USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 693 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 83 LYS NZ :NH3+ -145:sc= -3.69! (180deg=-5.67!) USER MOD Set 1.2: A 84 TYR OH : rot 30:sc= 0.134 USER MOD Set 2.1: A 29 SER OG : rot -65:sc= 1.86 USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.65 K(o=2.5,f=-10!) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.834 K(o=0.77,f=-0.15) USER MOD Set 3.2: A 70 MET CE :methyl 148:sc= -0.064 (180deg=-1.14) USER MOD Single : A 1 SER N :NH3+ 146:sc= 0.687 (180deg=0.19) USER MOD Single : A 1 SER OG : rot 180:sc= 0.221 USER MOD Single : A 7 LYS NZ :NH3+ -101:sc= -4.27! (180deg=-7.43!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -4.27! (180deg=-5.09!) USER MOD Single : A 17 THR OG1 : rot 104:sc= 0.997 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.323) USER MOD Single : A 24 MET CE :methyl 178:sc= 0 (180deg=-0.0048) USER MOD Single : A 28 TYR OH : rot -77:sc= 0.3! USER MOD Single : A 31 TYR OH : rot -32:sc= 0.892 USER MOD Single : A 32 LYS NZ :NH3+ -104:sc= 0.39 (180deg=-2.21!) USER MOD Single : A 33 GLN : amide:sc= -1.21! C(o=-1.2!,f=-11!) USER MOD Single : A 35 THR OG1 : rot -96:sc= 1.06 USER MOD Single : A 40 ASN : amide:sc= 1 K(o=1,f=0.058) USER MOD Single : A 41 THR OG1 : rot -149:sc= -1.3! USER MOD Single : A 46 MET CE :methyl -121:sc=-0.00953 (180deg=-0.289) USER MOD Single : A 50 LYS NZ :NH3+ -108:sc= 1.62 (180deg=-3.34!) USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= 0.661 (180deg=-1.14) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc=-0.00512 (180deg=-0.108) USER MOD Single : A 59 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= 2.26 (180deg=0.503) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= -1.7! (180deg=-2.97!) USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= -7.95! (180deg=-9.63!) USER MOD Single : A 73 TYR OH : rot 79:sc= -2.04 USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= -0.54 (180deg=-3.19!) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= -1.41! (180deg=-1.47!) USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= -0.226 (180deg=-1.33!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.007 0.744 -3.871 1.00 3.30 N ATOM 2 CA SER A 1 3.258 1.609 -4.847 1.00 2.58 C ATOM 3 C SER A 1 4.109 2.847 -5.196 1.00 1.94 C ATOM 4 O SER A 1 4.530 2.979 -6.323 1.00 1.82 O ATOM 5 CB SER A 1 1.913 2.015 -4.198 1.00 3.46 C ATOM 6 OG SER A 1 1.594 0.821 -3.483 1.00 4.25 O ATOM 0 H1 SER A 1 3.334 0.292 -3.220 1.00 3.30 H new ATOM 0 H2 SER A 1 4.533 0.012 -4.389 1.00 3.30 H new ATOM 0 H3 SER A 1 4.673 1.330 -3.328 1.00 3.30 H new ATOM 0 HA SER A 1 3.059 1.070 -5.773 1.00 2.58 H new ATOM 0 HB2 SER A 1 2.015 2.877 -3.539 1.00 3.46 H new ATOM 0 HB3 SER A 1 1.155 2.268 -4.940 1.00 3.46 H new ATOM 0 HG SER A 1 0.744 0.940 -3.011 1.00 4.25 H new ATOM 14 N GLN A 2 4.337 3.706 -4.234 1.00 1.73 N ATOM 15 CA GLN A 2 5.162 4.950 -4.445 1.00 1.09 C ATOM 16 C GLN A 2 6.226 4.963 -3.311 1.00 0.81 C ATOM 17 O GLN A 2 6.285 4.009 -2.558 1.00 1.04 O ATOM 18 CB GLN A 2 4.191 6.166 -4.458 1.00 0.93 C ATOM 19 CG GLN A 2 4.923 7.489 -4.917 1.00 0.48 C ATOM 20 CD GLN A 2 3.980 8.333 -5.779 1.00 0.93 C ATOM 21 OE1 GLN A 2 3.553 7.898 -6.825 1.00 1.52 O ATOM 22 NE2 GLN A 2 3.610 9.522 -5.424 1.00 0.91 N ATOM 0 H GLN A 2 3.979 3.599 -3.285 1.00 1.73 H new ATOM 0 HA GLN A 2 5.698 4.989 -5.393 1.00 1.09 H new ATOM 0 HB2 GLN A 2 3.357 5.959 -5.129 1.00 0.93 H new ATOM 0 HB3 GLN A 2 3.771 6.308 -3.462 1.00 0.93 H new ATOM 0 HG2 GLN A 2 5.242 8.060 -4.045 1.00 0.48 H new ATOM 0 HG3 GLN A 2 5.822 7.241 -5.482 1.00 0.48 H new ATOM 0 HE21 GLN A 2 3.949 9.922 -4.549 1.00 0.91 H new ATOM 0 HE22 GLN A 2 2.979 10.059 -6.019 1.00 0.91 H new ATOM 31 N ALA A 3 7.021 5.989 -3.198 1.00 0.47 N ATOM 32 CA ALA A 3 8.057 6.014 -2.105 1.00 0.32 C ATOM 33 C ALA A 3 7.494 6.821 -0.925 1.00 0.43 C ATOM 34 O ALA A 3 6.288 6.886 -0.775 1.00 0.45 O ATOM 35 CB ALA A 3 9.322 6.672 -2.684 1.00 0.32 C ATOM 0 H ALA A 3 7.007 6.809 -3.805 1.00 0.47 H new ATOM 0 HA ALA A 3 8.305 5.014 -1.748 1.00 0.32 H new ATOM 0 HB1 ALA A 3 10.097 6.708 -1.918 1.00 0.32 H new ATOM 0 HB2 ALA A 3 9.678 6.090 -3.534 1.00 0.32 H new ATOM 0 HB3 ALA A 3 9.088 7.685 -3.011 1.00 0.32 H new ATOM 41 N GLU A 4 8.324 7.427 -0.109 1.00 0.60 N ATOM 42 CA GLU A 4 7.734 8.202 1.020 1.00 0.79 C ATOM 43 C GLU A 4 7.734 9.627 0.517 1.00 0.73 C ATOM 44 O GLU A 4 7.246 10.494 1.172 1.00 1.00 O ATOM 45 CB GLU A 4 8.543 8.148 2.333 1.00 1.11 C ATOM 46 CG GLU A 4 9.935 8.761 2.179 1.00 1.53 C ATOM 47 CD GLU A 4 10.421 9.283 3.537 1.00 2.97 C ATOM 48 OE1 GLU A 4 10.940 8.472 4.285 1.00 2.95 O ATOM 49 OE2 GLU A 4 10.224 10.473 3.720 1.00 4.18 O ATOM 0 H GLU A 4 9.342 7.420 -0.172 1.00 0.60 H new ATOM 0 HA GLU A 4 6.757 7.790 1.274 1.00 0.79 H new ATOM 0 HB2 GLU A 4 7.999 8.678 3.115 1.00 1.11 H new ATOM 0 HB3 GLU A 4 8.638 7.112 2.657 1.00 1.11 H new ATOM 0 HG2 GLU A 4 10.631 8.016 1.794 1.00 1.53 H new ATOM 0 HG3 GLU A 4 9.907 9.575 1.454 1.00 1.53 H new ATOM 56 N PHE A 5 8.287 9.849 -0.630 1.00 0.47 N ATOM 57 CA PHE A 5 8.373 11.186 -1.260 1.00 0.39 C ATOM 58 C PHE A 5 7.295 12.195 -0.814 1.00 0.45 C ATOM 59 O PHE A 5 7.594 13.268 -0.350 1.00 0.44 O ATOM 60 CB PHE A 5 8.221 10.861 -2.733 1.00 0.38 C ATOM 61 CG PHE A 5 8.086 12.126 -3.563 1.00 0.23 C ATOM 62 CD1 PHE A 5 9.161 12.871 -3.972 1.00 0.81 C ATOM 63 CD2 PHE A 5 6.831 12.531 -3.898 1.00 1.01 C ATOM 64 CE1 PHE A 5 8.997 14.020 -4.711 1.00 0.90 C ATOM 65 CE2 PHE A 5 6.626 13.653 -4.627 1.00 0.96 C ATOM 66 CZ PHE A 5 7.703 14.403 -5.037 1.00 0.15 C ATOM 0 H PHE A 5 8.710 9.110 -1.192 1.00 0.47 H new ATOM 0 HA PHE A 5 9.300 11.687 -0.982 1.00 0.39 H new ATOM 0 HB2 PHE A 5 9.085 10.290 -3.073 1.00 0.38 H new ATOM 0 HB3 PHE A 5 7.344 10.231 -2.881 1.00 0.38 H new ATOM 0 HD1 PHE A 5 10.158 12.550 -3.709 1.00 0.81 H new ATOM 0 HD2 PHE A 5 5.982 11.946 -3.576 1.00 1.01 H new ATOM 0 HE1 PHE A 5 9.848 14.605 -5.027 1.00 0.90 H new ATOM 0 HE2 PHE A 5 5.622 13.957 -4.885 1.00 0.96 H new ATOM 0 HZ PHE A 5 7.541 15.299 -5.618 1.00 0.15 H new ATOM 76 N ASP A 6 6.059 11.811 -0.978 1.00 0.53 N ATOM 77 CA ASP A 6 4.932 12.691 -0.590 1.00 0.59 C ATOM 78 C ASP A 6 4.962 12.963 0.870 1.00 0.74 C ATOM 79 O ASP A 6 4.636 14.019 1.348 1.00 0.83 O ATOM 80 CB ASP A 6 3.724 12.054 -1.062 1.00 0.55 C ATOM 81 CG ASP A 6 3.707 12.261 -2.548 1.00 0.14 C ATOM 82 OD1 ASP A 6 3.570 13.411 -2.939 1.00 1.31 O ATOM 83 OD2 ASP A 6 3.849 11.249 -3.203 1.00 1.37 O ATOM 0 H ASP A 6 5.783 10.911 -1.370 1.00 0.53 H new ATOM 0 HA ASP A 6 4.996 13.678 -1.047 1.00 0.59 H new ATOM 0 HB2 ASP A 6 3.719 10.992 -0.815 1.00 0.55 H new ATOM 0 HB3 ASP A 6 2.842 12.494 -0.596 1.00 0.55 H new ATOM 88 N LYS A 7 5.372 11.946 1.544 1.00 0.79 N ATOM 89 CA LYS A 7 5.488 12.033 3.001 1.00 0.88 C ATOM 90 C LYS A 7 6.623 13.017 3.215 1.00 0.71 C ATOM 91 O LYS A 7 6.456 13.995 3.908 1.00 0.86 O ATOM 92 CB LYS A 7 5.855 10.674 3.584 1.00 0.95 C ATOM 93 CG LYS A 7 5.745 10.647 5.120 1.00 1.00 C ATOM 94 CD LYS A 7 4.288 10.376 5.596 1.00 2.07 C ATOM 95 CE LYS A 7 3.361 11.570 5.390 1.00 3.33 C ATOM 96 NZ LYS A 7 2.671 11.536 4.054 1.00 4.36 N ATOM 0 H LYS A 7 5.635 11.047 1.140 1.00 0.79 H new ATOM 0 HA LYS A 7 4.560 12.342 3.482 1.00 0.88 H new ATOM 0 HB2 LYS A 7 5.201 9.911 3.162 1.00 0.95 H new ATOM 0 HB3 LYS A 7 6.873 10.418 3.290 1.00 0.95 H new ATOM 0 HG2 LYS A 7 6.405 9.876 5.517 1.00 1.00 H new ATOM 0 HG3 LYS A 7 6.087 11.599 5.525 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.890 9.517 5.057 1.00 2.07 H new ATOM 0 HD3 LYS A 7 4.301 10.111 6.653 1.00 2.07 H new ATOM 0 HE2 LYS A 7 2.612 11.586 6.182 1.00 3.33 H new ATOM 0 HE3 LYS A 7 3.936 12.492 5.476 1.00 3.33 H new ATOM 0 HZ1 LYS A 7 3.151 12.185 3.399 1.00 4.36 H new ATOM 0 HZ2 LYS A 7 2.705 10.570 3.670 1.00 4.36 H new ATOM 0 HZ3 LYS A 7 1.680 11.829 4.168 1.00 4.36 H new ATOM 110 N ALA A 8 7.732 12.737 2.591 1.00 0.48 N ATOM 111 CA ALA A 8 8.932 13.595 2.706 1.00 0.28 C ATOM 112 C ALA A 8 8.441 15.047 2.566 1.00 0.36 C ATOM 113 O ALA A 8 8.684 15.891 3.399 1.00 0.44 O ATOM 114 CB ALA A 8 9.920 13.086 1.651 1.00 0.19 C ATOM 0 H ALA A 8 7.855 11.923 1.989 1.00 0.48 H new ATOM 0 HA ALA A 8 9.469 13.560 3.654 1.00 0.28 H new ATOM 0 HB1 ALA A 8 10.831 13.683 1.687 1.00 0.19 H new ATOM 0 HB2 ALA A 8 10.162 12.043 1.853 1.00 0.19 H new ATOM 0 HB3 ALA A 8 9.471 13.169 0.661 1.00 0.19 H new ATOM 120 N ALA A 9 7.732 15.267 1.506 1.00 0.41 N ATOM 121 CA ALA A 9 7.128 16.589 1.146 1.00 0.53 C ATOM 122 C ALA A 9 6.183 17.116 2.256 1.00 0.65 C ATOM 123 O ALA A 9 6.346 18.187 2.797 1.00 0.66 O ATOM 124 CB ALA A 9 6.302 16.327 -0.148 1.00 0.61 C ATOM 0 H ALA A 9 7.529 14.537 0.823 1.00 0.41 H new ATOM 0 HA ALA A 9 7.906 17.340 1.013 1.00 0.53 H new ATOM 0 HB1 ALA A 9 5.829 17.254 -0.472 1.00 0.61 H new ATOM 0 HB2 ALA A 9 6.963 15.963 -0.934 1.00 0.61 H new ATOM 0 HB3 ALA A 9 5.535 15.580 0.055 1.00 0.61 H new ATOM 130 N GLU A 10 5.205 16.330 2.572 1.00 0.82 N ATOM 131 CA GLU A 10 4.184 16.646 3.611 1.00 1.01 C ATOM 132 C GLU A 10 4.874 17.063 4.926 1.00 0.92 C ATOM 133 O GLU A 10 4.468 17.989 5.606 1.00 0.93 O ATOM 134 CB GLU A 10 3.431 15.315 3.783 1.00 1.09 C ATOM 135 CG GLU A 10 2.013 15.469 4.362 1.00 1.43 C ATOM 136 CD GLU A 10 1.507 14.086 4.752 1.00 1.10 C ATOM 137 OE1 GLU A 10 0.936 13.406 3.913 1.00 1.74 O ATOM 138 OE2 GLU A 10 1.745 13.749 5.893 1.00 1.20 O ATOM 0 H GLU A 10 5.060 15.424 2.127 1.00 0.82 H new ATOM 0 HA GLU A 10 3.526 17.471 3.338 1.00 1.01 H new ATOM 0 HB2 GLU A 10 3.365 14.819 2.815 1.00 1.09 H new ATOM 0 HB3 GLU A 10 4.011 14.663 4.437 1.00 1.09 H new ATOM 0 HG2 GLU A 10 2.026 16.128 5.230 1.00 1.43 H new ATOM 0 HG3 GLU A 10 1.349 15.924 3.627 1.00 1.43 H new ATOM 145 N GLU A 11 5.926 16.348 5.230 1.00 0.83 N ATOM 146 CA GLU A 11 6.741 16.559 6.441 1.00 0.73 C ATOM 147 C GLU A 11 7.585 17.804 6.408 1.00 0.59 C ATOM 148 O GLU A 11 7.549 18.640 7.284 1.00 0.56 O ATOM 149 CB GLU A 11 7.711 15.388 6.537 1.00 0.69 C ATOM 150 CG GLU A 11 7.176 13.997 6.984 1.00 0.68 C ATOM 151 CD GLU A 11 8.394 13.078 7.212 1.00 0.68 C ATOM 152 OE1 GLU A 11 9.055 12.671 6.269 1.00 1.50 O ATOM 153 OE2 GLU A 11 8.666 12.807 8.369 1.00 0.61 O ATOM 0 H GLU A 11 6.263 15.584 4.644 1.00 0.83 H new ATOM 0 HA GLU A 11 6.049 16.649 7.278 1.00 0.73 H new ATOM 0 HB2 GLU A 11 8.173 15.263 5.558 1.00 0.69 H new ATOM 0 HB3 GLU A 11 8.503 15.673 7.229 1.00 0.69 H new ATOM 0 HG2 GLU A 11 6.589 14.088 7.898 1.00 0.68 H new ATOM 0 HG3 GLU A 11 6.518 13.578 6.223 1.00 0.68 H new ATOM 160 N VAL A 12 8.360 17.909 5.378 1.00 0.54 N ATOM 161 CA VAL A 12 9.250 19.077 5.218 1.00 0.49 C ATOM 162 C VAL A 12 8.534 20.404 5.579 1.00 0.72 C ATOM 163 O VAL A 12 9.059 21.254 6.270 1.00 0.76 O ATOM 164 CB VAL A 12 9.828 18.930 3.802 1.00 0.54 C ATOM 165 CG1 VAL A 12 9.105 19.703 2.746 1.00 0.69 C ATOM 166 CG2 VAL A 12 11.316 19.139 3.772 1.00 0.39 C ATOM 0 H VAL A 12 8.415 17.222 4.626 1.00 0.54 H new ATOM 0 HA VAL A 12 10.083 19.114 5.920 1.00 0.49 H new ATOM 0 HB VAL A 12 9.648 17.890 3.532 1.00 0.54 H new ATOM 0 HG11 VAL A 12 9.585 19.537 1.781 1.00 0.69 H new ATOM 0 HG12 VAL A 12 8.068 19.371 2.698 1.00 0.69 H new ATOM 0 HG13 VAL A 12 9.135 20.765 2.988 1.00 0.69 H new ATOM 0 HG21 VAL A 12 11.679 19.025 2.751 1.00 0.39 H new ATOM 0 HG22 VAL A 12 11.550 20.141 4.131 1.00 0.39 H new ATOM 0 HG23 VAL A 12 11.800 18.402 4.413 1.00 0.39 H new ATOM 176 N LYS A 13 7.333 20.530 5.079 1.00 0.92 N ATOM 177 CA LYS A 13 6.457 21.729 5.315 1.00 1.11 C ATOM 178 C LYS A 13 6.097 22.031 6.794 1.00 1.13 C ATOM 179 O LYS A 13 5.698 23.132 7.135 1.00 1.44 O ATOM 180 CB LYS A 13 5.131 21.473 4.550 1.00 1.22 C ATOM 181 CG LYS A 13 5.153 22.185 3.192 1.00 1.96 C ATOM 182 CD LYS A 13 5.221 23.745 3.347 1.00 3.77 C ATOM 183 CE LYS A 13 4.161 24.245 4.338 1.00 5.08 C ATOM 184 NZ LYS A 13 4.140 25.741 4.288 1.00 6.84 N ATOM 0 H LYS A 13 6.900 19.820 4.489 1.00 0.92 H new ATOM 0 HA LYS A 13 7.025 22.594 4.973 1.00 1.11 H new ATOM 0 HB2 LYS A 13 4.988 20.402 4.404 1.00 1.22 H new ATOM 0 HB3 LYS A 13 4.288 21.829 5.141 1.00 1.22 H new ATOM 0 HG2 LYS A 13 6.012 21.840 2.616 1.00 1.96 H new ATOM 0 HG3 LYS A 13 4.261 21.915 2.627 1.00 1.96 H new ATOM 0 HD2 LYS A 13 6.213 24.037 3.692 1.00 3.77 H new ATOM 0 HD3 LYS A 13 5.069 24.218 2.377 1.00 3.77 H new ATOM 0 HE2 LYS A 13 3.181 23.843 4.081 1.00 5.08 H new ATOM 0 HE3 LYS A 13 4.392 23.902 5.346 1.00 5.08 H new ATOM 0 HZ1 LYS A 13 3.427 26.101 4.954 1.00 6.84 H new ATOM 0 HZ2 LYS A 13 5.076 26.110 4.551 1.00 6.84 H new ATOM 0 HZ3 LYS A 13 3.903 26.053 3.325 1.00 6.84 H new ATOM 198 N HIS A 14 6.255 21.008 7.583 1.00 0.77 N ATOM 199 CA HIS A 14 5.979 21.013 9.055 1.00 0.68 C ATOM 200 C HIS A 14 7.192 21.150 9.940 1.00 0.60 C ATOM 201 O HIS A 14 7.072 21.705 11.014 1.00 0.76 O ATOM 202 CB HIS A 14 5.484 19.607 9.490 1.00 0.49 C ATOM 203 CG HIS A 14 4.029 19.428 9.114 1.00 0.74 C ATOM 204 ND1 HIS A 14 3.586 18.936 8.009 1.00 1.35 N ATOM 205 CD2 HIS A 14 2.899 19.746 9.840 1.00 0.94 C ATOM 206 CE1 HIS A 14 2.286 18.944 8.036 1.00 1.94 C ATOM 207 NE2 HIS A 14 1.819 19.438 9.153 1.00 1.70 N ATOM 0 H HIS A 14 6.587 20.105 7.245 1.00 0.77 H new ATOM 0 HA HIS A 14 5.292 21.851 9.174 1.00 0.68 H new ATOM 0 HB2 HIS A 14 6.089 18.836 9.012 1.00 0.49 H new ATOM 0 HB3 HIS A 14 5.607 19.487 10.566 1.00 0.49 H new ATOM 0 HD1 HIS A 14 4.161 18.596 7.238 1.00 1.35 H new ATOM 0 HD2 HIS A 14 2.901 20.184 10.827 1.00 0.94 H new ATOM 0 HE1 HIS A 14 1.664 18.584 7.230 1.00 1.94 H new ATOM 215 N LEU A 15 8.292 20.624 9.472 1.00 0.45 N ATOM 216 CA LEU A 15 9.550 20.679 10.245 1.00 0.48 C ATOM 217 C LEU A 15 9.671 21.667 11.400 1.00 0.74 C ATOM 218 O LEU A 15 9.433 22.855 11.318 1.00 0.81 O ATOM 219 CB LEU A 15 10.686 20.885 9.304 1.00 0.47 C ATOM 220 CG LEU A 15 10.768 19.709 8.345 1.00 0.34 C ATOM 221 CD1 LEU A 15 11.761 20.078 7.324 1.00 0.23 C ATOM 222 CD2 LEU A 15 11.206 18.426 8.998 1.00 0.46 C ATOM 0 H LEU A 15 8.365 20.152 8.571 1.00 0.45 H new ATOM 0 HA LEU A 15 9.562 19.716 10.756 1.00 0.48 H new ATOM 0 HB2 LEU A 15 10.548 21.812 8.748 1.00 0.47 H new ATOM 0 HB3 LEU A 15 11.619 20.981 9.859 1.00 0.47 H new ATOM 0 HG LEU A 15 9.773 19.521 7.940 1.00 0.34 H new ATOM 0 HD11 LEU A 15 11.862 19.266 6.604 1.00 0.23 H new ATOM 0 HD12 LEU A 15 11.434 20.981 6.808 1.00 0.23 H new ATOM 0 HD13 LEU A 15 12.723 20.261 7.802 1.00 0.23 H new ATOM 0 HD21 LEU A 15 11.241 17.632 8.252 1.00 0.46 H new ATOM 0 HD22 LEU A 15 12.196 18.559 9.434 1.00 0.46 H new ATOM 0 HD23 LEU A 15 10.498 18.157 9.782 1.00 0.46 H new ATOM 234 N LYS A 16 10.055 21.048 12.472 1.00 0.95 N ATOM 235 CA LYS A 16 10.289 21.715 13.795 1.00 1.27 C ATOM 236 C LYS A 16 10.923 23.122 13.604 1.00 1.31 C ATOM 237 O LYS A 16 10.604 24.095 14.259 1.00 1.44 O ATOM 238 CB LYS A 16 11.160 20.685 14.546 1.00 1.46 C ATOM 239 CG LYS A 16 11.593 21.149 15.940 1.00 1.68 C ATOM 240 CD LYS A 16 12.199 19.936 16.733 1.00 2.25 C ATOM 241 CE LYS A 16 11.107 18.997 17.330 1.00 1.80 C ATOM 242 NZ LYS A 16 10.574 18.038 16.311 1.00 1.70 N ATOM 0 H LYS A 16 10.229 20.043 12.493 1.00 0.95 H new ATOM 0 HA LYS A 16 9.389 21.943 14.367 1.00 1.27 H new ATOM 0 HB2 LYS A 16 10.605 19.751 14.639 1.00 1.46 H new ATOM 0 HB3 LYS A 16 12.048 20.470 13.952 1.00 1.46 H new ATOM 0 HG2 LYS A 16 12.331 21.947 15.856 1.00 1.68 H new ATOM 0 HG3 LYS A 16 10.739 21.559 16.479 1.00 1.68 H new ATOM 0 HD2 LYS A 16 12.844 19.360 16.069 1.00 2.25 H new ATOM 0 HD3 LYS A 16 12.828 20.313 17.540 1.00 2.25 H new ATOM 0 HE2 LYS A 16 11.526 18.440 18.168 1.00 1.80 H new ATOM 0 HE3 LYS A 16 10.288 19.598 17.725 1.00 1.80 H new ATOM 0 HZ1 LYS A 16 10.184 17.202 16.791 1.00 1.70 H new ATOM 0 HZ2 LYS A 16 9.824 18.500 15.758 1.00 1.70 H new ATOM 0 HZ3 LYS A 16 11.343 17.745 15.675 1.00 1.70 H new ATOM 256 N THR A 17 11.820 23.136 12.663 1.00 1.21 N ATOM 257 CA THR A 17 12.589 24.371 12.266 1.00 1.26 C ATOM 258 C THR A 17 12.132 24.820 10.873 1.00 1.10 C ATOM 259 O THR A 17 11.397 24.134 10.199 1.00 0.88 O ATOM 260 CB THR A 17 14.043 23.998 12.156 1.00 1.28 C ATOM 261 OG1 THR A 17 14.356 23.494 13.436 1.00 1.31 O ATOM 262 CG2 THR A 17 15.030 25.155 12.048 1.00 1.37 C ATOM 0 H THR A 17 12.070 22.309 12.122 1.00 1.21 H new ATOM 0 HA THR A 17 12.428 25.161 12.999 1.00 1.26 H new ATOM 0 HB THR A 17 14.137 23.367 11.272 1.00 1.28 H new ATOM 0 HG1 THR A 17 14.402 22.516 13.400 1.00 1.31 H new ATOM 0 HG21 THR A 17 16.044 24.762 11.974 1.00 1.37 H new ATOM 0 HG22 THR A 17 14.804 25.745 11.160 1.00 1.37 H new ATOM 0 HG23 THR A 17 14.949 25.786 12.933 1.00 1.37 H new ATOM 270 N LYS A 18 12.595 25.958 10.455 1.00 1.24 N ATOM 271 CA LYS A 18 12.197 26.492 9.112 1.00 1.12 C ATOM 272 C LYS A 18 13.236 26.285 7.976 1.00 0.90 C ATOM 273 O LYS A 18 14.209 27.016 7.917 1.00 1.02 O ATOM 274 CB LYS A 18 11.828 27.958 9.407 1.00 1.28 C ATOM 275 CG LYS A 18 10.775 27.900 10.561 1.00 2.37 C ATOM 276 CD LYS A 18 10.209 29.282 10.896 1.00 2.71 C ATOM 277 CE LYS A 18 9.558 29.281 12.296 1.00 4.15 C ATOM 278 NZ LYS A 18 8.683 28.069 12.461 1.00 4.50 N ATOM 0 H LYS A 18 13.236 26.551 10.982 1.00 1.24 H new ATOM 0 HA LYS A 18 11.362 25.937 8.684 1.00 1.12 H new ATOM 0 HB2 LYS A 18 12.706 28.531 9.705 1.00 1.28 H new ATOM 0 HB3 LYS A 18 11.415 28.444 8.523 1.00 1.28 H new ATOM 0 HG2 LYS A 18 9.960 27.235 10.274 1.00 2.37 H new ATOM 0 HG3 LYS A 18 11.237 27.473 11.451 1.00 2.37 H new ATOM 0 HD2 LYS A 18 11.006 30.025 10.861 1.00 2.71 H new ATOM 0 HD3 LYS A 18 9.471 29.570 10.147 1.00 2.71 H new ATOM 0 HE2 LYS A 18 10.331 29.288 13.064 1.00 4.15 H new ATOM 0 HE3 LYS A 18 8.967 30.187 12.431 1.00 4.15 H new ATOM 0 HZ1 LYS A 18 8.037 28.214 13.263 1.00 4.50 H new ATOM 0 HZ2 LYS A 18 8.129 27.920 11.593 1.00 4.50 H new ATOM 0 HZ3 LYS A 18 9.277 27.234 12.641 1.00 4.50 H new ATOM 292 N PRO A 19 13.057 25.314 7.095 1.00 0.63 N ATOM 293 CA PRO A 19 14.042 25.116 6.004 1.00 0.47 C ATOM 294 C PRO A 19 14.205 26.411 5.202 1.00 0.22 C ATOM 295 O PRO A 19 13.242 27.066 4.844 1.00 0.34 O ATOM 296 CB PRO A 19 13.516 23.973 5.197 1.00 0.46 C ATOM 297 CG PRO A 19 12.662 23.191 6.233 1.00 0.53 C ATOM 298 CD PRO A 19 11.963 24.306 7.030 1.00 0.51 C ATOM 0 HA PRO A 19 15.043 24.880 6.365 1.00 0.47 H new ATOM 0 HB2 PRO A 19 12.917 24.315 4.353 1.00 0.46 H new ATOM 0 HB3 PRO A 19 14.320 23.360 4.790 1.00 0.46 H new ATOM 0 HG2 PRO A 19 11.942 22.533 5.746 1.00 0.53 H new ATOM 0 HG3 PRO A 19 13.282 22.566 6.875 1.00 0.53 H new ATOM 0 HD2 PRO A 19 11.077 24.687 6.522 1.00 0.51 H new ATOM 0 HD3 PRO A 19 11.645 23.974 8.018 1.00 0.51 H new ATOM 306 N ALA A 20 15.440 26.728 4.933 1.00 0.11 N ATOM 307 CA ALA A 20 15.733 27.978 4.163 1.00 0.17 C ATOM 308 C ALA A 20 15.282 27.806 2.719 1.00 0.13 C ATOM 309 O ALA A 20 15.140 26.676 2.273 1.00 0.07 O ATOM 310 CB ALA A 20 17.270 28.191 4.135 1.00 0.35 C ATOM 0 H ALA A 20 16.257 26.183 5.209 1.00 0.11 H new ATOM 0 HA ALA A 20 15.217 28.817 4.631 1.00 0.17 H new ATOM 0 HB1 ALA A 20 17.501 29.098 3.577 1.00 0.35 H new ATOM 0 HB2 ALA A 20 17.643 28.287 5.155 1.00 0.35 H new ATOM 0 HB3 ALA A 20 17.747 27.337 3.653 1.00 0.35 H new ATOM 316 N ASP A 21 15.062 28.912 2.043 1.00 0.25 N ATOM 317 CA ASP A 21 14.630 28.844 0.618 1.00 0.26 C ATOM 318 C ASP A 21 15.359 27.670 -0.057 1.00 0.20 C ATOM 319 O ASP A 21 14.711 26.712 -0.399 1.00 0.23 O ATOM 320 CB ASP A 21 14.883 30.231 -0.032 1.00 0.30 C ATOM 321 CG ASP A 21 13.767 31.234 0.321 1.00 0.80 C ATOM 322 OD1 ASP A 21 13.481 31.319 1.506 1.00 1.90 O ATOM 323 OD2 ASP A 21 13.270 31.859 -0.606 1.00 1.18 O ATOM 0 H ASP A 21 15.164 29.854 2.420 1.00 0.25 H new ATOM 0 HA ASP A 21 13.565 28.642 0.505 1.00 0.26 H new ATOM 0 HB2 ASP A 21 15.844 30.621 0.304 1.00 0.30 H new ATOM 0 HB3 ASP A 21 14.945 30.120 -1.115 1.00 0.30 H new ATOM 328 N GLU A 22 16.648 27.721 -0.235 1.00 0.21 N ATOM 329 CA GLU A 22 17.398 26.596 -0.885 1.00 0.20 C ATOM 330 C GLU A 22 16.973 25.139 -0.467 1.00 0.21 C ATOM 331 O GLU A 22 16.893 24.264 -1.305 1.00 0.27 O ATOM 332 CB GLU A 22 18.852 26.955 -0.644 1.00 0.19 C ATOM 333 CG GLU A 22 19.241 28.031 -1.718 1.00 0.34 C ATOM 334 CD GLU A 22 18.148 29.059 -2.057 1.00 2.14 C ATOM 335 OE1 GLU A 22 17.959 29.981 -1.285 1.00 2.70 O ATOM 336 OE2 GLU A 22 17.555 28.828 -3.093 1.00 3.27 O ATOM 0 H GLU A 22 17.231 28.509 0.047 1.00 0.21 H new ATOM 0 HA GLU A 22 17.164 26.520 -1.947 1.00 0.20 H new ATOM 0 HB2 GLU A 22 18.991 27.347 0.363 1.00 0.19 H new ATOM 0 HB3 GLU A 22 19.487 26.074 -0.733 1.00 0.19 H new ATOM 0 HG2 GLU A 22 20.122 28.567 -1.366 1.00 0.34 H new ATOM 0 HG3 GLU A 22 19.527 27.516 -2.635 1.00 0.34 H new ATOM 343 N GLU A 23 16.683 24.878 0.774 1.00 0.34 N ATOM 344 CA GLU A 23 16.275 23.513 1.210 1.00 0.33 C ATOM 345 C GLU A 23 14.914 23.257 0.546 1.00 0.31 C ATOM 346 O GLU A 23 14.681 22.300 -0.175 1.00 0.32 O ATOM 347 CB GLU A 23 16.088 23.637 2.740 1.00 0.60 C ATOM 348 CG GLU A 23 17.218 24.505 3.373 1.00 1.30 C ATOM 349 CD GLU A 23 18.602 23.939 3.129 1.00 1.05 C ATOM 350 OE1 GLU A 23 18.732 22.734 3.197 1.00 1.69 O ATOM 351 OE2 GLU A 23 19.487 24.748 2.925 1.00 1.77 O ATOM 0 H GLU A 23 16.712 25.569 1.524 1.00 0.34 H new ATOM 0 HA GLU A 23 16.977 22.719 0.957 1.00 0.33 H new ATOM 0 HB2 GLU A 23 15.117 24.083 2.956 1.00 0.60 H new ATOM 0 HB3 GLU A 23 16.090 22.645 3.192 1.00 0.60 H new ATOM 0 HG2 GLU A 23 17.166 25.514 2.964 1.00 1.30 H new ATOM 0 HG3 GLU A 23 17.048 24.587 4.447 1.00 1.30 H new ATOM 358 N MET A 24 14.071 24.207 0.853 1.00 0.25 N ATOM 359 CA MET A 24 12.661 24.259 0.366 1.00 0.24 C ATOM 360 C MET A 24 12.687 24.123 -1.170 1.00 0.27 C ATOM 361 O MET A 24 11.848 23.483 -1.770 1.00 0.46 O ATOM 362 CB MET A 24 12.110 25.640 0.805 1.00 0.21 C ATOM 363 CG MET A 24 12.106 25.765 2.323 1.00 0.42 C ATOM 364 SD MET A 24 10.786 24.885 3.198 1.00 1.76 S ATOM 365 CE MET A 24 10.005 26.350 3.925 1.00 1.51 C ATOM 0 H MET A 24 14.319 24.992 1.455 1.00 0.25 H new ATOM 0 HA MET A 24 12.033 23.463 0.767 1.00 0.24 H new ATOM 0 HB2 MET A 24 12.719 26.434 0.372 1.00 0.21 H new ATOM 0 HB3 MET A 24 11.098 25.771 0.422 1.00 0.21 H new ATOM 0 HG2 MET A 24 13.064 25.405 2.698 1.00 0.42 H new ATOM 0 HG3 MET A 24 12.040 26.822 2.579 1.00 0.42 H new ATOM 0 HE1 MET A 24 9.125 26.049 4.494 1.00 1.51 H new ATOM 0 HE2 MET A 24 10.712 26.848 4.588 1.00 1.51 H new ATOM 0 HE3 MET A 24 9.707 27.035 3.131 1.00 1.51 H new ATOM 375 N LEU A 25 13.666 24.764 -1.743 1.00 0.16 N ATOM 376 CA LEU A 25 13.926 24.797 -3.186 1.00 0.12 C ATOM 377 C LEU A 25 14.213 23.403 -3.664 1.00 0.16 C ATOM 378 O LEU A 25 13.512 22.919 -4.516 1.00 0.27 O ATOM 379 CB LEU A 25 15.062 25.683 -3.379 1.00 0.13 C ATOM 380 CG LEU A 25 14.724 27.174 -3.197 1.00 0.12 C ATOM 381 CD1 LEU A 25 15.101 27.758 -4.464 1.00 0.12 C ATOM 382 CD2 LEU A 25 13.288 27.597 -2.907 1.00 0.16 C ATOM 0 H LEU A 25 14.344 25.307 -1.209 1.00 0.16 H new ATOM 0 HA LEU A 25 13.073 25.163 -3.757 1.00 0.12 H new ATOM 0 HB2 LEU A 25 15.848 25.410 -2.675 1.00 0.13 H new ATOM 0 HB3 LEU A 25 15.464 25.531 -4.381 1.00 0.13 H new ATOM 0 HG LEU A 25 15.242 27.496 -2.294 1.00 0.12 H new ATOM 0 HD11 LEU A 25 14.901 28.829 -4.445 1.00 0.12 H new ATOM 0 HD12 LEU A 25 16.164 27.591 -4.640 1.00 0.12 H new ATOM 0 HD13 LEU A 25 14.523 27.295 -5.264 1.00 0.12 H new ATOM 0 HD21 LEU A 25 13.241 28.682 -2.810 1.00 0.16 H new ATOM 0 HD22 LEU A 25 12.642 27.277 -3.725 1.00 0.16 H new ATOM 0 HD23 LEU A 25 12.953 27.135 -1.978 1.00 0.16 H new ATOM 394 N PHE A 26 15.230 22.832 -3.087 1.00 0.12 N ATOM 395 CA PHE A 26 15.655 21.441 -3.427 1.00 0.19 C ATOM 396 C PHE A 26 14.366 20.614 -3.508 1.00 0.15 C ATOM 397 O PHE A 26 13.992 20.099 -4.544 1.00 0.20 O ATOM 398 CB PHE A 26 16.564 20.954 -2.292 1.00 0.23 C ATOM 399 CG PHE A 26 17.141 19.626 -2.763 1.00 0.37 C ATOM 400 CD1 PHE A 26 16.439 18.479 -2.497 1.00 0.86 C ATOM 401 CD2 PHE A 26 18.314 19.566 -3.490 1.00 1.39 C ATOM 402 CE1 PHE A 26 16.904 17.270 -2.967 1.00 0.72 C ATOM 403 CE2 PHE A 26 18.786 18.357 -3.958 1.00 1.61 C ATOM 404 CZ PHE A 26 18.076 17.207 -3.696 1.00 0.75 C ATOM 0 H PHE A 26 15.803 23.282 -2.373 1.00 0.12 H new ATOM 0 HA PHE A 26 16.202 21.365 -4.367 1.00 0.19 H new ATOM 0 HB2 PHE A 26 17.356 21.675 -2.089 1.00 0.23 H new ATOM 0 HB3 PHE A 26 16.002 20.830 -1.367 1.00 0.23 H new ATOM 0 HD1 PHE A 26 15.526 18.523 -1.922 1.00 0.86 H new ATOM 0 HD2 PHE A 26 18.866 20.472 -3.694 1.00 1.39 H new ATOM 0 HE1 PHE A 26 16.349 16.366 -2.764 1.00 0.72 H new ATOM 0 HE2 PHE A 26 19.704 18.313 -4.525 1.00 1.61 H new ATOM 0 HZ PHE A 26 18.435 16.256 -4.060 1.00 0.75 H new ATOM 414 N ILE A 27 13.734 20.565 -2.370 1.00 0.08 N ATOM 415 CA ILE A 27 12.447 19.826 -2.211 1.00 0.07 C ATOM 416 C ILE A 27 11.495 20.225 -3.347 1.00 0.10 C ATOM 417 O ILE A 27 11.262 19.463 -4.250 1.00 0.26 O ATOM 418 CB ILE A 27 11.950 20.278 -0.813 1.00 0.10 C ATOM 419 CG1 ILE A 27 12.325 19.293 0.316 1.00 0.11 C ATOM 420 CG2 ILE A 27 10.407 20.453 -0.696 1.00 0.14 C ATOM 421 CD1 ILE A 27 13.688 18.594 0.174 1.00 0.10 C ATOM 0 H ILE A 27 14.064 21.019 -1.518 1.00 0.08 H new ATOM 0 HA ILE A 27 12.528 18.741 -2.268 1.00 0.07 H new ATOM 0 HB ILE A 27 12.453 21.239 -0.701 1.00 0.10 H new ATOM 0 HG12 ILE A 27 12.313 19.834 1.262 1.00 0.11 H new ATOM 0 HG13 ILE A 27 11.551 18.528 0.376 1.00 0.11 H new ATOM 0 HG21 ILE A 27 10.152 20.770 0.315 1.00 0.14 H new ATOM 0 HG22 ILE A 27 10.071 21.207 -1.408 1.00 0.14 H new ATOM 0 HG23 ILE A 27 9.916 19.504 -0.913 1.00 0.14 H new ATOM 0 HD11 ILE A 27 13.845 17.927 1.022 1.00 0.10 H new ATOM 0 HD12 ILE A 27 13.706 18.016 -0.750 1.00 0.10 H new ATOM 0 HD13 ILE A 27 14.480 19.343 0.150 1.00 0.10 H new ATOM 433 N TYR A 28 10.971 21.412 -3.299 1.00 0.11 N ATOM 434 CA TYR A 28 10.028 21.932 -4.333 1.00 0.17 C ATOM 435 C TYR A 28 10.419 21.611 -5.768 1.00 0.13 C ATOM 436 O TYR A 28 9.675 20.984 -6.479 1.00 0.22 O ATOM 437 CB TYR A 28 9.979 23.444 -4.136 1.00 0.27 C ATOM 438 CG TYR A 28 9.250 24.165 -5.285 1.00 0.21 C ATOM 439 CD1 TYR A 28 7.869 24.243 -5.321 1.00 1.08 C ATOM 440 CD2 TYR A 28 9.977 24.759 -6.291 1.00 1.10 C ATOM 441 CE1 TYR A 28 7.227 24.919 -6.357 1.00 0.90 C ATOM 442 CE2 TYR A 28 9.308 25.416 -7.305 1.00 1.25 C ATOM 443 CZ TYR A 28 7.957 25.507 -7.351 1.00 0.37 C ATOM 444 OH TYR A 28 7.416 26.209 -8.411 1.00 0.61 O ATOM 0 H TYR A 28 11.165 22.077 -2.551 1.00 0.11 H new ATOM 0 HA TYR A 28 9.062 21.445 -4.196 1.00 0.17 H new ATOM 0 HB2 TYR A 28 9.478 23.668 -3.194 1.00 0.27 H new ATOM 0 HB3 TYR A 28 10.995 23.830 -4.056 1.00 0.27 H new ATOM 0 HD1 TYR A 28 7.285 23.777 -4.541 1.00 1.08 H new ATOM 0 HD2 TYR A 28 11.056 24.712 -6.288 1.00 1.10 H new ATOM 0 HE1 TYR A 28 6.149 24.978 -6.374 1.00 0.90 H new ATOM 0 HE2 TYR A 28 9.885 25.876 -8.093 1.00 1.25 H new ATOM 0 HH TYR A 28 7.048 25.580 -9.066 1.00 0.61 H new ATOM 454 N SER A 29 11.579 22.050 -6.140 1.00 0.09 N ATOM 455 CA SER A 29 12.124 21.846 -7.491 1.00 0.16 C ATOM 456 C SER A 29 11.988 20.390 -7.914 1.00 0.21 C ATOM 457 O SER A 29 11.366 20.040 -8.905 1.00 0.29 O ATOM 458 CB SER A 29 13.585 22.370 -7.420 1.00 0.17 C ATOM 459 OG SER A 29 14.323 21.474 -6.595 1.00 0.22 O ATOM 0 H SER A 29 12.202 22.571 -5.522 1.00 0.09 H new ATOM 0 HA SER A 29 11.582 22.388 -8.266 1.00 0.16 H new ATOM 0 HB2 SER A 29 14.023 22.421 -8.417 1.00 0.17 H new ATOM 0 HB3 SER A 29 13.611 23.379 -7.008 1.00 0.17 H new ATOM 0 HG SER A 29 13.972 21.506 -5.681 1.00 0.22 H new ATOM 465 N HIS A 30 12.583 19.561 -7.107 1.00 0.17 N ATOM 466 CA HIS A 30 12.555 18.119 -7.362 1.00 0.19 C ATOM 467 C HIS A 30 11.110 17.624 -7.310 1.00 0.18 C ATOM 468 O HIS A 30 10.676 16.951 -8.212 1.00 0.25 O ATOM 469 CB HIS A 30 13.429 17.529 -6.254 1.00 0.18 C ATOM 470 CG HIS A 30 14.898 17.843 -6.521 1.00 0.44 C ATOM 471 ND1 HIS A 30 15.434 19.019 -6.554 1.00 1.18 N ATOM 472 CD2 HIS A 30 15.943 16.981 -6.779 1.00 0.62 C ATOM 473 CE1 HIS A 30 16.702 18.911 -6.814 1.00 1.16 C ATOM 474 NE2 HIS A 30 17.059 17.659 -6.962 1.00 0.63 N ATOM 0 H HIS A 30 13.094 19.838 -6.269 1.00 0.17 H new ATOM 0 HA HIS A 30 12.929 17.829 -8.344 1.00 0.19 H new ATOM 0 HB2 HIS A 30 13.131 17.938 -5.289 1.00 0.18 H new ATOM 0 HB3 HIS A 30 13.284 16.450 -6.201 1.00 0.18 H new ATOM 0 HD1 HIS A 30 14.938 19.897 -6.400 1.00 1.18 H new ATOM 0 HD2 HIS A 30 15.859 15.905 -6.825 1.00 0.62 H new ATOM 0 HE1 HIS A 30 17.378 19.749 -6.898 1.00 1.16 H new ATOM 482 N TYR A 31 10.393 17.969 -6.275 1.00 0.15 N ATOM 483 CA TYR A 31 8.970 17.543 -6.107 1.00 0.21 C ATOM 484 C TYR A 31 8.165 17.828 -7.346 1.00 0.20 C ATOM 485 O TYR A 31 7.702 16.943 -8.034 1.00 0.21 O ATOM 486 CB TYR A 31 8.256 18.367 -4.988 1.00 0.20 C ATOM 487 CG TYR A 31 6.880 17.772 -4.671 1.00 0.20 C ATOM 488 CD1 TYR A 31 6.771 16.797 -3.691 1.00 0.74 C ATOM 489 CD2 TYR A 31 5.738 18.191 -5.346 1.00 0.95 C ATOM 490 CE1 TYR A 31 5.538 16.250 -3.391 1.00 0.73 C ATOM 491 CE2 TYR A 31 4.514 17.634 -5.028 1.00 0.95 C ATOM 492 CZ TYR A 31 4.411 16.665 -4.053 1.00 0.20 C ATOM 493 OH TYR A 31 3.181 16.123 -3.761 1.00 0.24 O ATOM 0 H TYR A 31 10.746 18.548 -5.513 1.00 0.15 H new ATOM 0 HA TYR A 31 9.013 16.479 -5.874 1.00 0.21 H new ATOM 0 HB2 TYR A 31 8.870 18.375 -4.088 1.00 0.20 H new ATOM 0 HB3 TYR A 31 8.145 19.403 -5.307 1.00 0.20 H new ATOM 0 HD1 TYR A 31 7.651 16.465 -3.161 1.00 0.74 H new ATOM 0 HD2 TYR A 31 5.808 18.947 -6.114 1.00 0.95 H new ATOM 0 HE1 TYR A 31 5.461 15.489 -2.629 1.00 0.73 H new ATOM 0 HE2 TYR A 31 3.627 17.962 -5.550 1.00 0.95 H new ATOM 0 HH TYR A 31 3.291 15.187 -3.491 1.00 0.24 H new ATOM 503 N LYS A 32 8.028 19.100 -7.583 1.00 0.18 N ATOM 504 CA LYS A 32 7.270 19.595 -8.740 1.00 0.16 C ATOM 505 C LYS A 32 7.698 18.738 -9.972 1.00 0.17 C ATOM 506 O LYS A 32 6.857 18.338 -10.749 1.00 0.27 O ATOM 507 CB LYS A 32 7.536 21.076 -8.709 1.00 0.13 C ATOM 508 CG LYS A 32 7.190 21.819 -7.348 1.00 0.27 C ATOM 509 CD LYS A 32 5.707 21.911 -6.934 1.00 0.50 C ATOM 510 CE LYS A 32 4.938 22.830 -7.831 1.00 0.41 C ATOM 511 NZ LYS A 32 4.234 23.925 -7.081 1.00 1.63 N ATOM 0 H LYS A 32 8.427 19.833 -6.997 1.00 0.18 H new ATOM 0 HA LYS A 32 6.186 19.485 -8.761 1.00 0.16 H new ATOM 0 HB2 LYS A 32 8.590 21.240 -8.931 1.00 0.13 H new ATOM 0 HB3 LYS A 32 6.965 21.544 -9.511 1.00 0.13 H new ATOM 0 HG2 LYS A 32 7.731 21.317 -6.546 1.00 0.27 H new ATOM 0 HG3 LYS A 32 7.583 22.834 -7.411 1.00 0.27 H new ATOM 0 HD2 LYS A 32 5.259 20.918 -6.961 1.00 0.50 H new ATOM 0 HD3 LYS A 32 5.638 22.264 -5.905 1.00 0.50 H new ATOM 0 HE2 LYS A 32 5.618 23.274 -8.558 1.00 0.41 H new ATOM 0 HE3 LYS A 32 4.205 22.252 -8.393 1.00 0.41 H new ATOM 0 HZ1 LYS A 32 3.219 23.708 -7.022 1.00 1.63 H new ATOM 0 HZ2 LYS A 32 4.629 23.998 -6.121 1.00 1.63 H new ATOM 0 HZ3 LYS A 32 4.367 24.828 -7.579 1.00 1.63 H new ATOM 525 N GLN A 33 8.970 18.457 -10.135 1.00 0.12 N ATOM 526 CA GLN A 33 9.405 17.608 -11.314 1.00 0.16 C ATOM 527 C GLN A 33 8.906 16.156 -11.182 1.00 0.21 C ATOM 528 O GLN A 33 8.221 15.620 -12.039 1.00 0.18 O ATOM 529 CB GLN A 33 10.936 17.592 -11.353 1.00 0.17 C ATOM 530 CG GLN A 33 11.405 18.816 -12.110 1.00 0.39 C ATOM 531 CD GLN A 33 11.625 18.486 -13.570 1.00 0.46 C ATOM 532 OE1 GLN A 33 12.633 17.951 -13.961 1.00 0.78 O ATOM 533 NE2 GLN A 33 10.724 18.754 -14.449 1.00 0.52 N ATOM 0 H GLN A 33 9.721 18.768 -9.519 1.00 0.12 H new ATOM 0 HA GLN A 33 8.983 18.035 -12.224 1.00 0.16 H new ATOM 0 HB2 GLN A 33 11.342 17.593 -10.341 1.00 0.17 H new ATOM 0 HB3 GLN A 33 11.294 16.685 -11.839 1.00 0.17 H new ATOM 0 HG2 GLN A 33 10.666 19.612 -12.019 1.00 0.39 H new ATOM 0 HG3 GLN A 33 12.331 19.189 -11.672 1.00 0.39 H new ATOM 0 HE21 GLN A 33 9.854 19.206 -14.166 1.00 0.52 H new ATOM 0 HE22 GLN A 33 10.879 18.514 -15.428 1.00 0.52 H new ATOM 542 N ALA A 34 9.294 15.573 -10.089 1.00 0.29 N ATOM 543 CA ALA A 34 8.953 14.175 -9.710 1.00 0.36 C ATOM 544 C ALA A 34 7.455 13.888 -9.894 1.00 0.40 C ATOM 545 O ALA A 34 7.037 12.861 -10.380 1.00 0.44 O ATOM 546 CB ALA A 34 9.240 14.086 -8.207 1.00 0.25 C ATOM 0 H ALA A 34 9.875 16.044 -9.395 1.00 0.29 H new ATOM 0 HA ALA A 34 9.518 13.473 -10.323 1.00 0.36 H new ATOM 0 HB1 ALA A 34 9.012 13.081 -7.852 1.00 0.25 H new ATOM 0 HB2 ALA A 34 10.292 14.306 -8.024 1.00 0.25 H new ATOM 0 HB3 ALA A 34 8.620 14.808 -7.675 1.00 0.25 H new ATOM 552 N THR A 35 6.673 14.847 -9.498 1.00 0.37 N ATOM 553 CA THR A 35 5.175 14.769 -9.575 1.00 0.46 C ATOM 554 C THR A 35 4.517 15.283 -10.854 1.00 0.67 C ATOM 555 O THR A 35 3.981 14.509 -11.619 1.00 0.99 O ATOM 556 CB THR A 35 4.622 15.605 -8.414 1.00 0.41 C ATOM 557 OG1 THR A 35 5.182 16.896 -8.597 1.00 0.43 O ATOM 558 CG2 THR A 35 5.261 15.194 -7.131 1.00 0.28 C ATOM 0 H THR A 35 7.018 15.723 -9.106 1.00 0.37 H new ATOM 0 HA THR A 35 4.940 13.705 -9.542 1.00 0.46 H new ATOM 0 HB THR A 35 3.535 15.523 -8.391 1.00 0.41 H new ATOM 0 HG1 THR A 35 5.983 16.987 -8.040 1.00 0.43 H new ATOM 0 HG21 THR A 35 4.859 15.795 -6.315 1.00 0.28 H new ATOM 0 HG22 THR A 35 5.053 14.141 -6.942 1.00 0.28 H new ATOM 0 HG23 THR A 35 6.339 15.345 -7.196 1.00 0.28 H new ATOM 566 N VAL A 36 4.614 16.557 -11.058 1.00 0.53 N ATOM 567 CA VAL A 36 4.021 17.264 -12.253 1.00 0.70 C ATOM 568 C VAL A 36 4.884 17.059 -13.485 1.00 0.72 C ATOM 569 O VAL A 36 4.471 16.570 -14.519 1.00 0.93 O ATOM 570 CB VAL A 36 4.085 18.816 -11.939 1.00 0.66 C ATOM 571 CG1 VAL A 36 3.549 19.691 -13.093 1.00 0.83 C ATOM 572 CG2 VAL A 36 3.401 19.137 -10.629 1.00 0.70 C ATOM 0 H VAL A 36 5.104 17.183 -10.419 1.00 0.53 H new ATOM 0 HA VAL A 36 3.014 16.886 -12.432 1.00 0.70 H new ATOM 0 HB VAL A 36 5.141 19.068 -11.839 1.00 0.66 H new ATOM 0 HG11 VAL A 36 3.620 20.743 -12.816 1.00 0.83 H new ATOM 0 HG12 VAL A 36 4.141 19.512 -13.991 1.00 0.83 H new ATOM 0 HG13 VAL A 36 2.507 19.437 -13.289 1.00 0.83 H new ATOM 0 HG21 VAL A 36 3.461 20.209 -10.440 1.00 0.70 H new ATOM 0 HG22 VAL A 36 2.355 18.836 -10.681 1.00 0.70 H new ATOM 0 HG23 VAL A 36 3.894 18.598 -9.820 1.00 0.70 H new ATOM 582 N GLY A 37 6.100 17.453 -13.277 1.00 0.54 N ATOM 583 CA GLY A 37 7.163 17.373 -14.323 1.00 0.56 C ATOM 584 C GLY A 37 7.853 18.717 -14.559 1.00 0.49 C ATOM 585 O GLY A 37 8.186 19.460 -13.648 1.00 0.40 O ATOM 0 H GLY A 37 6.420 17.844 -12.391 1.00 0.54 H new ATOM 0 HA2 GLY A 37 7.907 16.634 -14.025 1.00 0.56 H new ATOM 0 HA3 GLY A 37 6.723 17.025 -15.258 1.00 0.56 H new ATOM 589 N ASP A 38 8.046 18.956 -15.826 1.00 0.52 N ATOM 590 CA ASP A 38 8.689 20.171 -16.369 1.00 0.50 C ATOM 591 C ASP A 38 7.899 21.465 -16.107 1.00 0.56 C ATOM 592 O ASP A 38 6.842 21.706 -16.655 1.00 0.84 O ATOM 593 CB ASP A 38 8.857 19.847 -17.871 1.00 0.63 C ATOM 594 CG ASP A 38 9.990 18.842 -18.121 1.00 0.69 C ATOM 595 OD1 ASP A 38 10.375 18.135 -17.202 1.00 1.44 O ATOM 596 OD2 ASP A 38 10.405 18.869 -19.268 1.00 1.59 O ATOM 0 H ASP A 38 7.758 18.302 -16.553 1.00 0.52 H new ATOM 0 HA ASP A 38 9.638 20.386 -15.878 1.00 0.50 H new ATOM 0 HB2 ASP A 38 7.923 19.444 -18.261 1.00 0.63 H new ATOM 0 HB3 ASP A 38 9.061 20.767 -18.419 1.00 0.63 H new ATOM 601 N ILE A 39 8.477 22.242 -15.231 1.00 0.34 N ATOM 602 CA ILE A 39 7.902 23.546 -14.819 1.00 0.39 C ATOM 603 C ILE A 39 7.081 24.296 -15.911 1.00 0.62 C ATOM 604 O ILE A 39 7.584 24.925 -16.819 1.00 0.77 O ATOM 605 CB ILE A 39 8.969 24.374 -14.164 1.00 0.27 C ATOM 606 CG1 ILE A 39 8.225 25.394 -13.267 1.00 0.37 C ATOM 607 CG2 ILE A 39 9.875 25.041 -15.207 1.00 0.15 C ATOM 608 CD1 ILE A 39 9.234 25.974 -12.323 1.00 0.42 C ATOM 0 H ILE A 39 9.357 22.013 -14.770 1.00 0.34 H new ATOM 0 HA ILE A 39 7.126 23.337 -14.083 1.00 0.39 H new ATOM 0 HB ILE A 39 9.643 23.766 -13.561 1.00 0.27 H new ATOM 0 HG12 ILE A 39 7.769 26.178 -13.872 1.00 0.37 H new ATOM 0 HG13 ILE A 39 7.420 24.907 -12.717 1.00 0.37 H new ATOM 0 HG21 ILE A 39 10.637 25.633 -14.701 1.00 0.15 H new ATOM 0 HG22 ILE A 39 10.355 24.274 -15.815 1.00 0.15 H new ATOM 0 HG23 ILE A 39 9.277 25.690 -15.847 1.00 0.15 H new ATOM 0 HD11 ILE A 39 8.748 26.700 -11.672 1.00 0.42 H new ATOM 0 HD12 ILE A 39 9.667 25.177 -11.719 1.00 0.42 H new ATOM 0 HD13 ILE A 39 10.022 26.468 -12.891 1.00 0.42 H new ATOM 620 N ASN A 40 5.798 24.203 -15.792 1.00 0.84 N ATOM 621 CA ASN A 40 4.866 24.880 -16.773 1.00 1.25 C ATOM 622 C ASN A 40 3.900 25.707 -15.913 1.00 1.09 C ATOM 623 O ASN A 40 2.702 25.764 -16.105 1.00 1.28 O ATOM 624 CB ASN A 40 4.197 23.763 -17.619 1.00 1.92 C ATOM 625 CG ASN A 40 3.464 22.749 -16.753 1.00 1.07 C ATOM 626 OD1 ASN A 40 2.343 22.912 -16.335 1.00 1.51 O ATOM 627 ND2 ASN A 40 4.062 21.657 -16.428 1.00 1.17 N ATOM 0 H ASN A 40 5.328 23.683 -15.051 1.00 0.84 H new ATOM 0 HA ASN A 40 5.342 25.554 -17.485 1.00 1.25 H new ATOM 0 HB2 ASN A 40 3.496 24.212 -18.322 1.00 1.92 H new ATOM 0 HB3 ASN A 40 4.957 23.252 -18.210 1.00 1.92 H new ATOM 0 HD21 ASN A 40 3.588 20.972 -15.840 1.00 1.17 H new ATOM 0 HD22 ASN A 40 5.010 21.477 -16.758 1.00 1.17 H new ATOM 634 N THR A 41 4.532 26.339 -14.966 1.00 0.78 N ATOM 635 CA THR A 41 3.803 27.190 -13.988 1.00 0.78 C ATOM 636 C THR A 41 4.384 28.573 -13.567 1.00 0.41 C ATOM 637 O THR A 41 5.136 29.235 -14.256 1.00 0.75 O ATOM 638 CB THR A 41 3.809 26.317 -12.716 1.00 1.59 C ATOM 639 OG1 THR A 41 5.118 26.523 -12.196 1.00 1.04 O ATOM 640 CG2 THR A 41 3.923 24.862 -12.873 1.00 2.20 C ATOM 0 H THR A 41 5.542 26.301 -14.826 1.00 0.78 H new ATOM 0 HA THR A 41 2.861 27.462 -14.463 1.00 0.78 H new ATOM 0 HB THR A 41 2.889 26.577 -12.192 1.00 1.59 H new ATOM 0 HG1 THR A 41 5.415 25.715 -11.728 1.00 1.04 H new ATOM 0 HG21 THR A 41 3.913 24.388 -11.891 1.00 2.20 H new ATOM 0 HG22 THR A 41 3.084 24.493 -13.463 1.00 2.20 H new ATOM 0 HG23 THR A 41 4.857 24.623 -13.382 1.00 2.20 H new ATOM 648 N GLU A 42 3.959 28.887 -12.366 1.00 1.77 N ATOM 649 CA GLU A 42 4.221 30.092 -11.529 1.00 3.04 C ATOM 650 C GLU A 42 5.117 31.272 -11.851 1.00 2.15 C ATOM 651 O GLU A 42 4.838 32.409 -11.530 1.00 2.15 O ATOM 652 CB GLU A 42 4.630 29.651 -10.072 1.00 4.72 C ATOM 653 CG GLU A 42 5.046 28.166 -9.737 1.00 5.73 C ATOM 654 CD GLU A 42 4.013 27.091 -9.475 1.00 7.38 C ATOM 655 OE1 GLU A 42 2.893 27.239 -9.915 1.00 7.40 O ATOM 656 OE2 GLU A 42 4.479 26.151 -8.834 1.00 8.75 O ATOM 0 H GLU A 42 3.345 28.242 -11.869 1.00 1.77 H new ATOM 0 HA GLU A 42 3.250 30.538 -11.745 1.00 3.04 H new ATOM 0 HB2 GLU A 42 5.463 30.287 -9.773 1.00 4.72 H new ATOM 0 HB3 GLU A 42 3.791 29.898 -9.421 1.00 4.72 H new ATOM 0 HG2 GLU A 42 5.663 27.816 -10.565 1.00 5.73 H new ATOM 0 HG3 GLU A 42 5.688 28.209 -8.857 1.00 5.73 H new ATOM 663 N ARG A 43 6.147 30.890 -12.481 1.00 2.26 N ATOM 664 CA ARG A 43 7.243 31.792 -12.923 1.00 1.69 C ATOM 665 C ARG A 43 7.056 33.339 -12.802 1.00 1.38 C ATOM 666 O ARG A 43 6.707 34.015 -13.754 1.00 1.49 O ATOM 667 CB ARG A 43 7.471 31.466 -14.351 1.00 2.56 C ATOM 668 CG ARG A 43 8.885 31.960 -14.704 1.00 2.61 C ATOM 669 CD ARG A 43 8.950 31.588 -16.183 1.00 3.83 C ATOM 670 NE ARG A 43 10.296 31.946 -16.710 1.00 4.37 N ATOM 671 CZ ARG A 43 10.489 32.849 -17.605 1.00 5.33 C ATOM 672 NH1 ARG A 43 9.665 32.992 -18.566 1.00 6.95 N ATOM 673 NH2 ARG A 43 11.527 33.571 -17.475 1.00 4.65 N ATOM 0 H ARG A 43 6.303 29.915 -12.737 1.00 2.26 H new ATOM 0 HA ARG A 43 8.066 31.601 -12.234 1.00 1.69 H new ATOM 0 HB2 ARG A 43 7.384 30.393 -14.520 1.00 2.56 H new ATOM 0 HB3 ARG A 43 6.725 31.950 -14.981 1.00 2.56 H new ATOM 0 HG2 ARG A 43 9.002 33.031 -14.541 1.00 2.61 H new ATOM 0 HG3 ARG A 43 9.657 31.462 -14.117 1.00 2.61 H new ATOM 0 HD2 ARG A 43 8.766 30.521 -16.312 1.00 3.83 H new ATOM 0 HD3 ARG A 43 8.175 32.115 -16.739 1.00 3.83 H new ATOM 0 HE ARG A 43 11.107 31.449 -16.342 1.00 4.37 H new ATOM 0 HH11 ARG A 43 8.845 32.388 -18.629 1.00 6.95 H new ATOM 0 HH12 ARG A 43 9.825 33.710 -19.272 1.00 6.95 H new ATOM 0 HH21 ARG A 43 12.159 33.419 -16.689 1.00 4.65 H new ATOM 0 HH22 ARG A 43 11.728 34.302 -18.157 1.00 4.65 H new ATOM 687 N PRO A 44 7.308 33.806 -11.591 1.00 1.04 N ATOM 688 CA PRO A 44 7.229 35.259 -11.163 1.00 0.74 C ATOM 689 C PRO A 44 7.697 36.445 -12.086 1.00 0.73 C ATOM 690 O PRO A 44 8.217 36.233 -13.166 1.00 1.26 O ATOM 691 CB PRO A 44 8.197 35.194 -9.986 1.00 0.49 C ATOM 692 CG PRO A 44 7.810 33.902 -9.273 1.00 0.73 C ATOM 693 CD PRO A 44 7.713 32.921 -10.432 1.00 0.96 C ATOM 0 HA PRO A 44 6.177 35.523 -11.059 1.00 0.74 H new ATOM 0 HB2 PRO A 44 9.234 35.172 -10.321 1.00 0.49 H new ATOM 0 HB3 PRO A 44 8.092 36.060 -9.332 1.00 0.49 H new ATOM 0 HG2 PRO A 44 8.560 33.598 -8.542 1.00 0.73 H new ATOM 0 HG3 PRO A 44 6.865 33.998 -8.739 1.00 0.73 H new ATOM 0 HD2 PRO A 44 8.663 32.421 -10.618 1.00 0.96 H new ATOM 0 HD3 PRO A 44 6.975 32.142 -10.241 1.00 0.96 H new ATOM 701 N GLY A 45 7.507 37.674 -11.628 1.00 0.25 N ATOM 702 CA GLY A 45 7.933 38.868 -12.466 1.00 0.49 C ATOM 703 C GLY A 45 8.599 40.093 -11.801 1.00 0.74 C ATOM 704 O GLY A 45 9.662 40.525 -12.204 1.00 1.41 O ATOM 0 H GLY A 45 7.084 37.902 -10.728 1.00 0.25 H new ATOM 0 HA2 GLY A 45 8.623 38.499 -13.225 1.00 0.49 H new ATOM 0 HA3 GLY A 45 7.046 39.227 -12.988 1.00 0.49 H new ATOM 708 N MET A 46 7.950 40.622 -10.805 1.00 0.52 N ATOM 709 CA MET A 46 8.457 41.826 -10.070 1.00 0.89 C ATOM 710 C MET A 46 9.175 41.454 -8.755 1.00 0.58 C ATOM 711 O MET A 46 10.127 40.699 -8.745 1.00 0.56 O ATOM 712 CB MET A 46 7.182 42.683 -9.803 1.00 1.27 C ATOM 713 CG MET A 46 6.489 43.094 -11.126 1.00 1.51 C ATOM 714 SD MET A 46 6.013 41.799 -12.300 1.00 1.19 S ATOM 715 CE MET A 46 4.672 41.041 -11.351 1.00 1.28 C ATOM 0 H MET A 46 7.062 40.263 -10.455 1.00 0.52 H new ATOM 0 HA MET A 46 9.208 42.364 -10.649 1.00 0.89 H new ATOM 0 HB2 MET A 46 6.484 42.117 -9.186 1.00 1.27 H new ATOM 0 HB3 MET A 46 7.454 43.576 -9.240 1.00 1.27 H new ATOM 0 HG2 MET A 46 5.589 43.652 -10.868 1.00 1.51 H new ATOM 0 HG3 MET A 46 7.154 43.783 -11.647 1.00 1.51 H new ATOM 0 HE1 MET A 46 4.899 39.989 -11.176 1.00 1.28 H new ATOM 0 HE2 MET A 46 4.568 41.554 -10.395 1.00 1.28 H new ATOM 0 HE3 MET A 46 3.740 41.123 -11.910 1.00 1.28 H new ATOM 725 N LEU A 47 8.719 41.970 -7.642 1.00 1.05 N ATOM 726 CA LEU A 47 9.362 41.655 -6.324 1.00 0.91 C ATOM 727 C LEU A 47 8.749 40.341 -5.825 1.00 1.27 C ATOM 728 O LEU A 47 8.220 40.198 -4.736 1.00 2.20 O ATOM 729 CB LEU A 47 9.053 42.828 -5.359 1.00 1.57 C ATOM 730 CG LEU A 47 9.802 44.102 -5.790 1.00 2.02 C ATOM 731 CD1 LEU A 47 9.297 45.265 -4.936 1.00 2.69 C ATOM 732 CD2 LEU A 47 11.295 43.922 -5.480 1.00 2.33 C ATOM 0 H LEU A 47 7.921 42.603 -7.587 1.00 1.05 H new ATOM 0 HA LEU A 47 10.443 41.539 -6.397 1.00 0.91 H new ATOM 0 HB2 LEU A 47 7.980 43.019 -5.344 1.00 1.57 H new ATOM 0 HB3 LEU A 47 9.343 42.556 -4.344 1.00 1.57 H new ATOM 0 HG LEU A 47 9.643 44.290 -6.852 1.00 2.02 H new ATOM 0 HD11 LEU A 47 9.815 46.180 -5.224 1.00 2.69 H new ATOM 0 HD12 LEU A 47 8.225 45.391 -5.090 1.00 2.69 H new ATOM 0 HD13 LEU A 47 9.490 45.055 -3.884 1.00 2.69 H new ATOM 0 HD21 LEU A 47 11.839 44.817 -5.780 1.00 2.33 H new ATOM 0 HD22 LEU A 47 11.427 43.758 -4.411 1.00 2.33 H new ATOM 0 HD23 LEU A 47 11.680 43.062 -6.029 1.00 2.33 H new ATOM 744 N ASP A 48 8.868 39.383 -6.689 1.00 0.97 N ATOM 745 CA ASP A 48 8.344 38.031 -6.422 1.00 1.83 C ATOM 746 C ASP A 48 9.470 37.059 -6.142 1.00 1.91 C ATOM 747 O ASP A 48 9.364 35.856 -6.298 1.00 2.59 O ATOM 748 CB ASP A 48 7.546 37.710 -7.664 1.00 2.54 C ATOM 749 CG ASP A 48 6.457 38.740 -7.848 1.00 3.48 C ATOM 750 OD1 ASP A 48 5.800 38.994 -6.848 1.00 4.11 O ATOM 751 OD2 ASP A 48 6.382 39.182 -8.984 1.00 3.93 O ATOM 0 H ASP A 48 9.321 39.488 -7.597 1.00 0.97 H new ATOM 0 HA ASP A 48 7.721 37.963 -5.530 1.00 1.83 H new ATOM 0 HB2 ASP A 48 8.200 37.698 -8.536 1.00 2.54 H new ATOM 0 HB3 ASP A 48 7.109 36.715 -7.580 1.00 2.54 H new ATOM 756 N PHE A 49 10.555 37.648 -5.702 1.00 1.25 N ATOM 757 CA PHE A 49 11.791 36.870 -5.347 1.00 1.33 C ATOM 758 C PHE A 49 11.280 35.607 -4.614 1.00 1.61 C ATOM 759 O PHE A 49 11.541 34.479 -4.986 1.00 1.91 O ATOM 760 CB PHE A 49 12.658 37.778 -4.432 1.00 0.94 C ATOM 761 CG PHE A 49 12.962 39.155 -5.070 1.00 0.83 C ATOM 762 CD1 PHE A 49 12.821 39.411 -6.427 1.00 1.76 C ATOM 763 CD2 PHE A 49 13.406 40.178 -4.253 1.00 0.82 C ATOM 764 CE1 PHE A 49 13.117 40.653 -6.946 1.00 2.23 C ATOM 765 CE2 PHE A 49 13.703 41.422 -4.770 1.00 1.63 C ATOM 766 CZ PHE A 49 13.560 41.659 -6.117 1.00 2.14 C ATOM 0 H PHE A 49 10.641 38.656 -5.570 1.00 1.25 H new ATOM 0 HA PHE A 49 12.404 36.575 -6.199 1.00 1.33 H new ATOM 0 HB2 PHE A 49 12.143 37.928 -3.483 1.00 0.94 H new ATOM 0 HB3 PHE A 49 13.597 37.271 -4.209 1.00 0.94 H new ATOM 0 HD1 PHE A 49 12.475 38.627 -7.084 1.00 1.76 H new ATOM 0 HD2 PHE A 49 13.522 40.001 -3.194 1.00 0.82 H new ATOM 0 HE1 PHE A 49 13.001 40.837 -8.004 1.00 2.23 H new ATOM 0 HE2 PHE A 49 14.048 42.210 -4.117 1.00 1.63 H new ATOM 0 HZ PHE A 49 13.795 42.632 -6.524 1.00 2.14 H new ATOM 776 N LYS A 50 10.535 35.914 -3.586 1.00 1.53 N ATOM 777 CA LYS A 50 9.863 34.952 -2.658 1.00 1.95 C ATOM 778 C LYS A 50 9.343 33.632 -3.285 1.00 1.60 C ATOM 779 O LYS A 50 9.151 32.658 -2.586 1.00 1.49 O ATOM 780 CB LYS A 50 8.671 35.763 -2.011 1.00 2.81 C ATOM 781 CG LYS A 50 7.719 36.390 -3.084 1.00 4.50 C ATOM 782 CD LYS A 50 6.636 37.248 -2.353 1.00 5.59 C ATOM 783 CE LYS A 50 5.532 37.818 -3.298 1.00 7.45 C ATOM 784 NZ LYS A 50 5.999 39.041 -4.038 1.00 7.83 N ATOM 0 H LYS A 50 10.351 36.885 -3.333 1.00 1.53 H new ATOM 0 HA LYS A 50 10.606 34.598 -1.944 1.00 1.95 H new ATOM 0 HB2 LYS A 50 8.096 35.102 -1.362 1.00 2.81 H new ATOM 0 HB3 LYS A 50 9.075 36.556 -1.381 1.00 2.81 H new ATOM 0 HG2 LYS A 50 8.287 37.010 -3.777 1.00 4.50 H new ATOM 0 HG3 LYS A 50 7.245 35.605 -3.673 1.00 4.50 H new ATOM 0 HD2 LYS A 50 6.162 36.638 -1.584 1.00 5.59 H new ATOM 0 HD3 LYS A 50 7.127 38.077 -1.844 1.00 5.59 H new ATOM 0 HE2 LYS A 50 5.237 37.051 -4.015 1.00 7.45 H new ATOM 0 HE3 LYS A 50 4.646 38.065 -2.713 1.00 7.45 H new ATOM 0 HZ1 LYS A 50 5.523 39.882 -3.654 1.00 7.83 H new ATOM 0 HZ2 LYS A 50 7.028 39.143 -3.925 1.00 7.83 H new ATOM 0 HZ3 LYS A 50 5.769 38.945 -5.048 1.00 7.83 H new ATOM 798 N GLY A 51 9.120 33.635 -4.576 1.00 1.56 N ATOM 799 CA GLY A 51 8.603 32.408 -5.283 1.00 1.41 C ATOM 800 C GLY A 51 9.485 32.065 -6.462 1.00 1.13 C ATOM 801 O GLY A 51 9.593 30.929 -6.880 1.00 1.28 O ATOM 0 H GLY A 51 9.274 34.441 -5.182 1.00 1.56 H new ATOM 0 HA2 GLY A 51 8.570 31.568 -4.589 1.00 1.41 H new ATOM 0 HA3 GLY A 51 7.582 32.580 -5.623 1.00 1.41 H new ATOM 805 N LYS A 52 10.109 33.087 -6.982 1.00 0.85 N ATOM 806 CA LYS A 52 11.008 32.936 -8.139 1.00 0.66 C ATOM 807 C LYS A 52 12.151 32.019 -7.792 1.00 0.35 C ATOM 808 O LYS A 52 12.721 31.406 -8.663 1.00 0.37 O ATOM 809 CB LYS A 52 11.380 34.354 -8.479 1.00 1.04 C ATOM 810 CG LYS A 52 12.786 34.465 -9.060 1.00 0.33 C ATOM 811 CD LYS A 52 13.723 34.476 -7.845 1.00 1.24 C ATOM 812 CE LYS A 52 15.177 34.064 -8.229 1.00 2.47 C ATOM 813 NZ LYS A 52 15.193 32.754 -8.954 1.00 3.92 N ATOM 0 H LYS A 52 10.024 34.043 -6.636 1.00 0.85 H new ATOM 0 HA LYS A 52 10.570 32.454 -9.013 1.00 0.66 H new ATOM 0 HB2 LYS A 52 10.662 34.753 -9.195 1.00 1.04 H new ATOM 0 HB3 LYS A 52 11.311 34.969 -7.582 1.00 1.04 H new ATOM 0 HG2 LYS A 52 13.007 33.626 -9.720 1.00 0.33 H new ATOM 0 HG3 LYS A 52 12.897 35.374 -9.651 1.00 0.33 H new ATOM 0 HD2 LYS A 52 13.733 35.472 -7.403 1.00 1.24 H new ATOM 0 HD3 LYS A 52 13.341 33.794 -7.086 1.00 1.24 H new ATOM 0 HE2 LYS A 52 15.623 34.836 -8.856 1.00 2.47 H new ATOM 0 HE3 LYS A 52 15.788 33.992 -7.329 1.00 2.47 H new ATOM 0 HZ1 LYS A 52 16.114 32.292 -8.815 1.00 3.92 H new ATOM 0 HZ2 LYS A 52 14.439 32.142 -8.582 1.00 3.92 H new ATOM 0 HZ3 LYS A 52 15.037 32.917 -9.969 1.00 3.92 H new ATOM 827 N ALA A 53 12.489 31.965 -6.541 1.00 0.74 N ATOM 828 CA ALA A 53 13.599 31.058 -6.155 1.00 0.55 C ATOM 829 C ALA A 53 13.001 29.670 -6.409 1.00 0.45 C ATOM 830 O ALA A 53 13.483 28.981 -7.277 1.00 0.45 O ATOM 831 CB ALA A 53 13.855 31.331 -4.743 1.00 0.54 C ATOM 0 H ALA A 53 12.058 32.495 -5.783 1.00 0.74 H new ATOM 0 HA ALA A 53 14.545 31.164 -6.686 1.00 0.55 H new ATOM 0 HB1 ALA A 53 14.666 30.694 -4.390 1.00 0.54 H new ATOM 0 HB2 ALA A 53 14.135 32.377 -4.620 1.00 0.54 H new ATOM 0 HB3 ALA A 53 12.955 31.126 -4.164 1.00 0.54 H new ATOM 837 N LYS A 54 11.996 29.308 -5.648 1.00 0.43 N ATOM 838 CA LYS A 54 11.334 27.985 -5.846 1.00 0.35 C ATOM 839 C LYS A 54 11.217 27.690 -7.334 1.00 0.31 C ATOM 840 O LYS A 54 11.747 26.721 -7.852 1.00 0.18 O ATOM 841 CB LYS A 54 9.854 28.095 -5.286 1.00 0.42 C ATOM 842 CG LYS A 54 9.764 27.976 -3.768 1.00 0.49 C ATOM 843 CD LYS A 54 10.116 26.550 -3.402 1.00 1.91 C ATOM 844 CE LYS A 54 10.331 26.398 -1.924 1.00 2.23 C ATOM 845 NZ LYS A 54 9.025 26.094 -1.263 1.00 3.40 N ATOM 0 H LYS A 54 11.606 29.876 -4.896 1.00 0.43 H new ATOM 0 HA LYS A 54 11.911 27.208 -5.344 1.00 0.35 H new ATOM 0 HB2 LYS A 54 9.429 29.051 -5.593 1.00 0.42 H new ATOM 0 HB3 LYS A 54 9.244 27.314 -5.740 1.00 0.42 H new ATOM 0 HG2 LYS A 54 10.448 28.675 -3.287 1.00 0.49 H new ATOM 0 HG3 LYS A 54 8.760 28.224 -3.423 1.00 0.49 H new ATOM 0 HD2 LYS A 54 9.317 25.883 -3.725 1.00 1.91 H new ATOM 0 HD3 LYS A 54 11.018 26.249 -3.935 1.00 1.91 H new ATOM 0 HE2 LYS A 54 11.045 25.598 -1.729 1.00 2.23 H new ATOM 0 HE3 LYS A 54 10.757 27.313 -1.511 1.00 2.23 H new ATOM 0 HZ1 LYS A 54 9.099 26.286 -0.244 1.00 3.40 H new ATOM 0 HZ2 LYS A 54 8.280 26.691 -1.675 1.00 3.40 H new ATOM 0 HZ3 LYS A 54 8.786 25.092 -1.410 1.00 3.40 H new ATOM 859 N TRP A 55 10.525 28.590 -7.966 1.00 0.49 N ATOM 860 CA TRP A 55 10.252 28.530 -9.374 1.00 0.50 C ATOM 861 C TRP A 55 11.451 28.192 -10.165 1.00 0.44 C ATOM 862 O TRP A 55 11.568 27.139 -10.755 1.00 0.37 O ATOM 863 CB TRP A 55 9.690 29.907 -9.783 1.00 0.73 C ATOM 864 CG TRP A 55 8.946 29.411 -10.951 1.00 1.08 C ATOM 865 CD1 TRP A 55 7.734 28.908 -10.807 1.00 1.34 C ATOM 866 CD2 TRP A 55 9.367 29.303 -12.192 1.00 1.26 C ATOM 867 NE1 TRP A 55 7.438 28.482 -12.011 1.00 1.60 N ATOM 868 CE2 TRP A 55 8.389 28.685 -12.920 1.00 1.54 C ATOM 869 CE3 TRP A 55 10.572 29.695 -12.735 1.00 1.24 C ATOM 870 CZ2 TRP A 55 8.646 28.460 -14.230 1.00 1.63 C ATOM 871 CZ3 TRP A 55 10.817 29.465 -14.055 1.00 1.41 C ATOM 872 CH2 TRP A 55 9.840 28.843 -14.794 1.00 1.59 C ATOM 0 H TRP A 55 10.124 29.408 -7.507 1.00 0.49 H new ATOM 0 HA TRP A 55 9.533 27.736 -9.576 1.00 0.50 H new ATOM 0 HB2 TRP A 55 9.056 30.363 -9.023 1.00 0.73 H new ATOM 0 HB3 TRP A 55 10.461 30.636 -10.034 1.00 0.73 H new ATOM 0 HD1 TRP A 55 7.131 28.859 -9.912 1.00 1.34 H new ATOM 0 HE1 TRP A 55 6.550 28.031 -12.233 1.00 1.60 H new ATOM 0 HE3 TRP A 55 11.315 30.180 -12.119 1.00 1.24 H new ATOM 0 HZ2 TRP A 55 7.902 27.972 -14.842 1.00 1.63 H new ATOM 0 HZ3 TRP A 55 11.751 29.763 -14.507 1.00 1.41 H new ATOM 0 HH2 TRP A 55 10.014 28.650 -15.842 1.00 1.59 H new ATOM 883 N ASP A 56 12.326 29.137 -10.133 1.00 0.53 N ATOM 884 CA ASP A 56 13.560 28.891 -10.897 1.00 0.58 C ATOM 885 C ASP A 56 14.261 27.581 -10.492 1.00 0.44 C ATOM 886 O ASP A 56 14.723 26.857 -11.347 1.00 0.38 O ATOM 887 CB ASP A 56 14.432 30.065 -10.736 1.00 0.62 C ATOM 888 CG ASP A 56 14.101 31.170 -11.701 1.00 0.76 C ATOM 889 OD1 ASP A 56 13.703 30.867 -12.816 1.00 1.46 O ATOM 890 OD2 ASP A 56 14.305 32.259 -11.205 1.00 1.23 O ATOM 0 H ASP A 56 12.252 30.026 -9.639 1.00 0.53 H new ATOM 0 HA ASP A 56 13.312 28.756 -11.950 1.00 0.58 H new ATOM 0 HB2 ASP A 56 14.345 30.440 -9.716 1.00 0.62 H new ATOM 0 HB3 ASP A 56 15.470 29.764 -10.877 1.00 0.62 H new ATOM 895 N ALA A 57 14.346 27.296 -9.216 1.00 0.42 N ATOM 896 CA ALA A 57 15.005 26.041 -8.776 1.00 0.32 C ATOM 897 C ALA A 57 14.320 24.862 -9.502 1.00 0.24 C ATOM 898 O ALA A 57 14.967 24.033 -10.101 1.00 0.37 O ATOM 899 CB ALA A 57 14.910 26.001 -7.265 1.00 0.20 C ATOM 0 H ALA A 57 13.985 27.883 -8.464 1.00 0.42 H new ATOM 0 HA ALA A 57 16.062 25.979 -9.033 1.00 0.32 H new ATOM 0 HB1 ALA A 57 15.383 25.092 -6.895 1.00 0.20 H new ATOM 0 HB2 ALA A 57 15.416 26.870 -6.845 1.00 0.20 H new ATOM 0 HB3 ALA A 57 13.862 26.012 -6.966 1.00 0.20 H new ATOM 905 N TRP A 58 13.021 24.803 -9.435 1.00 0.14 N ATOM 906 CA TRP A 58 12.282 23.704 -10.122 1.00 0.09 C ATOM 907 C TRP A 58 12.624 23.818 -11.582 1.00 0.11 C ATOM 908 O TRP A 58 13.049 22.851 -12.175 1.00 0.15 O ATOM 909 CB TRP A 58 10.789 23.899 -9.922 1.00 0.11 C ATOM 910 CG TRP A 58 9.971 22.896 -10.766 1.00 0.10 C ATOM 911 CD1 TRP A 58 10.397 21.815 -11.497 1.00 0.12 C ATOM 912 CD2 TRP A 58 8.635 22.983 -10.873 1.00 0.17 C ATOM 913 NE1 TRP A 58 9.246 21.352 -11.982 1.00 0.18 N ATOM 914 CE2 TRP A 58 8.149 21.984 -11.658 1.00 0.21 C ATOM 915 CE3 TRP A 58 7.779 23.887 -10.310 1.00 0.22 C ATOM 916 CZ2 TRP A 58 6.804 21.857 -11.897 1.00 0.30 C ATOM 917 CZ3 TRP A 58 6.431 23.781 -10.536 1.00 0.31 C ATOM 918 CH2 TRP A 58 5.937 22.766 -11.326 1.00 0.34 C ATOM 0 H TRP A 58 12.435 25.470 -8.933 1.00 0.14 H new ATOM 0 HA TRP A 58 12.553 22.725 -9.728 1.00 0.09 H new ATOM 0 HB2 TRP A 58 10.543 23.775 -8.867 1.00 0.11 H new ATOM 0 HB3 TRP A 58 10.514 24.917 -10.196 1.00 0.11 H new ATOM 0 HD1 TRP A 58 11.399 21.440 -11.641 1.00 0.12 H new ATOM 0 HE1 TRP A 58 9.222 20.531 -12.587 1.00 0.18 H new ATOM 0 HE3 TRP A 58 8.163 24.683 -9.689 1.00 0.22 H new ATOM 0 HZ2 TRP A 58 6.430 21.059 -12.521 1.00 0.30 H new ATOM 0 HZ3 TRP A 58 5.754 24.496 -10.093 1.00 0.31 H new ATOM 0 HH2 TRP A 58 4.874 22.682 -11.498 1.00 0.34 H new ATOM 929 N ASN A 59 12.431 24.972 -12.137 1.00 0.16 N ATOM 930 CA ASN A 59 12.739 25.200 -13.571 1.00 0.18 C ATOM 931 C ASN A 59 14.072 24.486 -13.952 1.00 0.18 C ATOM 932 O ASN A 59 14.086 23.704 -14.877 1.00 0.20 O ATOM 933 CB ASN A 59 12.690 26.716 -13.683 1.00 0.25 C ATOM 934 CG ASN A 59 13.178 27.325 -14.954 1.00 0.47 C ATOM 935 OD1 ASN A 59 12.939 26.874 -16.057 1.00 0.47 O ATOM 936 ND2 ASN A 59 13.881 28.394 -14.774 1.00 0.71 N ATOM 0 H ASN A 59 12.064 25.788 -11.647 1.00 0.16 H new ATOM 0 HA ASN A 59 12.050 24.768 -14.297 1.00 0.18 H new ATOM 0 HB2 ASN A 59 11.658 27.032 -13.532 1.00 0.25 H new ATOM 0 HB3 ASN A 59 13.274 27.134 -12.863 1.00 0.25 H new ATOM 0 HD21 ASN A 59 14.261 28.896 -15.577 1.00 0.71 H new ATOM 0 HD22 ASN A 59 14.056 28.736 -13.829 1.00 0.71 H new ATOM 943 N GLU A 60 15.106 24.777 -13.203 1.00 0.21 N ATOM 944 CA GLU A 60 16.487 24.211 -13.375 1.00 0.26 C ATOM 945 C GLU A 60 16.494 22.705 -13.736 1.00 0.27 C ATOM 946 O GLU A 60 17.352 22.168 -14.407 1.00 0.35 O ATOM 947 CB GLU A 60 17.190 24.472 -12.010 1.00 0.31 C ATOM 948 CG GLU A 60 18.718 24.212 -12.036 1.00 0.27 C ATOM 949 CD GLU A 60 19.508 25.282 -12.800 1.00 1.35 C ATOM 950 OE1 GLU A 60 19.303 25.386 -13.997 1.00 2.63 O ATOM 951 OE2 GLU A 60 20.289 25.941 -12.133 1.00 1.70 O ATOM 0 H GLU A 60 15.043 25.431 -12.423 1.00 0.21 H new ATOM 0 HA GLU A 60 16.999 24.684 -14.213 1.00 0.26 H new ATOM 0 HB2 GLU A 60 17.011 25.505 -11.711 1.00 0.31 H new ATOM 0 HB3 GLU A 60 16.735 23.837 -11.250 1.00 0.31 H new ATOM 0 HG2 GLU A 60 19.087 24.161 -11.012 1.00 0.27 H new ATOM 0 HG3 GLU A 60 18.905 23.239 -12.491 1.00 0.27 H new ATOM 958 N LEU A 61 15.482 22.058 -13.250 1.00 0.21 N ATOM 959 CA LEU A 61 15.263 20.608 -13.449 1.00 0.27 C ATOM 960 C LEU A 61 14.614 20.172 -14.747 1.00 0.36 C ATOM 961 O LEU A 61 14.982 19.171 -15.331 1.00 0.50 O ATOM 962 CB LEU A 61 14.333 20.234 -12.380 1.00 0.22 C ATOM 963 CG LEU A 61 14.875 20.714 -11.035 1.00 0.19 C ATOM 964 CD1 LEU A 61 14.002 20.106 -10.086 1.00 0.18 C ATOM 965 CD2 LEU A 61 16.279 20.264 -10.782 1.00 0.26 C ATOM 0 H LEU A 61 14.756 22.505 -12.690 1.00 0.21 H new ATOM 0 HA LEU A 61 16.247 20.138 -13.457 1.00 0.27 H new ATOM 0 HB2 LEU A 61 13.353 20.674 -12.566 1.00 0.22 H new ATOM 0 HB3 LEU A 61 14.198 19.152 -12.364 1.00 0.22 H new ATOM 0 HG LEU A 61 14.905 21.803 -10.987 1.00 0.19 H new ATOM 0 HD11 LEU A 61 14.306 20.389 -9.078 1.00 0.18 H new ATOM 0 HD12 LEU A 61 12.980 20.442 -10.264 1.00 0.18 H new ATOM 0 HD13 LEU A 61 14.051 19.022 -10.189 1.00 0.18 H new ATOM 0 HD21 LEU A 61 16.611 20.635 -9.812 1.00 0.26 H new ATOM 0 HD22 LEU A 61 16.318 19.175 -10.787 1.00 0.26 H new ATOM 0 HD23 LEU A 61 16.932 20.654 -11.562 1.00 0.26 H new ATOM 977 N LYS A 62 13.660 20.985 -15.121 1.00 0.31 N ATOM 978 CA LYS A 62 12.826 20.815 -16.341 1.00 0.40 C ATOM 979 C LYS A 62 13.345 19.787 -17.386 1.00 0.40 C ATOM 980 O LYS A 62 13.833 20.029 -18.478 1.00 0.39 O ATOM 981 CB LYS A 62 12.343 22.173 -16.848 1.00 0.38 C ATOM 982 CG LYS A 62 11.485 21.851 -18.078 1.00 0.55 C ATOM 983 CD LYS A 62 12.217 22.344 -19.361 1.00 0.76 C ATOM 984 CE LYS A 62 11.639 21.683 -20.624 1.00 1.24 C ATOM 985 NZ LYS A 62 12.216 20.304 -20.743 1.00 1.99 N ATOM 0 H LYS A 62 13.414 21.818 -14.586 1.00 0.31 H new ATOM 0 HA LYS A 62 11.921 20.280 -16.054 1.00 0.40 H new ATOM 0 HB2 LYS A 62 11.763 22.696 -16.087 1.00 0.38 H new ATOM 0 HB3 LYS A 62 13.182 22.819 -17.109 1.00 0.38 H new ATOM 0 HG2 LYS A 62 11.304 20.778 -18.138 1.00 0.55 H new ATOM 0 HG3 LYS A 62 10.512 22.334 -17.993 1.00 0.55 H new ATOM 0 HD2 LYS A 62 12.126 23.427 -19.441 1.00 0.76 H new ATOM 0 HD3 LYS A 62 13.281 22.119 -19.285 1.00 0.76 H new ATOM 0 HE2 LYS A 62 10.552 21.635 -20.563 1.00 1.24 H new ATOM 0 HE3 LYS A 62 11.883 22.274 -21.507 1.00 1.24 H new ATOM 0 HZ1 LYS A 62 12.544 20.148 -21.717 1.00 1.99 H new ATOM 0 HZ2 LYS A 62 13.018 20.205 -20.088 1.00 1.99 H new ATOM 0 HZ3 LYS A 62 11.487 19.601 -20.506 1.00 1.99 H new ATOM 999 N GLY A 63 13.122 18.612 -16.907 1.00 0.45 N ATOM 1000 CA GLY A 63 13.479 17.332 -17.575 1.00 0.48 C ATOM 1001 C GLY A 63 14.423 16.428 -16.753 1.00 0.62 C ATOM 1002 O GLY A 63 15.115 15.641 -17.366 1.00 0.82 O ATOM 0 H GLY A 63 12.669 18.472 -16.004 1.00 0.45 H new ATOM 0 HA2 GLY A 63 12.564 16.781 -17.791 1.00 0.48 H new ATOM 0 HA3 GLY A 63 13.950 17.554 -18.532 1.00 0.48 H new ATOM 1006 N THR A 64 14.480 16.494 -15.434 1.00 0.54 N ATOM 1007 CA THR A 64 15.411 15.573 -14.713 1.00 0.70 C ATOM 1008 C THR A 64 14.683 14.243 -14.618 1.00 0.80 C ATOM 1009 O THR A 64 13.472 14.240 -14.499 1.00 0.81 O ATOM 1010 CB THR A 64 15.583 16.099 -13.250 1.00 0.68 C ATOM 1011 OG1 THR A 64 16.970 16.323 -13.094 1.00 0.71 O ATOM 1012 CG2 THR A 64 15.252 15.049 -12.146 1.00 0.71 C ATOM 0 H THR A 64 13.937 17.128 -14.848 1.00 0.54 H new ATOM 0 HA THR A 64 16.376 15.498 -15.214 1.00 0.70 H new ATOM 0 HB THR A 64 14.920 16.956 -13.132 1.00 0.68 H new ATOM 0 HG1 THR A 64 17.148 16.658 -12.190 1.00 0.71 H new ATOM 0 HG21 THR A 64 15.398 15.497 -11.163 1.00 0.71 H new ATOM 0 HG22 THR A 64 14.216 14.728 -12.249 1.00 0.71 H new ATOM 0 HG23 THR A 64 15.911 14.188 -12.254 1.00 0.71 H new ATOM 1020 N SER A 65 15.389 13.146 -14.661 1.00 0.89 N ATOM 1021 CA SER A 65 14.737 11.792 -14.555 1.00 1.03 C ATOM 1022 C SER A 65 13.695 11.830 -13.412 1.00 0.88 C ATOM 1023 O SER A 65 14.030 11.646 -12.264 1.00 0.81 O ATOM 1024 CB SER A 65 15.843 10.779 -14.236 1.00 1.25 C ATOM 1025 OG SER A 65 16.776 11.049 -15.278 1.00 2.53 O ATOM 0 H SER A 65 16.403 13.122 -14.766 1.00 0.89 H new ATOM 0 HA SER A 65 14.230 11.515 -15.479 1.00 1.03 H new ATOM 0 HB2 SER A 65 16.273 10.938 -13.247 1.00 1.25 H new ATOM 0 HB3 SER A 65 15.480 9.751 -14.265 1.00 1.25 H new ATOM 0 HG SER A 65 17.550 10.455 -15.186 1.00 2.53 H new ATOM 1031 N LYS A 66 12.463 12.109 -13.734 1.00 0.93 N ATOM 1032 CA LYS A 66 11.319 12.188 -12.755 1.00 0.86 C ATOM 1033 C LYS A 66 11.439 11.360 -11.439 1.00 0.58 C ATOM 1034 O LYS A 66 11.036 11.775 -10.371 1.00 0.51 O ATOM 1035 CB LYS A 66 10.105 11.752 -13.556 1.00 1.05 C ATOM 1036 CG LYS A 66 8.815 12.179 -12.840 1.00 0.66 C ATOM 1037 CD LYS A 66 7.632 11.950 -13.793 1.00 0.70 C ATOM 1038 CE LYS A 66 6.317 12.224 -13.072 1.00 0.80 C ATOM 1039 NZ LYS A 66 6.211 13.681 -12.713 1.00 1.86 N ATOM 0 H LYS A 66 12.179 12.298 -14.695 1.00 0.93 H new ATOM 0 HA LYS A 66 11.277 13.205 -12.366 1.00 0.86 H new ATOM 0 HB2 LYS A 66 10.140 12.194 -14.552 1.00 1.05 H new ATOM 0 HB3 LYS A 66 10.116 10.670 -13.686 1.00 1.05 H new ATOM 0 HG2 LYS A 66 8.681 11.603 -11.924 1.00 0.66 H new ATOM 0 HG3 LYS A 66 8.871 13.228 -12.551 1.00 0.66 H new ATOM 0 HD2 LYS A 66 7.723 12.603 -14.661 1.00 0.70 H new ATOM 0 HD3 LYS A 66 7.646 10.925 -14.163 1.00 0.70 H new ATOM 0 HE2 LYS A 66 5.479 11.937 -13.708 1.00 0.80 H new ATOM 0 HE3 LYS A 66 6.255 11.615 -12.170 1.00 0.80 H new ATOM 0 HZ1 LYS A 66 5.220 13.986 -12.790 1.00 1.86 H new ATOM 0 HZ2 LYS A 66 6.543 13.823 -11.738 1.00 1.86 H new ATOM 0 HZ3 LYS A 66 6.797 14.242 -13.363 1.00 1.86 H new ATOM 1053 N GLU A 67 12.000 10.203 -11.575 1.00 0.43 N ATOM 1054 CA GLU A 67 12.219 9.237 -10.478 1.00 0.20 C ATOM 1055 C GLU A 67 13.309 9.812 -9.596 1.00 0.10 C ATOM 1056 O GLU A 67 13.198 9.840 -8.387 1.00 0.13 O ATOM 1057 CB GLU A 67 12.622 7.942 -11.209 1.00 0.24 C ATOM 1058 CG GLU A 67 11.369 7.348 -11.968 1.00 1.03 C ATOM 1059 CD GLU A 67 10.872 8.274 -13.089 1.00 2.78 C ATOM 1060 OE1 GLU A 67 11.735 8.762 -13.809 1.00 3.88 O ATOM 1061 OE2 GLU A 67 9.666 8.434 -13.140 1.00 3.30 O ATOM 0 H GLU A 67 12.341 9.865 -12.475 1.00 0.43 H new ATOM 0 HA GLU A 67 11.366 9.040 -9.828 1.00 0.20 H new ATOM 0 HB2 GLU A 67 13.425 8.147 -11.917 1.00 0.24 H new ATOM 0 HB3 GLU A 67 13.006 7.214 -10.494 1.00 0.24 H new ATOM 0 HG2 GLU A 67 11.630 6.378 -12.390 1.00 1.03 H new ATOM 0 HG3 GLU A 67 10.562 7.179 -11.255 1.00 1.03 H new ATOM 1068 N ASP A 68 14.367 10.258 -10.220 1.00 0.26 N ATOM 1069 CA ASP A 68 15.485 10.856 -9.490 1.00 0.35 C ATOM 1070 C ASP A 68 14.946 11.924 -8.614 1.00 0.24 C ATOM 1071 O ASP A 68 15.277 11.978 -7.448 1.00 0.28 O ATOM 1072 CB ASP A 68 16.515 11.242 -10.510 1.00 0.60 C ATOM 1073 CG ASP A 68 17.201 9.945 -10.819 1.00 0.98 C ATOM 1074 OD1 ASP A 68 18.132 9.714 -10.079 1.00 2.04 O ATOM 1075 OD2 ASP A 68 16.762 9.231 -11.698 1.00 0.98 O ATOM 0 H ASP A 68 14.491 10.225 -11.232 1.00 0.26 H new ATOM 0 HA ASP A 68 16.002 10.189 -8.800 1.00 0.35 H new ATOM 0 HB2 ASP A 68 16.057 11.676 -11.399 1.00 0.60 H new ATOM 0 HB3 ASP A 68 17.212 11.982 -10.117 1.00 0.60 H new ATOM 1080 N ALA A 69 14.119 12.715 -9.226 1.00 0.22 N ATOM 1081 CA ALA A 69 13.471 13.841 -8.498 1.00 0.20 C ATOM 1082 C ALA A 69 12.939 13.284 -7.145 1.00 0.15 C ATOM 1083 O ALA A 69 13.269 13.873 -6.139 1.00 0.10 O ATOM 1084 CB ALA A 69 12.413 14.401 -9.400 1.00 0.23 C ATOM 0 H ALA A 69 13.859 12.632 -10.209 1.00 0.22 H new ATOM 0 HA ALA A 69 14.148 14.659 -8.253 1.00 0.20 H new ATOM 0 HB1 ALA A 69 11.912 15.231 -8.902 1.00 0.23 H new ATOM 0 HB2 ALA A 69 12.872 14.755 -10.323 1.00 0.23 H new ATOM 0 HB3 ALA A 69 11.684 13.624 -9.632 1.00 0.23 H new ATOM 1090 N MET A 70 12.170 12.211 -7.142 1.00 0.17 N ATOM 1091 CA MET A 70 11.628 11.594 -5.918 1.00 0.15 C ATOM 1092 C MET A 70 12.727 11.023 -5.018 1.00 0.17 C ATOM 1093 O MET A 70 12.835 11.385 -3.866 1.00 0.18 O ATOM 1094 CB MET A 70 10.804 10.367 -6.377 1.00 0.18 C ATOM 1095 CG MET A 70 9.479 10.754 -7.016 1.00 0.22 C ATOM 1096 SD MET A 70 8.247 9.439 -7.197 1.00 0.35 S ATOM 1097 CE MET A 70 6.770 10.437 -6.870 1.00 0.34 C ATOM 0 H MET A 70 11.893 11.727 -7.996 1.00 0.17 H new ATOM 0 HA MET A 70 11.067 12.352 -5.371 1.00 0.15 H new ATOM 0 HB2 MET A 70 11.390 9.787 -7.090 1.00 0.18 H new ATOM 0 HB3 MET A 70 10.614 9.721 -5.520 1.00 0.18 H new ATOM 0 HG2 MET A 70 9.037 11.555 -6.423 1.00 0.22 H new ATOM 0 HG3 MET A 70 9.685 11.165 -8.004 1.00 0.22 H new ATOM 0 HE1 MET A 70 5.931 10.045 -7.445 1.00 0.34 H new ATOM 0 HE2 MET A 70 6.532 10.397 -5.807 1.00 0.34 H new ATOM 0 HE3 MET A 70 6.958 11.471 -7.161 1.00 0.34 H new ATOM 1107 N LYS A 71 13.506 10.129 -5.570 1.00 0.19 N ATOM 1108 CA LYS A 71 14.622 9.483 -4.820 1.00 0.21 C ATOM 1109 C LYS A 71 15.298 10.631 -4.055 1.00 0.21 C ATOM 1110 O LYS A 71 15.232 10.692 -2.845 1.00 0.23 O ATOM 1111 CB LYS A 71 15.529 8.737 -5.848 1.00 0.27 C ATOM 1112 CG LYS A 71 14.691 7.646 -6.604 1.00 0.69 C ATOM 1113 CD LYS A 71 15.542 6.543 -7.336 1.00 1.03 C ATOM 1114 CE LYS A 71 16.652 7.013 -8.311 1.00 0.92 C ATOM 1115 NZ LYS A 71 16.112 7.946 -9.343 1.00 1.70 N ATOM 0 H LYS A 71 13.411 9.813 -6.535 1.00 0.19 H new ATOM 0 HA LYS A 71 14.326 8.720 -4.100 1.00 0.21 H new ATOM 0 HB2 LYS A 71 15.946 9.448 -6.562 1.00 0.27 H new ATOM 0 HB3 LYS A 71 16.370 8.271 -5.334 1.00 0.27 H new ATOM 0 HG2 LYS A 71 14.029 7.158 -5.889 1.00 0.69 H new ATOM 0 HG3 LYS A 71 14.057 8.141 -7.339 1.00 0.69 H new ATOM 0 HD2 LYS A 71 16.009 5.919 -6.573 1.00 1.03 H new ATOM 0 HD3 LYS A 71 14.855 5.905 -7.893 1.00 1.03 H new ATOM 0 HE2 LYS A 71 17.445 7.508 -7.750 1.00 0.92 H new ATOM 0 HE3 LYS A 71 17.099 6.147 -8.800 1.00 0.92 H new ATOM 0 HZ1 LYS A 71 16.079 7.464 -10.264 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 15.153 8.244 -9.073 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 16.728 8.781 -9.412 1.00 1.70 H new ATOM 1129 N ALA A 72 15.873 11.511 -4.838 1.00 0.23 N ATOM 1130 CA ALA A 72 16.576 12.699 -4.301 1.00 0.25 C ATOM 1131 C ALA A 72 15.664 13.333 -3.238 1.00 0.22 C ATOM 1132 O ALA A 72 16.011 13.409 -2.081 1.00 0.30 O ATOM 1133 CB ALA A 72 16.808 13.622 -5.511 1.00 0.26 C ATOM 0 H ALA A 72 15.880 11.445 -5.856 1.00 0.23 H new ATOM 0 HA ALA A 72 17.532 12.480 -3.825 1.00 0.25 H new ATOM 0 HB1 ALA A 72 17.326 14.524 -5.186 1.00 0.26 H new ATOM 0 HB2 ALA A 72 17.414 13.103 -6.254 1.00 0.26 H new ATOM 0 HB3 ALA A 72 15.848 13.893 -5.951 1.00 0.26 H new ATOM 1139 N TYR A 73 14.511 13.766 -3.669 1.00 0.15 N ATOM 1140 CA TYR A 73 13.512 14.399 -2.767 1.00 0.19 C ATOM 1141 C TYR A 73 13.476 13.828 -1.339 1.00 0.24 C ATOM 1142 O TYR A 73 13.543 14.558 -0.370 1.00 0.38 O ATOM 1143 CB TYR A 73 12.144 14.057 -3.352 1.00 0.26 C ATOM 1144 CG TYR A 73 11.140 14.995 -2.773 1.00 0.16 C ATOM 1145 CD1 TYR A 73 11.087 16.273 -3.231 1.00 1.54 C ATOM 1146 CD2 TYR A 73 10.306 14.590 -1.779 1.00 1.54 C ATOM 1147 CE1 TYR A 73 10.203 17.153 -2.676 1.00 1.64 C ATOM 1148 CE2 TYR A 73 9.431 15.486 -1.247 1.00 1.41 C ATOM 1149 CZ TYR A 73 9.374 16.774 -1.687 1.00 0.19 C ATOM 1150 OH TYR A 73 8.512 17.718 -1.181 1.00 0.33 O ATOM 0 H TYR A 73 14.213 13.704 -4.642 1.00 0.15 H new ATOM 0 HA TYR A 73 13.769 15.456 -2.703 1.00 0.19 H new ATOM 0 HB2 TYR A 73 12.163 14.144 -4.438 1.00 0.26 H new ATOM 0 HB3 TYR A 73 11.879 13.026 -3.120 1.00 0.26 H new ATOM 0 HD1 TYR A 73 11.741 16.591 -4.030 1.00 1.54 H new ATOM 0 HD2 TYR A 73 10.337 13.573 -1.417 1.00 1.54 H new ATOM 0 HE1 TYR A 73 10.169 18.170 -3.037 1.00 1.64 H new ATOM 0 HE2 TYR A 73 8.766 15.169 -0.457 1.00 1.41 H new ATOM 0 HH TYR A 73 7.750 17.824 -1.788 1.00 0.33 H new ATOM 1160 N ILE A 74 13.380 12.524 -1.288 1.00 0.16 N ATOM 1161 CA ILE A 74 13.318 11.845 0.052 1.00 0.22 C ATOM 1162 C ILE A 74 14.713 11.850 0.616 1.00 0.27 C ATOM 1163 O ILE A 74 14.954 12.393 1.670 1.00 0.34 O ATOM 1164 CB ILE A 74 13.054 10.292 -0.009 1.00 0.22 C ATOM 1165 CG1 ILE A 74 11.996 9.878 -0.998 1.00 0.28 C ATOM 1166 CG2 ILE A 74 12.681 9.893 1.425 1.00 0.20 C ATOM 1167 CD1 ILE A 74 12.201 8.396 -1.336 1.00 0.64 C ATOM 0 H ILE A 74 13.342 11.905 -2.098 1.00 0.16 H new ATOM 0 HA ILE A 74 12.531 12.366 0.597 1.00 0.22 H new ATOM 0 HB ILE A 74 13.944 9.777 -0.371 1.00 0.22 H new ATOM 0 HG12 ILE A 74 11.002 10.037 -0.579 1.00 0.28 H new ATOM 0 HG13 ILE A 74 12.062 10.485 -1.901 1.00 0.28 H new ATOM 0 HG21 ILE A 74 12.482 8.822 1.465 1.00 0.20 H new ATOM 0 HG22 ILE A 74 13.506 10.134 2.096 1.00 0.20 H new ATOM 0 HG23 ILE A 74 11.790 10.439 1.735 1.00 0.20 H new ATOM 0 HD11 ILE A 74 11.443 8.078 -2.052 1.00 0.64 H new ATOM 0 HD12 ILE A 74 13.191 8.255 -1.769 1.00 0.64 H new ATOM 0 HD13 ILE A 74 12.115 7.800 -0.427 1.00 0.64 H new ATOM 1179 N ASP A 75 15.581 11.230 -0.133 1.00 0.24 N ATOM 1180 CA ASP A 75 17.010 11.101 0.231 1.00 0.31 C ATOM 1181 C ASP A 75 17.602 12.391 0.837 1.00 0.38 C ATOM 1182 O ASP A 75 18.468 12.385 1.694 1.00 0.51 O ATOM 1183 CB ASP A 75 17.677 10.609 -1.057 1.00 0.29 C ATOM 1184 CG ASP A 75 17.140 9.264 -1.590 1.00 0.24 C ATOM 1185 OD1 ASP A 75 16.325 8.637 -0.930 1.00 1.25 O ATOM 1186 OD2 ASP A 75 17.599 8.937 -2.670 1.00 0.99 O ATOM 0 H ASP A 75 15.341 10.790 -1.021 1.00 0.24 H new ATOM 0 HA ASP A 75 17.181 10.396 1.044 1.00 0.31 H new ATOM 0 HB2 ASP A 75 17.548 11.367 -1.829 1.00 0.29 H new ATOM 0 HB3 ASP A 75 18.748 10.512 -0.881 1.00 0.29 H new ATOM 1191 N LYS A 76 17.088 13.482 0.350 1.00 0.28 N ATOM 1192 CA LYS A 76 17.508 14.837 0.790 1.00 0.33 C ATOM 1193 C LYS A 76 16.529 15.329 1.856 1.00 0.40 C ATOM 1194 O LYS A 76 16.913 16.100 2.717 1.00 0.55 O ATOM 1195 CB LYS A 76 17.624 15.702 -0.470 1.00 0.17 C ATOM 1196 CG LYS A 76 19.053 16.356 -0.573 1.00 0.35 C ATOM 1197 CD LYS A 76 20.189 15.280 -0.362 1.00 1.29 C ATOM 1198 CE LYS A 76 21.600 15.698 -0.844 1.00 1.72 C ATOM 1199 NZ LYS A 76 21.944 17.062 -0.352 1.00 1.00 N ATOM 0 H LYS A 76 16.362 13.488 -0.367 1.00 0.28 H new ATOM 0 HA LYS A 76 18.484 14.867 1.275 1.00 0.33 H new ATOM 0 HB2 LYS A 76 17.434 15.092 -1.353 1.00 0.17 H new ATOM 0 HB3 LYS A 76 16.863 16.482 -0.452 1.00 0.17 H new ATOM 0 HG2 LYS A 76 19.171 16.827 -1.549 1.00 0.35 H new ATOM 0 HG3 LYS A 76 19.150 17.143 0.175 1.00 0.35 H new ATOM 0 HD2 LYS A 76 20.243 15.038 0.699 1.00 1.29 H new ATOM 0 HD3 LYS A 76 19.902 14.367 -0.883 1.00 1.29 H new ATOM 0 HE2 LYS A 76 22.339 14.980 -0.487 1.00 1.72 H new ATOM 0 HE3 LYS A 76 21.638 15.679 -1.933 1.00 1.72 H new ATOM 0 HZ1 LYS A 76 22.202 17.667 -1.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 21.124 17.471 0.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 22.747 17.001 0.306 1.00 1.00 H new ATOM 1213 N VAL A 77 15.284 14.914 1.830 1.00 0.42 N ATOM 1214 CA VAL A 77 14.362 15.382 2.882 1.00 0.45 C ATOM 1215 C VAL A 77 15.070 14.912 4.145 1.00 0.46 C ATOM 1216 O VAL A 77 15.057 15.645 5.100 1.00 0.49 O ATOM 1217 CB VAL A 77 13.007 14.772 2.640 1.00 0.43 C ATOM 1218 CG1 VAL A 77 12.410 14.269 3.914 1.00 0.44 C ATOM 1219 CG2 VAL A 77 12.141 15.861 2.032 1.00 0.37 C ATOM 0 H VAL A 77 14.884 14.284 1.135 1.00 0.42 H new ATOM 0 HA VAL A 77 14.165 16.453 2.928 1.00 0.45 H new ATOM 0 HB VAL A 77 13.083 13.915 1.971 1.00 0.43 H new ATOM 0 HG11 VAL A 77 11.432 13.834 3.710 1.00 0.44 H new ATOM 0 HG12 VAL A 77 13.062 13.510 4.347 1.00 0.44 H new ATOM 0 HG13 VAL A 77 12.300 15.096 4.616 1.00 0.44 H new ATOM 0 HG21 VAL A 77 11.144 15.466 1.837 1.00 0.37 H new ATOM 0 HG22 VAL A 77 12.071 16.699 2.725 1.00 0.37 H new ATOM 0 HG23 VAL A 77 12.586 16.200 1.097 1.00 0.37 H new ATOM 1229 N GLU A 78 15.628 13.724 4.115 1.00 0.46 N ATOM 1230 CA GLU A 78 16.364 13.231 5.338 1.00 0.47 C ATOM 1231 C GLU A 78 17.203 14.393 5.883 1.00 0.49 C ATOM 1232 O GLU A 78 17.011 14.785 7.023 1.00 0.51 O ATOM 1233 CB GLU A 78 17.287 12.037 5.014 1.00 0.40 C ATOM 1234 CG GLU A 78 18.275 11.851 6.233 1.00 0.74 C ATOM 1235 CD GLU A 78 19.066 10.546 6.163 1.00 2.28 C ATOM 1236 OE1 GLU A 78 18.411 9.514 6.189 1.00 2.51 O ATOM 1237 OE2 GLU A 78 20.278 10.675 6.097 1.00 3.61 O ATOM 0 H GLU A 78 15.611 13.084 3.321 1.00 0.46 H new ATOM 0 HA GLU A 78 15.636 12.887 6.073 1.00 0.47 H new ATOM 0 HB2 GLU A 78 16.701 11.132 4.855 1.00 0.40 H new ATOM 0 HB3 GLU A 78 17.843 12.222 4.095 1.00 0.40 H new ATOM 0 HG2 GLU A 78 18.970 12.690 6.262 1.00 0.74 H new ATOM 0 HG3 GLU A 78 17.706 11.876 7.162 1.00 0.74 H new ATOM 1244 N GLU A 79 18.095 14.905 5.062 1.00 0.65 N ATOM 1245 CA GLU A 79 18.959 16.048 5.487 1.00 0.68 C ATOM 1246 C GLU A 79 18.021 16.998 6.233 1.00 0.67 C ATOM 1247 O GLU A 79 18.252 17.295 7.383 1.00 0.75 O ATOM 1248 CB GLU A 79 19.604 16.760 4.283 1.00 0.64 C ATOM 1249 CG GLU A 79 20.585 15.826 3.479 1.00 0.81 C ATOM 1250 CD GLU A 79 21.330 16.650 2.427 1.00 1.03 C ATOM 1251 OE1 GLU A 79 20.735 17.564 1.887 1.00 1.45 O ATOM 1252 OE2 GLU A 79 22.483 16.355 2.157 1.00 1.36 O ATOM 0 H GLU A 79 18.259 14.575 4.111 1.00 0.65 H new ATOM 0 HA GLU A 79 19.788 15.706 6.107 1.00 0.68 H new ATOM 0 HB2 GLU A 79 18.820 17.118 3.615 1.00 0.64 H new ATOM 0 HB3 GLU A 79 20.149 17.637 4.634 1.00 0.64 H new ATOM 0 HG2 GLU A 79 21.296 15.357 4.159 1.00 0.81 H new ATOM 0 HG3 GLU A 79 20.027 15.023 2.998 1.00 0.81 H new ATOM 1259 N LEU A 80 16.971 17.450 5.594 1.00 0.59 N ATOM 1260 CA LEU A 80 16.011 18.378 6.272 1.00 0.55 C ATOM 1261 C LEU A 80 15.499 17.857 7.602 1.00 0.50 C ATOM 1262 O LEU A 80 15.581 18.505 8.621 1.00 0.64 O ATOM 1263 CB LEU A 80 14.975 18.696 5.288 1.00 0.41 C ATOM 1264 CG LEU A 80 15.721 19.206 4.015 1.00 0.38 C ATOM 1265 CD1 LEU A 80 14.638 19.767 3.248 1.00 0.34 C ATOM 1266 CD2 LEU A 80 16.727 20.334 4.312 1.00 0.35 C ATOM 0 H LEU A 80 16.736 17.216 4.629 1.00 0.59 H new ATOM 0 HA LEU A 80 16.509 19.298 6.578 1.00 0.55 H new ATOM 0 HB2 LEU A 80 14.373 17.817 5.060 1.00 0.41 H new ATOM 0 HB3 LEU A 80 14.295 19.457 5.671 1.00 0.41 H new ATOM 0 HG LEU A 80 16.297 18.412 3.540 1.00 0.38 H new ATOM 0 HD11 LEU A 80 15.025 20.169 2.312 1.00 0.34 H new ATOM 0 HD12 LEU A 80 13.904 18.991 3.033 1.00 0.34 H new ATOM 0 HD13 LEU A 80 14.165 20.567 3.818 1.00 0.34 H new ATOM 0 HD21 LEU A 80 17.211 20.643 3.386 1.00 0.35 H new ATOM 0 HD22 LEU A 80 16.202 21.184 4.748 1.00 0.35 H new ATOM 0 HD23 LEU A 80 17.481 19.974 5.013 1.00 0.35 H new ATOM 1278 N LYS A 81 14.976 16.682 7.566 1.00 0.36 N ATOM 1279 CA LYS A 81 14.431 16.005 8.775 1.00 0.28 C ATOM 1280 C LYS A 81 15.505 15.995 9.874 1.00 0.44 C ATOM 1281 O LYS A 81 15.201 15.807 11.031 1.00 0.51 O ATOM 1282 CB LYS A 81 14.186 14.597 8.329 1.00 0.32 C ATOM 1283 CG LYS A 81 13.442 13.763 9.407 1.00 0.31 C ATOM 1284 CD LYS A 81 13.263 12.266 8.963 1.00 0.60 C ATOM 1285 CE LYS A 81 12.455 12.107 7.664 1.00 1.12 C ATOM 1286 NZ LYS A 81 11.136 12.786 7.810 1.00 1.74 N ATOM 0 H LYS A 81 14.896 16.130 6.712 1.00 0.36 H new ATOM 0 HA LYS A 81 13.538 16.493 9.166 1.00 0.28 H new ATOM 0 HB2 LYS A 81 13.600 14.605 7.410 1.00 0.32 H new ATOM 0 HB3 LYS A 81 15.138 14.120 8.096 1.00 0.32 H new ATOM 0 HG2 LYS A 81 13.998 13.801 10.344 1.00 0.31 H new ATOM 0 HG3 LYS A 81 12.464 14.205 9.598 1.00 0.31 H new ATOM 0 HD2 LYS A 81 14.246 11.815 8.828 1.00 0.60 H new ATOM 0 HD3 LYS A 81 12.766 11.715 9.761 1.00 0.60 H new ATOM 0 HE2 LYS A 81 13.005 12.536 6.827 1.00 1.12 H new ATOM 0 HE3 LYS A 81 12.309 11.050 7.442 1.00 1.12 H new ATOM 0 HZ1 LYS A 81 10.633 12.766 6.900 1.00 1.74 H new ATOM 0 HZ2 LYS A 81 10.570 12.293 8.530 1.00 1.74 H new ATOM 0 HZ3 LYS A 81 11.284 13.773 8.102 1.00 1.74 H new ATOM 1300 N LYS A 82 16.736 16.192 9.478 1.00 0.53 N ATOM 1301 CA LYS A 82 17.847 16.198 10.471 1.00 0.70 C ATOM 1302 C LYS A 82 18.194 17.640 10.861 1.00 0.76 C ATOM 1303 O LYS A 82 18.197 18.021 12.009 1.00 0.75 O ATOM 1304 CB LYS A 82 18.994 15.462 9.722 1.00 0.83 C ATOM 1305 CG LYS A 82 20.279 16.258 9.528 1.00 1.65 C ATOM 1306 CD LYS A 82 21.401 15.280 9.073 1.00 1.95 C ATOM 1307 CE LYS A 82 22.792 15.933 9.125 1.00 3.32 C ATOM 1308 NZ LYS A 82 22.974 16.478 10.512 1.00 4.26 N ATOM 0 H LYS A 82 17.018 16.349 8.510 1.00 0.53 H new ATOM 0 HA LYS A 82 17.616 15.708 11.417 1.00 0.70 H new ATOM 0 HB2 LYS A 82 19.233 14.550 10.269 1.00 0.83 H new ATOM 0 HB3 LYS A 82 18.626 15.158 8.742 1.00 0.83 H new ATOM 0 HG2 LYS A 82 20.132 17.039 8.782 1.00 1.65 H new ATOM 0 HG3 LYS A 82 20.562 16.753 10.457 1.00 1.65 H new ATOM 0 HD2 LYS A 82 21.392 14.396 9.711 1.00 1.95 H new ATOM 0 HD3 LYS A 82 21.197 14.942 8.057 1.00 1.95 H new ATOM 0 HE2 LYS A 82 23.568 15.204 8.893 1.00 3.32 H new ATOM 0 HE3 LYS A 82 22.871 16.729 8.385 1.00 3.32 H new ATOM 0 HZ1 LYS A 82 23.988 16.507 10.743 1.00 4.26 H new ATOM 0 HZ2 LYS A 82 22.580 17.439 10.562 1.00 4.26 H new ATOM 0 HZ3 LYS A 82 22.481 15.866 11.193 1.00 4.26 H new ATOM 1322 N LYS A 83 18.495 18.376 9.841 1.00 0.85 N ATOM 1323 CA LYS A 83 18.871 19.813 9.916 1.00 0.96 C ATOM 1324 C LYS A 83 17.773 20.648 10.595 1.00 0.94 C ATOM 1325 O LYS A 83 17.973 21.399 11.528 1.00 1.02 O ATOM 1326 CB LYS A 83 19.081 20.217 8.452 1.00 1.03 C ATOM 1327 CG LYS A 83 19.782 21.584 8.322 1.00 1.15 C ATOM 1328 CD LYS A 83 19.838 21.919 6.812 1.00 1.63 C ATOM 1329 CE LYS A 83 20.495 23.291 6.575 1.00 1.32 C ATOM 1330 NZ LYS A 83 19.965 23.822 5.290 1.00 1.99 N ATOM 0 H LYS A 83 18.496 18.014 8.887 1.00 0.85 H new ATOM 0 HA LYS A 83 19.762 19.984 10.521 1.00 0.96 H new ATOM 0 HB2 LYS A 83 19.676 19.456 7.948 1.00 1.03 H new ATOM 0 HB3 LYS A 83 18.117 20.255 7.945 1.00 1.03 H new ATOM 0 HG2 LYS A 83 19.234 22.352 8.868 1.00 1.15 H new ATOM 0 HG3 LYS A 83 20.785 21.545 8.746 1.00 1.15 H new ATOM 0 HD2 LYS A 83 20.399 21.147 6.285 1.00 1.63 H new ATOM 0 HD3 LYS A 83 18.830 21.918 6.398 1.00 1.63 H new ATOM 0 HE2 LYS A 83 20.267 23.972 7.395 1.00 1.32 H new ATOM 0 HE3 LYS A 83 21.580 23.195 6.532 1.00 1.32 H new ATOM 0 HZ1 LYS A 83 20.711 24.357 4.801 1.00 1.99 H new ATOM 0 HZ2 LYS A 83 19.655 23.032 4.689 1.00 1.99 H new ATOM 0 HZ3 LYS A 83 19.158 24.450 5.480 1.00 1.99 H new ATOM 1344 N TYR A 84 16.623 20.464 10.045 1.00 0.83 N ATOM 1345 CA TYR A 84 15.397 21.152 10.526 1.00 0.82 C ATOM 1346 C TYR A 84 14.680 20.292 11.581 1.00 0.84 C ATOM 1347 O TYR A 84 14.324 20.845 12.608 1.00 0.90 O ATOM 1348 CB TYR A 84 14.587 21.503 9.251 1.00 0.72 C ATOM 1349 CG TYR A 84 15.480 22.465 8.434 1.00 0.71 C ATOM 1350 CD1 TYR A 84 15.962 23.608 9.044 1.00 1.04 C ATOM 1351 CD2 TYR A 84 15.846 22.223 7.120 1.00 1.71 C ATOM 1352 CE1 TYR A 84 16.783 24.491 8.393 1.00 1.00 C ATOM 1353 CE2 TYR A 84 16.676 23.121 6.472 1.00 1.73 C ATOM 1354 CZ TYR A 84 17.156 24.264 7.093 1.00 0.72 C ATOM 1355 OH TYR A 84 17.973 25.162 6.422 1.00 0.73 O ATOM 0 H TYR A 84 16.469 19.843 9.251 1.00 0.83 H new ATOM 0 HA TYR A 84 15.588 22.081 11.063 1.00 0.82 H new ATOM 0 HB2 TYR A 84 14.352 20.606 8.678 1.00 0.72 H new ATOM 0 HB3 TYR A 84 13.638 21.974 9.508 1.00 0.72 H new ATOM 0 HD1 TYR A 84 15.682 23.812 10.067 1.00 1.04 H new ATOM 0 HD2 TYR A 84 15.487 21.343 6.607 1.00 1.71 H new ATOM 0 HE1 TYR A 84 17.139 25.372 8.907 1.00 1.00 H new ATOM 0 HE2 TYR A 84 16.959 22.925 5.448 1.00 1.73 H new ATOM 0 HH TYR A 84 18.565 25.608 7.063 1.00 0.73 H new ATOM 1365 N GLY A 85 14.480 19.025 11.311 1.00 0.82 N ATOM 1366 CA GLY A 85 13.799 18.149 12.321 1.00 0.91 C ATOM 1367 C GLY A 85 12.301 17.950 12.225 1.00 0.90 C ATOM 1368 O GLY A 85 11.559 18.871 11.956 1.00 0.83 O ATOM 0 H GLY A 85 14.755 18.561 10.445 1.00 0.82 H new ATOM 0 HA2 GLY A 85 14.266 17.165 12.272 1.00 0.91 H new ATOM 0 HA3 GLY A 85 14.015 18.556 13.309 1.00 0.91 H new ATOM 1372 N ILE A 86 11.882 16.743 12.437 1.00 1.19 N ATOM 1373 CA ILE A 86 10.438 16.470 12.392 1.00 1.54 C ATOM 1374 C ILE A 86 10.113 16.778 13.882 1.00 1.42 C ATOM 1375 O ILE A 86 9.292 17.642 14.140 1.00 1.20 O ATOM 1376 CB ILE A 86 10.330 15.011 11.956 1.00 1.86 C ATOM 1377 CG1 ILE A 86 9.725 15.011 10.570 1.00 2.93 C ATOM 1378 CG2 ILE A 86 9.500 14.115 12.912 1.00 1.56 C ATOM 1379 CD1 ILE A 86 8.271 15.555 10.487 1.00 2.66 C ATOM 1380 OXT ILE A 86 10.724 16.152 14.736 1.00 1.89 O ATOM 0 H ILE A 86 12.477 15.939 12.638 1.00 1.19 H new ATOM 0 HA ILE A 86 9.770 17.014 11.724 1.00 1.54 H new ATOM 0 HB ILE A 86 11.329 14.574 11.973 1.00 1.86 H new ATOM 0 HG12 ILE A 86 10.358 15.608 9.914 1.00 2.93 H new ATOM 0 HG13 ILE A 86 9.738 13.992 10.184 1.00 2.93 H new ATOM 0 HG21 ILE A 86 9.475 13.096 12.526 1.00 1.56 H new ATOM 0 HG22 ILE A 86 9.957 14.117 13.901 1.00 1.56 H new ATOM 0 HG23 ILE A 86 8.483 14.501 12.981 1.00 1.56 H new ATOM 0 HD11 ILE A 86 7.926 15.514 9.454 1.00 2.66 H new ATOM 0 HD12 ILE A 86 7.618 14.945 11.112 1.00 2.66 H new ATOM 0 HD13 ILE A 86 8.248 16.587 10.837 1.00 2.66 H new TER 1392 ILE A 86