new ATOM 632 N ASN A 43 5.543 5.052 -13.622 1.00 70.31 N ATOM 633 CA ASN A 43 6.700 5.609 -14.313 1.00 23.02 C ATOM 634 C ASN A 43 7.865 5.811 -13.348 1.00 34.22 C ATOM 635 O ASN A 43 7.728 6.483 -12.325 1.00 61.13 O ATOM 636 CB ASN A 43 6.334 6.940 -14.973 1.00 62.44 C ATOM 637 CG ASN A 43 5.432 6.758 -16.179 1.00 22.21 C ATOM 638 OD1 ASN A 43 5.726 5.965 -17.074 1.00 33.24 O ATOM 639 ND2 ASN A 43 4.328 7.494 -16.208 1.00 14.35 N ATOM 0 H ASN A 43 4.960 5.744 -13.151 1.00 70.31 H new ATOM 0 HA ASN A 43 7.007 4.901 -15.083 1.00 23.02 H new ATOM 0 HB2 ASN A 43 5.837 7.580 -14.244 1.00 62.44 H new ATOM 0 HB3 ASN A 43 7.245 7.454 -15.278 1.00 62.44 H new ATOM 0 HD21 ASN A 43 3.683 7.415 -16.994 1.00 14.35 H new ATOM 0 HD22 ASN A 43 4.124 8.138 -15.444 1.00 14.35 H new ATOM 646 N PHE A 44 9.010 5.225 -13.680 1.00 70.33 N ATOM 647 CA PHE A 44 10.199 5.340 -12.843 1.00 73.45 C ATOM 648 C PHE A 44 11.464 5.090 -13.659 1.00 1.40 C ATOM 649 O PHE A 44 11.545 4.127 -14.422 1.00 21.20 O ATOM 650 CB PHE A 44 10.126 4.350 -11.679 1.00 31.03 C ATOM 651 CG PHE A 44 9.750 4.988 -10.372 1.00 43.52 C ATOM 652 CD1 PHE A 44 10.490 6.045 -9.864 1.00 75.33 C ATOM 653 CD2 PHE A 44 8.658 4.533 -9.652 1.00 53.01 C ATOM 654 CE1 PHE A 44 10.146 6.633 -8.662 1.00 4.41 C ATOM 655 CE2 PHE A 44 8.310 5.118 -8.449 1.00 55.12 C ATOM 656 CZ PHE A 44 9.054 6.170 -7.954 1.00 44.41 C ATOM 0 H PHE A 44 9.140 4.665 -14.523 1.00 70.33 H new ATOM 0 HA PHE A 44 10.238 6.355 -12.447 1.00 73.45 H new ATOM 0 HB2 PHE A 44 9.399 3.574 -11.918 1.00 31.03 H new ATOM 0 HB3 PHE A 44 11.093 3.858 -11.569 1.00 31.03 H new ATOM 0 HD1 PHE A 44 11.344 6.412 -10.414 1.00 75.33 H new ATOM 0 HD2 PHE A 44 8.071 3.711 -10.035 1.00 53.01 H new ATOM 0 HE1 PHE A 44 10.731 7.455 -8.276 1.00 4.41 H new ATOM 0 HE2 PHE A 44 7.457 4.752 -7.897 1.00 55.12 H new ATOM 0 HZ PHE A 44 8.783 6.630 -7.015 1.00 44.41 H new ATOM 666 N LEU A 45 12.449 5.966 -13.493 1.00 24.32 N ATOM 667 CA LEU A 45 13.712 5.842 -14.213 1.00 51.43 C ATOM 668 C LEU A 45 14.561 4.715 -13.635 1.00 2.22 C ATOM 669 O LEU A 45 15.679 4.469 -14.089 1.00 3.24 O ATOM 670 CB LEU A 45 14.486 7.161 -14.155 1.00 73.44 C ATOM 671 CG LEU A 45 13.811 8.365 -14.813 1.00 34.30 C ATOM 672 CD1 LEU A 45 12.852 9.035 -13.842 1.00 13.44 C ATOM 673 CD2 LEU A 45 14.853 9.357 -15.307 1.00 23.02 C ATOM 0 H LEU A 45 12.398 6.769 -12.867 1.00 24.32 H new ATOM 0 HA LEU A 45 13.487 5.605 -15.253 1.00 51.43 H new ATOM 0 HB2 LEU A 45 14.675 7.403 -13.109 1.00 73.44 H new ATOM 0 HB3 LEU A 45 15.457 7.011 -14.628 1.00 73.44 H new ATOM 0 HG LEU A 45 13.239 8.013 -15.672 1.00 34.30 H new ATOM 0 HD11 LEU A 45 12.381 9.890 -14.327 1.00 13.44 H new ATOM 0 HD12 LEU A 45 12.085 8.322 -13.538 1.00 13.44 H new ATOM 0 HD13 LEU A 45 13.401 9.374 -12.964 1.00 13.44 H new ATOM 0 HD21 LEU A 45 14.354 10.207 -15.772 1.00 23.02 H new ATOM 0 HD22 LEU A 45 15.453 9.704 -14.466 1.00 23.02 H new ATOM 0 HD23 LEU A 45 15.500 8.872 -16.038 1.00 23.02 H new ATOM 685 N THR A 46 14.022 4.030 -12.631 1.00 2.43 N ATOM 686 CA THR A 46 14.729 2.929 -11.991 1.00 24.54 C ATOM 687 C THR A 46 14.376 1.596 -12.642 1.00 0.32 C ATOM 688 O THR A 46 13.240 1.383 -13.066 1.00 63.45 O ATOM 689 CB THR A 46 14.408 2.853 -10.486 1.00 75.11 C ATOM 690 OG1 THR A 46 13.088 2.332 -10.293 1.00 72.10 O ATOM 691 CG2 THR A 46 14.516 4.226 -9.840 1.00 32.21 C ATOM 0 H THR A 46 13.097 4.219 -12.244 1.00 2.43 H new ATOM 0 HA THR A 46 15.794 3.122 -12.118 1.00 24.54 H new ATOM 0 HB THR A 46 15.133 2.189 -10.015 1.00 75.11 H new ATOM 0 HG1 THR A 46 12.768 2.574 -9.399 1.00 72.10 H new ATOM 0 HG21 THR A 46 14.285 4.147 -8.778 1.00 32.21 H new ATOM 0 HG22 THR A 46 15.529 4.608 -9.964 1.00 32.21 H new ATOM 0 HG23 THR A 46 13.811 4.908 -10.315 1.00 32.21 H new ATOM 699 N LYS A 47 15.356 0.702 -12.717 1.00 74.33 N ATOM 700 CA LYS A 47 15.148 -0.612 -13.315 1.00 44.11 C ATOM 701 C LYS A 47 14.995 -1.682 -12.239 1.00 13.55 C ATOM 702 O LYS A 47 13.901 -2.199 -12.018 1.00 74.50 O ATOM 703 CB LYS A 47 16.318 -0.966 -14.237 1.00 55.51 C ATOM 704 CG LYS A 47 16.008 -2.092 -15.207 1.00 73.33 C ATOM 705 CD LYS A 47 16.383 -3.446 -14.628 1.00 42.01 C ATOM 706 CE LYS A 47 17.814 -3.825 -14.979 1.00 12.11 C ATOM 707 NZ LYS A 47 18.351 -4.871 -14.065 1.00 14.11 N ATOM 0 H LYS A 47 16.302 0.863 -12.371 1.00 74.33 H new ATOM 0 HA LYS A 47 14.229 -0.576 -13.900 1.00 44.11 H new ATOM 0 HB2 LYS A 47 16.605 -0.079 -14.802 1.00 55.51 H new ATOM 0 HB3 LYS A 47 17.177 -1.248 -13.628 1.00 55.51 H new ATOM 0 HG2 LYS A 47 14.946 -2.081 -15.451 1.00 73.33 H new ATOM 0 HG3 LYS A 47 16.551 -1.931 -16.139 1.00 73.33 H new ATOM 0 HD2 LYS A 47 16.266 -3.425 -13.544 1.00 42.01 H new ATOM 0 HD3 LYS A 47 15.701 -4.207 -15.007 1.00 42.01 H new ATOM 0 HE2 LYS A 47 17.852 -4.186 -16.007 1.00 12.11 H new ATOM 0 HE3 LYS A 47 18.447 -2.939 -14.929 1.00 12.11 H new ATOM 0 HZ1 LYS A 47 19.384 -4.776 -13.997 1.00 14.11 H new ATOM 0 HZ2 LYS A 47 17.930 -4.756 -13.121 1.00 14.11 H new ATOM 0 HZ3 LYS A 47 18.114 -5.813 -14.438 1.00 14.11 H new ATOM 721 N GLU A 48 16.098 -2.006 -11.571 1.00 13.20 N ATOM 722 CA GLU A 48 16.083 -3.013 -10.517 1.00 64.41 C ATOM 723 C GLU A 48 15.010 -2.699 -9.479 1.00 23.44 C ATOM 724 O GLU A 48 14.191 -3.554 -9.139 1.00 4.52 O ATOM 725 CB GLU A 48 17.454 -3.096 -9.841 1.00 72.25 C ATOM 726 CG GLU A 48 18.220 -4.366 -10.173 1.00 10.15 C ATOM 727 CD GLU A 48 19.283 -4.692 -9.141 1.00 52.43 C ATOM 728 OE1 GLU A 48 19.911 -3.748 -8.618 1.00 21.14 O ATOM 729 OE2 GLU A 48 19.486 -5.891 -8.858 1.00 12.11 O ATOM 0 H GLU A 48 17.012 -1.586 -11.741 1.00 13.20 H new ATOM 0 HA GLU A 48 15.852 -3.976 -10.973 1.00 64.41 H new ATOM 0 HB2 GLU A 48 18.050 -2.234 -10.140 1.00 72.25 H new ATOM 0 HB3 GLU A 48 17.322 -3.033 -8.761 1.00 72.25 H new ATOM 0 HG2 GLU A 48 17.521 -5.199 -10.245 1.00 10.15 H new ATOM 0 HG3 GLU A 48 18.689 -4.258 -11.151 1.00 10.15 H new ATOM 736 N ASP A 49 15.022 -1.469 -8.978 1.00 50.12 N ATOM 737 CA ASP A 49 14.050 -1.041 -7.979 1.00 2.42 C ATOM 738 C ASP A 49 12.637 -1.445 -8.387 1.00 11.31 C ATOM 739 O ASP A 49 11.801 -1.762 -7.540 1.00 2.32 O ATOM 740 CB ASP A 49 14.124 0.474 -7.781 1.00 52.21 C ATOM 741 CG ASP A 49 15.306 0.890 -6.928 1.00 20.11 C ATOM 742 OD1 ASP A 49 15.734 0.085 -6.074 1.00 0.21 O ATOM 743 OD2 ASP A 49 15.804 2.020 -7.115 1.00 32.33 O ATOM 0 H ASP A 49 15.694 -0.751 -9.247 1.00 50.12 H new ATOM 0 HA ASP A 49 14.292 -1.535 -7.038 1.00 2.42 H new ATOM 0 HB2 ASP A 49 14.192 0.962 -8.754 1.00 52.21 H new ATOM 0 HB3 ASP A 49 13.203 0.822 -7.314 1.00 52.21 H new ATOM 748 N CYS A 50 12.376 -1.430 -9.690 1.00 31.23 N ATOM 749 CA CYS A 50 11.064 -1.793 -10.211 1.00 72.43 C ATOM 750 C CYS A 50 10.532 -3.046 -9.521 1.00 71.24 C ATOM 751 O CYS A 50 9.472 -3.021 -8.896 1.00 34.14 O ATOM 752 CB CYS A 50 11.138 -2.022 -11.722 1.00 60.42 C ATOM 753 SG CYS A 50 9.530 -1.914 -12.571 1.00 14.24 S ATOM 0 H CYS A 50 13.056 -1.170 -10.404 1.00 31.23 H new ATOM 0 HA CYS A 50 10.379 -0.969 -10.008 1.00 72.43 H new ATOM 0 HB2 CYS A 50 11.816 -1.288 -12.157 1.00 60.42 H new ATOM 0 HB3 CYS A 50 11.570 -3.005 -11.909 1.00 60.42 H new ATOM 758 N CYS A 51 11.275 -4.141 -9.640 1.00 25.01 N ATOM 759 CA CYS A 51 10.880 -5.404 -9.029 1.00 24.33 C ATOM 760 C CYS A 51 10.766 -5.263 -7.514 1.00 22.35 C ATOM 761 O CYS A 51 9.907 -5.882 -6.885 1.00 52.53 O ATOM 762 CB CYS A 51 11.890 -6.500 -9.375 1.00 71.43 C ATOM 763 SG CYS A 51 11.134 -8.111 -9.764 1.00 70.54 S ATOM 0 H CYS A 51 12.155 -4.179 -10.155 1.00 25.01 H new ATOM 0 HA CYS A 51 9.903 -5.681 -9.425 1.00 24.33 H new ATOM 0 HB2 CYS A 51 12.485 -6.175 -10.228 1.00 71.43 H new ATOM 0 HB3 CYS A 51 12.576 -6.625 -8.537 1.00 71.43 H new ATOM 768 N ARG A 52 11.639 -4.446 -6.934 1.00 13.54 N ATOM 769 CA ARG A 52 11.637 -4.224 -5.493 1.00 12.24 C ATOM 770 C ARG A 52 10.274 -3.726 -5.021 1.00 34.21 C ATOM 771 O ARG A 52 9.784 -4.135 -3.969 1.00 12.33 O ATOM 772 CB ARG A 52 12.721 -3.215 -5.109 1.00 53.40 C ATOM 773 CG ARG A 52 13.518 -3.616 -3.879 1.00 3.31 C ATOM 774 CD ARG A 52 14.265 -4.922 -4.100 1.00 75.14 C ATOM 775 NE ARG A 52 13.960 -5.908 -3.067 1.00 74.55 N ATOM 776 CZ ARG A 52 14.615 -7.056 -2.931 1.00 13.01 C ATOM 777 NH1 ARG A 52 15.606 -7.360 -3.757 1.00 42.41 N ATOM 778 NH2 ARG A 52 14.279 -7.902 -1.966 1.00 35.41 N ATOM 0 H ARG A 52 12.357 -3.927 -7.440 1.00 13.54 H new ATOM 0 HA ARG A 52 11.846 -5.176 -5.004 1.00 12.24 H new ATOM 0 HB2 ARG A 52 13.404 -3.091 -5.949 1.00 53.40 H new ATOM 0 HB3 ARG A 52 12.256 -2.246 -4.930 1.00 53.40 H new ATOM 0 HG2 ARG A 52 14.228 -2.827 -3.631 1.00 3.31 H new ATOM 0 HG3 ARG A 52 12.846 -3.720 -3.027 1.00 3.31 H new ATOM 0 HD2 ARG A 52 14.004 -5.328 -5.077 1.00 75.14 H new ATOM 0 HD3 ARG A 52 15.338 -4.729 -4.111 1.00 75.14 H new ATOM 0 HE ARG A 52 13.203 -5.704 -2.414 1.00 74.55 H new ATOM 0 HH11 ARG A 52 15.868 -6.712 -4.500 1.00 42.41 H new ATOM 0 HH12 ARG A 52 16.107 -8.242 -3.650 1.00 42.41 H new ATOM 0 HH21 ARG A 52 13.517 -7.671 -1.328 1.00 35.41 H new ATOM 0 HH22 ARG A 52 14.782 -8.783 -1.862 1.00 35.41 H new ATOM 792 N GLU A 53 9.668 -2.842 -5.807 1.00 53.30 N ATOM 793 CA GLU A 53 8.362 -2.288 -5.468 1.00 40.02 C ATOM 794 C GLU A 53 7.347 -3.400 -5.222 1.00 33.24 C ATOM 795 O GLU A 53 6.429 -3.251 -4.414 1.00 52.25 O ATOM 796 CB GLU A 53 7.867 -1.369 -6.587 1.00 71.33 C ATOM 797 CG GLU A 53 7.984 0.109 -6.257 1.00 51.35 C ATOM 798 CD GLU A 53 9.084 0.797 -7.042 1.00 62.23 C ATOM 799 OE1 GLU A 53 10.014 0.097 -7.496 1.00 40.34 O ATOM 800 OE2 GLU A 53 9.016 2.033 -7.202 1.00 40.23 O ATOM 0 H GLU A 53 10.060 -2.494 -6.682 1.00 53.30 H new ATOM 0 HA GLU A 53 8.469 -1.708 -4.552 1.00 40.02 H new ATOM 0 HB2 GLU A 53 8.435 -1.576 -7.494 1.00 71.33 H new ATOM 0 HB3 GLU A 53 6.825 -1.603 -6.803 1.00 71.33 H new ATOM 0 HG2 GLU A 53 7.033 0.600 -6.464 1.00 51.35 H new ATOM 0 HG3 GLU A 53 8.177 0.225 -5.190 1.00 51.35 H new ATOM 807 N CYS A 54 7.518 -4.516 -5.923 1.00 52.42 N ATOM 808 CA CYS A 54 6.617 -5.654 -5.783 1.00 5.41 C ATOM 809 C CYS A 54 7.324 -6.826 -5.109 1.00 31.32 C ATOM 810 O CYS A 54 6.700 -7.835 -4.782 1.00 31.21 O ATOM 811 CB CYS A 54 6.087 -6.083 -7.152 1.00 53.53 C ATOM 812 SG CYS A 54 4.294 -6.404 -7.187 1.00 60.43 S ATOM 0 H CYS A 54 8.273 -4.657 -6.594 1.00 52.42 H new ATOM 0 HA CYS A 54 5.779 -5.348 -5.157 1.00 5.41 H new ATOM 0 HB2 CYS A 54 6.321 -5.306 -7.880 1.00 53.53 H new ATOM 0 HB3 CYS A 54 6.613 -6.984 -7.467 1.00 53.53 H new ATOM 817 N ALA A 55 8.629 -6.685 -4.904 1.00 44.12 N ATOM 818 CA ALA A 55 9.420 -7.731 -4.267 1.00 45.54 C ATOM 819 C ALA A 55 9.043 -7.887 -2.798 1.00 52.23 C ATOM 820 O ALA A 55 9.445 -8.848 -2.144 1.00 63.31 O ATOM 821 CB ALA A 55 10.905 -7.426 -4.403 1.00 50.12 C ATOM 0 H ALA A 55 9.161 -5.856 -5.170 1.00 44.12 H new ATOM 0 HA ALA A 55 9.205 -8.673 -4.772 1.00 45.54 H new ATOM 0 HB1 ALA A 55 11.484 -8.215 -3.923 1.00 50.12 H new ATOM 0 HB2 ALA A 55 11.170 -7.372 -5.459 1.00 50.12 H new ATOM 0 HB3 ALA A 55 11.126 -6.472 -3.925 1.00 50.12 H new ATOM 827 N GLN A 56 8.269 -6.935 -2.287 1.00 35.33 N ATOM 828 CA GLN A 56 7.838 -6.968 -0.894 1.00 4.12 C ATOM 829 C GLN A 56 6.671 -7.931 -0.707 1.00 71.20 C ATOM 830 O GLN A 56 6.393 -8.378 0.405 1.00 3.32 O ATOM 831 CB GLN A 56 7.438 -5.567 -0.429 1.00 3.33 C ATOM 832 CG GLN A 56 8.429 -4.486 -0.830 1.00 63.24 C ATOM 833 CD GLN A 56 9.852 -4.820 -0.426 1.00 51.42 C ATOM 834 OE1 GLN A 56 10.089 -5.400 0.634 1.00 55.03 O ATOM 835 NE2 GLN A 56 10.809 -4.454 -1.271 1.00 52.30 N ATOM 0 H GLN A 56 7.928 -6.132 -2.816 1.00 35.33 H new ATOM 0 HA GLN A 56 8.675 -7.319 -0.290 1.00 4.12 H new ATOM 0 HB2 GLN A 56 6.459 -5.322 -0.842 1.00 3.33 H new ATOM 0 HB3 GLN A 56 7.335 -5.569 0.656 1.00 3.33 H new ATOM 0 HG2 GLN A 56 8.386 -4.342 -1.910 1.00 63.24 H new ATOM 0 HG3 GLN A 56 8.137 -3.542 -0.370 1.00 63.24 H new ATOM 0 HE21 GLN A 56 10.568 -3.975 -2.139 1.00 52.30 H new ATOM 0 HE22 GLN A 56 11.785 -4.652 -1.052 1.00 52.30 H new ATOM 844 N GLY A 57 5.989 -8.247 -1.804 1.00 64.51 N ATOM 845 CA GLY A 57 4.859 -9.156 -1.739 1.00 42.43 C ATOM 846 C GLY A 57 4.482 -9.709 -3.099 1.00 33.30 C ATOM 847 O GLY A 57 3.301 -9.786 -3.440 1.00 3.04 O ATOM 0 H GLY A 57 6.199 -7.890 -2.736 1.00 64.51 H new ATOM 0 HA2 GLY A 57 5.098 -9.981 -1.068 1.00 42.43 H new ATOM 0 HA3 GLY A 57 4.002 -8.636 -1.311 1.00 42.43 H new ATOM 851 N SER A 58 5.487 -10.095 -3.879 1.00 14.10 N ATOM 852 CA SER A 58 5.254 -10.639 -5.212 1.00 23.23 C ATOM 853 C SER A 58 6.568 -11.058 -5.864 1.00 23.52 C ATOM 854 O SER A 58 6.834 -12.247 -6.044 1.00 21.21 O ATOM 855 CB SER A 58 4.542 -9.608 -6.090 1.00 22.33 C ATOM 856 OG SER A 58 3.662 -10.238 -7.004 1.00 63.45 O ATOM 0 H SER A 58 6.470 -10.041 -3.611 1.00 14.10 H new ATOM 0 HA SER A 58 4.620 -11.520 -5.112 1.00 23.23 H new ATOM 0 HB2 SER A 58 3.983 -8.914 -5.462 1.00 22.33 H new ATOM 0 HB3 SER A 58 5.279 -9.020 -6.637 1.00 22.33 H new ATOM 0 HG SER A 58 3.103 -9.561 -7.440 1.00 63.45 H new ATOM 862 N CYS A 59 7.387 -10.073 -6.216 1.00 64.21 N ATOM 863 CA CYS A 59 8.674 -10.337 -6.849 1.00 20.12 C ATOM 864 C CYS A 59 9.684 -10.860 -5.831 1.00 74.11 C ATOM 865 O CYS A 59 9.317 -11.539 -4.872 1.00 23.50 O ATOM 866 CB CYS A 59 9.211 -9.066 -7.510 1.00 22.13 C ATOM 867 SG CYS A 59 10.920 -9.212 -8.123 1.00 62.42 S ATOM 0 H CYS A 59 7.182 -9.084 -6.074 1.00 64.21 H new ATOM 0 HA CYS A 59 8.525 -11.101 -7.612 1.00 20.12 H new ATOM 0 HB2 CYS A 59 8.559 -8.799 -8.342 1.00 22.13 H new ATOM 0 HB3 CYS A 59 9.163 -8.247 -6.792 1.00 22.13 H new