USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 793 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 76 GLN : amide:sc= 0 K(o=0.004,f=-0.69) USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0.00397 USER MOD Set 2.1: A 65 LYS NZ :NH3+ 177:sc= 1.57 (180deg=0.792) USER MOD Set 2.2: A 71 TYR OH : rot -15:sc= 0.337 USER MOD Set 3.1: A 64 TYR OH : rot 180:sc= -4.24! USER MOD Set 3.2: A 68 ASN : amide:sc= -0.112 K(o=-4.4,f=-6.1!) USER MOD Set 4.1: A 39 MET CE :methyl -144:sc= 0 (180deg=-0.311) USER MOD Set 4.2: A 44 GLN : amide:sc= -0.933 K(o=-0.93,f=-2.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.12) USER MOD Single : A 48 THR OG1 : rot 141:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc=-0.00366 (180deg=-0.174) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -80:sc= 0.304 USER MOD Single : A 74 THR OG1 : rot 107:sc= 0.277 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.0815 (180deg=-0.563) USER MOD Single : A 84 LYS NZ :NH3+ -137:sc= -0.559 (180deg=-2.56!) USER MOD Single : A 88 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.3) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.053) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= 0.259 K(o=0.26,f=-2.9!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -2.41! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= -0.0848 (180deg=-0.34) USER MOD Single : A 110 ASN :FLIP amide:sc= -1.27 F(o=-2.5!,f=-1.3) USER MOD Single : A 112 TYR OH : rot -145:sc= 1.23 USER MOD Single : A 113 GLN : amide:sc= -1.98! C(o=-2!,f=-7.6!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot -161:sc= 1.26 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 9:sc= 1.12 USER MOD Single : A 139 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 145 ASN :FLIP amide:sc= -1.69 F(o=-3.2,f=-1.7) USER MOD Single : A 148 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 39 2.443 5.239 -0.783 1.00 51.55 N ATOM 2 CA MET A 39 3.798 4.750 -1.081 1.00 53.41 C ATOM 3 C MET A 39 3.695 3.259 -1.368 1.00 71.14 C ATOM 4 O MET A 39 3.638 2.444 -0.451 1.00 61.13 O ATOM 5 CB MET A 39 4.738 5.009 0.118 1.00 64.21 C ATOM 6 CG MET A 39 6.202 5.109 -0.248 1.00 43.11 C ATOM 7 SD MET A 39 7.229 5.489 1.188 1.00 33.54 S ATOM 8 CE MET A 39 8.804 5.784 0.388 1.00 51.30 C ATOM 0 HA MET A 39 4.213 5.273 -1.942 1.00 53.41 H new ATOM 0 HB2 MET A 39 4.435 5.934 0.609 1.00 64.21 H new ATOM 0 HB3 MET A 39 4.611 4.206 0.844 1.00 64.21 H new ATOM 0 HG2 MET A 39 6.531 4.169 -0.691 1.00 43.11 H new ATOM 0 HG3 MET A 39 6.335 5.882 -1.005 1.00 43.11 H new ATOM 0 HE1 MET A 39 9.609 5.411 1.021 1.00 51.30 H new ATOM 0 HE2 MET A 39 8.828 5.267 -0.571 1.00 51.30 H new ATOM 0 HE3 MET A 39 8.935 6.854 0.226 1.00 51.30 H new ATOM 20 N SER A 40 3.623 2.904 -2.625 1.00 35.44 N ATOM 21 CA SER A 40 3.373 1.537 -3.005 1.00 44.21 C ATOM 22 C SER A 40 4.628 0.822 -3.522 1.00 71.43 C ATOM 23 O SER A 40 4.909 0.825 -4.720 1.00 61.12 O ATOM 24 CB SER A 40 2.255 1.503 -4.044 1.00 41.31 C ATOM 25 OG SER A 40 1.113 2.201 -3.560 1.00 41.44 O ATOM 0 H SER A 40 3.735 3.548 -3.408 1.00 35.44 H new ATOM 0 HA SER A 40 3.066 0.992 -2.112 1.00 44.21 H new ATOM 0 HB2 SER A 40 2.599 1.955 -4.974 1.00 41.31 H new ATOM 0 HB3 SER A 40 1.990 0.470 -4.270 1.00 41.31 H new ATOM 0 HG SER A 40 0.403 2.174 -4.235 1.00 41.44 H new ATOM 31 N ARG A 41 5.386 0.260 -2.599 1.00 20.42 N ATOM 32 CA ARG A 41 6.585 -0.541 -2.876 1.00 42.52 C ATOM 33 C ARG A 41 6.764 -1.496 -1.713 1.00 62.03 C ATOM 34 O ARG A 41 6.189 -1.247 -0.648 1.00 5.54 O ATOM 35 CB ARG A 41 7.863 0.329 -3.021 1.00 14.10 C ATOM 36 CG ARG A 41 7.955 1.165 -4.288 1.00 73.42 C ATOM 37 CD ARG A 41 7.984 0.293 -5.531 1.00 73.41 C ATOM 38 NE ARG A 41 8.026 1.091 -6.755 1.00 21.35 N ATOM 39 CZ ARG A 41 7.810 0.618 -7.986 1.00 2.22 C ATOM 40 NH1 ARG A 41 7.538 -0.672 -8.175 1.00 61.04 N ATOM 41 NH2 ARG A 41 7.865 1.432 -9.028 1.00 31.51 N ATOM 0 H ARG A 41 5.186 0.345 -1.602 1.00 20.42 H new ATOM 0 HA ARG A 41 6.448 -1.063 -3.823 1.00 42.52 H new ATOM 0 HB2 ARG A 41 7.924 0.997 -2.162 1.00 14.10 H new ATOM 0 HB3 ARG A 41 8.733 -0.327 -2.977 1.00 14.10 H new ATOM 0 HG2 ARG A 41 7.104 1.844 -4.339 1.00 73.42 H new ATOM 0 HG3 ARG A 41 8.853 1.781 -4.254 1.00 73.42 H new ATOM 0 HD2 ARG A 41 8.854 -0.362 -5.495 1.00 73.41 H new ATOM 0 HD3 ARG A 41 7.103 -0.348 -5.546 1.00 73.41 H new ATOM 0 HE ARG A 41 8.236 2.085 -6.662 1.00 21.35 H new ATOM 0 HH11 ARG A 41 7.493 -1.306 -7.377 1.00 61.04 H new ATOM 0 HH12 ARG A 41 7.374 -1.026 -9.118 1.00 61.04 H new ATOM 0 HH21 ARG A 41 8.072 2.421 -8.892 1.00 31.51 H new ATOM 0 HH22 ARG A 41 7.700 1.070 -9.967 1.00 31.51 H new ATOM 55 N PRO A 42 7.523 -2.610 -1.887 1.00 11.25 N ATOM 56 CA PRO A 42 7.798 -3.561 -0.800 1.00 65.13 C ATOM 57 C PRO A 42 8.323 -2.857 0.450 1.00 64.24 C ATOM 58 O PRO A 42 9.257 -2.039 0.376 1.00 74.34 O ATOM 59 CB PRO A 42 8.868 -4.477 -1.391 1.00 2.31 C ATOM 60 CG PRO A 42 8.591 -4.457 -2.850 1.00 23.04 C ATOM 61 CD PRO A 42 8.147 -3.054 -3.156 1.00 55.40 C ATOM 0 HA PRO A 42 6.902 -4.092 -0.478 1.00 65.13 H new ATOM 0 HB2 PRO A 42 9.871 -4.113 -1.170 1.00 2.31 H new ATOM 0 HB3 PRO A 42 8.798 -5.486 -0.985 1.00 2.31 H new ATOM 0 HG2 PRO A 42 9.481 -4.720 -3.422 1.00 23.04 H new ATOM 0 HG3 PRO A 42 7.818 -5.179 -3.113 1.00 23.04 H new ATOM 0 HD2 PRO A 42 8.987 -2.418 -3.435 1.00 55.40 H new ATOM 0 HD3 PRO A 42 7.438 -3.028 -3.984 1.00 55.40 H new ATOM 69 N ASP A 43 7.640 -3.111 1.561 1.00 34.22 N ATOM 70 CA ASP A 43 7.915 -2.571 2.917 1.00 24.44 C ATOM 71 C ASP A 43 7.464 -1.115 3.044 1.00 44.02 C ATOM 72 O ASP A 43 6.961 -0.688 4.077 1.00 21.32 O ATOM 73 CB ASP A 43 9.373 -2.736 3.351 1.00 42.00 C ATOM 74 CG ASP A 43 9.511 -2.805 4.857 1.00 3.11 C ATOM 75 OD1 ASP A 43 9.646 -1.776 5.502 1.00 2.44 O ATOM 76 OD2 ASP A 43 9.469 -3.947 5.421 1.00 24.44 O ATOM 0 H ASP A 43 6.831 -3.733 1.555 1.00 34.22 H new ATOM 0 HA ASP A 43 7.321 -3.175 3.603 1.00 24.44 H new ATOM 0 HB2 ASP A 43 9.783 -3.643 2.907 1.00 42.00 H new ATOM 0 HB3 ASP A 43 9.961 -1.901 2.971 1.00 42.00 H new ATOM 81 N GLN A 44 7.572 -0.367 1.959 1.00 2.53 N ATOM 82 CA GLN A 44 7.116 1.018 1.931 1.00 44.24 C ATOM 83 C GLN A 44 5.591 1.046 1.986 1.00 31.21 C ATOM 84 O GLN A 44 4.972 2.033 2.402 1.00 50.45 O ATOM 85 CB GLN A 44 7.637 1.746 0.701 1.00 14.50 C ATOM 86 CG GLN A 44 9.146 1.623 0.516 1.00 2.54 C ATOM 87 CD GLN A 44 9.685 2.526 -0.573 1.00 43.35 C ATOM 88 OE1 GLN A 44 8.984 2.870 -1.517 1.00 53.24 O ATOM 89 NE2 GLN A 44 10.938 2.873 -0.476 1.00 55.42 N ATOM 0 H GLN A 44 7.973 -0.695 1.080 1.00 2.53 H new ATOM 0 HA GLN A 44 7.513 1.541 2.801 1.00 44.24 H new ATOM 0 HB2 GLN A 44 7.137 1.352 -0.184 1.00 14.50 H new ATOM 0 HB3 GLN A 44 7.372 2.801 0.773 1.00 14.50 H new ATOM 0 HG2 GLN A 44 9.642 1.862 1.457 1.00 2.54 H new ATOM 0 HG3 GLN A 44 9.394 0.589 0.278 1.00 2.54 H new ATOM 0 HE21 GLN A 44 11.491 2.568 0.325 1.00 55.42 H new ATOM 0 HE22 GLN A 44 11.365 3.450 -1.201 1.00 55.42 H new ATOM 98 N ALA A 45 5.004 -0.080 1.619 1.00 72.02 N ATOM 99 CA ALA A 45 3.581 -0.305 1.708 1.00 42.15 C ATOM 100 C ALA A 45 3.151 -0.385 3.175 1.00 51.12 C ATOM 101 O ALA A 45 1.979 -0.238 3.504 1.00 4.44 O ATOM 102 CB ALA A 45 3.216 -1.586 0.992 1.00 11.32 C ATOM 0 H ALA A 45 5.519 -0.877 1.244 1.00 72.02 H new ATOM 0 HA ALA A 45 3.062 0.528 1.234 1.00 42.15 H new ATOM 0 HB1 ALA A 45 2.141 -1.749 1.063 1.00 11.32 H new ATOM 0 HB2 ALA A 45 3.503 -1.511 -0.057 1.00 11.32 H new ATOM 0 HB3 ALA A 45 3.741 -2.423 1.453 1.00 11.32 H new ATOM 108 N LYS A 46 4.111 -0.608 4.048 1.00 13.51 N ATOM 109 CA LYS A 46 3.849 -0.665 5.467 1.00 24.24 C ATOM 110 C LYS A 46 3.979 0.730 6.043 1.00 55.41 C ATOM 111 O LYS A 46 3.327 1.075 7.023 1.00 71.53 O ATOM 112 CB LYS A 46 4.888 -1.550 6.124 1.00 71.55 C ATOM 113 CG LYS A 46 4.964 -2.951 5.568 1.00 5.42 C ATOM 114 CD LYS A 46 6.156 -3.672 6.134 1.00 61.24 C ATOM 115 CE LYS A 46 6.288 -5.051 5.554 1.00 45.25 C ATOM 116 NZ LYS A 46 7.523 -5.704 6.008 1.00 12.35 N ATOM 0 H LYS A 46 5.088 -0.754 3.794 1.00 13.51 H new ATOM 0 HA LYS A 46 2.849 -1.060 5.644 1.00 24.24 H new ATOM 0 HB2 LYS A 46 5.865 -1.079 6.020 1.00 71.55 H new ATOM 0 HB3 LYS A 46 4.674 -1.608 7.191 1.00 71.55 H new ATOM 0 HG2 LYS A 46 4.052 -3.496 5.810 1.00 5.42 H new ATOM 0 HG3 LYS A 46 5.034 -2.915 4.481 1.00 5.42 H new ATOM 0 HD2 LYS A 46 7.061 -3.100 5.927 1.00 61.24 H new ATOM 0 HD3 LYS A 46 6.062 -3.739 7.218 1.00 61.24 H new ATOM 0 HE2 LYS A 46 5.427 -5.654 5.844 1.00 45.25 H new ATOM 0 HE3 LYS A 46 6.284 -4.992 4.466 1.00 45.25 H new ATOM 0 HZ1 LYS A 46 7.755 -6.491 5.369 1.00 12.35 H new ATOM 0 HZ2 LYS A 46 8.302 -5.014 6.005 1.00 12.35 H new ATOM 0 HZ3 LYS A 46 7.388 -6.070 6.972 1.00 12.35 H new ATOM 130 N VAL A 47 4.757 1.557 5.367 1.00 5.14 N ATOM 131 CA VAL A 47 4.986 2.929 5.804 1.00 43.23 C ATOM 132 C VAL A 47 3.748 3.732 5.511 1.00 73.23 C ATOM 133 O VAL A 47 3.241 4.472 6.354 1.00 5.13 O ATOM 134 CB VAL A 47 6.167 3.577 5.023 1.00 13.31 C ATOM 135 CG1 VAL A 47 6.479 4.977 5.530 1.00 53.42 C ATOM 136 CG2 VAL A 47 7.396 2.716 5.086 1.00 24.12 C ATOM 0 H VAL A 47 5.245 1.303 4.508 1.00 5.14 H new ATOM 0 HA VAL A 47 5.223 2.919 6.868 1.00 43.23 H new ATOM 0 HB VAL A 47 5.853 3.659 3.983 1.00 13.31 H new ATOM 0 HG11 VAL A 47 7.309 5.394 4.959 1.00 53.42 H new ATOM 0 HG12 VAL A 47 5.601 5.611 5.410 1.00 53.42 H new ATOM 0 HG13 VAL A 47 6.751 4.930 6.584 1.00 53.42 H new ATOM 0 HG21 VAL A 47 8.204 3.194 4.532 1.00 24.12 H new ATOM 0 HG22 VAL A 47 7.696 2.586 6.126 1.00 24.12 H new ATOM 0 HG23 VAL A 47 7.181 1.742 4.646 1.00 24.12 H new ATOM 146 N THR A 48 3.225 3.509 4.331 1.00 4.54 N ATOM 147 CA THR A 48 2.105 4.243 3.829 1.00 65.22 C ATOM 148 C THR A 48 0.819 3.962 4.646 1.00 54.53 C ATOM 149 O THR A 48 -0.030 4.843 4.790 1.00 73.25 O ATOM 150 CB THR A 48 1.919 3.967 2.302 1.00 53.11 C ATOM 151 OG1 THR A 48 0.989 4.871 1.712 1.00 53.53 O ATOM 152 CG2 THR A 48 1.465 2.549 2.036 1.00 23.22 C ATOM 0 H THR A 48 3.576 2.800 3.687 1.00 4.54 H new ATOM 0 HA THR A 48 2.308 5.307 3.950 1.00 65.22 H new ATOM 0 HB THR A 48 2.898 4.116 1.847 1.00 53.11 H new ATOM 0 HG1 THR A 48 1.307 5.133 0.823 1.00 53.53 H new ATOM 0 HG21 THR A 48 1.348 2.400 0.963 1.00 23.22 H new ATOM 0 HG22 THR A 48 2.208 1.851 2.421 1.00 23.22 H new ATOM 0 HG23 THR A 48 0.511 2.373 2.533 1.00 23.22 H new ATOM 160 N VAL A 49 0.701 2.761 5.222 1.00 71.10 N ATOM 161 CA VAL A 49 -0.480 2.445 6.014 1.00 23.23 C ATOM 162 C VAL A 49 -0.316 2.962 7.430 1.00 21.03 C ATOM 163 O VAL A 49 -1.275 3.418 8.055 1.00 31.33 O ATOM 164 CB VAL A 49 -0.828 0.917 6.041 1.00 20.44 C ATOM 165 CG1 VAL A 49 -0.980 0.364 4.641 1.00 32.14 C ATOM 166 CG2 VAL A 49 0.173 0.093 6.857 1.00 12.34 C ATOM 0 H VAL A 49 1.392 2.013 5.155 1.00 71.10 H new ATOM 0 HA VAL A 49 -1.316 2.945 5.525 1.00 23.23 H new ATOM 0 HB VAL A 49 -1.788 0.828 6.549 1.00 20.44 H new ATOM 0 HG11 VAL A 49 -1.221 -0.698 4.693 1.00 32.14 H new ATOM 0 HG12 VAL A 49 -1.782 0.893 4.126 1.00 32.14 H new ATOM 0 HG13 VAL A 49 -0.047 0.498 4.094 1.00 32.14 H new ATOM 0 HG21 VAL A 49 -0.120 -0.957 6.839 1.00 12.34 H new ATOM 0 HG22 VAL A 49 1.169 0.199 6.426 1.00 12.34 H new ATOM 0 HG23 VAL A 49 0.184 0.449 7.887 1.00 12.34 H new ATOM 176 N ALA A 50 0.912 2.936 7.911 1.00 32.12 N ATOM 177 CA ALA A 50 1.208 3.320 9.261 1.00 73.14 C ATOM 178 C ALA A 50 1.084 4.813 9.454 1.00 34.31 C ATOM 179 O ALA A 50 0.654 5.268 10.500 1.00 42.54 O ATOM 180 CB ALA A 50 2.579 2.835 9.659 1.00 14.41 C ATOM 0 H ALA A 50 1.727 2.647 7.370 1.00 32.12 H new ATOM 0 HA ALA A 50 0.472 2.847 9.912 1.00 73.14 H new ATOM 0 HB1 ALA A 50 2.787 3.135 10.686 1.00 14.41 H new ATOM 0 HB2 ALA A 50 2.617 1.748 9.584 1.00 14.41 H new ATOM 0 HB3 ALA A 50 3.326 3.271 8.995 1.00 14.41 H new ATOM 186 N LYS A 51 1.426 5.589 8.433 1.00 32.10 N ATOM 187 CA LYS A 51 1.331 7.024 8.560 1.00 10.51 C ATOM 188 C LYS A 51 -0.129 7.502 8.603 1.00 10.51 C ATOM 189 O LYS A 51 -0.451 8.512 9.228 1.00 23.42 O ATOM 190 CB LYS A 51 2.136 7.724 7.476 1.00 71.23 C ATOM 191 CG LYS A 51 3.617 7.394 7.568 1.00 63.23 C ATOM 192 CD LYS A 51 4.446 8.062 6.491 1.00 23.43 C ATOM 193 CE LYS A 51 4.430 9.577 6.611 1.00 73.12 C ATOM 194 NZ LYS A 51 5.419 10.209 5.716 1.00 23.52 N ATOM 0 H LYS A 51 1.763 5.252 7.531 1.00 32.10 H new ATOM 0 HA LYS A 51 1.771 7.300 9.518 1.00 10.51 H new ATOM 0 HB2 LYS A 51 1.759 7.430 6.497 1.00 71.23 H new ATOM 0 HB3 LYS A 51 1.998 8.802 7.560 1.00 71.23 H new ATOM 0 HG2 LYS A 51 3.990 7.699 8.546 1.00 63.23 H new ATOM 0 HG3 LYS A 51 3.747 6.314 7.500 1.00 63.23 H new ATOM 0 HD2 LYS A 51 5.474 7.705 6.553 1.00 23.43 H new ATOM 0 HD3 LYS A 51 4.066 7.773 5.511 1.00 23.43 H new ATOM 0 HE2 LYS A 51 3.434 9.950 6.373 1.00 73.12 H new ATOM 0 HE3 LYS A 51 4.639 9.862 7.642 1.00 73.12 H new ATOM 0 HZ1 LYS A 51 5.377 11.242 5.827 1.00 23.52 H new ATOM 0 HZ2 LYS A 51 6.372 9.873 5.960 1.00 23.52 H new ATOM 0 HZ3 LYS A 51 5.205 9.958 4.730 1.00 23.52 H new ATOM 208 N GLY A 52 -1.017 6.727 8.029 1.00 11.41 N ATOM 209 CA GLY A 52 -2.419 7.067 8.112 1.00 52.43 C ATOM 210 C GLY A 52 -2.981 6.572 9.424 1.00 21.24 C ATOM 211 O GLY A 52 -3.909 7.164 10.008 1.00 53.34 O ATOM 0 H GLY A 52 -0.803 5.875 7.510 1.00 11.41 H new ATOM 0 HA2 GLY A 52 -2.548 8.147 8.033 1.00 52.43 H new ATOM 0 HA3 GLY A 52 -2.962 6.620 7.280 1.00 52.43 H new ATOM 215 N ASP A 53 -2.343 5.542 9.930 1.00 54.13 N ATOM 216 CA ASP A 53 -2.764 4.871 11.132 1.00 15.21 C ATOM 217 C ASP A 53 -2.360 5.701 12.342 1.00 44.04 C ATOM 218 O ASP A 53 -3.116 5.840 13.284 1.00 43.34 O ATOM 219 CB ASP A 53 -2.158 3.472 11.178 1.00 13.12 C ATOM 220 CG ASP A 53 -2.806 2.572 12.190 1.00 45.33 C ATOM 221 OD1 ASP A 53 -3.993 2.222 12.006 1.00 25.10 O ATOM 222 OD2 ASP A 53 -2.146 2.161 13.147 1.00 61.34 O ATOM 0 H ASP A 53 -1.504 5.143 9.509 1.00 54.13 H new ATOM 0 HA ASP A 53 -3.849 4.764 11.143 1.00 15.21 H new ATOM 0 HB2 ASP A 53 -2.241 3.016 10.192 1.00 13.12 H new ATOM 0 HB3 ASP A 53 -1.095 3.552 11.403 1.00 13.12 H new ATOM 227 N ILE A 54 -1.180 6.312 12.284 1.00 5.53 N ATOM 228 CA ILE A 54 -0.743 7.226 13.345 1.00 62.34 C ATOM 229 C ILE A 54 -1.628 8.469 13.389 1.00 11.10 C ATOM 230 O ILE A 54 -1.839 9.045 14.459 1.00 64.53 O ATOM 231 CB ILE A 54 0.743 7.658 13.236 1.00 61.52 C ATOM 232 CG1 ILE A 54 1.014 8.283 11.874 1.00 73.43 C ATOM 233 CG2 ILE A 54 1.678 6.499 13.522 1.00 21.13 C ATOM 234 CD1 ILE A 54 2.435 8.708 11.625 1.00 73.52 C ATOM 0 H ILE A 54 -0.512 6.195 11.522 1.00 5.53 H new ATOM 0 HA ILE A 54 -0.840 6.658 14.270 1.00 62.34 H new ATOM 0 HB ILE A 54 0.938 8.414 13.996 1.00 61.52 H new ATOM 0 HG12 ILE A 54 0.727 7.568 11.103 1.00 73.43 H new ATOM 0 HG13 ILE A 54 0.368 9.153 11.759 1.00 73.43 H new ATOM 0 HG21 ILE A 54 2.711 6.836 13.437 1.00 21.13 H new ATOM 0 HG22 ILE A 54 1.499 6.128 14.531 1.00 21.13 H new ATOM 0 HG23 ILE A 54 1.497 5.700 12.804 1.00 21.13 H new ATOM 0 HD11 ILE A 54 2.516 9.139 10.627 1.00 73.52 H new ATOM 0 HD12 ILE A 54 2.728 9.451 12.367 1.00 73.52 H new ATOM 0 HD13 ILE A 54 3.092 7.842 11.700 1.00 73.52 H new ATOM 246 N LYS A 55 -2.167 8.873 12.230 1.00 52.51 N ATOM 247 CA LYS A 55 -3.093 10.011 12.194 1.00 61.03 C ATOM 248 C LYS A 55 -4.418 9.631 12.828 1.00 61.22 C ATOM 249 O LYS A 55 -5.128 10.476 13.363 1.00 52.23 O ATOM 250 CB LYS A 55 -3.293 10.560 10.771 1.00 44.21 C ATOM 251 CG LYS A 55 -2.285 11.644 10.352 1.00 2.40 C ATOM 252 CD LYS A 55 -0.849 11.198 10.546 1.00 72.11 C ATOM 253 CE LYS A 55 0.153 12.240 10.099 1.00 11.43 C ATOM 254 NZ LYS A 55 0.049 12.529 8.657 1.00 72.13 N ATOM 0 H LYS A 55 -1.983 8.440 11.325 1.00 52.51 H new ATOM 0 HA LYS A 55 -2.645 10.817 12.775 1.00 61.03 H new ATOM 0 HB2 LYS A 55 -3.230 9.732 10.065 1.00 44.21 H new ATOM 0 HB3 LYS A 55 -4.300 10.970 10.693 1.00 44.21 H new ATOM 0 HG2 LYS A 55 -2.445 11.901 9.305 1.00 2.40 H new ATOM 0 HG3 LYS A 55 -2.464 12.548 10.933 1.00 2.40 H new ATOM 0 HD2 LYS A 55 -0.683 10.969 11.599 1.00 72.11 H new ATOM 0 HD3 LYS A 55 -0.681 10.276 9.989 1.00 72.11 H new ATOM 0 HE2 LYS A 55 -0.004 13.159 10.664 1.00 11.43 H new ATOM 0 HE3 LYS A 55 1.161 11.894 10.327 1.00 11.43 H new ATOM 0 HZ1 LYS A 55 0.865 13.101 8.358 1.00 72.13 H new ATOM 0 HZ2 LYS A 55 0.038 11.636 8.124 1.00 72.13 H new ATOM 0 HZ3 LYS A 55 -0.829 13.054 8.471 1.00 72.13 H new ATOM 268 N ALA A 56 -4.729 8.355 12.771 1.00 13.32 N ATOM 269 CA ALA A 56 -5.908 7.803 13.406 1.00 60.42 C ATOM 270 C ALA A 56 -5.751 7.826 14.915 1.00 22.44 C ATOM 271 O ALA A 56 -6.642 8.276 15.649 1.00 44.24 O ATOM 272 CB ALA A 56 -6.088 6.383 12.962 1.00 3.44 C ATOM 0 H ALA A 56 -4.165 7.663 12.277 1.00 13.32 H new ATOM 0 HA ALA A 56 -6.774 8.402 13.124 1.00 60.42 H new ATOM 0 HB1 ALA A 56 -6.974 5.963 13.437 1.00 3.44 H new ATOM 0 HB2 ALA A 56 -6.208 6.353 11.879 1.00 3.44 H new ATOM 0 HB3 ALA A 56 -5.213 5.799 13.246 1.00 3.44 H new ATOM 278 N ILE A 57 -4.606 7.336 15.371 1.00 54.12 N ATOM 279 CA ILE A 57 -4.288 7.274 16.795 1.00 1.34 C ATOM 280 C ILE A 57 -4.280 8.685 17.362 1.00 43.12 C ATOM 281 O ILE A 57 -4.825 8.934 18.406 1.00 73.01 O ATOM 282 CB ILE A 57 -2.896 6.674 17.042 1.00 42.40 C ATOM 283 CG1 ILE A 57 -2.698 5.386 16.264 1.00 52.13 C ATOM 284 CG2 ILE A 57 -2.692 6.418 18.540 1.00 15.20 C ATOM 285 CD1 ILE A 57 -1.280 4.859 16.300 1.00 13.22 C ATOM 0 H ILE A 57 -3.871 6.970 14.766 1.00 54.12 H new ATOM 0 HA ILE A 57 -5.040 6.646 17.273 1.00 1.34 H new ATOM 0 HB ILE A 57 -2.156 7.394 16.692 1.00 42.40 H new ATOM 0 HG12 ILE A 57 -3.368 4.625 16.664 1.00 52.13 H new ATOM 0 HG13 ILE A 57 -2.987 5.552 15.226 1.00 52.13 H new ATOM 0 HG21 ILE A 57 -1.702 5.993 18.705 1.00 15.20 H new ATOM 0 HG22 ILE A 57 -2.778 7.358 19.085 1.00 15.20 H new ATOM 0 HG23 ILE A 57 -3.450 5.721 18.897 1.00 15.20 H new ATOM 0 HD11 ILE A 57 -1.220 3.937 15.722 1.00 13.22 H new ATOM 0 HD12 ILE A 57 -0.605 5.601 15.872 1.00 13.22 H new ATOM 0 HD13 ILE A 57 -0.992 4.659 17.332 1.00 13.22 H new ATOM 297 N ALA A 58 -3.692 9.611 16.615 1.00 50.32 N ATOM 298 CA ALA A 58 -3.604 11.008 17.028 1.00 13.42 C ATOM 299 C ALA A 58 -4.984 11.629 17.232 1.00 32.23 C ATOM 300 O ALA A 58 -5.159 12.496 18.075 1.00 61.12 O ATOM 301 CB ALA A 58 -2.806 11.809 16.020 1.00 40.13 C ATOM 0 H ALA A 58 -3.264 9.417 15.710 1.00 50.32 H new ATOM 0 HA ALA A 58 -3.089 11.034 17.988 1.00 13.42 H new ATOM 0 HB1 ALA A 58 -2.750 12.848 16.343 1.00 40.13 H new ATOM 0 HB2 ALA A 58 -1.799 11.398 15.944 1.00 40.13 H new ATOM 0 HB3 ALA A 58 -3.294 11.758 15.046 1.00 40.13 H new ATOM 307 N ALA A 59 -5.968 11.133 16.503 1.00 62.52 N ATOM 308 CA ALA A 59 -7.320 11.643 16.597 1.00 43.31 C ATOM 309 C ALA A 59 -8.020 11.014 17.788 1.00 63.31 C ATOM 310 O ALA A 59 -8.972 11.565 18.339 1.00 2.33 O ATOM 311 CB ALA A 59 -8.081 11.367 15.316 1.00 73.14 C ATOM 0 H ALA A 59 -5.852 10.371 15.835 1.00 62.52 H new ATOM 0 HA ALA A 59 -7.286 12.723 16.740 1.00 43.31 H new ATOM 0 HB1 ALA A 59 -9.095 11.757 15.404 1.00 73.14 H new ATOM 0 HB2 ALA A 59 -7.576 11.853 14.481 1.00 73.14 H new ATOM 0 HB3 ALA A 59 -8.120 10.292 15.140 1.00 73.14 H new ATOM 317 N ALA A 60 -7.546 9.853 18.179 1.00 21.15 N ATOM 318 CA ALA A 60 -8.045 9.189 19.357 1.00 4.40 C ATOM 319 C ALA A 60 -7.332 9.759 20.581 1.00 51.55 C ATOM 320 O ALA A 60 -7.875 9.803 21.675 1.00 14.51 O ATOM 321 CB ALA A 60 -7.862 7.689 19.242 1.00 12.32 C ATOM 0 H ALA A 60 -6.808 9.346 17.691 1.00 21.15 H new ATOM 0 HA ALA A 60 -9.115 9.368 19.462 1.00 4.40 H new ATOM 0 HB1 ALA A 60 -8.245 7.206 20.141 1.00 12.32 H new ATOM 0 HB2 ALA A 60 -8.407 7.322 18.372 1.00 12.32 H new ATOM 0 HB3 ALA A 60 -6.802 7.459 19.130 1.00 12.32 H new ATOM 327 N LEU A 61 -6.128 10.245 20.369 1.00 15.03 N ATOM 328 CA LEU A 61 -5.360 10.915 21.392 1.00 22.24 C ATOM 329 C LEU A 61 -6.065 12.252 21.689 1.00 60.50 C ATOM 330 O LEU A 61 -6.100 12.712 22.831 1.00 20.24 O ATOM 331 CB LEU A 61 -3.913 11.090 20.863 1.00 73.53 C ATOM 332 CG LEU A 61 -2.766 11.303 21.873 1.00 34.05 C ATOM 333 CD1 LEU A 61 -2.818 12.654 22.511 1.00 40.43 C ATOM 334 CD2 LEU A 61 -2.780 10.231 22.944 1.00 64.52 C ATOM 0 H LEU A 61 -5.651 10.184 19.470 1.00 15.03 H new ATOM 0 HA LEU A 61 -5.299 10.353 22.324 1.00 22.24 H new ATOM 0 HB2 LEU A 61 -3.670 10.207 20.271 1.00 73.53 H new ATOM 0 HB3 LEU A 61 -3.913 11.941 20.181 1.00 73.53 H new ATOM 0 HG LEU A 61 -1.837 11.234 21.308 1.00 34.05 H new ATOM 0 HD11 LEU A 61 -1.991 12.757 23.214 1.00 40.43 H new ATOM 0 HD12 LEU A 61 -2.739 13.423 21.742 1.00 40.43 H new ATOM 0 HD13 LEU A 61 -3.762 12.769 23.043 1.00 40.43 H new ATOM 0 HD21 LEU A 61 -1.962 10.404 23.643 1.00 64.52 H new ATOM 0 HD22 LEU A 61 -3.728 10.265 23.480 1.00 64.52 H new ATOM 0 HD23 LEU A 61 -2.660 9.252 22.480 1.00 64.52 H new ATOM 346 N ASP A 62 -6.713 12.817 20.655 1.00 72.30 N ATOM 347 CA ASP A 62 -7.593 13.990 20.827 1.00 31.13 C ATOM 348 C ASP A 62 -8.838 13.596 21.598 1.00 41.00 C ATOM 349 O ASP A 62 -9.467 14.416 22.238 1.00 41.31 O ATOM 350 CB ASP A 62 -8.018 14.644 19.494 1.00 50.34 C ATOM 351 CG ASP A 62 -7.060 15.698 18.975 1.00 64.41 C ATOM 352 OD1 ASP A 62 -6.150 15.371 18.207 1.00 25.32 O ATOM 353 OD2 ASP A 62 -7.248 16.915 19.280 1.00 51.32 O ATOM 0 H ASP A 62 -6.645 12.483 19.694 1.00 72.30 H new ATOM 0 HA ASP A 62 -7.009 14.727 21.378 1.00 31.13 H new ATOM 0 HB2 ASP A 62 -8.124 13.865 18.739 1.00 50.34 H new ATOM 0 HB3 ASP A 62 -9.001 15.097 19.624 1.00 50.34 H new ATOM 358 N MET A 63 -9.184 12.331 21.548 1.00 11.31 N ATOM 359 CA MET A 63 -10.323 11.843 22.293 1.00 32.22 C ATOM 360 C MET A 63 -9.987 11.655 23.738 1.00 22.40 C ATOM 361 O MET A 63 -10.816 11.901 24.577 1.00 71.12 O ATOM 362 CB MET A 63 -10.945 10.586 21.702 1.00 71.12 C ATOM 363 CG MET A 63 -11.818 10.849 20.506 1.00 12.24 C ATOM 364 SD MET A 63 -13.254 11.851 20.930 1.00 31.13 S ATOM 365 CE MET A 63 -14.055 11.954 19.337 1.00 13.11 C ATOM 0 H MET A 63 -8.695 11.622 21.001 1.00 11.31 H new ATOM 0 HA MET A 63 -11.085 12.618 22.214 1.00 32.22 H new ATOM 0 HB2 MET A 63 -10.150 9.898 21.416 1.00 71.12 H new ATOM 0 HB3 MET A 63 -11.537 10.088 22.470 1.00 71.12 H new ATOM 0 HG2 MET A 63 -11.236 11.356 19.736 1.00 12.24 H new ATOM 0 HG3 MET A 63 -12.149 9.901 20.083 1.00 12.24 H new ATOM 0 HE1 MET A 63 -14.967 12.545 19.426 1.00 13.11 H new ATOM 0 HE2 MET A 63 -13.383 12.428 18.622 1.00 13.11 H new ATOM 0 HE3 MET A 63 -14.305 10.951 18.990 1.00 13.11 H new ATOM 375 N TYR A 64 -8.759 11.244 24.045 1.00 32.53 N ATOM 376 CA TYR A 64 -8.351 11.160 25.439 1.00 21.13 C ATOM 377 C TYR A 64 -8.231 12.583 25.969 1.00 22.13 C ATOM 378 O TYR A 64 -8.570 12.874 27.105 1.00 72.01 O ATOM 379 CB TYR A 64 -7.021 10.446 25.615 1.00 13.31 C ATOM 380 CG TYR A 64 -6.717 10.226 27.077 1.00 43.12 C ATOM 381 CD1 TYR A 64 -7.168 9.103 27.725 1.00 50.32 C ATOM 382 CD2 TYR A 64 -6.010 11.156 27.818 1.00 11.00 C ATOM 383 CE1 TYR A 64 -6.923 8.907 29.030 1.00 13.23 C ATOM 384 CE2 TYR A 64 -5.770 10.968 29.129 1.00 53.24 C ATOM 385 CZ TYR A 64 -6.222 9.842 29.732 1.00 22.33 C ATOM 386 OH TYR A 64 -6.008 9.682 31.039 1.00 3.51 O ATOM 0 H TYR A 64 -8.048 10.971 23.366 1.00 32.53 H new ATOM 0 HA TYR A 64 -9.096 10.582 25.986 1.00 21.13 H new ATOM 0 HB2 TYR A 64 -7.047 9.488 25.097 1.00 13.31 H new ATOM 0 HB3 TYR A 64 -6.225 11.034 25.158 1.00 13.31 H new ATOM 0 HD1 TYR A 64 -7.730 8.363 27.174 1.00 50.32 H new ATOM 0 HD2 TYR A 64 -5.644 12.050 27.335 1.00 11.00 H new ATOM 0 HE1 TYR A 64 -7.279 8.014 29.521 1.00 13.23 H new ATOM 0 HE2 TYR A 64 -5.223 11.707 29.695 1.00 53.24 H new ATOM 0 HH TYR A 64 -5.491 10.441 31.381 1.00 3.51 H new ATOM 396 N LYS A 65 -7.758 13.463 25.100 1.00 52.03 N ATOM 397 CA LYS A 65 -7.698 14.893 25.342 1.00 34.34 C ATOM 398 C LYS A 65 -9.076 15.428 25.731 1.00 14.04 C ATOM 399 O LYS A 65 -9.199 16.314 26.552 1.00 10.13 O ATOM 400 CB LYS A 65 -7.234 15.518 24.055 1.00 1.21 C ATOM 401 CG LYS A 65 -7.314 17.013 23.922 1.00 15.43 C ATOM 402 CD LYS A 65 -6.852 17.357 22.534 1.00 72.41 C ATOM 403 CE LYS A 65 -6.813 18.826 22.233 1.00 54.14 C ATOM 404 NZ LYS A 65 -6.257 19.033 20.880 1.00 34.23 N ATOM 0 H LYS A 65 -7.397 13.194 24.185 1.00 52.03 H new ATOM 0 HA LYS A 65 -7.020 15.128 26.163 1.00 34.34 H new ATOM 0 HB2 LYS A 65 -6.196 15.225 23.898 1.00 1.21 H new ATOM 0 HB3 LYS A 65 -7.815 15.080 23.244 1.00 1.21 H new ATOM 0 HG2 LYS A 65 -8.334 17.361 24.086 1.00 15.43 H new ATOM 0 HG3 LYS A 65 -6.687 17.501 24.669 1.00 15.43 H new ATOM 0 HD2 LYS A 65 -5.855 16.943 22.384 1.00 72.41 H new ATOM 0 HD3 LYS A 65 -7.511 16.870 21.815 1.00 72.41 H new ATOM 0 HE2 LYS A 65 -7.816 19.248 22.295 1.00 54.14 H new ATOM 0 HE3 LYS A 65 -6.203 19.344 22.973 1.00 54.14 H new ATOM 0 HZ1 LYS A 65 -6.276 20.047 20.648 1.00 34.23 H new ATOM 0 HZ2 LYS A 65 -5.276 18.689 20.852 1.00 34.23 H new ATOM 0 HZ3 LYS A 65 -6.828 18.509 20.186 1.00 34.23 H new ATOM 418 N LEU A 66 -10.094 14.869 25.148 1.00 2.22 N ATOM 419 CA LEU A 66 -11.441 15.243 25.463 1.00 22.53 C ATOM 420 C LEU A 66 -11.977 14.443 26.655 1.00 10.30 C ATOM 421 O LEU A 66 -12.810 14.941 27.409 1.00 45.42 O ATOM 422 CB LEU A 66 -12.340 15.053 24.252 1.00 54.02 C ATOM 423 CG LEU A 66 -12.062 15.936 23.039 1.00 21.21 C ATOM 424 CD1 LEU A 66 -12.973 15.556 21.886 1.00 14.33 C ATOM 425 CD2 LEU A 66 -12.240 17.402 23.391 1.00 73.33 C ATOM 0 H LEU A 66 -10.014 14.140 24.439 1.00 2.22 H new ATOM 0 HA LEU A 66 -11.440 16.297 25.740 1.00 22.53 H new ATOM 0 HB2 LEU A 66 -12.269 14.012 23.937 1.00 54.02 H new ATOM 0 HB3 LEU A 66 -13.370 15.222 24.565 1.00 54.02 H new ATOM 0 HG LEU A 66 -11.028 15.779 22.732 1.00 21.21 H new ATOM 0 HD11 LEU A 66 -12.761 16.196 21.029 1.00 14.33 H new ATOM 0 HD12 LEU A 66 -12.800 14.515 21.613 1.00 14.33 H new ATOM 0 HD13 LEU A 66 -14.013 15.684 22.186 1.00 14.33 H new ATOM 0 HD21 LEU A 66 -12.037 18.014 22.512 1.00 73.33 H new ATOM 0 HD22 LEU A 66 -13.263 17.574 23.725 1.00 73.33 H new ATOM 0 HD23 LEU A 66 -11.548 17.671 24.189 1.00 73.33 H new ATOM 437 N ASP A 67 -11.487 13.225 26.840 1.00 22.23 N ATOM 438 CA ASP A 67 -11.961 12.352 27.926 1.00 71.41 C ATOM 439 C ASP A 67 -11.351 12.749 29.264 1.00 45.41 C ATOM 440 O ASP A 67 -11.959 12.584 30.287 1.00 62.41 O ATOM 441 CB ASP A 67 -11.573 10.891 27.584 1.00 35.51 C ATOM 442 CG ASP A 67 -11.842 9.870 28.681 1.00 32.23 C ATOM 443 OD1 ASP A 67 -12.999 9.472 28.861 1.00 44.42 O ATOM 444 OD2 ASP A 67 -10.879 9.411 29.330 1.00 72.25 O ATOM 0 H ASP A 67 -10.760 12.811 26.256 1.00 22.23 H new ATOM 0 HA ASP A 67 -13.043 12.451 28.015 1.00 71.41 H new ATOM 0 HB2 ASP A 67 -12.116 10.589 26.689 1.00 35.51 H new ATOM 0 HB3 ASP A 67 -10.512 10.863 27.337 1.00 35.51 H new ATOM 449 N ASN A 68 -10.213 13.389 29.238 1.00 32.34 N ATOM 450 CA ASN A 68 -9.569 13.825 30.466 1.00 64.23 C ATOM 451 C ASN A 68 -9.229 15.250 30.353 1.00 22.35 C ATOM 452 O ASN A 68 -8.298 15.712 31.012 1.00 51.44 O ATOM 453 CB ASN A 68 -8.316 13.087 30.656 1.00 74.40 C ATOM 454 CG ASN A 68 -7.974 12.771 32.096 1.00 12.42 C ATOM 455 OD1 ASN A 68 -8.834 12.674 32.971 1.00 34.21 O ATOM 456 ND2 ASN A 68 -6.711 12.584 32.342 1.00 3.35 N ATOM 0 H ASN A 68 -9.706 13.624 28.385 1.00 32.34 H new ATOM 0 HA ASN A 68 -10.247 13.649 31.301 1.00 64.23 H new ATOM 0 HB2 ASN A 68 -8.374 12.152 30.098 1.00 74.40 H new ATOM 0 HB3 ASN A 68 -7.501 13.667 30.223 1.00 74.40 H new ATOM 0 HD21 ASN A 68 -6.405 12.348 33.286 1.00 3.35 H new ATOM 0 HD22 ASN A 68 -6.027 12.673 31.591 1.00 3.35 H new ATOM 463 N PHE A 69 -9.972 15.947 29.483 1.00 70.42 N ATOM 464 CA PHE A 69 -9.915 17.428 29.260 1.00 31.52 C ATOM 465 C PHE A 69 -8.501 18.014 29.206 1.00 52.20 C ATOM 466 O PHE A 69 -8.312 19.217 29.450 1.00 4.00 O ATOM 467 CB PHE A 69 -10.740 18.130 30.356 1.00 70.31 C ATOM 468 CG PHE A 69 -10.439 17.647 31.760 1.00 11.24 C ATOM 469 CD1 PHE A 69 -9.331 18.062 32.433 1.00 60.13 C ATOM 470 CD2 PHE A 69 -11.274 16.774 32.368 1.00 24.11 C ATOM 471 CE1 PHE A 69 -9.060 17.621 33.700 1.00 23.14 C ATOM 472 CE2 PHE A 69 -11.039 16.325 33.628 1.00 24.41 C ATOM 473 CZ PHE A 69 -9.925 16.752 34.313 1.00 2.02 C ATOM 0 H PHE A 69 -10.661 15.492 28.884 1.00 70.42 H new ATOM 0 HA PHE A 69 -10.335 17.608 28.270 1.00 31.52 H new ATOM 0 HB2 PHE A 69 -10.554 19.203 30.305 1.00 70.31 H new ATOM 0 HB3 PHE A 69 -11.800 17.980 30.151 1.00 70.31 H new ATOM 0 HD1 PHE A 69 -8.652 18.754 31.957 1.00 60.13 H new ATOM 0 HD2 PHE A 69 -12.149 16.426 31.839 1.00 24.11 H new ATOM 0 HE1 PHE A 69 -8.171 17.955 34.213 1.00 23.14 H new ATOM 0 HE2 PHE A 69 -11.726 15.633 34.092 1.00 24.41 H new ATOM 0 HZ PHE A 69 -9.735 16.408 35.319 1.00 2.02 H new ATOM 483 N ALA A 70 -7.573 17.230 28.729 1.00 73.53 N ATOM 484 CA ALA A 70 -6.179 17.557 28.741 1.00 21.54 C ATOM 485 C ALA A 70 -5.438 16.397 28.173 1.00 10.43 C ATOM 486 O ALA A 70 -6.000 15.295 28.073 1.00 50.21 O ATOM 487 CB ALA A 70 -5.716 17.787 30.169 1.00 31.21 C ATOM 0 H ALA A 70 -7.774 16.322 28.310 1.00 73.53 H new ATOM 0 HA ALA A 70 -5.998 18.461 28.160 1.00 21.54 H new ATOM 0 HB1 ALA A 70 -4.655 18.035 30.172 1.00 31.21 H new ATOM 0 HB2 ALA A 70 -6.282 18.609 30.607 1.00 31.21 H new ATOM 0 HB3 ALA A 70 -5.878 16.882 30.754 1.00 31.21 H new ATOM 493 N TYR A 71 -4.225 16.613 27.771 1.00 52.54 N ATOM 494 CA TYR A 71 -3.404 15.526 27.347 1.00 41.42 C ATOM 495 C TYR A 71 -2.889 14.754 28.551 1.00 23.11 C ATOM 496 O TYR A 71 -2.791 15.308 29.662 1.00 53.22 O ATOM 497 CB TYR A 71 -2.247 15.988 26.458 1.00 63.12 C ATOM 498 CG TYR A 71 -2.683 16.360 25.076 1.00 34.11 C ATOM 499 CD1 TYR A 71 -3.425 15.469 24.315 1.00 11.22 C ATOM 500 CD2 TYR A 71 -2.367 17.585 24.532 1.00 14.20 C ATOM 501 CE1 TYR A 71 -3.838 15.785 23.055 1.00 45.54 C ATOM 502 CE2 TYR A 71 -2.771 17.922 23.261 1.00 20.03 C ATOM 503 CZ TYR A 71 -3.506 17.023 22.523 1.00 61.55 C ATOM 504 OH TYR A 71 -3.914 17.365 21.252 1.00 44.55 O ATOM 0 H TYR A 71 -3.783 17.531 27.728 1.00 52.54 H new ATOM 0 HA TYR A 71 -4.023 14.864 26.741 1.00 41.42 H new ATOM 0 HB2 TYR A 71 -1.760 16.845 26.922 1.00 63.12 H new ATOM 0 HB3 TYR A 71 -1.504 15.193 26.397 1.00 63.12 H new ATOM 0 HD1 TYR A 71 -3.681 14.505 24.729 1.00 11.22 H new ATOM 0 HD2 TYR A 71 -1.793 18.292 25.112 1.00 14.20 H new ATOM 0 HE1 TYR A 71 -4.417 15.080 22.477 1.00 45.54 H new ATOM 0 HE2 TYR A 71 -2.513 18.885 22.846 1.00 20.03 H new ATOM 0 HH TYR A 71 -4.210 16.561 20.776 1.00 44.55 H new ATOM 514 N PRO A 72 -2.588 13.464 28.365 1.00 21.22 N ATOM 515 CA PRO A 72 -2.027 12.604 29.422 1.00 4.24 C ATOM 516 C PRO A 72 -0.661 13.128 29.887 1.00 42.53 C ATOM 517 O PRO A 72 -0.078 13.967 29.227 1.00 21.12 O ATOM 518 CB PRO A 72 -1.842 11.259 28.687 1.00 4.41 C ATOM 519 CG PRO A 72 -1.845 11.586 27.241 1.00 2.32 C ATOM 520 CD PRO A 72 -2.772 12.725 27.098 1.00 24.35 C ATOM 0 HA PRO A 72 -2.655 12.550 30.311 1.00 4.24 H new ATOM 0 HB2 PRO A 72 -0.907 10.780 28.978 1.00 4.41 H new ATOM 0 HB3 PRO A 72 -2.646 10.565 28.933 1.00 4.41 H new ATOM 0 HG2 PRO A 72 -0.845 11.848 26.895 1.00 2.32 H new ATOM 0 HG3 PRO A 72 -2.175 10.734 26.646 1.00 2.32 H new ATOM 0 HD2 PRO A 72 -2.525 13.340 26.233 1.00 24.35 H new ATOM 0 HD3 PRO A 72 -3.802 12.393 26.970 1.00 24.35 H new ATOM 528 N SER A 73 -0.157 12.685 31.016 1.00 63.42 N ATOM 529 CA SER A 73 1.171 13.074 31.379 1.00 11.41 C ATOM 530 C SER A 73 2.089 11.959 30.903 1.00 21.42 C ATOM 531 O SER A 73 1.630 10.843 30.739 1.00 64.20 O ATOM 532 CB SER A 73 1.252 13.328 32.890 1.00 64.50 C ATOM 533 OG SER A 73 0.775 12.218 33.619 1.00 35.14 O ATOM 0 H SER A 73 -0.636 12.073 31.677 1.00 63.42 H new ATOM 0 HA SER A 73 1.474 14.011 30.912 1.00 11.41 H new ATOM 0 HB2 SER A 73 2.284 13.536 33.172 1.00 64.50 H new ATOM 0 HB3 SER A 73 0.668 14.212 33.145 1.00 64.50 H new ATOM 0 HG SER A 73 -0.205 12.236 33.638 1.00 35.14 H new ATOM 539 N THR A 74 3.343 12.214 30.651 1.00 45.22 N ATOM 540 CA THR A 74 4.201 11.160 30.108 1.00 61.31 C ATOM 541 C THR A 74 4.449 10.057 31.174 1.00 21.23 C ATOM 542 O THR A 74 4.922 8.956 30.888 1.00 12.31 O ATOM 543 CB THR A 74 5.528 11.748 29.545 1.00 32.23 C ATOM 544 OG1 THR A 74 5.985 10.931 28.438 1.00 34.05 O ATOM 545 CG2 THR A 74 6.622 11.831 30.640 1.00 51.23 C ATOM 0 H THR A 74 3.799 13.114 30.803 1.00 45.22 H new ATOM 0 HA THR A 74 3.687 10.692 29.269 1.00 61.31 H new ATOM 0 HB THR A 74 5.335 12.763 29.197 1.00 32.23 H new ATOM 0 HG1 THR A 74 5.846 11.413 27.596 1.00 34.05 H new ATOM 0 HG21 THR A 74 7.535 12.246 30.212 1.00 51.23 H new ATOM 0 HG22 THR A 74 6.277 12.473 31.451 1.00 51.23 H new ATOM 0 HG23 THR A 74 6.825 10.833 31.028 1.00 51.23 H new ATOM 553 N GLN A 75 4.096 10.376 32.387 1.00 43.51 N ATOM 554 CA GLN A 75 4.214 9.496 33.485 1.00 30.44 C ATOM 555 C GLN A 75 2.843 8.888 33.848 1.00 25.31 C ATOM 556 O GLN A 75 2.604 7.694 33.590 1.00 21.42 O ATOM 557 CB GLN A 75 4.820 10.308 34.596 1.00 75.15 C ATOM 558 CG GLN A 75 5.025 9.664 35.925 1.00 24.32 C ATOM 559 CD GLN A 75 5.874 10.586 36.737 1.00 53.35 C ATOM 560 OE1 GLN A 75 7.095 10.459 36.768 1.00 31.42 O ATOM 561 NE2 GLN A 75 5.274 11.580 37.300 1.00 42.40 N ATOM 0 H GLN A 75 3.708 11.287 32.633 1.00 43.51 H new ATOM 0 HA GLN A 75 4.849 8.638 33.266 1.00 30.44 H new ATOM 0 HB2 GLN A 75 5.789 10.669 34.251 1.00 75.15 H new ATOM 0 HB3 GLN A 75 4.189 11.184 34.747 1.00 75.15 H new ATOM 0 HG2 GLN A 75 4.069 9.487 36.418 1.00 24.32 H new ATOM 0 HG3 GLN A 75 5.510 8.694 35.812 1.00 24.32 H new ATOM 0 HE21 GLN A 75 4.258 11.654 37.255 1.00 42.40 H new ATOM 0 HE22 GLN A 75 5.816 12.291 37.790 1.00 42.40 H new ATOM 570 N GLN A 76 1.897 9.715 34.300 1.00 70.02 N ATOM 571 CA GLN A 76 0.606 9.197 34.743 1.00 24.23 C ATOM 572 C GLN A 76 -0.324 9.024 33.607 1.00 25.40 C ATOM 573 O GLN A 76 -1.161 8.146 33.642 1.00 21.02 O ATOM 574 CB GLN A 76 -0.014 10.043 35.842 1.00 35.32 C ATOM 575 CG GLN A 76 0.754 10.004 37.145 1.00 63.22 C ATOM 576 CD GLN A 76 0.094 10.814 38.231 1.00 5.52 C ATOM 577 OE1 GLN A 76 -1.127 10.972 38.263 1.00 74.45 O ATOM 578 NE2 GLN A 76 0.879 11.302 39.143 1.00 33.03 N ATOM 0 H GLN A 76 1.999 10.728 34.367 1.00 70.02 H new ATOM 0 HA GLN A 76 0.795 8.214 35.174 1.00 24.23 H new ATOM 0 HB2 GLN A 76 -0.080 11.076 35.500 1.00 35.32 H new ATOM 0 HB3 GLN A 76 -1.033 9.701 36.021 1.00 35.32 H new ATOM 0 HG2 GLN A 76 0.849 8.970 37.475 1.00 63.22 H new ATOM 0 HG3 GLN A 76 1.764 10.380 36.979 1.00 63.22 H new ATOM 0 HE21 GLN A 76 1.886 11.151 39.083 1.00 33.03 H new ATOM 0 HE22 GLN A 76 0.489 11.837 39.919 1.00 33.03 H new ATOM 587 N GLY A 77 -0.168 9.831 32.585 1.00 64.14 N ATOM 588 CA GLY A 77 -0.964 9.647 31.435 1.00 61.40 C ATOM 589 C GLY A 77 -0.515 8.450 30.626 1.00 43.41 C ATOM 590 O GLY A 77 -1.286 7.913 29.880 1.00 51.41 O ATOM 0 H GLY A 77 0.496 10.604 32.542 1.00 64.14 H new ATOM 0 HA2 GLY A 77 -2.005 9.516 31.731 1.00 61.40 H new ATOM 0 HA3 GLY A 77 -0.919 10.542 30.815 1.00 61.40 H new ATOM 594 N LEU A 78 0.729 8.006 30.804 1.00 64.11 N ATOM 595 CA LEU A 78 1.177 6.799 30.114 1.00 21.34 C ATOM 596 C LEU A 78 0.403 5.641 30.735 1.00 72.42 C ATOM 597 O LEU A 78 -0.220 4.817 30.035 1.00 71.23 O ATOM 598 CB LEU A 78 2.705 6.626 30.263 1.00 40.11 C ATOM 599 CG LEU A 78 3.417 5.633 29.308 1.00 33.41 C ATOM 600 CD1 LEU A 78 4.913 5.767 29.446 1.00 62.34 C ATOM 601 CD2 LEU A 78 3.018 4.185 29.567 1.00 44.52 C ATOM 0 H LEU A 78 1.426 8.449 31.402 1.00 64.11 H new ATOM 0 HA LEU A 78 0.985 6.848 29.042 1.00 21.34 H new ATOM 0 HB2 LEU A 78 3.167 7.605 30.134 1.00 40.11 H new ATOM 0 HB3 LEU A 78 2.908 6.310 31.286 1.00 40.11 H new ATOM 0 HG LEU A 78 3.104 5.888 28.295 1.00 33.41 H new ATOM 0 HD11 LEU A 78 5.405 5.066 28.772 1.00 62.34 H new ATOM 0 HD12 LEU A 78 5.212 6.784 29.193 1.00 62.34 H new ATOM 0 HD13 LEU A 78 5.205 5.548 30.473 1.00 62.34 H new ATOM 0 HD21 LEU A 78 3.545 3.532 28.871 1.00 44.52 H new ATOM 0 HD22 LEU A 78 3.280 3.913 30.589 1.00 44.52 H new ATOM 0 HD23 LEU A 78 1.943 4.073 29.426 1.00 44.52 H new ATOM 613 N GLU A 79 0.360 5.649 32.061 1.00 22.21 N ATOM 614 CA GLU A 79 -0.437 4.695 32.792 1.00 63.21 C ATOM 615 C GLU A 79 -1.893 4.911 32.534 1.00 63.44 C ATOM 616 O GLU A 79 -2.653 4.040 32.715 1.00 43.43 O ATOM 617 CB GLU A 79 -0.196 4.764 34.289 1.00 65.43 C ATOM 618 CG GLU A 79 1.106 4.180 34.734 1.00 44.52 C ATOM 619 CD GLU A 79 1.234 2.726 34.361 1.00 45.51 C ATOM 620 OE1 GLU A 79 1.669 2.420 33.247 1.00 74.14 O ATOM 621 OE2 GLU A 79 0.898 1.860 35.191 1.00 30.20 O ATOM 0 H GLU A 79 0.872 6.310 32.646 1.00 22.21 H new ATOM 0 HA GLU A 79 -0.133 3.710 32.437 1.00 63.21 H new ATOM 0 HB2 GLU A 79 -0.239 5.807 34.604 1.00 65.43 H new ATOM 0 HB3 GLU A 79 -1.007 4.244 34.799 1.00 65.43 H new ATOM 0 HG2 GLU A 79 1.926 4.742 34.287 1.00 44.52 H new ATOM 0 HG3 GLU A 79 1.199 4.286 35.815 1.00 44.52 H new ATOM 628 N ALA A 80 -2.259 6.083 32.109 1.00 4.11 N ATOM 629 CA ALA A 80 -3.643 6.409 31.840 1.00 3.11 C ATOM 630 C ALA A 80 -4.016 6.095 30.399 1.00 71.35 C ATOM 631 O ALA A 80 -5.145 6.269 29.979 1.00 43.54 O ATOM 632 CB ALA A 80 -3.901 7.849 32.171 1.00 11.32 C ATOM 0 H ALA A 80 -1.609 6.850 31.936 1.00 4.11 H new ATOM 0 HA ALA A 80 -4.276 5.789 32.475 1.00 3.11 H new ATOM 0 HB1 ALA A 80 -4.945 8.088 31.966 1.00 11.32 H new ATOM 0 HB2 ALA A 80 -3.689 8.024 33.226 1.00 11.32 H new ATOM 0 HB3 ALA A 80 -3.257 8.483 31.562 1.00 11.32 H new ATOM 638 N LEU A 81 -3.039 5.681 29.644 1.00 61.13 N ATOM 639 CA LEU A 81 -3.245 5.238 28.285 1.00 11.31 C ATOM 640 C LEU A 81 -3.291 3.714 28.232 1.00 15.44 C ATOM 641 O LEU A 81 -3.808 3.120 27.278 1.00 42.03 O ATOM 642 CB LEU A 81 -2.143 5.803 27.372 1.00 54.15 C ATOM 643 CG LEU A 81 -2.507 7.048 26.522 1.00 25.54 C ATOM 644 CD1 LEU A 81 -3.113 8.154 27.361 1.00 25.30 C ATOM 645 CD2 LEU A 81 -1.275 7.559 25.782 1.00 14.03 C ATOM 0 H LEU A 81 -2.067 5.639 29.952 1.00 61.13 H new ATOM 0 HA LEU A 81 -4.202 5.613 27.924 1.00 11.31 H new ATOM 0 HB2 LEU A 81 -1.284 6.056 27.993 1.00 54.15 H new ATOM 0 HB3 LEU A 81 -1.824 5.011 26.694 1.00 54.15 H new ATOM 0 HG LEU A 81 -3.261 6.740 25.798 1.00 25.54 H new ATOM 0 HD11 LEU A 81 -3.352 9.005 26.723 1.00 25.30 H new ATOM 0 HD12 LEU A 81 -4.023 7.791 27.838 1.00 25.30 H new ATOM 0 HD13 LEU A 81 -2.400 8.462 28.126 1.00 25.30 H new ATOM 0 HD21 LEU A 81 -1.543 8.433 25.189 1.00 14.03 H new ATOM 0 HD22 LEU A 81 -0.505 7.832 26.503 1.00 14.03 H new ATOM 0 HD23 LEU A 81 -0.895 6.777 25.124 1.00 14.03 H new ATOM 657 N VAL A 82 -2.728 3.083 29.245 1.00 53.15 N ATOM 658 CA VAL A 82 -2.753 1.625 29.337 1.00 73.45 C ATOM 659 C VAL A 82 -3.727 1.159 30.464 1.00 54.22 C ATOM 660 O VAL A 82 -4.339 0.101 30.376 1.00 13.24 O ATOM 661 CB VAL A 82 -1.314 1.050 29.567 1.00 1.20 C ATOM 662 CG1 VAL A 82 -1.309 -0.477 29.525 1.00 42.02 C ATOM 663 CG2 VAL A 82 -0.334 1.610 28.533 1.00 2.05 C ATOM 0 H VAL A 82 -2.249 3.549 30.015 1.00 53.15 H new ATOM 0 HA VAL A 82 -3.120 1.234 28.388 1.00 73.45 H new ATOM 0 HB VAL A 82 -0.992 1.362 30.561 1.00 1.20 H new ATOM 0 HG11 VAL A 82 -0.295 -0.842 29.688 1.00 42.02 H new ATOM 0 HG12 VAL A 82 -1.964 -0.865 30.305 1.00 42.02 H new ATOM 0 HG13 VAL A 82 -1.664 -0.815 28.552 1.00 42.02 H new ATOM 0 HG21 VAL A 82 0.659 1.197 28.712 1.00 2.05 H new ATOM 0 HG22 VAL A 82 -0.666 1.336 27.532 1.00 2.05 H new ATOM 0 HG23 VAL A 82 -0.296 2.696 28.618 1.00 2.05 H new ATOM 673 N LYS A 83 -3.851 1.975 31.494 1.00 34.22 N ATOM 674 CA LYS A 83 -4.727 1.742 32.658 1.00 15.45 C ATOM 675 C LYS A 83 -5.686 2.928 32.772 1.00 10.34 C ATOM 676 O LYS A 83 -5.340 4.012 32.350 1.00 53.24 O ATOM 677 CB LYS A 83 -3.893 1.585 33.987 1.00 2.04 C ATOM 678 CG LYS A 83 -3.293 0.198 34.228 1.00 2.05 C ATOM 679 CD LYS A 83 -2.267 -0.186 33.186 1.00 41.43 C ATOM 680 CE LYS A 83 -1.841 -1.633 33.325 1.00 71.05 C ATOM 681 NZ LYS A 83 -2.978 -2.564 33.156 1.00 60.04 N ATOM 0 H LYS A 83 -3.333 2.851 31.558 1.00 34.22 H new ATOM 0 HA LYS A 83 -5.279 0.813 32.515 1.00 15.45 H new ATOM 0 HB2 LYS A 83 -3.084 2.315 33.976 1.00 2.04 H new ATOM 0 HB3 LYS A 83 -4.536 1.835 34.831 1.00 2.04 H new ATOM 0 HG2 LYS A 83 -2.829 0.174 35.214 1.00 2.05 H new ATOM 0 HG3 LYS A 83 -4.093 -0.543 34.234 1.00 2.05 H new ATOM 0 HD2 LYS A 83 -2.680 -0.022 32.191 1.00 41.43 H new ATOM 0 HD3 LYS A 83 -1.394 0.461 33.279 1.00 41.43 H new ATOM 0 HE2 LYS A 83 -1.075 -1.858 32.583 1.00 71.05 H new ATOM 0 HE3 LYS A 83 -1.390 -1.786 34.306 1.00 71.05 H new ATOM 0 HZ1 LYS A 83 -2.618 -3.515 32.937 1.00 60.04 H new ATOM 0 HZ2 LYS A 83 -3.533 -2.597 34.035 1.00 60.04 H new ATOM 0 HZ3 LYS A 83 -3.583 -2.235 32.377 1.00 60.04 H new ATOM 695 N LYS A 84 -6.886 2.721 33.299 1.00 24.02 N ATOM 696 CA LYS A 84 -7.890 3.803 33.407 1.00 10.15 C ATOM 697 C LYS A 84 -7.322 5.023 34.161 1.00 72.41 C ATOM 698 O LYS A 84 -6.661 4.866 35.197 1.00 13.34 O ATOM 699 CB LYS A 84 -9.178 3.297 34.084 1.00 71.33 C ATOM 700 CG LYS A 84 -9.906 2.214 33.294 1.00 34.34 C ATOM 701 CD LYS A 84 -11.180 1.676 33.982 1.00 61.10 C ATOM 702 CE LYS A 84 -12.362 2.671 34.033 1.00 3.10 C ATOM 703 NZ LYS A 84 -12.184 3.789 34.997 1.00 15.51 N ATOM 0 H LYS A 84 -7.199 1.820 33.661 1.00 24.02 H new ATOM 0 HA LYS A 84 -8.139 4.121 32.395 1.00 10.15 H new ATOM 0 HB2 LYS A 84 -8.929 2.908 35.071 1.00 71.33 H new ATOM 0 HB3 LYS A 84 -9.853 4.139 34.234 1.00 71.33 H new ATOM 0 HG2 LYS A 84 -10.176 2.613 32.316 1.00 34.34 H new ATOM 0 HG3 LYS A 84 -9.221 1.383 33.122 1.00 34.34 H new ATOM 0 HD2 LYS A 84 -11.504 0.776 33.460 1.00 61.10 H new ATOM 0 HD3 LYS A 84 -10.928 1.381 35.001 1.00 61.10 H new ATOM 0 HE2 LYS A 84 -12.514 3.087 33.037 1.00 3.10 H new ATOM 0 HE3 LYS A 84 -13.269 2.125 34.292 1.00 3.10 H new ATOM 0 HZ1 LYS A 84 -13.072 3.945 35.516 1.00 15.51 H new ATOM 0 HZ2 LYS A 84 -11.427 3.550 35.670 1.00 15.51 H new ATOM 0 HZ3 LYS A 84 -11.928 4.655 34.481 1.00 15.51 H new ATOM 717 N PRO A 85 -7.575 6.243 33.640 1.00 41.41 N ATOM 718 CA PRO A 85 -7.019 7.512 34.161 1.00 61.11 C ATOM 719 C PRO A 85 -7.254 7.729 35.650 1.00 52.32 C ATOM 720 O PRO A 85 -8.212 7.202 36.232 1.00 11.01 O ATOM 721 CB PRO A 85 -7.756 8.591 33.347 1.00 65.11 C ATOM 722 CG PRO A 85 -8.907 7.890 32.747 1.00 75.44 C ATOM 723 CD PRO A 85 -8.434 6.504 32.490 1.00 33.51 C ATOM 0 HA PRO A 85 -5.934 7.527 34.057 1.00 61.11 H new ATOM 0 HB2 PRO A 85 -8.082 9.413 33.984 1.00 65.11 H new ATOM 0 HB3 PRO A 85 -7.110 9.018 32.580 1.00 65.11 H new ATOM 0 HG2 PRO A 85 -9.764 7.894 33.420 1.00 75.44 H new ATOM 0 HG3 PRO A 85 -9.224 8.374 31.824 1.00 75.44 H new ATOM 0 HD2 PRO A 85 -9.262 5.797 32.433 1.00 33.51 H new ATOM 0 HD3 PRO A 85 -7.887 6.430 31.550 1.00 33.51 H new ATOM 731 N THR A 86 -6.382 8.479 36.257 1.00 61.14 N ATOM 732 CA THR A 86 -6.484 8.784 37.649 1.00 0.42 C ATOM 733 C THR A 86 -7.109 10.169 37.833 1.00 34.33 C ATOM 734 O THR A 86 -6.734 11.129 37.146 1.00 62.52 O ATOM 735 CB THR A 86 -5.096 8.697 38.319 1.00 12.03 C ATOM 736 OG1 THR A 86 -4.130 9.440 37.542 1.00 3.33 O ATOM 737 CG2 THR A 86 -4.650 7.245 38.431 1.00 51.42 C ATOM 0 H THR A 86 -5.575 8.898 35.795 1.00 61.14 H new ATOM 0 HA THR A 86 -7.131 8.053 38.133 1.00 0.42 H new ATOM 0 HB THR A 86 -5.165 9.124 39.320 1.00 12.03 H new ATOM 0 HG1 THR A 86 -3.251 9.383 37.972 1.00 3.33 H new ATOM 0 HG21 THR A 86 -3.670 7.201 38.905 1.00 51.42 H new ATOM 0 HG22 THR A 86 -5.369 6.689 39.032 1.00 51.42 H new ATOM 0 HG23 THR A 86 -4.591 6.805 37.436 1.00 51.42 H new ATOM 745 N GLY A 87 -8.070 10.260 38.703 1.00 71.43 N ATOM 746 CA GLY A 87 -8.753 11.501 38.919 1.00 5.23 C ATOM 747 C GLY A 87 -10.161 11.405 38.408 1.00 71.10 C ATOM 748 O GLY A 87 -10.817 10.374 38.596 1.00 13.53 O ATOM 0 H GLY A 87 -8.400 9.485 39.278 1.00 71.43 H new ATOM 0 HA2 GLY A 87 -8.758 11.743 39.982 1.00 5.23 H new ATOM 0 HA3 GLY A 87 -8.227 12.309 38.411 1.00 5.23 H new ATOM 752 N ASN A 88 -10.629 12.427 37.741 1.00 44.11 N ATOM 753 CA ASN A 88 -11.968 12.405 37.201 1.00 11.43 C ATOM 754 C ASN A 88 -11.953 12.801 35.731 1.00 61.13 C ATOM 755 O ASN A 88 -11.690 13.937 35.386 1.00 73.02 O ATOM 756 CB ASN A 88 -12.966 13.283 38.031 1.00 3.25 C ATOM 757 CG ASN A 88 -12.755 14.797 37.943 1.00 20.12 C ATOM 758 OD1 ASN A 88 -13.380 15.482 37.119 1.00 55.52 O ATOM 759 ND2 ASN A 88 -11.897 15.329 38.776 1.00 42.53 N ATOM 0 H ASN A 88 -10.107 13.284 37.558 1.00 44.11 H new ATOM 0 HA ASN A 88 -12.336 11.382 37.277 1.00 11.43 H new ATOM 0 HB2 ASN A 88 -13.980 13.057 37.701 1.00 3.25 H new ATOM 0 HB3 ASN A 88 -12.898 12.986 39.078 1.00 3.25 H new ATOM 0 HD21 ASN A 88 -11.726 16.334 38.759 1.00 42.53 H new ATOM 0 HD22 ASN A 88 -11.399 14.738 39.442 1.00 42.53 H new ATOM 766 N PRO A 89 -12.130 11.842 34.843 1.00 74.22 N ATOM 767 CA PRO A 89 -12.254 12.118 33.430 1.00 54.33 C ATOM 768 C PRO A 89 -13.736 12.453 33.109 1.00 71.13 C ATOM 769 O PRO A 89 -14.634 12.212 33.944 1.00 53.21 O ATOM 770 CB PRO A 89 -11.780 10.800 32.782 1.00 74.35 C ATOM 771 CG PRO A 89 -12.185 9.746 33.764 1.00 10.33 C ATOM 772 CD PRO A 89 -12.187 10.392 35.129 1.00 64.10 C ATOM 0 HA PRO A 89 -11.677 12.970 33.069 1.00 54.33 H new ATOM 0 HB2 PRO A 89 -12.249 10.642 31.811 1.00 74.35 H new ATOM 0 HB3 PRO A 89 -10.702 10.801 32.619 1.00 74.35 H new ATOM 0 HG2 PRO A 89 -13.172 9.352 33.522 1.00 10.33 H new ATOM 0 HG3 PRO A 89 -11.491 8.906 33.736 1.00 10.33 H new ATOM 0 HD2 PRO A 89 -13.084 10.132 35.692 1.00 64.10 H new ATOM 0 HD3 PRO A 89 -11.333 10.069 35.724 1.00 64.10 H new ATOM 780 N GLN A 90 -13.983 13.052 31.979 1.00 23.33 N ATOM 781 CA GLN A 90 -15.332 13.436 31.577 1.00 15.23 C ATOM 782 C GLN A 90 -15.952 12.278 30.797 1.00 61.04 C ATOM 783 O GLN A 90 -15.217 11.477 30.269 1.00 71.24 O ATOM 784 CB GLN A 90 -15.282 14.738 30.772 1.00 23.35 C ATOM 785 CG GLN A 90 -14.782 15.905 31.607 1.00 52.21 C ATOM 786 CD GLN A 90 -14.605 17.190 30.830 1.00 11.32 C ATOM 787 OE1 GLN A 90 -14.337 17.180 29.635 1.00 43.25 O ATOM 788 NE2 GLN A 90 -14.711 18.301 31.510 1.00 71.34 N ATOM 0 H GLN A 90 -13.262 13.294 31.300 1.00 23.33 H new ATOM 0 HA GLN A 90 -15.961 13.631 32.445 1.00 15.23 H new ATOM 0 HB2 GLN A 90 -14.631 14.605 29.908 1.00 23.35 H new ATOM 0 HB3 GLN A 90 -16.277 14.966 30.389 1.00 23.35 H new ATOM 0 HG2 GLN A 90 -15.483 16.080 32.423 1.00 52.21 H new ATOM 0 HG3 GLN A 90 -13.828 15.632 32.059 1.00 52.21 H new ATOM 0 HE21 GLN A 90 -14.936 18.271 32.504 1.00 71.34 H new ATOM 0 HE22 GLN A 90 -14.569 19.198 31.046 1.00 71.34 H new ATOM 797 N PRO A 91 -17.301 12.164 30.720 1.00 43.45 N ATOM 798 CA PRO A 91 -17.970 10.964 30.165 1.00 22.23 C ATOM 799 C PRO A 91 -17.609 10.598 28.710 1.00 11.41 C ATOM 800 O PRO A 91 -18.118 11.193 27.754 1.00 70.32 O ATOM 801 CB PRO A 91 -19.465 11.287 30.275 1.00 53.33 C ATOM 802 CG PRO A 91 -19.554 12.388 31.274 1.00 73.10 C ATOM 803 CD PRO A 91 -18.284 13.177 31.144 1.00 44.21 C ATOM 0 HA PRO A 91 -17.645 10.085 30.722 1.00 22.23 H new ATOM 0 HB2 PRO A 91 -19.873 11.595 29.312 1.00 53.33 H new ATOM 0 HB3 PRO A 91 -20.034 10.415 30.598 1.00 53.33 H new ATOM 0 HG2 PRO A 91 -20.424 13.017 31.084 1.00 73.10 H new ATOM 0 HG3 PRO A 91 -19.663 11.990 32.283 1.00 73.10 H new ATOM 0 HD2 PRO A 91 -18.380 13.977 30.410 1.00 44.21 H new ATOM 0 HD3 PRO A 91 -18.001 13.643 32.088 1.00 44.21 H new ATOM 811 N LYS A 92 -16.701 9.645 28.590 1.00 41.25 N ATOM 812 CA LYS A 92 -16.281 9.000 27.357 1.00 14.51 C ATOM 813 C LYS A 92 -15.830 7.600 27.700 1.00 12.32 C ATOM 814 O LYS A 92 -15.396 7.348 28.826 1.00 24.54 O ATOM 815 CB LYS A 92 -15.163 9.736 26.591 1.00 25.14 C ATOM 816 CG LYS A 92 -15.585 11.002 25.869 1.00 51.41 C ATOM 817 CD LYS A 92 -14.450 11.544 25.021 1.00 70.24 C ATOM 818 CE LYS A 92 -14.846 12.808 24.284 1.00 42.30 C ATOM 819 NZ LYS A 92 -15.908 12.597 23.287 1.00 63.23 N ATOM 0 H LYS A 92 -16.206 9.277 29.402 1.00 41.25 H new ATOM 0 HA LYS A 92 -17.137 9.007 26.682 1.00 14.51 H new ATOM 0 HB2 LYS A 92 -14.370 9.988 27.295 1.00 25.14 H new ATOM 0 HB3 LYS A 92 -14.734 9.049 25.861 1.00 25.14 H new ATOM 0 HG2 LYS A 92 -16.449 10.795 25.238 1.00 51.41 H new ATOM 0 HG3 LYS A 92 -15.893 11.754 26.595 1.00 51.41 H new ATOM 0 HD2 LYS A 92 -13.589 11.750 25.657 1.00 70.24 H new ATOM 0 HD3 LYS A 92 -14.141 10.786 24.301 1.00 70.24 H new ATOM 0 HE2 LYS A 92 -15.180 13.552 25.008 1.00 42.30 H new ATOM 0 HE3 LYS A 92 -13.968 13.219 23.786 1.00 42.30 H new ATOM 0 HZ1 LYS A 92 -16.048 13.470 22.739 1.00 63.23 H new ATOM 0 HZ2 LYS A 92 -15.634 11.826 22.646 1.00 63.23 H new ATOM 0 HZ3 LYS A 92 -16.794 12.346 23.771 1.00 63.23 H new ATOM 833 N ASN A 93 -16.009 6.679 26.801 1.00 0.55 N ATOM 834 CA ASN A 93 -15.591 5.307 27.046 1.00 45.34 C ATOM 835 C ASN A 93 -14.109 5.150 26.764 1.00 11.43 C ATOM 836 O ASN A 93 -13.699 5.016 25.598 1.00 33.24 O ATOM 837 CB ASN A 93 -16.404 4.302 26.219 1.00 3.22 C ATOM 838 CG ASN A 93 -17.872 4.278 26.594 1.00 30.21 C ATOM 839 OD1 ASN A 93 -18.287 3.533 27.486 1.00 64.44 O ATOM 840 ND2 ASN A 93 -18.669 5.073 25.928 1.00 32.30 N ATOM 0 H ASN A 93 -16.439 6.839 25.890 1.00 0.55 H new ATOM 0 HA ASN A 93 -15.779 5.090 28.097 1.00 45.34 H new ATOM 0 HB2 ASN A 93 -16.309 4.548 25.162 1.00 3.22 H new ATOM 0 HB3 ASN A 93 -15.984 3.305 26.353 1.00 3.22 H new ATOM 0 HD21 ASN A 93 -19.667 5.090 26.140 1.00 32.30 H new ATOM 0 HD22 ASN A 93 -18.293 5.676 25.197 1.00 32.30 H new ATOM 847 N TRP A 94 -13.317 5.219 27.826 1.00 60.54 N ATOM 848 CA TRP A 94 -11.874 5.116 27.782 1.00 53.44 C ATOM 849 C TRP A 94 -11.393 3.838 27.084 1.00 52.15 C ATOM 850 O TRP A 94 -11.975 2.753 27.247 1.00 11.00 O ATOM 851 CB TRP A 94 -11.326 5.195 29.215 1.00 1.32 C ATOM 852 CG TRP A 94 -9.852 5.058 29.318 1.00 2.45 C ATOM 853 CD1 TRP A 94 -8.923 6.052 29.241 1.00 2.35 C ATOM 854 CD2 TRP A 94 -9.131 3.840 29.513 1.00 3.20 C ATOM 855 NE1 TRP A 94 -7.669 5.511 29.365 1.00 63.33 N ATOM 856 CE2 TRP A 94 -7.775 4.160 29.528 1.00 31.00 C ATOM 857 CE3 TRP A 94 -9.514 2.503 29.667 1.00 4.24 C ATOM 858 CZ2 TRP A 94 -6.795 3.202 29.691 1.00 14.04 C ATOM 859 CZ3 TRP A 94 -8.540 1.552 29.833 1.00 4.22 C ATOM 860 CH2 TRP A 94 -7.194 1.907 29.842 1.00 65.54 C ATOM 0 H TRP A 94 -13.679 5.353 28.770 1.00 60.54 H new ATOM 0 HA TRP A 94 -11.492 5.947 27.188 1.00 53.44 H new ATOM 0 HB2 TRP A 94 -11.621 6.149 29.651 1.00 1.32 H new ATOM 0 HB3 TRP A 94 -11.794 4.413 29.813 1.00 1.32 H new ATOM 0 HD1 TRP A 94 -9.140 7.101 29.104 1.00 2.35 H new ATOM 0 HE1 TRP A 94 -6.795 6.036 29.339 1.00 63.33 H new ATOM 0 HE3 TRP A 94 -10.558 2.225 29.655 1.00 4.24 H new ATOM 0 HZ2 TRP A 94 -5.749 3.469 29.699 1.00 14.04 H new ATOM 0 HZ3 TRP A 94 -8.820 0.517 29.958 1.00 4.22 H new ATOM 0 HH2 TRP A 94 -6.447 1.138 29.972 1.00 65.54 H new ATOM 871 N ASN A 95 -10.318 3.980 26.352 1.00 72.23 N ATOM 872 CA ASN A 95 -9.714 2.909 25.605 1.00 54.42 C ATOM 873 C ASN A 95 -8.261 2.763 26.026 1.00 33.23 C ATOM 874 O ASN A 95 -7.573 3.771 26.190 1.00 24.31 O ATOM 875 CB ASN A 95 -9.752 3.235 24.103 1.00 33.42 C ATOM 876 CG ASN A 95 -9.009 2.220 23.200 1.00 54.20 C ATOM 877 OD1 ASN A 95 -8.457 2.599 22.172 1.00 43.14 O ATOM 878 ND2 ASN A 95 -9.016 0.946 23.531 1.00 3.24 N ATOM 0 H ASN A 95 -9.826 4.868 26.257 1.00 72.23 H new ATOM 0 HA ASN A 95 -10.262 1.987 25.799 1.00 54.42 H new ATOM 0 HB2 ASN A 95 -10.793 3.290 23.784 1.00 33.42 H new ATOM 0 HB3 ASN A 95 -9.318 4.223 23.949 1.00 33.42 H new ATOM 0 HD21 ASN A 95 -8.559 0.260 22.930 1.00 3.24 H new ATOM 0 HD22 ASN A 95 -9.479 0.644 24.389 1.00 3.24 H new ATOM 885 N LYS A 96 -7.790 1.532 26.213 1.00 11.22 N ATOM 886 CA LYS A 96 -6.379 1.326 26.486 1.00 51.21 C ATOM 887 C LYS A 96 -5.626 1.364 25.159 1.00 32.31 C ATOM 888 O LYS A 96 -6.148 1.858 24.165 1.00 33.04 O ATOM 889 CB LYS A 96 -6.094 -0.003 27.230 1.00 21.13 C ATOM 890 CG LYS A 96 -6.257 -1.269 26.411 1.00 31.20 C ATOM 891 CD LYS A 96 -5.886 -2.493 27.232 1.00 75.32 C ATOM 892 CE LYS A 96 -5.881 -3.761 26.392 1.00 10.41 C ATOM 893 NZ LYS A 96 -7.218 -4.121 25.878 1.00 32.33 N ATOM 0 H LYS A 96 -8.354 0.683 26.181 1.00 11.22 H new ATOM 0 HA LYS A 96 -6.040 2.121 27.150 1.00 51.21 H new ATOM 0 HB2 LYS A 96 -5.074 0.029 27.614 1.00 21.13 H new ATOM 0 HB3 LYS A 96 -6.758 -0.063 28.093 1.00 21.13 H new ATOM 0 HG2 LYS A 96 -7.288 -1.355 26.067 1.00 31.20 H new ATOM 0 HG3 LYS A 96 -5.628 -1.217 25.523 1.00 31.20 H new ATOM 0 HD2 LYS A 96 -4.901 -2.348 27.675 1.00 75.32 H new ATOM 0 HD3 LYS A 96 -6.592 -2.606 28.055 1.00 75.32 H new ATOM 0 HE2 LYS A 96 -5.199 -3.631 25.552 1.00 10.41 H new ATOM 0 HE3 LYS A 96 -5.495 -4.585 26.992 1.00 10.41 H new ATOM 0 HZ1 LYS A 96 -7.150 -4.992 25.314 1.00 32.33 H new ATOM 0 HZ2 LYS A 96 -7.867 -4.275 26.676 1.00 32.33 H new ATOM 0 HZ3 LYS A 96 -7.580 -3.350 25.281 1.00 32.33 H new ATOM 907 N ASP A 97 -4.392 0.877 25.150 1.00 54.11 N ATOM 908 CA ASP A 97 -3.558 0.863 23.980 1.00 65.41 C ATOM 909 C ASP A 97 -3.286 2.263 23.497 1.00 51.31 C ATOM 910 O ASP A 97 -2.981 2.484 22.339 1.00 35.20 O ATOM 911 CB ASP A 97 -4.106 -0.019 22.858 1.00 74.41 C ATOM 912 CG ASP A 97 -4.099 -1.498 23.168 1.00 50.43 C ATOM 913 OD1 ASP A 97 -2.992 -2.085 23.340 1.00 22.15 O ATOM 914 OD2 ASP A 97 -5.186 -2.108 23.237 1.00 31.44 O ATOM 0 H ASP A 97 -3.945 0.477 25.975 1.00 54.11 H new ATOM 0 HA ASP A 97 -2.613 0.411 24.280 1.00 65.41 H new ATOM 0 HB2 ASP A 97 -5.128 0.289 22.636 1.00 74.41 H new ATOM 0 HB3 ASP A 97 -3.518 0.154 21.956 1.00 74.41 H new ATOM 919 N GLY A 98 -3.400 3.195 24.410 1.00 12.05 N ATOM 920 CA GLY A 98 -3.005 4.548 24.162 1.00 54.43 C ATOM 921 C GLY A 98 -4.004 5.302 23.372 1.00 12.52 C ATOM 922 O GLY A 98 -3.655 6.292 22.741 1.00 13.42 O ATOM 0 H GLY A 98 -3.771 3.031 25.346 1.00 12.05 H new ATOM 0 HA2 GLY A 98 -2.844 5.055 25.113 1.00 54.43 H new ATOM 0 HA3 GLY A 98 -2.052 4.552 23.633 1.00 54.43 H new ATOM 926 N TYR A 99 -5.255 4.853 23.442 1.00 70.00 N ATOM 927 CA TYR A 99 -6.310 5.403 22.645 1.00 53.22 C ATOM 928 C TYR A 99 -6.007 5.154 21.177 1.00 23.05 C ATOM 929 O TYR A 99 -5.524 6.006 20.438 1.00 25.32 O ATOM 930 CB TYR A 99 -6.640 6.874 23.006 1.00 3.10 C ATOM 931 CG TYR A 99 -7.923 7.019 23.743 1.00 61.32 C ATOM 932 CD1 TYR A 99 -7.980 6.797 25.097 1.00 50.24 C ATOM 933 CD2 TYR A 99 -9.085 7.380 23.084 1.00 63.22 C ATOM 934 CE1 TYR A 99 -9.155 6.927 25.777 1.00 54.52 C ATOM 935 CE2 TYR A 99 -10.263 7.515 23.761 1.00 11.13 C ATOM 936 CZ TYR A 99 -10.290 7.284 25.105 1.00 54.42 C ATOM 937 OH TYR A 99 -11.448 7.407 25.785 1.00 55.41 O ATOM 0 H TYR A 99 -5.550 4.096 24.059 1.00 70.00 H new ATOM 0 HA TYR A 99 -7.242 4.886 22.873 1.00 53.22 H new ATOM 0 HB2 TYR A 99 -5.832 7.284 23.612 1.00 3.10 H new ATOM 0 HB3 TYR A 99 -6.684 7.465 22.091 1.00 3.10 H new ATOM 0 HD1 TYR A 99 -7.084 6.516 25.630 1.00 50.24 H new ATOM 0 HD2 TYR A 99 -9.060 7.557 22.019 1.00 63.22 H new ATOM 0 HE1 TYR A 99 -9.188 6.749 26.842 1.00 54.52 H new ATOM 0 HE2 TYR A 99 -11.163 7.802 23.238 1.00 11.13 H new ATOM 0 HH TYR A 99 -12.164 7.667 25.168 1.00 55.41 H new ATOM 947 N LEU A 100 -6.268 3.941 20.804 1.00 11.24 N ATOM 948 CA LEU A 100 -5.928 3.397 19.525 1.00 62.21 C ATOM 949 C LEU A 100 -7.215 3.020 18.824 1.00 32.24 C ATOM 950 O LEU A 100 -8.276 2.989 19.441 1.00 10.20 O ATOM 951 CB LEU A 100 -5.055 2.138 19.773 1.00 71.32 C ATOM 952 CG LEU A 100 -4.537 1.350 18.558 1.00 45.24 C ATOM 953 CD1 LEU A 100 -3.636 2.204 17.704 1.00 54.23 C ATOM 954 CD2 LEU A 100 -3.810 0.093 19.004 1.00 1.11 C ATOM 0 H LEU A 100 -6.745 3.272 21.409 1.00 11.24 H new ATOM 0 HA LEU A 100 -5.379 4.108 18.908 1.00 62.21 H new ATOM 0 HB2 LEU A 100 -4.190 2.445 20.361 1.00 71.32 H new ATOM 0 HB3 LEU A 100 -5.633 1.451 20.391 1.00 71.32 H new ATOM 0 HG LEU A 100 -5.398 1.057 17.957 1.00 45.24 H new ATOM 0 HD11 LEU A 100 -3.284 1.622 16.852 1.00 54.23 H new ATOM 0 HD12 LEU A 100 -4.189 3.072 17.347 1.00 54.23 H new ATOM 0 HD13 LEU A 100 -2.782 2.536 18.295 1.00 54.23 H new ATOM 0 HD21 LEU A 100 -3.452 -0.450 18.129 1.00 1.11 H new ATOM 0 HD22 LEU A 100 -2.963 0.366 19.633 1.00 1.11 H new ATOM 0 HD23 LEU A 100 -4.493 -0.541 19.570 1.00 1.11 H new ATOM 966 N LYS A 101 -7.151 2.752 17.559 1.00 61.14 N ATOM 967 CA LYS A 101 -8.319 2.329 16.841 1.00 20.22 C ATOM 968 C LYS A 101 -8.494 0.828 17.006 1.00 1.42 C ATOM 969 O LYS A 101 -7.743 0.187 17.742 1.00 1.20 O ATOM 970 CB LYS A 101 -8.215 2.718 15.369 1.00 74.01 C ATOM 971 CG LYS A 101 -8.192 4.217 15.118 1.00 11.03 C ATOM 972 CD LYS A 101 -9.474 4.875 15.599 1.00 52.21 C ATOM 973 CE LYS A 101 -9.472 6.369 15.344 1.00 51.24 C ATOM 974 NZ LYS A 101 -10.748 6.987 15.748 1.00 75.13 N ATOM 0 H LYS A 101 -6.302 2.818 16.997 1.00 61.14 H new ATOM 0 HA LYS A 101 -9.197 2.830 17.248 1.00 20.22 H new ATOM 0 HB2 LYS A 101 -7.309 2.278 14.952 1.00 74.01 H new ATOM 0 HB3 LYS A 101 -9.057 2.284 14.830 1.00 74.01 H new ATOM 0 HG2 LYS A 101 -7.338 4.661 15.630 1.00 11.03 H new ATOM 0 HG3 LYS A 101 -8.060 4.408 14.053 1.00 11.03 H new ATOM 0 HD2 LYS A 101 -10.327 4.422 15.094 1.00 52.21 H new ATOM 0 HD3 LYS A 101 -9.600 4.689 16.666 1.00 52.21 H new ATOM 0 HE2 LYS A 101 -8.652 6.832 15.893 1.00 51.24 H new ATOM 0 HE3 LYS A 101 -9.294 6.558 14.286 1.00 51.24 H new ATOM 0 HZ1 LYS A 101 -10.713 8.009 15.560 1.00 75.13 H new ATOM 0 HZ2 LYS A 101 -11.527 6.562 15.206 1.00 75.13 H new ATOM 0 HZ3 LYS A 101 -10.905 6.827 16.763 1.00 75.13 H new ATOM 988 N LYS A 102 -9.455 0.259 16.326 1.00 33.43 N ATOM 989 CA LYS A 102 -9.701 -1.177 16.423 1.00 15.42 C ATOM 990 C LYS A 102 -8.940 -1.920 15.335 1.00 22.04 C ATOM 991 O LYS A 102 -9.368 -2.957 14.814 1.00 41.11 O ATOM 992 CB LYS A 102 -11.204 -1.498 16.400 1.00 40.32 C ATOM 993 CG LYS A 102 -11.941 -1.219 17.727 1.00 23.52 C ATOM 994 CD LYS A 102 -12.075 0.266 18.082 1.00 20.55 C ATOM 995 CE LYS A 102 -12.969 1.010 17.102 1.00 50.04 C ATOM 996 NZ LYS A 102 -14.325 0.439 17.045 1.00 63.24 N ATOM 0 H LYS A 102 -10.085 0.757 15.697 1.00 33.43 H new ATOM 0 HA LYS A 102 -9.327 -1.523 17.386 1.00 15.42 H new ATOM 0 HB2 LYS A 102 -11.675 -0.915 15.609 1.00 40.32 H new ATOM 0 HB3 LYS A 102 -11.334 -2.549 16.142 1.00 40.32 H new ATOM 0 HG2 LYS A 102 -12.937 -1.658 17.673 1.00 23.52 H new ATOM 0 HG3 LYS A 102 -11.413 -1.726 18.534 1.00 23.52 H new ATOM 0 HD2 LYS A 102 -12.482 0.362 19.089 1.00 20.55 H new ATOM 0 HD3 LYS A 102 -11.087 0.726 18.092 1.00 20.55 H new ATOM 0 HE2 LYS A 102 -13.030 2.059 17.392 1.00 50.04 H new ATOM 0 HE3 LYS A 102 -12.521 0.979 16.109 1.00 50.04 H new ATOM 0 HZ1 LYS A 102 -14.965 1.110 16.574 1.00 63.24 H new ATOM 0 HZ2 LYS A 102 -14.304 -0.453 16.511 1.00 63.24 H new ATOM 0 HZ3 LYS A 102 -14.666 0.256 18.010 1.00 63.24 H new ATOM 1010 N LEU A 103 -7.788 -1.401 15.056 1.00 41.22 N ATOM 1011 CA LEU A 103 -6.887 -1.922 14.071 1.00 4.13 C ATOM 1012 C LEU A 103 -5.658 -2.473 14.773 1.00 13.35 C ATOM 1013 O LEU A 103 -5.333 -2.015 15.882 1.00 54.10 O ATOM 1014 CB LEU A 103 -6.491 -0.868 13.012 1.00 52.23 C ATOM 1015 CG LEU A 103 -7.574 -0.451 11.995 1.00 23.13 C ATOM 1016 CD1 LEU A 103 -8.660 0.410 12.604 1.00 23.55 C ATOM 1017 CD2 LEU A 103 -6.951 0.231 10.809 1.00 40.21 C ATOM 0 H LEU A 103 -7.432 -0.569 15.526 1.00 41.22 H new ATOM 0 HA LEU A 103 -7.397 -2.719 13.529 1.00 4.13 H new ATOM 0 HB2 LEU A 103 -6.156 0.028 13.535 1.00 52.23 H new ATOM 0 HB3 LEU A 103 -5.635 -1.252 12.456 1.00 52.23 H new ATOM 0 HG LEU A 103 -8.060 -1.368 11.663 1.00 23.13 H new ATOM 0 HD11 LEU A 103 -9.391 0.670 11.838 1.00 23.55 H new ATOM 0 HD12 LEU A 103 -9.154 -0.140 13.405 1.00 23.55 H new ATOM 0 HD13 LEU A 103 -8.218 1.321 13.008 1.00 23.55 H new ATOM 0 HD21 LEU A 103 -7.731 0.518 10.103 1.00 40.21 H new ATOM 0 HD22 LEU A 103 -6.417 1.121 11.141 1.00 40.21 H new ATOM 0 HD23 LEU A 103 -6.253 -0.451 10.322 1.00 40.21 H new ATOM 1029 N PRO A 104 -5.022 -3.518 14.200 1.00 74.54 N ATOM 1030 CA PRO A 104 -3.811 -4.144 14.766 1.00 43.24 C ATOM 1031 C PRO A 104 -2.645 -3.157 14.990 1.00 53.33 C ATOM 1032 O PRO A 104 -2.713 -1.975 14.624 1.00 64.50 O ATOM 1033 CB PRO A 104 -3.410 -5.173 13.703 1.00 30.24 C ATOM 1034 CG PRO A 104 -4.665 -5.470 12.972 1.00 64.13 C ATOM 1035 CD PRO A 104 -5.436 -4.189 12.947 1.00 20.14 C ATOM 0 HA PRO A 104 -4.019 -4.559 15.752 1.00 43.24 H new ATOM 0 HB2 PRO A 104 -2.647 -4.774 13.034 1.00 30.24 H new ATOM 0 HB3 PRO A 104 -2.995 -6.072 14.159 1.00 30.24 H new ATOM 0 HG2 PRO A 104 -4.455 -5.820 11.961 1.00 64.13 H new ATOM 0 HG3 PRO A 104 -5.231 -6.257 13.470 1.00 64.13 H new ATOM 0 HD2 PRO A 104 -5.192 -3.590 12.070 1.00 20.14 H new ATOM 0 HD3 PRO A 104 -6.511 -4.367 12.922 1.00 20.14 H new ATOM 1043 N VAL A 105 -1.571 -3.670 15.549 1.00 75.51 N ATOM 1044 CA VAL A 105 -0.395 -2.884 15.856 1.00 71.24 C ATOM 1045 C VAL A 105 0.434 -2.684 14.559 1.00 61.20 C ATOM 1046 O VAL A 105 0.066 -3.248 13.508 1.00 10.25 O ATOM 1047 CB VAL A 105 0.413 -3.561 16.993 1.00 22.14 C ATOM 1048 CG1 VAL A 105 1.204 -4.766 16.518 1.00 20.53 C ATOM 1049 CG2 VAL A 105 1.267 -2.581 17.754 1.00 14.20 C ATOM 0 H VAL A 105 -1.488 -4.654 15.806 1.00 75.51 H new ATOM 0 HA VAL A 105 -0.677 -1.896 16.221 1.00 71.24 H new ATOM 0 HB VAL A 105 -0.326 -3.943 17.698 1.00 22.14 H new ATOM 0 HG11 VAL A 105 1.749 -5.198 17.358 1.00 20.53 H new ATOM 0 HG12 VAL A 105 0.522 -5.510 16.107 1.00 20.53 H new ATOM 0 HG13 VAL A 105 1.910 -4.457 15.748 1.00 20.53 H new ATOM 0 HG21 VAL A 105 1.812 -3.106 18.539 1.00 14.20 H new ATOM 0 HG22 VAL A 105 1.976 -2.110 17.073 1.00 14.20 H new ATOM 0 HG23 VAL A 105 0.632 -1.817 18.202 1.00 14.20 H new ATOM 1059 N ASP A 106 1.519 -1.916 14.605 1.00 13.24 N ATOM 1060 CA ASP A 106 2.200 -1.518 13.374 1.00 30.20 C ATOM 1061 C ASP A 106 2.911 -2.662 12.680 1.00 63.25 C ATOM 1062 O ASP A 106 3.130 -3.748 13.276 1.00 40.11 O ATOM 1063 CB ASP A 106 3.145 -0.307 13.579 1.00 25.52 C ATOM 1064 CG ASP A 106 4.228 -0.526 14.584 1.00 32.05 C ATOM 1065 OD1 ASP A 106 3.962 -0.304 15.791 1.00 30.21 O ATOM 1066 OD2 ASP A 106 5.355 -0.873 14.183 1.00 64.04 O ATOM 0 H ASP A 106 1.940 -1.562 15.464 1.00 13.24 H new ATOM 0 HA ASP A 106 1.403 -1.198 12.703 1.00 30.20 H new ATOM 0 HB2 ASP A 106 3.601 -0.053 12.622 1.00 25.52 H new ATOM 0 HB3 ASP A 106 2.550 0.553 13.887 1.00 25.52 H new ATOM 1071 N PRO A 107 3.173 -2.496 11.351 1.00 2.35 N ATOM 1072 CA PRO A 107 3.969 -3.434 10.584 1.00 51.33 C ATOM 1073 C PRO A 107 5.343 -3.595 11.168 1.00 13.04 C ATOM 1074 O PRO A 107 5.729 -2.889 12.066 1.00 65.31 O ATOM 1075 CB PRO A 107 4.096 -2.791 9.226 1.00 74.51 C ATOM 1076 CG PRO A 107 2.916 -1.894 9.122 1.00 23.00 C ATOM 1077 CD PRO A 107 2.678 -1.387 10.502 1.00 40.41 C ATOM 0 HA PRO A 107 3.509 -4.422 10.566 1.00 51.33 H new ATOM 0 HB2 PRO A 107 5.028 -2.232 9.138 1.00 74.51 H new ATOM 0 HB3 PRO A 107 4.097 -3.538 8.432 1.00 74.51 H new ATOM 0 HG2 PRO A 107 3.107 -1.074 8.430 1.00 23.00 H new ATOM 0 HG3 PRO A 107 2.046 -2.432 8.746 1.00 23.00 H new ATOM 0 HD2 PRO A 107 3.220 -0.460 10.691 1.00 40.41 H new ATOM 0 HD3 PRO A 107 1.623 -1.181 10.681 1.00 40.41 H new ATOM 1085 N TRP A 108 6.067 -4.548 10.637 1.00 5.23 N ATOM 1086 CA TRP A 108 7.407 -4.936 11.086 1.00 33.01 C ATOM 1087 C TRP A 108 7.305 -5.525 12.497 1.00 2.51 C ATOM 1088 O TRP A 108 8.309 -5.738 13.184 1.00 52.40 O ATOM 1089 CB TRP A 108 8.381 -3.744 11.146 1.00 20.12 C ATOM 1090 CG TRP A 108 8.370 -2.840 9.970 1.00 25.24 C ATOM 1091 CD1 TRP A 108 8.800 -3.123 8.737 1.00 54.12 C ATOM 1092 CD2 TRP A 108 7.915 -1.478 9.944 1.00 43.44 C ATOM 1093 NE1 TRP A 108 8.664 -2.029 7.932 1.00 50.55 N ATOM 1094 CE2 TRP A 108 8.120 -1.006 8.649 1.00 62.52 C ATOM 1095 CE3 TRP A 108 7.357 -0.618 10.900 1.00 12.53 C ATOM 1096 CZ2 TRP A 108 7.796 0.287 8.265 1.00 65.51 C ATOM 1097 CZ3 TRP A 108 7.029 0.669 10.520 1.00 12.31 C ATOM 1098 CH2 TRP A 108 7.250 1.111 9.215 1.00 61.03 C ATOM 0 H TRP A 108 5.738 -5.105 9.848 1.00 5.23 H new ATOM 0 HA TRP A 108 7.792 -5.658 10.365 1.00 33.01 H new ATOM 0 HB2 TRP A 108 8.151 -3.156 12.034 1.00 20.12 H new ATOM 0 HB3 TRP A 108 9.392 -4.131 11.273 1.00 20.12 H new ATOM 0 HD1 TRP A 108 9.197 -4.077 8.423 1.00 54.12 H new ATOM 0 HE1 TRP A 108 8.928 -1.984 6.948 1.00 50.55 H new ATOM 0 HE3 TRP A 108 7.187 -0.954 11.912 1.00 12.53 H new ATOM 0 HZ2 TRP A 108 7.967 0.632 7.256 1.00 65.51 H new ATOM 0 HZ3 TRP A 108 6.595 1.343 11.244 1.00 12.31 H new ATOM 0 HH2 TRP A 108 6.985 2.123 8.948 1.00 61.03 H new ATOM 1109 N GLY A 109 6.081 -5.833 12.865 1.00 11.13 N ATOM 1110 CA GLY A 109 5.727 -6.362 14.152 1.00 64.25 C ATOM 1111 C GLY A 109 6.176 -5.527 15.334 1.00 44.02 C ATOM 1112 O GLY A 109 6.513 -6.097 16.380 1.00 5.24 O ATOM 0 H GLY A 109 5.278 -5.715 12.247 1.00 11.13 H new ATOM 0 HA2 GLY A 109 4.644 -6.474 14.196 1.00 64.25 H new ATOM 0 HA3 GLY A 109 6.155 -7.360 14.248 1.00 64.25 H new ATOM 1116 N ASN A 110 6.208 -4.206 15.212 1.00 32.53 N ATOM 1117 CA ASN A 110 6.567 -3.420 16.363 1.00 75.45 C ATOM 1118 C ASN A 110 5.310 -3.030 17.087 1.00 33.51 C ATOM 1119 O ASN A 110 4.191 -3.040 16.500 1.00 31.13 O ATOM 1120 CB ASN A 110 7.319 -2.114 16.038 1.00 44.04 C ATOM 1121 CG ASN A 110 8.390 -2.230 15.016 1.00 72.31 C ATOM 1122 OD1 ASN A 110 8.050 -1.879 13.823 1.00 51.12 O flip ATOM 1123 ND2 ASN A 110 9.548 -2.581 15.317 1.00 13.31 N flip ATOM 0 H ASN A 110 5.998 -3.683 14.362 1.00 32.53 H new ATOM 0 HA ASN A 110 7.236 -4.046 16.953 1.00 75.45 H new ATOM 0 HB2 ASN A 110 6.595 -1.374 15.698 1.00 44.04 H new ATOM 0 HB3 ASN A 110 7.759 -1.730 16.958 1.00 44.04 H new ATOM 0 HD21 ASN A 110 9.766 -2.850 16.276 1.00 13.31 H new ATOM 0 HD22 ASN A 110 10.277 -2.599 14.604 1.00 13.31 H new ATOM 1130 N PRO A 111 5.423 -2.817 18.387 1.00 11.14 N ATOM 1131 CA PRO A 111 4.397 -2.154 19.121 1.00 10.43 C ATOM 1132 C PRO A 111 4.530 -0.626 18.978 1.00 73.41 C ATOM 1133 O PRO A 111 5.645 -0.094 19.011 1.00 71.02 O ATOM 1134 CB PRO A 111 4.646 -2.587 20.566 1.00 75.05 C ATOM 1135 CG PRO A 111 6.101 -2.892 20.634 1.00 52.21 C ATOM 1136 CD PRO A 111 6.508 -3.326 19.254 1.00 34.10 C ATOM 0 HA PRO A 111 3.395 -2.406 18.772 1.00 10.43 H new ATOM 0 HB2 PRO A 111 4.376 -1.797 21.266 1.00 75.05 H new ATOM 0 HB3 PRO A 111 4.048 -3.461 20.824 1.00 75.05 H new ATOM 0 HG2 PRO A 111 6.667 -2.015 20.948 1.00 52.21 H new ATOM 0 HG3 PRO A 111 6.300 -3.678 21.363 1.00 52.21 H new ATOM 0 HD2 PRO A 111 7.474 -2.908 18.972 1.00 34.10 H new ATOM 0 HD3 PRO A 111 6.598 -4.410 19.186 1.00 34.10 H new ATOM 1144 N TYR A 112 3.404 0.060 18.862 1.00 24.41 N ATOM 1145 CA TYR A 112 3.378 1.521 18.768 1.00 44.11 C ATOM 1146 C TYR A 112 3.815 2.126 20.085 1.00 4.21 C ATOM 1147 O TYR A 112 3.496 1.583 21.167 1.00 3.24 O ATOM 1148 CB TYR A 112 1.977 2.066 18.415 1.00 44.23 C ATOM 1149 CG TYR A 112 1.592 2.053 16.951 1.00 1.15 C ATOM 1150 CD1 TYR A 112 2.095 3.015 16.086 1.00 64.21 C ATOM 1151 CD2 TYR A 112 0.710 1.112 16.438 1.00 71.42 C ATOM 1152 CE1 TYR A 112 1.742 3.040 14.752 1.00 22.11 C ATOM 1153 CE2 TYR A 112 0.345 1.133 15.099 1.00 15.24 C ATOM 1154 CZ TYR A 112 0.870 2.102 14.260 1.00 74.41 C ATOM 1155 OH TYR A 112 0.519 2.127 12.918 1.00 23.44 O ATOM 0 H TYR A 112 2.481 -0.374 18.830 1.00 24.41 H new ATOM 0 HA TYR A 112 4.061 1.800 17.966 1.00 44.11 H new ATOM 0 HB2 TYR A 112 1.237 1.486 18.967 1.00 44.23 H new ATOM 0 HB3 TYR A 112 1.910 3.093 18.775 1.00 44.23 H new ATOM 0 HD1 TYR A 112 2.778 3.761 16.465 1.00 64.21 H new ATOM 0 HD2 TYR A 112 0.302 0.353 17.089 1.00 71.42 H new ATOM 0 HE1 TYR A 112 2.151 3.796 14.097 1.00 22.11 H new ATOM 0 HE2 TYR A 112 -0.345 0.397 14.713 1.00 15.24 H new ATOM 0 HH TYR A 112 -0.418 1.856 12.820 1.00 23.44 H new ATOM 1165 N GLN A 113 4.508 3.234 20.016 1.00 51.22 N ATOM 1166 CA GLN A 113 5.059 3.860 21.199 1.00 74.14 C ATOM 1167 C GLN A 113 4.163 5.031 21.545 1.00 5.53 C ATOM 1168 O GLN A 113 3.982 5.956 20.715 1.00 11.24 O ATOM 1169 CB GLN A 113 6.477 4.465 20.951 1.00 20.13 C ATOM 1170 CG GLN A 113 7.287 3.978 19.742 1.00 45.13 C ATOM 1171 CD GLN A 113 7.605 2.513 19.679 1.00 72.14 C ATOM 1172 OE1 GLN A 113 7.755 1.961 18.580 1.00 72.22 O ATOM 1173 NE2 GLN A 113 7.726 1.868 20.810 1.00 2.22 N ATOM 0 H GLN A 113 4.707 3.728 19.146 1.00 51.22 H new ATOM 0 HA GLN A 113 5.126 3.101 21.978 1.00 74.14 H new ATOM 0 HB2 GLN A 113 6.364 5.545 20.859 1.00 20.13 H new ATOM 0 HB3 GLN A 113 7.075 4.282 21.844 1.00 20.13 H new ATOM 0 HG2 GLN A 113 6.739 4.245 18.838 1.00 45.13 H new ATOM 0 HG3 GLN A 113 8.227 4.530 19.720 1.00 45.13 H new ATOM 0 HE21 GLN A 113 7.595 2.360 21.694 1.00 2.22 H new ATOM 0 HE22 GLN A 113 7.952 0.873 20.808 1.00 2.22 H new ATOM 1182 N TYR A 114 3.573 4.993 22.734 1.00 41.54 N ATOM 1183 CA TYR A 114 2.699 6.065 23.146 1.00 74.12 C ATOM 1184 C TYR A 114 3.429 6.855 24.212 1.00 53.32 C ATOM 1185 O TYR A 114 3.777 6.304 25.262 1.00 50.12 O ATOM 1186 CB TYR A 114 1.395 5.511 23.781 1.00 14.20 C ATOM 1187 CG TYR A 114 0.845 4.225 23.173 1.00 50.14 C ATOM 1188 CD1 TYR A 114 0.748 4.052 21.800 1.00 65.31 C ATOM 1189 CD2 TYR A 114 0.423 3.176 23.996 1.00 74.04 C ATOM 1190 CE1 TYR A 114 0.262 2.881 21.266 1.00 41.50 C ATOM 1191 CE2 TYR A 114 -0.067 2.004 23.466 1.00 3.42 C ATOM 1192 CZ TYR A 114 -0.139 1.864 22.096 1.00 31.24 C ATOM 1193 OH TYR A 114 -0.641 0.698 21.552 1.00 74.33 O ATOM 0 H TYR A 114 3.686 4.241 23.414 1.00 41.54 H new ATOM 0 HA TYR A 114 2.439 6.671 22.278 1.00 74.12 H new ATOM 0 HB2 TYR A 114 1.577 5.338 24.842 1.00 14.20 H new ATOM 0 HB3 TYR A 114 0.626 6.280 23.710 1.00 14.20 H new ATOM 0 HD1 TYR A 114 1.059 4.849 21.140 1.00 65.31 H new ATOM 0 HD2 TYR A 114 0.483 3.288 25.069 1.00 74.04 H new ATOM 0 HE1 TYR A 114 0.196 2.762 20.195 1.00 41.50 H new ATOM 0 HE2 TYR A 114 -0.391 1.204 24.115 1.00 3.42 H new ATOM 0 HH TYR A 114 -0.879 0.077 22.272 1.00 74.33 H new ATOM 1203 N LEU A 115 3.684 8.102 23.946 1.00 22.03 N ATOM 1204 CA LEU A 115 4.313 8.978 24.907 1.00 22.13 C ATOM 1205 C LEU A 115 3.500 10.243 25.034 1.00 1.24 C ATOM 1206 O LEU A 115 2.834 10.655 24.077 1.00 22.01 O ATOM 1207 CB LEU A 115 5.751 9.294 24.508 1.00 50.04 C ATOM 1208 CG LEU A 115 6.744 8.128 24.488 1.00 10.45 C ATOM 1209 CD1 LEU A 115 8.100 8.597 23.986 1.00 15.43 C ATOM 1210 CD2 LEU A 115 6.882 7.517 25.875 1.00 64.20 C ATOM 0 H LEU A 115 3.463 8.548 23.055 1.00 22.03 H new ATOM 0 HA LEU A 115 4.349 8.475 25.873 1.00 22.13 H new ATOM 0 HB2 LEU A 115 5.735 9.741 23.514 1.00 50.04 H new ATOM 0 HB3 LEU A 115 6.133 10.051 25.193 1.00 50.04 H new ATOM 0 HG LEU A 115 6.362 7.365 23.810 1.00 10.45 H new ATOM 0 HD11 LEU A 115 8.795 7.757 23.977 1.00 15.43 H new ATOM 0 HD12 LEU A 115 7.997 8.993 22.976 1.00 15.43 H new ATOM 0 HD13 LEU A 115 8.482 9.377 24.644 1.00 15.43 H new ATOM 0 HD21 LEU A 115 7.592 6.690 25.840 1.00 64.20 H new ATOM 0 HD22 LEU A 115 7.241 8.274 26.572 1.00 64.20 H new ATOM 0 HD23 LEU A 115 5.912 7.148 26.208 1.00 64.20 H new ATOM 1222 N ALA A 116 3.573 10.880 26.165 1.00 10.20 N ATOM 1223 CA ALA A 116 2.798 12.037 26.409 1.00 11.22 C ATOM 1224 C ALA A 116 3.760 13.225 26.640 1.00 31.33 C ATOM 1225 O ALA A 116 4.958 13.005 26.537 1.00 22.22 O ATOM 1226 CB ALA A 116 1.845 11.733 27.531 1.00 72.24 C ATOM 0 H ALA A 116 4.176 10.603 26.939 1.00 10.20 H new ATOM 0 HA ALA A 116 2.173 12.331 25.566 1.00 11.22 H new ATOM 0 HB1 ALA A 116 1.235 12.612 27.738 1.00 72.24 H new ATOM 0 HB2 ALA A 116 1.200 10.902 27.245 1.00 72.24 H new ATOM 0 HB3 ALA A 116 2.409 11.464 28.424 1.00 72.24 H new ATOM 1232 N PRO A 117 3.305 14.480 26.934 1.00 41.23 N ATOM 1233 CA PRO A 117 4.189 15.629 26.947 1.00 50.13 C ATOM 1234 C PRO A 117 5.336 15.521 27.895 1.00 33.44 C ATOM 1235 O PRO A 117 5.165 15.315 29.105 1.00 45.45 O ATOM 1236 CB PRO A 117 3.302 16.824 27.260 1.00 73.24 C ATOM 1237 CG PRO A 117 2.127 16.240 27.938 1.00 73.21 C ATOM 1238 CD PRO A 117 1.965 14.859 27.348 1.00 2.31 C ATOM 0 HA PRO A 117 4.682 15.721 25.979 1.00 50.13 H new ATOM 0 HB2 PRO A 117 3.814 17.542 27.900 1.00 73.24 H new ATOM 0 HB3 PRO A 117 3.014 17.354 26.352 1.00 73.24 H new ATOM 0 HG2 PRO A 117 2.280 16.191 29.016 1.00 73.21 H new ATOM 0 HG3 PRO A 117 1.236 16.845 27.770 1.00 73.21 H new ATOM 0 HD2 PRO A 117 1.563 14.159 28.081 1.00 2.31 H new ATOM 0 HD3 PRO A 117 1.276 14.867 26.503 1.00 2.31 H new ATOM 1289 N GLY A 121 6.736 19.119 24.211 1.00 41.12 N ATOM 1290 CA GLY A 121 5.722 18.659 23.312 1.00 41.23 C ATOM 1291 C GLY A 121 4.590 17.968 23.935 1.00 3.22 C ATOM 1292 O GLY A 121 4.818 17.014 24.653 1.00 11.34 O ATOM 0 HA2 GLY A 121 5.340 19.514 22.755 1.00 41.23 H new ATOM 0 HA3 GLY A 121 6.181 17.986 22.588 1.00 41.23 H new ATOM 1296 N PRO A 122 3.332 18.444 23.630 1.00 13.15 N ATOM 1297 CA PRO A 122 2.038 17.872 24.083 1.00 10.45 C ATOM 1298 C PRO A 122 1.923 16.349 24.007 1.00 62.44 C ATOM 1299 O PRO A 122 1.077 15.785 24.683 1.00 61.32 O ATOM 1300 CB PRO A 122 1.044 18.493 23.124 1.00 64.13 C ATOM 1301 CG PRO A 122 1.595 19.831 22.862 1.00 51.23 C ATOM 1302 CD PRO A 122 3.088 19.668 22.832 1.00 33.02 C ATOM 0 HA PRO A 122 1.889 18.087 25.141 1.00 10.45 H new ATOM 0 HB2 PRO A 122 0.956 17.910 22.207 1.00 64.13 H new ATOM 0 HB3 PRO A 122 0.048 18.550 23.562 1.00 64.13 H new ATOM 0 HG2 PRO A 122 1.227 20.225 21.915 1.00 51.23 H new ATOM 0 HG3 PRO A 122 1.295 20.535 23.638 1.00 51.23 H new ATOM 0 HD2 PRO A 122 3.457 19.560 21.812 1.00 33.02 H new ATOM 0 HD3 PRO A 122 3.592 20.533 23.263 1.00 33.02 H new ATOM 1310 N PHE A 123 2.710 15.703 23.144 1.00 70.43 N ATOM 1311 CA PHE A 123 2.790 14.235 23.104 1.00 34.54 C ATOM 1312 C PHE A 123 3.823 13.801 22.101 1.00 3.20 C ATOM 1313 O PHE A 123 4.336 14.638 21.348 1.00 13.11 O ATOM 1314 CB PHE A 123 1.417 13.525 22.837 1.00 44.20 C ATOM 1315 CG PHE A 123 0.740 13.806 21.512 1.00 31.14 C ATOM 1316 CD1 PHE A 123 -0.084 14.913 21.348 1.00 34.03 C ATOM 1317 CD2 PHE A 123 0.900 12.936 20.444 1.00 61.23 C ATOM 1318 CE1 PHE A 123 -0.725 15.143 20.147 1.00 30.41 C ATOM 1319 CE2 PHE A 123 0.264 13.165 19.242 1.00 23.32 C ATOM 1320 CZ PHE A 123 -0.549 14.269 19.093 1.00 73.23 C ATOM 0 H PHE A 123 3.304 16.172 22.460 1.00 70.43 H new ATOM 0 HA PHE A 123 3.089 13.918 24.103 1.00 34.54 H new ATOM 0 HB2 PHE A 123 1.572 12.449 22.916 1.00 44.20 H new ATOM 0 HB3 PHE A 123 0.730 13.807 23.634 1.00 44.20 H new ATOM 0 HD1 PHE A 123 -0.224 15.601 22.169 1.00 34.03 H new ATOM 0 HD2 PHE A 123 1.532 12.067 20.555 1.00 61.23 H new ATOM 0 HE1 PHE A 123 -1.364 16.006 20.032 1.00 30.41 H new ATOM 0 HE2 PHE A 123 0.402 12.480 18.418 1.00 23.32 H new ATOM 0 HZ PHE A 123 -1.048 14.450 18.152 1.00 73.23 H new ATOM 1330 N ASP A 124 4.152 12.524 22.118 1.00 21.13 N ATOM 1331 CA ASP A 124 5.057 11.921 21.131 1.00 14.20 C ATOM 1332 C ASP A 124 4.457 10.594 20.718 1.00 64.33 C ATOM 1333 O ASP A 124 4.356 9.676 21.533 1.00 74.02 O ATOM 1334 CB ASP A 124 6.503 11.667 21.667 1.00 65.11 C ATOM 1335 CG ASP A 124 7.294 12.895 22.062 1.00 2.12 C ATOM 1336 OD1 ASP A 124 7.819 13.611 21.178 1.00 71.42 O ATOM 1337 OD2 ASP A 124 7.472 13.133 23.273 1.00 53.52 O ATOM 0 H ASP A 124 3.804 11.865 22.814 1.00 21.13 H new ATOM 0 HA ASP A 124 5.155 12.623 20.303 1.00 14.20 H new ATOM 0 HB2 ASP A 124 6.437 11.009 22.533 1.00 65.11 H new ATOM 0 HB3 ASP A 124 7.063 11.130 20.901 1.00 65.11 H new ATOM 1342 N LEU A 125 4.019 10.486 19.490 1.00 51.12 N ATOM 1343 CA LEU A 125 3.403 9.262 19.038 1.00 53.22 C ATOM 1344 C LEU A 125 4.119 8.747 17.809 1.00 54.41 C ATOM 1345 O LEU A 125 4.255 9.477 16.824 1.00 4.24 O ATOM 1346 CB LEU A 125 1.948 9.514 18.715 1.00 41.44 C ATOM 1347 CG LEU A 125 1.190 8.338 18.151 1.00 51.54 C ATOM 1348 CD1 LEU A 125 0.996 7.246 19.199 1.00 3.03 C ATOM 1349 CD2 LEU A 125 -0.115 8.797 17.580 1.00 41.41 C ATOM 0 H LEU A 125 4.076 11.224 18.788 1.00 51.12 H new ATOM 0 HA LEU A 125 3.472 8.514 19.828 1.00 53.22 H new ATOM 0 HB2 LEU A 125 1.445 9.845 19.624 1.00 41.44 H new ATOM 0 HB3 LEU A 125 1.890 10.336 18.001 1.00 41.44 H new ATOM 0 HG LEU A 125 1.779 7.899 17.346 1.00 51.54 H new ATOM 0 HD11 LEU A 125 0.446 6.414 18.760 1.00 3.03 H new ATOM 0 HD12 LEU A 125 1.969 6.896 19.545 1.00 3.03 H new ATOM 0 HD13 LEU A 125 0.434 7.647 20.042 1.00 3.03 H new ATOM 0 HD21 LEU A 125 -0.656 7.942 17.175 1.00 41.41 H new ATOM 0 HD22 LEU A 125 -0.711 9.265 18.364 1.00 41.41 H new ATOM 0 HD23 LEU A 125 0.070 9.519 16.785 1.00 41.41 H new ATOM 1361 N TYR A 126 4.556 7.502 17.843 1.00 52.14 N ATOM 1362 CA TYR A 126 5.320 6.951 16.733 1.00 2.33 C ATOM 1363 C TYR A 126 5.447 5.452 16.847 1.00 3.33 C ATOM 1364 O TYR A 126 5.052 4.871 17.854 1.00 11.30 O ATOM 1365 CB TYR A 126 6.728 7.617 16.606 1.00 63.23 C ATOM 1366 CG TYR A 126 7.701 7.378 17.748 1.00 74.11 C ATOM 1367 CD1 TYR A 126 7.597 8.075 18.945 1.00 53.22 C ATOM 1368 CD2 TYR A 126 8.745 6.474 17.608 1.00 62.52 C ATOM 1369 CE1 TYR A 126 8.501 7.871 19.966 1.00 45.34 C ATOM 1370 CE2 TYR A 126 9.649 6.265 18.622 1.00 34.11 C ATOM 1371 CZ TYR A 126 9.525 6.964 19.798 1.00 53.51 C ATOM 1372 OH TYR A 126 10.426 6.753 20.809 1.00 21.32 O ATOM 0 H TYR A 126 4.399 6.857 18.617 1.00 52.14 H new ATOM 0 HA TYR A 126 4.766 7.178 15.822 1.00 2.33 H new ATOM 0 HB2 TYR A 126 7.190 7.262 15.685 1.00 63.23 H new ATOM 0 HB3 TYR A 126 6.587 8.692 16.498 1.00 63.23 H new ATOM 0 HD1 TYR A 126 6.796 8.787 19.078 1.00 53.22 H new ATOM 0 HD2 TYR A 126 8.849 5.924 16.684 1.00 62.52 H new ATOM 0 HE1 TYR A 126 8.407 8.419 20.892 1.00 45.34 H new ATOM 0 HE2 TYR A 126 10.453 5.555 18.495 1.00 34.11 H new ATOM 0 HH TYR A 126 11.234 6.334 20.445 1.00 21.32 H new ATOM 1382 N SER A 127 5.902 4.843 15.805 1.00 64.21 N ATOM 1383 CA SER A 127 6.261 3.459 15.799 1.00 65.42 C ATOM 1384 C SER A 127 7.689 3.345 15.300 1.00 24.11 C ATOM 1385 O SER A 127 8.138 4.186 14.501 1.00 74.22 O ATOM 1386 CB SER A 127 5.309 2.658 14.923 1.00 64.44 C ATOM 1387 OG SER A 127 5.233 3.189 13.614 1.00 11.14 O ATOM 0 H SER A 127 6.040 5.305 14.906 1.00 64.21 H new ATOM 0 HA SER A 127 6.189 3.049 16.806 1.00 65.42 H new ATOM 0 HB2 SER A 127 5.642 1.621 14.877 1.00 64.44 H new ATOM 0 HB3 SER A 127 4.316 2.654 15.373 1.00 64.44 H new ATOM 0 HG SER A 127 4.615 2.650 13.078 1.00 11.14 H new ATOM 1393 N LEU A 128 8.424 2.388 15.806 1.00 21.31 N ATOM 1394 CA LEU A 128 9.769 2.134 15.319 1.00 3.21 C ATOM 1395 C LEU A 128 9.725 1.623 13.872 1.00 1.43 C ATOM 1396 O LEU A 128 8.802 0.933 13.488 1.00 2.10 O ATOM 1397 CB LEU A 128 10.490 1.129 16.229 1.00 44.11 C ATOM 1398 CG LEU A 128 10.756 1.588 17.672 1.00 32.13 C ATOM 1399 CD1 LEU A 128 11.445 0.494 18.460 1.00 20.50 C ATOM 1400 CD2 LEU A 128 11.588 2.866 17.699 1.00 54.34 C ATOM 0 H LEU A 128 8.120 1.767 16.556 1.00 21.31 H new ATOM 0 HA LEU A 128 10.328 3.070 15.336 1.00 3.21 H new ATOM 0 HB2 LEU A 128 9.899 0.214 16.264 1.00 44.11 H new ATOM 0 HB3 LEU A 128 11.445 0.874 15.769 1.00 44.11 H new ATOM 0 HG LEU A 128 9.794 1.801 18.138 1.00 32.13 H new ATOM 0 HD11 LEU A 128 11.625 0.838 19.479 1.00 20.50 H new ATOM 0 HD12 LEU A 128 10.811 -0.392 18.483 1.00 20.50 H new ATOM 0 HD13 LEU A 128 12.396 0.248 17.987 1.00 20.50 H new ATOM 0 HD21 LEU A 128 11.760 3.166 18.733 1.00 54.34 H new ATOM 0 HD22 LEU A 128 12.545 2.687 17.209 1.00 54.34 H new ATOM 0 HD23 LEU A 128 11.054 3.659 17.175 1.00 54.34 H new ATOM 1412 N GLY A 129 10.714 1.993 13.077 1.00 73.34 N ATOM 1413 CA GLY A 129 10.742 1.553 11.696 1.00 52.30 C ATOM 1414 C GLY A 129 11.282 0.160 11.550 1.00 11.53 C ATOM 1415 O GLY A 129 11.558 -0.518 12.546 1.00 72.04 O ATOM 0 H GLY A 129 11.495 2.586 13.358 1.00 73.34 H new ATOM 0 HA2 GLY A 129 9.734 1.594 11.284 1.00 52.30 H new ATOM 0 HA3 GLY A 129 11.353 2.240 11.111 1.00 52.30 H new ATOM 1419 N ALA A 130 11.509 -0.238 10.316 1.00 32.11 N ATOM 1420 CA ALA A 130 11.981 -1.581 9.957 1.00 30.31 C ATOM 1421 C ALA A 130 13.360 -1.927 10.527 1.00 5.14 C ATOM 1422 O ALA A 130 13.807 -3.066 10.431 1.00 43.44 O ATOM 1423 CB ALA A 130 12.000 -1.726 8.450 1.00 30.04 C ATOM 0 H ALA A 130 11.371 0.369 9.508 1.00 32.11 H new ATOM 0 HA ALA A 130 11.280 -2.284 10.406 1.00 30.31 H new ATOM 0 HB1 ALA A 130 12.351 -2.723 8.185 1.00 30.04 H new ATOM 0 HB2 ALA A 130 10.994 -1.579 8.058 1.00 30.04 H new ATOM 0 HB3 ALA A 130 12.669 -0.980 8.021 1.00 30.04 H new ATOM 1429 N ASP A 131 14.025 -0.960 11.112 1.00 22.53 N ATOM 1430 CA ASP A 131 15.341 -1.199 11.684 1.00 40.54 C ATOM 1431 C ASP A 131 15.212 -1.513 13.181 1.00 50.14 C ATOM 1432 O ASP A 131 16.166 -1.949 13.824 1.00 12.34 O ATOM 1433 CB ASP A 131 16.227 0.039 11.472 1.00 41.31 C ATOM 1434 CG ASP A 131 17.691 -0.196 11.794 1.00 42.11 C ATOM 1435 OD1 ASP A 131 18.452 -0.591 10.884 1.00 43.33 O ATOM 1436 OD2 ASP A 131 18.123 0.030 12.945 1.00 34.14 O ATOM 0 H ASP A 131 13.685 -0.003 11.208 1.00 22.53 H new ATOM 0 HA ASP A 131 15.801 -2.053 11.188 1.00 40.54 H new ATOM 0 HB2 ASP A 131 16.140 0.364 10.435 1.00 41.31 H new ATOM 0 HB3 ASP A 131 15.854 0.853 12.094 1.00 41.31 H new ATOM 1441 N GLY A 132 14.000 -1.316 13.722 1.00 63.32 N ATOM 1442 CA GLY A 132 13.747 -1.547 15.146 1.00 53.31 C ATOM 1443 C GLY A 132 14.309 -0.430 16.006 1.00 33.33 C ATOM 1444 O GLY A 132 14.372 -0.532 17.240 1.00 33.21 O ATOM 0 H GLY A 132 13.186 -0.999 13.195 1.00 63.32 H new ATOM 0 HA2 GLY A 132 12.674 -1.631 15.316 1.00 53.31 H new ATOM 0 HA3 GLY A 132 14.193 -2.496 15.445 1.00 53.31 H new ATOM 1448 N LYS A 133 14.687 0.638 15.358 1.00 13.42 N ATOM 1449 CA LYS A 133 15.307 1.768 15.989 1.00 73.13 C ATOM 1450 C LYS A 133 14.764 3.042 15.373 1.00 33.22 C ATOM 1451 O LYS A 133 14.363 3.046 14.203 1.00 41.10 O ATOM 1452 CB LYS A 133 16.832 1.672 15.803 1.00 64.12 C ATOM 1453 CG LYS A 133 17.651 2.833 16.358 1.00 15.24 C ATOM 1454 CD LYS A 133 17.519 2.952 17.860 1.00 33.40 C ATOM 1455 CE LYS A 133 18.271 4.160 18.372 1.00 34.43 C ATOM 1456 NZ LYS A 133 18.141 4.322 19.835 1.00 21.02 N ATOM 0 H LYS A 133 14.569 0.748 14.351 1.00 13.42 H new ATOM 0 HA LYS A 133 15.086 1.778 17.056 1.00 73.13 H new ATOM 0 HB2 LYS A 133 17.178 0.752 16.275 1.00 64.12 H new ATOM 0 HB3 LYS A 133 17.043 1.582 14.737 1.00 64.12 H new ATOM 0 HG2 LYS A 133 18.700 2.695 16.096 1.00 15.24 H new ATOM 0 HG3 LYS A 133 17.326 3.762 15.891 1.00 15.24 H new ATOM 0 HD2 LYS A 133 16.466 3.031 18.132 1.00 33.40 H new ATOM 0 HD3 LYS A 133 17.904 2.050 18.336 1.00 33.40 H new ATOM 0 HE2 LYS A 133 19.325 4.067 18.111 1.00 34.43 H new ATOM 0 HE3 LYS A 133 17.898 5.055 17.875 1.00 34.43 H new ATOM 0 HZ1 LYS A 133 18.673 5.162 20.140 1.00 21.02 H new ATOM 0 HZ2 LYS A 133 17.138 4.438 20.084 1.00 21.02 H new ATOM 0 HZ3 LYS A 133 18.521 3.480 20.313 1.00 21.02 H new ATOM 1470 N GLU A 134 14.677 4.080 16.171 1.00 41.01 N ATOM 1471 CA GLU A 134 14.250 5.364 15.695 1.00 74.22 C ATOM 1472 C GLU A 134 15.416 6.122 15.025 1.00 73.14 C ATOM 1473 O GLU A 134 16.430 6.444 15.667 1.00 52.03 O ATOM 1474 CB GLU A 134 13.569 6.166 16.822 1.00 24.01 C ATOM 1475 CG GLU A 134 14.354 6.315 18.109 1.00 63.54 C ATOM 1476 CD GLU A 134 13.570 7.075 19.152 1.00 4.32 C ATOM 1477 OE1 GLU A 134 13.642 8.321 19.173 1.00 70.24 O ATOM 1478 OE2 GLU A 134 12.865 6.451 19.958 1.00 64.34 O ATOM 0 H GLU A 134 14.901 4.053 17.166 1.00 41.01 H new ATOM 0 HA GLU A 134 13.497 5.221 14.920 1.00 74.22 H new ATOM 0 HB2 GLU A 134 13.341 7.162 16.443 1.00 24.01 H new ATOM 0 HB3 GLU A 134 12.617 5.688 17.055 1.00 24.01 H new ATOM 0 HG2 GLU A 134 14.613 5.329 18.494 1.00 63.54 H new ATOM 0 HG3 GLU A 134 15.291 6.834 17.907 1.00 63.54 H new ATOM 1485 N GLY A 135 15.279 6.333 13.734 1.00 55.40 N ATOM 1486 CA GLY A 135 16.286 6.989 12.925 1.00 32.02 C ATOM 1487 C GLY A 135 15.634 7.725 11.773 1.00 24.22 C ATOM 1488 O GLY A 135 14.406 7.779 11.710 1.00 44.24 O ATOM 0 H GLY A 135 14.452 6.050 13.208 1.00 55.40 H new ATOM 0 HA2 GLY A 135 16.856 7.688 13.537 1.00 32.02 H new ATOM 0 HA3 GLY A 135 16.992 6.252 12.542 1.00 32.02 H new ATOM 1492 N GLY A 136 16.420 8.284 10.867 1.00 72.13 N ATOM 1493 CA GLY A 136 15.834 8.956 9.729 1.00 44.52 C ATOM 1494 C GLY A 136 16.092 8.167 8.474 1.00 73.52 C ATOM 1495 O GLY A 136 17.238 7.871 8.157 1.00 65.35 O ATOM 0 H GLY A 136 17.440 8.285 10.898 1.00 72.13 H new ATOM 0 HA2 GLY A 136 14.761 9.074 9.879 1.00 44.52 H new ATOM 0 HA3 GLY A 136 16.254 9.957 9.632 1.00 44.52 H new ATOM 1499 N SER A 137 15.024 7.877 7.759 1.00 52.53 N ATOM 1500 CA SER A 137 14.964 7.001 6.588 1.00 64.32 C ATOM 1501 C SER A 137 13.497 6.959 6.164 1.00 4.41 C ATOM 1502 O SER A 137 12.694 7.697 6.732 1.00 70.42 O ATOM 1503 CB SER A 137 15.463 5.578 6.936 1.00 23.11 C ATOM 1504 OG SER A 137 16.868 5.530 7.140 1.00 15.24 O ATOM 0 H SER A 137 14.111 8.269 7.989 1.00 52.53 H new ATOM 0 HA SER A 137 15.603 7.374 5.788 1.00 64.32 H new ATOM 0 HB2 SER A 137 14.956 5.228 7.835 1.00 23.11 H new ATOM 0 HB3 SER A 137 15.192 4.894 6.131 1.00 23.11 H new ATOM 0 HG SER A 137 17.227 6.442 7.158 1.00 15.24 H new ATOM 1510 N ASP A 138 13.136 6.197 5.159 1.00 73.10 N ATOM 1511 CA ASP A 138 11.708 6.043 4.868 1.00 25.31 C ATOM 1512 C ASP A 138 11.076 4.915 5.659 1.00 34.14 C ATOM 1513 O ASP A 138 10.327 5.170 6.594 1.00 62.12 O ATOM 1514 CB ASP A 138 11.367 5.968 3.375 1.00 31.40 C ATOM 1515 CG ASP A 138 11.279 7.346 2.737 1.00 13.31 C ATOM 1516 OD1 ASP A 138 10.238 8.021 2.879 1.00 75.24 O ATOM 1517 OD2 ASP A 138 12.249 7.791 2.104 1.00 52.23 O ATOM 0 H ASP A 138 13.771 5.688 4.545 1.00 73.10 H new ATOM 0 HA ASP A 138 11.255 6.973 5.211 1.00 25.31 H new ATOM 0 HB2 ASP A 138 12.125 5.378 2.860 1.00 31.40 H new ATOM 0 HB3 ASP A 138 10.418 5.448 3.246 1.00 31.40 H new ATOM 1522 N ASN A 139 11.418 3.683 5.350 1.00 12.51 N ATOM 1523 CA ASN A 139 10.785 2.541 6.025 1.00 52.54 C ATOM 1524 C ASN A 139 11.570 2.118 7.264 1.00 0.20 C ATOM 1525 O ASN A 139 11.034 1.498 8.170 1.00 4.13 O ATOM 1526 CB ASN A 139 10.587 1.335 5.069 1.00 5.30 C ATOM 1527 CG ASN A 139 11.869 0.612 4.699 1.00 74.11 C ATOM 1528 OD1 ASN A 139 12.539 0.953 3.719 1.00 3.01 O ATOM 1529 ND2 ASN A 139 12.183 -0.417 5.432 1.00 74.11 N ATOM 0 H ASN A 139 12.117 3.435 4.650 1.00 12.51 H new ATOM 0 HA ASN A 139 9.798 2.876 6.344 1.00 52.54 H new ATOM 0 HB2 ASN A 139 9.905 0.624 5.536 1.00 5.30 H new ATOM 0 HB3 ASN A 139 10.105 1.686 4.156 1.00 5.30 H new ATOM 0 HD21 ASN A 139 13.007 -0.973 5.204 1.00 74.11 H new ATOM 0 HD22 ASN A 139 11.605 -0.667 6.234 1.00 74.11 H new ATOM 1536 N ASP A 140 12.841 2.471 7.306 1.00 23.11 N ATOM 1537 CA ASP A 140 13.711 2.101 8.439 1.00 14.21 C ATOM 1538 C ASP A 140 13.593 3.110 9.552 1.00 4.32 C ATOM 1539 O ASP A 140 14.129 2.918 10.646 1.00 73.33 O ATOM 1540 CB ASP A 140 15.184 1.997 8.012 1.00 62.44 C ATOM 1541 CG ASP A 140 15.442 0.912 7.004 1.00 40.11 C ATOM 1542 OD1 ASP A 140 15.668 -0.242 7.401 1.00 11.42 O ATOM 1543 OD2 ASP A 140 15.421 1.201 5.782 1.00 73.54 O ATOM 0 H ASP A 140 13.306 3.012 6.577 1.00 23.11 H new ATOM 0 HA ASP A 140 13.378 1.124 8.791 1.00 14.21 H new ATOM 0 HB2 ASP A 140 15.501 2.953 7.594 1.00 62.44 H new ATOM 0 HB3 ASP A 140 15.798 1.815 8.894 1.00 62.44 H new ATOM 1548 N ALA A 141 12.882 4.164 9.276 1.00 43.04 N ATOM 1549 CA ALA A 141 12.719 5.253 10.197 1.00 11.20 C ATOM 1550 C ALA A 141 11.501 5.085 11.028 1.00 63.11 C ATOM 1551 O ALA A 141 10.564 4.399 10.635 1.00 30.00 O ATOM 1552 CB ALA A 141 12.606 6.537 9.466 1.00 60.21 C ATOM 0 H ALA A 141 12.391 4.294 8.391 1.00 43.04 H new ATOM 0 HA ALA A 141 13.598 5.259 10.842 1.00 11.20 H new ATOM 0 HB1 ALA A 141 12.483 7.352 10.179 1.00 60.21 H new ATOM 0 HB2 ALA A 141 13.509 6.702 8.879 1.00 60.21 H new ATOM 0 HB3 ALA A 141 11.743 6.503 8.802 1.00 60.21 H new ATOM 1558 N ASP A 142 11.514 5.717 12.157 1.00 41.40 N ATOM 1559 CA ASP A 142 10.395 5.714 13.036 1.00 23.13 C ATOM 1560 C ASP A 142 9.395 6.700 12.503 1.00 40.13 C ATOM 1561 O ASP A 142 9.687 7.904 12.329 1.00 60.44 O ATOM 1562 CB ASP A 142 10.816 6.085 14.471 1.00 73.54 C ATOM 1563 CG ASP A 142 11.491 7.444 14.585 1.00 11.01 C ATOM 1564 OD1 ASP A 142 12.524 7.654 13.923 1.00 12.50 O ATOM 1565 OD2 ASP A 142 11.009 8.321 15.333 1.00 70.04 O ATOM 0 H ASP A 142 12.311 6.255 12.496 1.00 41.40 H new ATOM 0 HA ASP A 142 9.958 4.716 13.082 1.00 23.13 H new ATOM 0 HB2 ASP A 142 9.934 6.073 15.112 1.00 73.54 H new ATOM 0 HB3 ASP A 142 11.495 5.320 14.849 1.00 73.54 H new ATOM 1570 N ILE A 143 8.258 6.210 12.173 1.00 72.23 N ATOM 1571 CA ILE A 143 7.256 7.037 11.632 1.00 60.43 C ATOM 1572 C ILE A 143 6.328 7.444 12.735 1.00 2.10 C ATOM 1573 O ILE A 143 5.954 6.629 13.580 1.00 30.20 O ATOM 1574 CB ILE A 143 6.525 6.386 10.389 1.00 60.43 C ATOM 1575 CG1 ILE A 143 5.787 5.067 10.711 1.00 25.44 C ATOM 1576 CG2 ILE A 143 7.514 6.150 9.265 1.00 40.53 C ATOM 1577 CD1 ILE A 143 4.410 5.249 11.313 1.00 44.53 C ATOM 0 H ILE A 143 8.000 5.228 12.271 1.00 72.23 H new ATOM 0 HA ILE A 143 7.713 7.936 11.218 1.00 60.43 H new ATOM 0 HB ILE A 143 5.761 7.103 10.086 1.00 60.43 H new ATOM 0 HG12 ILE A 143 5.695 4.484 9.795 1.00 25.44 H new ATOM 0 HG13 ILE A 143 6.397 4.483 11.400 1.00 25.44 H new ATOM 0 HG21 ILE A 143 6.999 5.702 8.415 1.00 40.53 H new ATOM 0 HG22 ILE A 143 7.954 7.100 8.962 1.00 40.53 H new ATOM 0 HG23 ILE A 143 8.301 5.478 9.608 1.00 40.53 H new ATOM 0 HD11 ILE A 143 3.966 4.273 11.507 1.00 44.53 H new ATOM 0 HD12 ILE A 143 4.492 5.802 12.248 1.00 44.53 H new ATOM 0 HD13 ILE A 143 3.779 5.803 10.618 1.00 44.53 H new ATOM 1589 N GLY A 144 6.036 8.687 12.805 1.00 43.33 N ATOM 1590 CA GLY A 144 5.187 9.134 13.825 1.00 73.32 C ATOM 1591 C GLY A 144 4.732 10.512 13.600 1.00 32.21 C ATOM 1592 O GLY A 144 5.168 11.182 12.648 1.00 73.34 O ATOM 0 H GLY A 144 6.374 9.407 12.167 1.00 43.33 H new ATOM 0 HA2 GLY A 144 4.322 8.474 13.892 1.00 73.32 H new ATOM 0 HA3 GLY A 144 5.707 9.076 14.781 1.00 73.32 H new ATOM 1596 N ASN A 145 3.900 10.955 14.468 1.00 14.24 N ATOM 1597 CA ASN A 145 3.322 12.249 14.392 1.00 20.45 C ATOM 1598 C ASN A 145 2.991 12.673 15.780 1.00 20.43 C ATOM 1599 O ASN A 145 2.695 11.830 16.645 1.00 40.01 O ATOM 1600 CB ASN A 145 2.068 12.307 13.459 1.00 63.32 C ATOM 1601 CG ASN A 145 0.754 11.683 13.990 1.00 61.24 C ATOM 1602 OD1 ASN A 145 0.819 10.631 14.764 1.00 23.21 O flip ATOM 1603 ND2 ASN A 145 -0.329 12.162 13.662 1.00 71.20 N flip ATOM 0 H ASN A 145 3.592 10.413 15.275 1.00 14.24 H new ATOM 0 HA ASN A 145 4.039 12.934 13.939 1.00 20.45 H new ATOM 0 HB2 ASN A 145 1.872 13.353 13.223 1.00 63.32 H new ATOM 0 HB3 ASN A 145 2.322 11.811 12.522 1.00 63.32 H new ATOM 0 HD21 ASN A 145 -0.361 12.983 13.058 1.00 71.20 H new ATOM 0 HD22 ASN A 145 -1.195 11.739 13.994 1.00 71.20 H new ATOM 1610 N TRP A 146 3.109 13.919 16.029 1.00 2.44 N ATOM 1611 CA TRP A 146 2.841 14.448 17.319 1.00 13.30 C ATOM 1612 C TRP A 146 2.615 15.905 17.243 1.00 64.32 C ATOM 1613 O TRP A 146 2.774 16.520 16.180 1.00 41.43 O ATOM 1614 CB TRP A 146 3.981 14.137 18.311 1.00 43.40 C ATOM 1615 CG TRP A 146 5.364 14.492 17.829 1.00 52.10 C ATOM 1616 CD1 TRP A 146 5.911 15.737 17.694 1.00 14.21 C ATOM 1617 CD2 TRP A 146 6.375 13.568 17.452 1.00 52.51 C ATOM 1618 NE1 TRP A 146 7.196 15.633 17.223 1.00 24.24 N ATOM 1619 CE2 TRP A 146 7.507 14.309 17.076 1.00 53.43 C ATOM 1620 CE3 TRP A 146 6.423 12.184 17.392 1.00 71.11 C ATOM 1621 CZ2 TRP A 146 8.683 13.702 16.646 1.00 75.42 C ATOM 1622 CZ3 TRP A 146 7.585 11.576 16.969 1.00 32.23 C ATOM 1623 CH2 TRP A 146 8.702 12.335 16.601 1.00 20.03 C ATOM 0 H TRP A 146 3.397 14.613 15.340 1.00 2.44 H new ATOM 0 HA TRP A 146 1.936 13.966 17.689 1.00 13.30 H new ATOM 0 HB2 TRP A 146 3.789 14.673 19.241 1.00 43.40 H new ATOM 0 HB3 TRP A 146 3.957 13.073 18.546 1.00 43.40 H new ATOM 0 HD1 TRP A 146 5.407 16.664 17.924 1.00 14.21 H new ATOM 0 HE1 TRP A 146 7.817 16.415 17.016 1.00 24.24 H new ATOM 0 HE3 TRP A 146 5.564 11.592 17.672 1.00 71.11 H new ATOM 0 HZ2 TRP A 146 9.545 14.286 16.360 1.00 75.42 H new ATOM 0 HZ3 TRP A 146 7.635 10.498 16.921 1.00 32.23 H new ATOM 0 HH2 TRP A 146 9.599 11.830 16.274 1.00 20.03 H new ATOM 1634 N ASP A 147 2.274 16.462 18.351 1.00 13.31 N ATOM 1635 CA ASP A 147 2.088 17.866 18.448 1.00 33.24 C ATOM 1636 C ASP A 147 3.172 18.362 19.351 1.00 42.14 C ATOM 1637 O ASP A 147 3.351 17.826 20.463 1.00 1.42 O ATOM 1638 CB ASP A 147 0.703 18.221 19.001 1.00 63.41 C ATOM 1639 CG ASP A 147 0.339 19.668 18.738 1.00 62.12 C ATOM 1640 OD1 ASP A 147 -0.108 19.971 17.605 1.00 41.22 O ATOM 1641 OD2 ASP A 147 0.483 20.528 19.632 1.00 15.50 O ATOM 0 H ASP A 147 2.115 15.953 19.221 1.00 13.31 H new ATOM 0 HA ASP A 147 2.140 18.333 17.465 1.00 33.24 H new ATOM 0 HB2 ASP A 147 -0.045 17.571 18.548 1.00 63.41 H new ATOM 0 HB3 ASP A 147 0.682 18.031 20.074 1.00 63.41 H new ATOM 1646 N ASN A 148 3.951 19.274 18.836 1.00 14.23 N ATOM 1647 CA ASN A 148 5.079 19.870 19.517 1.00 63.23 C ATOM 1648 C ASN A 148 4.971 21.369 19.392 1.00 73.02 C ATOM 1649 O ASN A 148 5.368 21.920 18.354 1.00 14.21 O ATOM 1650 CB ASN A 148 6.394 19.375 18.883 1.00 53.22 C ATOM 1651 CG ASN A 148 7.651 20.104 19.365 1.00 65.11 C ATOM 1652 OD1 ASN A 148 8.605 20.259 18.606 1.00 45.12 O ATOM 1653 ND2 ASN A 148 7.684 20.542 20.597 1.00 11.43 N ATOM 1654 OXT ASN A 148 4.438 22.007 20.300 1.00 0.00 O ATOM 0 H ASN A 148 3.816 19.640 17.893 1.00 14.23 H new ATOM 0 HA ASN A 148 5.077 19.586 20.569 1.00 63.23 H new ATOM 0 HB2 ASN A 148 6.505 18.311 19.093 1.00 53.22 H new ATOM 0 HB3 ASN A 148 6.322 19.481 17.801 1.00 53.22 H new ATOM 0 HD21 ASN A 148 8.513 21.023 20.945 1.00 11.43 H new ATOM 0 HD22 ASN A 148 6.881 20.402 21.210 1.00 11.43 H new