USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 704 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 16 MET CE :methyl -165:sc= -0.954 (180deg=-1.45!) USER MOD Set 1.2: A 24 GLN : amide:sc= -1.34 X(o=-2.3,f=-2.4) USER MOD Set 2.1: A 19 TYR OH : rot -157:sc= 0.181 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.829 USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0188 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.23) USER MOD Single : A 4 MET CE :methyl -148:sc= -0.231 (180deg=-0.86) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.119 (180deg=-0.491) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 0.585 (180deg=0.396) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 130:sc= -0.387 USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.921 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0158 (180deg=-0.174) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.114 (180deg=-0.335) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0.825 (180deg=0.794) USER MOD Single : A 49 SER OG : rot 170:sc= -0.623 USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= -0.565 (180deg=-2.41!) USER MOD Single : A 54 THR OG1 : rot -89:sc= 0.153 USER MOD Single : A 55 MET CE :methyl -147:sc= -1.18 (180deg=-1.84) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.295) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.011 (180deg=-0.178) USER MOD Single : A 66 MET CE :methyl -170:sc= -0.812 (180deg=-1.15) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc=-0.00754 (180deg=-0.205) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 1.09 (180deg=1.05) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -158:sc= -0.401 USER MOD Single : A 85 LYS NZ :NH3+ 169:sc=-0.00866 (180deg=-0.138) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.922 2.586 19.935 1.00 72.11 N ATOM 2 CA GLY A 1 4.888 3.094 19.016 1.00 15.34 C ATOM 3 C GLY A 1 5.301 4.395 18.375 1.00 52.31 C ATOM 4 O GLY A 1 5.946 5.230 19.015 1.00 22.34 O ATOM 0 H1 GLY A 1 5.487 2.347 20.849 1.00 72.11 H new ATOM 0 H2 GLY A 1 6.361 1.736 19.528 1.00 72.11 H new ATOM 0 H3 GLY A 1 6.648 3.316 20.078 1.00 72.11 H new ATOM 0 HA2 GLY A 1 4.694 2.352 18.241 1.00 15.34 H new ATOM 0 HA3 GLY A 1 3.955 3.237 19.561 1.00 15.34 H new ATOM 10 N SER A 2 4.942 4.572 17.121 1.00 4.41 N ATOM 11 CA SER A 2 5.292 5.774 16.399 1.00 41.15 C ATOM 12 C SER A 2 4.248 6.863 16.637 1.00 55.42 C ATOM 13 O SER A 2 3.079 6.699 16.293 1.00 62.52 O ATOM 14 CB SER A 2 5.417 5.472 14.906 1.00 52.51 C ATOM 15 OG SER A 2 6.314 4.390 14.681 1.00 21.34 O ATOM 0 H SER A 2 4.405 3.894 16.579 1.00 4.41 H new ATOM 0 HA SER A 2 6.253 6.134 16.765 1.00 41.15 H new ATOM 0 HB2 SER A 2 4.437 5.228 14.497 1.00 52.51 H new ATOM 0 HB3 SER A 2 5.771 6.359 14.380 1.00 52.51 H new ATOM 0 HG SER A 2 6.378 4.213 13.719 1.00 21.34 H new ATOM 21 N HIS A 3 4.669 7.959 17.243 1.00 31.42 N ATOM 22 CA HIS A 3 3.770 9.067 17.517 1.00 71.22 C ATOM 23 C HIS A 3 3.754 10.040 16.344 1.00 4.11 C ATOM 24 O HIS A 3 4.786 10.605 15.974 1.00 5.14 O ATOM 25 CB HIS A 3 4.140 9.790 18.837 1.00 13.03 C ATOM 26 CG HIS A 3 5.525 10.377 18.877 1.00 43.41 C ATOM 27 ND1 HIS A 3 5.799 11.686 18.558 1.00 53.42 N ATOM 28 CD2 HIS A 3 6.714 9.822 19.205 1.00 5.42 C ATOM 29 CE1 HIS A 3 7.090 11.910 18.685 1.00 72.43 C ATOM 30 NE2 HIS A 3 7.670 10.794 19.077 1.00 33.12 N ATOM 0 H HIS A 3 5.629 8.106 17.555 1.00 31.42 H new ATOM 0 HA HIS A 3 2.766 8.661 17.643 1.00 71.22 H new ATOM 0 HB2 HIS A 3 3.419 10.589 19.010 1.00 13.03 H new ATOM 0 HB3 HIS A 3 4.038 9.084 19.661 1.00 13.03 H new ATOM 0 HD2 HIS A 3 6.879 8.800 19.512 1.00 5.42 H new ATOM 0 HE1 HIS A 3 7.589 12.850 18.499 1.00 72.43 H new ATOM 0 HE2 HIS A 3 8.667 10.674 19.256 1.00 33.12 H new ATOM 39 N MET A 4 2.594 10.217 15.756 1.00 41.22 N ATOM 40 CA MET A 4 2.448 11.102 14.616 1.00 12.32 C ATOM 41 C MET A 4 2.062 12.497 15.079 1.00 52.32 C ATOM 42 O MET A 4 1.140 12.661 15.880 1.00 64.42 O ATOM 43 CB MET A 4 1.394 10.550 13.658 1.00 5.44 C ATOM 44 CG MET A 4 1.297 11.292 12.337 1.00 4.34 C ATOM 45 SD MET A 4 0.023 10.613 11.255 1.00 50.11 S ATOM 46 CE MET A 4 0.559 8.907 11.117 1.00 63.11 C ATOM 0 H MET A 4 1.731 9.758 16.048 1.00 41.22 H new ATOM 0 HA MET A 4 3.402 11.163 14.092 1.00 12.32 H new ATOM 0 HB2 MET A 4 1.617 9.502 13.457 1.00 5.44 H new ATOM 0 HB3 MET A 4 0.422 10.580 14.150 1.00 5.44 H new ATOM 0 HG2 MET A 4 1.083 12.343 12.529 1.00 4.34 H new ATOM 0 HG3 MET A 4 2.261 11.250 11.829 1.00 4.34 H new ATOM 0 HE1 MET A 4 0.290 8.519 10.134 1.00 63.11 H new ATOM 0 HE2 MET A 4 1.640 8.854 11.244 1.00 63.11 H new ATOM 0 HE3 MET A 4 0.073 8.309 11.888 1.00 63.11 H new ATOM 56 N GLY A 5 2.772 13.493 14.590 1.00 30.01 N ATOM 57 CA GLY A 5 2.492 14.855 14.974 1.00 65.11 C ATOM 58 C GLY A 5 1.884 15.649 13.845 1.00 34.33 C ATOM 59 O GLY A 5 2.323 15.541 12.691 1.00 11.10 O ATOM 0 H GLY A 5 3.542 13.383 13.930 1.00 30.01 H new ATOM 0 HA2 GLY A 5 1.812 14.859 15.826 1.00 65.11 H new ATOM 0 HA3 GLY A 5 3.414 15.336 15.300 1.00 65.11 H new ATOM 63 N LYS A 6 0.877 16.444 14.168 1.00 73.41 N ATOM 64 CA LYS A 6 0.192 17.270 13.180 1.00 61.24 C ATOM 65 C LYS A 6 1.114 18.368 12.659 1.00 34.15 C ATOM 66 O LYS A 6 2.177 18.625 13.230 1.00 74.34 O ATOM 67 CB LYS A 6 -1.071 17.885 13.790 1.00 74.05 C ATOM 68 CG LYS A 6 -0.804 18.691 15.046 1.00 62.13 C ATOM 69 CD LYS A 6 -2.083 19.211 15.668 1.00 61.51 C ATOM 70 CE LYS A 6 -1.803 19.905 16.991 1.00 43.24 C ATOM 71 NZ LYS A 6 -1.179 18.984 17.979 1.00 1.20 N ATOM 0 H LYS A 6 0.511 16.537 15.116 1.00 73.41 H new ATOM 0 HA LYS A 6 -0.093 16.635 12.341 1.00 61.24 H new ATOM 0 HB2 LYS A 6 -1.547 18.528 13.049 1.00 74.05 H new ATOM 0 HB3 LYS A 6 -1.778 17.089 14.022 1.00 74.05 H new ATOM 0 HG2 LYS A 6 -0.275 18.071 15.769 1.00 62.13 H new ATOM 0 HG3 LYS A 6 -0.150 19.530 14.807 1.00 62.13 H new ATOM 0 HD2 LYS A 6 -2.567 19.907 14.983 1.00 61.51 H new ATOM 0 HD3 LYS A 6 -2.777 18.385 15.826 1.00 61.51 H new ATOM 0 HE2 LYS A 6 -1.144 20.757 16.822 1.00 43.24 H new ATOM 0 HE3 LYS A 6 -2.734 20.298 17.399 1.00 43.24 H new ATOM 0 HZ1 LYS A 6 -1.295 19.372 18.937 1.00 1.20 H new ATOM 0 HZ2 LYS A 6 -1.639 18.053 17.924 1.00 1.20 H new ATOM 0 HZ3 LYS A 6 -0.166 18.882 17.767 1.00 1.20 H new ATOM 85 N GLY A 7 0.705 19.013 11.589 1.00 72.53 N ATOM 86 CA GLY A 7 1.510 20.057 11.002 1.00 22.54 C ATOM 87 C GLY A 7 2.192 19.591 9.740 1.00 43.54 C ATOM 88 O GLY A 7 2.997 20.318 9.149 1.00 13.21 O ATOM 0 H GLY A 7 -0.177 18.833 11.110 1.00 72.53 H new ATOM 0 HA2 GLY A 7 0.882 20.919 10.779 1.00 22.54 H new ATOM 0 HA3 GLY A 7 2.260 20.386 11.721 1.00 22.54 H new ATOM 92 N ASP A 8 1.871 18.376 9.322 1.00 24.25 N ATOM 93 CA ASP A 8 2.450 17.809 8.119 1.00 0.05 C ATOM 94 C ASP A 8 1.750 18.389 6.891 1.00 4.31 C ATOM 95 O ASP A 8 0.599 18.821 6.974 1.00 31.32 O ATOM 96 CB ASP A 8 2.364 16.266 8.133 1.00 24.53 C ATOM 97 CG ASP A 8 0.992 15.728 7.783 1.00 22.25 C ATOM 98 OD1 ASP A 8 0.111 15.701 8.672 1.00 3.43 O ATOM 99 OD2 ASP A 8 0.801 15.306 6.624 1.00 31.20 O ATOM 0 H ASP A 8 1.211 17.764 9.801 1.00 24.25 H new ATOM 0 HA ASP A 8 3.507 18.073 8.079 1.00 0.05 H new ATOM 0 HB2 ASP A 8 3.092 15.864 7.429 1.00 24.53 H new ATOM 0 HB3 ASP A 8 2.644 15.905 9.122 1.00 24.53 H new ATOM 104 N PRO A 9 2.438 18.426 5.741 1.00 43.10 N ATOM 105 CA PRO A 9 1.893 19.016 4.511 1.00 54.44 C ATOM 106 C PRO A 9 0.694 18.253 3.932 1.00 15.42 C ATOM 107 O PRO A 9 0.038 18.749 3.012 1.00 61.23 O ATOM 108 CB PRO A 9 3.077 18.967 3.537 1.00 43.45 C ATOM 109 CG PRO A 9 3.954 17.883 4.054 1.00 15.14 C ATOM 110 CD PRO A 9 3.809 17.913 5.545 1.00 5.31 C ATOM 0 HA PRO A 9 1.504 20.017 4.699 1.00 54.44 H new ATOM 0 HB2 PRO A 9 2.744 18.755 2.521 1.00 43.45 H new ATOM 0 HB3 PRO A 9 3.604 19.921 3.507 1.00 43.45 H new ATOM 0 HG2 PRO A 9 3.656 16.915 3.652 1.00 15.14 H new ATOM 0 HG3 PRO A 9 4.991 18.045 3.759 1.00 15.14 H new ATOM 0 HD2 PRO A 9 3.934 16.922 5.982 1.00 5.31 H new ATOM 0 HD3 PRO A 9 4.552 18.562 6.009 1.00 5.31 H new ATOM 118 N LYS A 10 0.408 17.057 4.479 1.00 13.54 N ATOM 119 CA LYS A 10 -0.694 16.205 3.994 1.00 71.35 C ATOM 120 C LYS A 10 -0.469 15.822 2.534 1.00 43.51 C ATOM 121 O LYS A 10 -1.409 15.500 1.804 1.00 65.32 O ATOM 122 CB LYS A 10 -2.048 16.917 4.164 1.00 44.21 C ATOM 123 CG LYS A 10 -2.452 17.150 5.617 1.00 43.32 C ATOM 124 CD LYS A 10 -2.873 15.854 6.304 1.00 5.03 C ATOM 125 CE LYS A 10 -4.180 15.319 5.727 1.00 44.12 C ATOM 126 NZ LYS A 10 -4.639 14.092 6.425 1.00 74.22 N ATOM 0 H LYS A 10 0.927 16.657 5.261 1.00 13.54 H new ATOM 0 HA LYS A 10 -0.711 15.294 4.592 1.00 71.35 H new ATOM 0 HB2 LYS A 10 -2.008 17.878 3.651 1.00 44.21 H new ATOM 0 HB3 LYS A 10 -2.821 16.326 3.674 1.00 44.21 H new ATOM 0 HG2 LYS A 10 -1.617 17.594 6.159 1.00 43.32 H new ATOM 0 HG3 LYS A 10 -3.274 17.865 5.655 1.00 43.32 H new ATOM 0 HD2 LYS A 10 -2.088 15.106 6.187 1.00 5.03 H new ATOM 0 HD3 LYS A 10 -2.990 16.028 7.374 1.00 5.03 H new ATOM 0 HE2 LYS A 10 -4.950 16.087 5.802 1.00 44.12 H new ATOM 0 HE3 LYS A 10 -4.046 15.104 4.667 1.00 44.12 H new ATOM 0 HZ1 LYS A 10 -5.530 13.764 6.000 1.00 74.22 H new ATOM 0 HZ2 LYS A 10 -3.917 13.349 6.333 1.00 74.22 H new ATOM 0 HZ3 LYS A 10 -4.792 14.302 7.432 1.00 74.22 H new ATOM 140 N LYS A 11 0.792 15.827 2.137 1.00 11.14 N ATOM 141 CA LYS A 11 1.185 15.541 0.771 1.00 45.40 C ATOM 142 C LYS A 11 1.024 14.055 0.468 1.00 73.33 C ATOM 143 O LYS A 11 1.522 13.211 1.220 1.00 41.54 O ATOM 144 CB LYS A 11 2.646 15.955 0.566 1.00 45.22 C ATOM 145 CG LYS A 11 3.111 15.943 -0.885 1.00 40.14 C ATOM 146 CD LYS A 11 4.631 16.049 -0.984 1.00 20.31 C ATOM 147 CE LYS A 11 5.170 17.265 -0.238 1.00 3.30 C ATOM 148 NZ LYS A 11 6.654 17.301 -0.231 1.00 63.50 N ATOM 0 H LYS A 11 1.575 16.031 2.758 1.00 11.14 H new ATOM 0 HA LYS A 11 0.544 16.105 0.093 1.00 45.40 H new ATOM 0 HB2 LYS A 11 2.786 16.957 0.970 1.00 45.22 H new ATOM 0 HB3 LYS A 11 3.284 15.286 1.144 1.00 45.22 H new ATOM 0 HG2 LYS A 11 2.777 15.025 -1.368 1.00 40.14 H new ATOM 0 HG3 LYS A 11 2.651 16.772 -1.423 1.00 40.14 H new ATOM 0 HD2 LYS A 11 5.084 15.145 -0.578 1.00 20.31 H new ATOM 0 HD3 LYS A 11 4.922 16.109 -2.033 1.00 20.31 H new ATOM 0 HE2 LYS A 11 4.788 18.174 -0.702 1.00 3.30 H new ATOM 0 HE3 LYS A 11 4.803 17.253 0.788 1.00 3.30 H new ATOM 0 HZ1 LYS A 11 6.978 18.143 0.286 1.00 63.50 H new ATOM 0 HZ2 LYS A 11 7.020 16.446 0.235 1.00 63.50 H new ATOM 0 HZ3 LYS A 11 7.005 17.339 -1.209 1.00 63.50 H new ATOM 162 N PRO A 12 0.306 13.710 -0.621 1.00 11.12 N ATOM 163 CA PRO A 12 0.131 12.319 -1.035 1.00 31.03 C ATOM 164 C PRO A 12 1.476 11.654 -1.289 1.00 21.15 C ATOM 165 O PRO A 12 2.244 12.088 -2.152 1.00 51.32 O ATOM 166 CB PRO A 12 -0.669 12.425 -2.340 1.00 55.22 C ATOM 167 CG PRO A 12 -1.337 13.753 -2.266 1.00 10.44 C ATOM 168 CD PRO A 12 -0.394 14.644 -1.515 1.00 11.31 C ATOM 0 HA PRO A 12 -0.367 11.716 -0.276 1.00 31.03 H new ATOM 0 HB2 PRO A 12 -0.017 12.358 -3.211 1.00 55.22 H new ATOM 0 HB3 PRO A 12 -1.398 11.619 -2.424 1.00 55.22 H new ATOM 0 HG2 PRO A 12 -1.536 14.146 -3.263 1.00 10.44 H new ATOM 0 HG3 PRO A 12 -2.297 13.680 -1.754 1.00 10.44 H new ATOM 0 HD2 PRO A 12 0.297 15.155 -2.185 1.00 11.31 H new ATOM 0 HD3 PRO A 12 -0.926 15.415 -0.957 1.00 11.31 H new ATOM 176 N ARG A 13 1.756 10.621 -0.532 1.00 62.31 N ATOM 177 CA ARG A 13 3.015 9.906 -0.631 1.00 1.41 C ATOM 178 C ARG A 13 2.779 8.420 -0.446 1.00 65.30 C ATOM 179 O ARG A 13 3.721 7.636 -0.345 1.00 54.32 O ATOM 180 CB ARG A 13 3.982 10.405 0.454 1.00 21.33 C ATOM 181 CG ARG A 13 3.492 10.127 1.872 1.00 65.11 C ATOM 182 CD ARG A 13 4.469 10.624 2.927 1.00 74.13 C ATOM 183 NE ARG A 13 4.030 10.255 4.280 1.00 54.31 N ATOM 184 CZ ARG A 13 4.446 10.842 5.408 1.00 51.42 C ATOM 185 NH1 ARG A 13 5.327 11.832 5.366 1.00 11.12 N ATOM 186 NH2 ARG A 13 3.977 10.430 6.580 1.00 32.44 N ATOM 0 H ARG A 13 1.120 10.248 0.173 1.00 62.31 H new ATOM 0 HA ARG A 13 3.448 10.085 -1.615 1.00 1.41 H new ATOM 0 HB2 ARG A 13 4.953 9.930 0.313 1.00 21.33 H new ATOM 0 HB3 ARG A 13 4.132 11.478 0.332 1.00 21.33 H new ATOM 0 HG2 ARG A 13 2.525 10.607 2.021 1.00 65.11 H new ATOM 0 HG3 ARG A 13 3.339 9.055 1.998 1.00 65.11 H new ATOM 0 HD2 ARG A 13 5.457 10.205 2.736 1.00 74.13 H new ATOM 0 HD3 ARG A 13 4.563 11.708 2.856 1.00 74.13 H new ATOM 0 HE ARG A 13 3.357 9.493 4.366 1.00 54.31 H new ATOM 0 HH11 ARG A 13 5.693 12.151 4.469 1.00 11.12 H new ATOM 0 HH12 ARG A 13 5.639 12.274 6.231 1.00 11.12 H new ATOM 0 HH21 ARG A 13 3.301 9.667 6.619 1.00 32.44 H new ATOM 0 HH22 ARG A 13 4.293 10.876 7.441 1.00 32.44 H new ATOM 200 N GLY A 14 1.519 8.036 -0.431 1.00 73.33 N ATOM 201 CA GLY A 14 1.191 6.670 -0.150 1.00 42.02 C ATOM 202 C GLY A 14 0.853 5.853 -1.370 1.00 11.54 C ATOM 203 O GLY A 14 -0.307 5.782 -1.777 1.00 55.21 O ATOM 0 H GLY A 14 0.722 8.647 -0.608 1.00 73.33 H new ATOM 0 HA2 GLY A 14 2.032 6.204 0.364 1.00 42.02 H new ATOM 0 HA3 GLY A 14 0.345 6.645 0.536 1.00 42.02 H new ATOM 207 N LYS A 15 1.863 5.261 -1.962 1.00 13.04 N ATOM 208 CA LYS A 15 1.679 4.315 -3.042 1.00 41.24 C ATOM 209 C LYS A 15 2.334 3.027 -2.575 1.00 62.21 C ATOM 210 O LYS A 15 3.444 3.065 -2.034 1.00 14.33 O ATOM 211 CB LYS A 15 2.291 4.850 -4.375 1.00 21.23 C ATOM 212 CG LYS A 15 3.799 4.660 -4.536 1.00 64.45 C ATOM 213 CD LYS A 15 4.116 3.306 -5.159 1.00 31.32 C ATOM 214 CE LYS A 15 5.590 2.967 -5.057 1.00 51.31 C ATOM 215 NZ LYS A 15 5.876 1.620 -5.611 1.00 32.30 N ATOM 0 H LYS A 15 2.838 5.421 -1.709 1.00 13.04 H new ATOM 0 HA LYS A 15 0.625 4.151 -3.264 1.00 41.24 H new ATOM 0 HB2 LYS A 15 1.790 4.355 -5.207 1.00 21.23 H new ATOM 0 HB3 LYS A 15 2.067 5.914 -4.455 1.00 21.23 H new ATOM 0 HG2 LYS A 15 4.205 5.456 -5.161 1.00 64.45 H new ATOM 0 HG3 LYS A 15 4.285 4.739 -3.564 1.00 64.45 H new ATOM 0 HD2 LYS A 15 3.531 2.532 -4.663 1.00 31.32 H new ATOM 0 HD3 LYS A 15 3.816 3.310 -6.207 1.00 31.32 H new ATOM 0 HE2 LYS A 15 6.175 3.714 -5.594 1.00 51.31 H new ATOM 0 HE3 LYS A 15 5.903 3.007 -4.014 1.00 51.31 H new ATOM 0 HZ1 LYS A 15 6.801 1.629 -6.087 1.00 32.30 H new ATOM 0 HZ2 LYS A 15 5.891 0.923 -4.839 1.00 32.30 H new ATOM 0 HZ3 LYS A 15 5.137 1.362 -6.296 1.00 32.30 H new ATOM 229 N MET A 16 1.671 1.880 -2.717 1.00 43.53 N ATOM 230 CA MET A 16 2.142 0.626 -2.163 1.00 13.42 C ATOM 231 C MET A 16 3.334 0.049 -2.924 1.00 21.21 C ATOM 232 O MET A 16 3.554 0.332 -4.106 1.00 1.31 O ATOM 233 CB MET A 16 0.983 -0.375 -2.178 1.00 62.33 C ATOM 234 CG MET A 16 -0.183 0.020 -1.281 1.00 14.11 C ATOM 235 SD MET A 16 -1.753 -0.748 -1.769 1.00 22.31 S ATOM 236 CE MET A 16 -1.346 -2.493 -1.692 1.00 4.23 C ATOM 0 H MET A 16 0.789 1.802 -3.223 1.00 43.53 H new ATOM 0 HA MET A 16 2.486 0.816 -1.146 1.00 13.42 H new ATOM 0 HB2 MET A 16 0.622 -0.483 -3.201 1.00 62.33 H new ATOM 0 HB3 MET A 16 1.354 -1.351 -1.866 1.00 62.33 H new ATOM 0 HG2 MET A 16 0.047 -0.260 -0.253 1.00 14.11 H new ATOM 0 HG3 MET A 16 -0.295 1.104 -1.299 1.00 14.11 H new ATOM 0 HE1 MET A 16 -2.111 -3.068 -2.213 1.00 4.23 H new ATOM 0 HE2 MET A 16 -0.379 -2.662 -2.166 1.00 4.23 H new ATOM 0 HE3 MET A 16 -1.300 -2.810 -0.650 1.00 4.23 H new ATOM 246 N SER A 17 4.108 -0.757 -2.217 1.00 51.43 N ATOM 247 CA SER A 17 5.275 -1.408 -2.771 1.00 55.33 C ATOM 248 C SER A 17 4.938 -2.828 -3.222 1.00 42.25 C ATOM 249 O SER A 17 3.774 -3.242 -3.170 1.00 43.45 O ATOM 250 CB SER A 17 6.377 -1.427 -1.718 1.00 11.12 C ATOM 251 OG SER A 17 6.545 -0.134 -1.144 1.00 24.50 O ATOM 0 H SER A 17 3.940 -0.977 -1.235 1.00 51.43 H new ATOM 0 HA SER A 17 5.617 -0.855 -3.646 1.00 55.33 H new ATOM 0 HB2 SER A 17 6.130 -2.148 -0.938 1.00 11.12 H new ATOM 0 HB3 SER A 17 7.313 -1.755 -2.170 1.00 11.12 H new ATOM 0 HG SER A 17 7.255 -0.165 -0.469 1.00 24.50 H new ATOM 257 N SER A 18 5.953 -3.584 -3.643 1.00 55.24 N ATOM 258 CA SER A 18 5.784 -4.940 -4.131 1.00 32.13 C ATOM 259 C SER A 18 5.204 -5.836 -3.046 1.00 4.31 C ATOM 260 O SER A 18 4.238 -6.561 -3.285 1.00 11.01 O ATOM 261 CB SER A 18 7.133 -5.473 -4.584 1.00 51.21 C ATOM 262 OG SER A 18 7.904 -4.443 -5.184 1.00 74.04 O ATOM 0 H SER A 18 6.921 -3.263 -3.652 1.00 55.24 H new ATOM 0 HA SER A 18 5.088 -4.934 -4.970 1.00 32.13 H new ATOM 0 HB2 SER A 18 7.671 -5.887 -3.731 1.00 51.21 H new ATOM 0 HB3 SER A 18 6.988 -6.287 -5.295 1.00 51.21 H new ATOM 0 HG SER A 18 8.799 -4.429 -4.784 1.00 74.04 H new ATOM 268 N TYR A 19 5.818 -5.793 -1.860 1.00 72.30 N ATOM 269 CA TYR A 19 5.348 -6.531 -0.694 1.00 64.21 C ATOM 270 C TYR A 19 3.847 -6.360 -0.512 1.00 63.24 C ATOM 271 O TYR A 19 3.111 -7.335 -0.414 1.00 14.12 O ATOM 272 CB TYR A 19 6.097 -6.027 0.555 1.00 74.31 C ATOM 273 CG TYR A 19 5.540 -6.518 1.876 1.00 44.31 C ATOM 274 CD1 TYR A 19 5.945 -7.727 2.414 1.00 31.42 C ATOM 275 CD2 TYR A 19 4.611 -5.763 2.585 1.00 13.14 C ATOM 276 CE1 TYR A 19 5.442 -8.172 3.617 1.00 42.22 C ATOM 277 CE2 TYR A 19 4.103 -6.202 3.788 1.00 13.11 C ATOM 278 CZ TYR A 19 4.522 -7.407 4.300 1.00 71.33 C ATOM 279 OH TYR A 19 4.016 -7.854 5.498 1.00 42.01 O ATOM 0 H TYR A 19 6.658 -5.242 -1.686 1.00 72.30 H new ATOM 0 HA TYR A 19 5.548 -7.593 -0.840 1.00 64.21 H new ATOM 0 HB2 TYR A 19 7.141 -6.332 0.482 1.00 74.31 H new ATOM 0 HB3 TYR A 19 6.082 -4.937 0.554 1.00 74.31 H new ATOM 0 HD1 TYR A 19 6.666 -8.331 1.883 1.00 31.42 H new ATOM 0 HD2 TYR A 19 4.282 -4.815 2.185 1.00 13.14 H new ATOM 0 HE1 TYR A 19 5.768 -9.118 4.024 1.00 42.22 H new ATOM 0 HE2 TYR A 19 3.381 -5.604 4.325 1.00 13.11 H new ATOM 0 HH TYR A 19 3.153 -7.422 5.670 1.00 42.01 H new ATOM 289 N ALA A 20 3.414 -5.114 -0.478 1.00 40.25 N ATOM 290 CA ALA A 20 2.011 -4.783 -0.309 1.00 14.21 C ATOM 291 C ALA A 20 1.147 -5.415 -1.402 1.00 10.11 C ATOM 292 O ALA A 20 0.078 -5.949 -1.122 1.00 2.41 O ATOM 293 CB ALA A 20 1.840 -3.286 -0.290 1.00 34.30 C ATOM 0 H ALA A 20 4.025 -4.302 -0.567 1.00 40.25 H new ATOM 0 HA ALA A 20 1.675 -5.193 0.643 1.00 14.21 H new ATOM 0 HB1 ALA A 20 0.785 -3.042 -0.163 1.00 34.30 H new ATOM 0 HB2 ALA A 20 2.412 -2.865 0.537 1.00 34.30 H new ATOM 0 HB3 ALA A 20 2.199 -2.867 -1.230 1.00 34.30 H new ATOM 299 N PHE A 21 1.617 -5.352 -2.646 1.00 13.45 N ATOM 300 CA PHE A 21 0.896 -5.957 -3.768 1.00 24.24 C ATOM 301 C PHE A 21 0.794 -7.473 -3.615 1.00 24.51 C ATOM 302 O PHE A 21 -0.180 -8.092 -4.058 1.00 71.24 O ATOM 303 CB PHE A 21 1.547 -5.588 -5.101 1.00 1.52 C ATOM 304 CG PHE A 21 0.971 -4.348 -5.718 1.00 42.23 C ATOM 305 CD1 PHE A 21 1.211 -3.101 -5.166 1.00 61.41 C ATOM 306 CD2 PHE A 21 0.172 -4.434 -6.843 1.00 61.54 C ATOM 307 CE1 PHE A 21 0.666 -1.964 -5.729 1.00 25.45 C ATOM 308 CE2 PHE A 21 -0.378 -3.303 -7.410 1.00 12.41 C ATOM 309 CZ PHE A 21 -0.131 -2.067 -6.854 1.00 54.45 C ATOM 0 H PHE A 21 2.490 -4.891 -2.904 1.00 13.45 H new ATOM 0 HA PHE A 21 -0.117 -5.555 -3.761 1.00 24.24 H new ATOM 0 HB2 PHE A 21 2.617 -5.446 -4.948 1.00 1.52 H new ATOM 0 HB3 PHE A 21 1.431 -6.419 -5.797 1.00 1.52 H new ATOM 0 HD1 PHE A 21 1.831 -3.017 -4.286 1.00 61.41 H new ATOM 0 HD2 PHE A 21 -0.024 -5.400 -7.284 1.00 61.54 H new ATOM 0 HE1 PHE A 21 0.862 -0.996 -5.291 1.00 25.45 H new ATOM 0 HE2 PHE A 21 -1.001 -3.386 -8.288 1.00 12.41 H new ATOM 0 HZ PHE A 21 -0.559 -1.180 -7.296 1.00 54.45 H new ATOM 319 N PHE A 22 1.791 -8.068 -2.991 1.00 74.03 N ATOM 320 CA PHE A 22 1.764 -9.490 -2.732 1.00 4.32 C ATOM 321 C PHE A 22 0.768 -9.797 -1.634 1.00 22.34 C ATOM 322 O PHE A 22 -0.100 -10.654 -1.795 1.00 20.11 O ATOM 323 CB PHE A 22 3.151 -10.010 -2.346 1.00 41.41 C ATOM 324 CG PHE A 22 3.142 -11.440 -1.870 1.00 64.41 C ATOM 325 CD1 PHE A 22 2.849 -12.473 -2.743 1.00 43.14 C ATOM 326 CD2 PHE A 22 3.416 -11.746 -0.550 1.00 21.13 C ATOM 327 CE1 PHE A 22 2.831 -13.783 -2.310 1.00 43.53 C ATOM 328 CE2 PHE A 22 3.401 -13.054 -0.112 1.00 50.51 C ATOM 329 CZ PHE A 22 3.109 -14.073 -0.993 1.00 3.03 C ATOM 0 H PHE A 22 2.627 -7.589 -2.656 1.00 74.03 H new ATOM 0 HA PHE A 22 1.458 -9.996 -3.648 1.00 4.32 H new ATOM 0 HB2 PHE A 22 3.815 -9.925 -3.206 1.00 41.41 H new ATOM 0 HB3 PHE A 22 3.563 -9.376 -1.561 1.00 41.41 H new ATOM 0 HD1 PHE A 22 2.631 -12.251 -3.777 1.00 43.14 H new ATOM 0 HD2 PHE A 22 3.644 -10.952 0.146 1.00 21.13 H new ATOM 0 HE1 PHE A 22 2.599 -14.579 -3.002 1.00 43.53 H new ATOM 0 HE2 PHE A 22 3.618 -13.280 0.922 1.00 50.51 H new ATOM 0 HZ PHE A 22 3.098 -15.097 -0.651 1.00 3.03 H new ATOM 339 N VAL A 23 0.876 -9.054 -0.532 1.00 74.41 N ATOM 340 CA VAL A 23 0.020 -9.248 0.636 1.00 21.22 C ATOM 341 C VAL A 23 -1.450 -8.990 0.303 1.00 42.32 C ATOM 342 O VAL A 23 -2.339 -9.554 0.922 1.00 11.53 O ATOM 343 CB VAL A 23 0.458 -8.339 1.819 1.00 43.43 C ATOM 344 CG1 VAL A 23 -0.418 -8.568 3.046 1.00 44.41 C ATOM 345 CG2 VAL A 23 1.915 -8.586 2.163 1.00 24.42 C ATOM 0 H VAL A 23 1.558 -8.303 -0.425 1.00 74.41 H new ATOM 0 HA VAL A 23 0.130 -10.290 0.937 1.00 21.22 H new ATOM 0 HB VAL A 23 0.338 -7.302 1.506 1.00 43.43 H new ATOM 0 HG11 VAL A 23 -0.087 -7.918 3.856 1.00 44.41 H new ATOM 0 HG12 VAL A 23 -1.455 -8.341 2.800 1.00 44.41 H new ATOM 0 HG13 VAL A 23 -0.339 -9.609 3.360 1.00 44.41 H new ATOM 0 HG21 VAL A 23 2.207 -7.942 2.993 1.00 24.42 H new ATOM 0 HG22 VAL A 23 2.050 -9.629 2.448 1.00 24.42 H new ATOM 0 HG23 VAL A 23 2.536 -8.364 1.295 1.00 24.42 H new ATOM 355 N GLN A 24 -1.699 -8.179 -0.705 1.00 65.51 N ATOM 356 CA GLN A 24 -3.077 -7.879 -1.046 1.00 20.11 C ATOM 357 C GLN A 24 -3.663 -9.030 -1.861 1.00 22.44 C ATOM 358 O GLN A 24 -4.872 -9.267 -1.849 1.00 53.30 O ATOM 359 CB GLN A 24 -3.210 -6.553 -1.801 1.00 24.33 C ATOM 360 CG GLN A 24 -2.756 -6.595 -3.247 1.00 31.20 C ATOM 361 CD GLN A 24 -2.965 -5.276 -3.964 1.00 33.52 C ATOM 362 OE1 GLN A 24 -2.235 -4.940 -4.890 1.00 61.52 O ATOM 363 NE2 GLN A 24 -3.961 -4.519 -3.541 1.00 64.24 N ATOM 0 H GLN A 24 -0.993 -7.728 -1.286 1.00 65.51 H new ATOM 0 HA GLN A 24 -3.639 -7.768 -0.118 1.00 20.11 H new ATOM 0 HB2 GLN A 24 -4.253 -6.238 -1.772 1.00 24.33 H new ATOM 0 HB3 GLN A 24 -2.632 -5.793 -1.276 1.00 24.33 H new ATOM 0 HG2 GLN A 24 -1.700 -6.861 -3.284 1.00 31.20 H new ATOM 0 HG3 GLN A 24 -3.301 -7.380 -3.772 1.00 31.20 H new ATOM 0 HE21 GLN A 24 -4.547 -4.833 -2.767 1.00 64.24 H new ATOM 0 HE22 GLN A 24 -4.144 -3.621 -3.988 1.00 64.24 H new ATOM 372 N THR A 25 -2.781 -9.761 -2.541 1.00 2.01 N ATOM 373 CA THR A 25 -3.177 -10.899 -3.339 1.00 44.22 C ATOM 374 C THR A 25 -3.447 -12.116 -2.445 1.00 71.20 C ATOM 375 O THR A 25 -4.584 -12.546 -2.319 1.00 12.13 O ATOM 376 CB THR A 25 -2.101 -11.239 -4.400 1.00 14.31 C ATOM 377 OG1 THR A 25 -1.843 -10.081 -5.222 1.00 74.14 O ATOM 378 CG2 THR A 25 -2.559 -12.390 -5.288 1.00 73.41 C ATOM 0 H THR A 25 -1.778 -9.575 -2.548 1.00 2.01 H new ATOM 0 HA THR A 25 -4.097 -10.637 -3.861 1.00 44.22 H new ATOM 0 HB THR A 25 -1.191 -11.536 -3.879 1.00 14.31 H new ATOM 0 HG1 THR A 25 -1.266 -9.456 -4.735 1.00 74.14 H new ATOM 0 HG21 THR A 25 -1.787 -12.610 -6.025 1.00 73.41 H new ATOM 0 HG22 THR A 25 -2.738 -13.273 -4.675 1.00 73.41 H new ATOM 0 HG23 THR A 25 -3.480 -12.111 -5.800 1.00 73.41 H new ATOM 386 N CYS A 26 -2.382 -12.701 -1.881 1.00 23.51 N ATOM 387 CA CYS A 26 -2.504 -13.831 -0.925 1.00 3.32 C ATOM 388 C CYS A 26 -3.733 -13.698 0.010 1.00 21.11 C ATOM 389 O CYS A 26 -4.382 -14.701 0.338 1.00 31.14 O ATOM 390 CB CYS A 26 -1.212 -13.988 -0.099 1.00 1.10 C ATOM 391 SG CYS A 26 -0.527 -12.421 0.540 1.00 22.13 S ATOM 0 H CYS A 26 -1.420 -12.416 -2.065 1.00 23.51 H new ATOM 0 HA CYS A 26 -2.658 -14.730 -1.523 1.00 3.32 H new ATOM 0 HB2 CYS A 26 -1.412 -14.652 0.742 1.00 1.10 H new ATOM 0 HB3 CYS A 26 -0.457 -14.474 -0.717 1.00 1.10 H new ATOM 396 N ARG A 27 -4.052 -12.466 0.422 1.00 73.21 N ATOM 397 CA ARG A 27 -5.226 -12.216 1.254 1.00 53.12 C ATOM 398 C ARG A 27 -6.528 -12.470 0.500 1.00 71.54 C ATOM 399 O ARG A 27 -7.346 -13.277 0.937 1.00 5.30 O ATOM 400 CB ARG A 27 -5.235 -10.792 1.777 1.00 41.11 C ATOM 401 CG ARG A 27 -4.258 -10.531 2.894 1.00 53.23 C ATOM 402 CD ARG A 27 -4.436 -9.136 3.439 1.00 14.01 C ATOM 403 NE ARG A 27 -5.794 -8.939 3.953 1.00 43.14 N ATOM 404 CZ ARG A 27 -6.689 -8.094 3.438 1.00 54.04 C ATOM 405 NH1 ARG A 27 -6.373 -7.334 2.400 1.00 21.24 N ATOM 406 NH2 ARG A 27 -7.902 -8.014 3.966 1.00 32.01 N ATOM 0 H ARG A 27 -3.513 -11.631 0.192 1.00 73.21 H new ATOM 0 HA ARG A 27 -5.162 -12.914 2.089 1.00 53.12 H new ATOM 0 HB2 ARG A 27 -5.014 -10.114 0.952 1.00 41.11 H new ATOM 0 HB3 ARG A 27 -6.239 -10.553 2.126 1.00 41.11 H new ATOM 0 HG2 ARG A 27 -4.405 -11.260 3.691 1.00 53.23 H new ATOM 0 HG3 ARG A 27 -3.238 -10.658 2.530 1.00 53.23 H new ATOM 0 HD2 ARG A 27 -3.713 -8.959 4.235 1.00 14.01 H new ATOM 0 HD3 ARG A 27 -4.232 -8.407 2.655 1.00 14.01 H new ATOM 0 HE ARG A 27 -6.076 -9.489 4.765 1.00 43.14 H new ATOM 0 HH11 ARG A 27 -5.441 -7.393 1.990 1.00 21.24 H new ATOM 0 HH12 ARG A 27 -7.062 -6.690 2.011 1.00 21.24 H new ATOM 0 HH21 ARG A 27 -8.150 -8.598 4.765 1.00 32.01 H new ATOM 0 HH22 ARG A 27 -8.587 -7.369 3.574 1.00 32.01 H new ATOM 420 N GLU A 28 -6.716 -11.780 -0.634 1.00 0.02 N ATOM 421 CA GLU A 28 -7.955 -11.892 -1.417 1.00 23.30 C ATOM 422 C GLU A 28 -8.241 -13.340 -1.805 1.00 15.15 C ATOM 423 O GLU A 28 -9.390 -13.784 -1.761 1.00 4.52 O ATOM 424 CB GLU A 28 -7.913 -11.000 -2.674 1.00 13.23 C ATOM 425 CG GLU A 28 -6.857 -11.401 -3.688 1.00 21.04 C ATOM 426 CD GLU A 28 -6.897 -10.581 -4.949 1.00 71.21 C ATOM 427 OE1 GLU A 28 -6.254 -9.519 -4.995 1.00 4.30 O ATOM 428 OE2 GLU A 28 -7.565 -11.007 -5.916 1.00 12.34 O ATOM 0 H GLU A 28 -6.027 -11.140 -1.029 1.00 0.02 H new ATOM 0 HA GLU A 28 -8.767 -11.542 -0.779 1.00 23.30 H new ATOM 0 HB2 GLU A 28 -8.891 -11.024 -3.156 1.00 13.23 H new ATOM 0 HB3 GLU A 28 -7.734 -9.969 -2.368 1.00 13.23 H new ATOM 0 HG2 GLU A 28 -5.871 -11.305 -3.232 1.00 21.04 H new ATOM 0 HG3 GLU A 28 -6.989 -12.452 -3.943 1.00 21.04 H new ATOM 435 N GLU A 29 -7.191 -14.082 -2.166 1.00 74.00 N ATOM 436 CA GLU A 29 -7.314 -15.480 -2.548 1.00 53.20 C ATOM 437 C GLU A 29 -7.928 -16.291 -1.416 1.00 31.10 C ATOM 438 O GLU A 29 -8.794 -17.137 -1.639 1.00 73.20 O ATOM 439 CB GLU A 29 -5.938 -16.049 -2.895 1.00 20.40 C ATOM 440 CG GLU A 29 -5.294 -15.416 -4.117 1.00 3.35 C ATOM 441 CD GLU A 29 -5.985 -15.808 -5.400 1.00 21.21 C ATOM 442 OE1 GLU A 29 -6.934 -15.112 -5.812 1.00 74.14 O ATOM 443 OE2 GLU A 29 -5.584 -16.821 -6.005 1.00 54.32 O ATOM 0 H GLU A 29 -6.236 -13.726 -2.200 1.00 74.00 H new ATOM 0 HA GLU A 29 -7.964 -15.543 -3.420 1.00 53.20 H new ATOM 0 HB2 GLU A 29 -5.276 -15.917 -2.039 1.00 20.40 H new ATOM 0 HB3 GLU A 29 -6.032 -17.122 -3.062 1.00 20.40 H new ATOM 0 HG2 GLU A 29 -5.314 -14.331 -4.014 1.00 3.35 H new ATOM 0 HG3 GLU A 29 -4.246 -15.712 -4.167 1.00 3.35 H new ATOM 450 N HIS A 30 -7.487 -16.008 -0.198 1.00 30.23 N ATOM 451 CA HIS A 30 -7.968 -16.716 0.977 1.00 5.41 C ATOM 452 C HIS A 30 -9.340 -16.193 1.389 1.00 2.53 C ATOM 453 O HIS A 30 -10.178 -16.945 1.882 1.00 31.24 O ATOM 454 CB HIS A 30 -6.966 -16.568 2.139 1.00 32.45 C ATOM 455 CG HIS A 30 -7.257 -17.453 3.322 1.00 15.22 C ATOM 456 ND1 HIS A 30 -6.587 -18.636 3.561 1.00 22.42 N ATOM 457 CD2 HIS A 30 -8.143 -17.316 4.339 1.00 45.25 C ATOM 458 CE1 HIS A 30 -7.052 -19.185 4.668 1.00 62.23 C ATOM 459 NE2 HIS A 30 -7.996 -18.403 5.157 1.00 50.23 N ATOM 0 H HIS A 30 -6.792 -15.288 0.001 1.00 30.23 H new ATOM 0 HA HIS A 30 -8.061 -17.774 0.731 1.00 5.41 H new ATOM 0 HB2 HIS A 30 -5.964 -16.790 1.771 1.00 32.45 H new ATOM 0 HB3 HIS A 30 -6.961 -15.529 2.469 1.00 32.45 H new ATOM 0 HD2 HIS A 30 -8.837 -16.500 4.478 1.00 45.25 H new ATOM 0 HE1 HIS A 30 -6.717 -20.116 5.100 1.00 62.23 H new ATOM 0 HE2 HIS A 30 -8.530 -18.580 6.008 1.00 50.23 H new ATOM 468 N LYS A 31 -9.566 -14.904 1.171 1.00 52.14 N ATOM 469 CA LYS A 31 -10.826 -14.265 1.523 1.00 71.32 C ATOM 470 C LYS A 31 -11.952 -14.786 0.634 1.00 65.21 C ATOM 471 O LYS A 31 -13.100 -14.894 1.061 1.00 52.05 O ATOM 472 CB LYS A 31 -10.687 -12.742 1.382 1.00 51.34 C ATOM 473 CG LYS A 31 -11.879 -11.951 1.885 1.00 12.31 C ATOM 474 CD LYS A 31 -11.616 -10.454 1.808 1.00 23.02 C ATOM 475 CE LYS A 31 -12.796 -9.648 2.329 1.00 33.31 C ATOM 476 NZ LYS A 31 -14.019 -9.872 1.524 1.00 12.13 N ATOM 0 H LYS A 31 -8.884 -14.275 0.747 1.00 52.14 H new ATOM 0 HA LYS A 31 -11.072 -14.504 2.558 1.00 71.32 H new ATOM 0 HB2 LYS A 31 -9.798 -12.420 1.924 1.00 51.34 H new ATOM 0 HB3 LYS A 31 -10.524 -12.501 0.332 1.00 51.34 H new ATOM 0 HG2 LYS A 31 -12.760 -12.199 1.293 1.00 12.31 H new ATOM 0 HG3 LYS A 31 -12.097 -12.232 2.915 1.00 12.31 H new ATOM 0 HD2 LYS A 31 -10.725 -10.211 2.387 1.00 23.02 H new ATOM 0 HD3 LYS A 31 -11.411 -10.173 0.775 1.00 23.02 H new ATOM 0 HE2 LYS A 31 -12.990 -9.919 3.367 1.00 33.31 H new ATOM 0 HE3 LYS A 31 -12.544 -8.588 2.318 1.00 33.31 H new ATOM 0 HZ1 LYS A 31 -14.742 -9.174 1.790 1.00 12.13 H new ATOM 0 HZ2 LYS A 31 -13.793 -9.769 0.514 1.00 12.13 H new ATOM 0 HZ3 LYS A 31 -14.381 -10.830 1.702 1.00 12.13 H new ATOM 490 N LYS A 32 -11.620 -15.077 -0.603 1.00 1.52 N ATOM 491 CA LYS A 32 -12.600 -15.648 -1.508 1.00 14.32 C ATOM 492 C LYS A 32 -12.922 -17.092 -1.130 1.00 32.43 C ATOM 493 O LYS A 32 -14.057 -17.544 -1.295 1.00 1.13 O ATOM 494 CB LYS A 32 -12.150 -15.563 -2.966 1.00 12.31 C ATOM 495 CG LYS A 32 -12.163 -14.151 -3.532 1.00 23.10 C ATOM 496 CD LYS A 32 -12.017 -14.152 -5.048 1.00 14.01 C ATOM 497 CE LYS A 32 -13.212 -14.820 -5.727 1.00 44.02 C ATOM 498 NZ LYS A 32 -13.126 -14.754 -7.208 1.00 22.24 N ATOM 0 H LYS A 32 -10.694 -14.932 -1.005 1.00 1.52 H new ATOM 0 HA LYS A 32 -13.508 -15.054 -1.409 1.00 14.32 H new ATOM 0 HB2 LYS A 32 -11.142 -15.968 -3.049 1.00 12.31 H new ATOM 0 HB3 LYS A 32 -12.798 -16.194 -3.574 1.00 12.31 H new ATOM 0 HG2 LYS A 32 -13.094 -13.657 -3.256 1.00 23.10 H new ATOM 0 HG3 LYS A 32 -11.352 -13.573 -3.088 1.00 23.10 H new ATOM 0 HD2 LYS A 32 -11.921 -13.127 -5.406 1.00 14.01 H new ATOM 0 HD3 LYS A 32 -11.101 -14.674 -5.326 1.00 14.01 H new ATOM 0 HE2 LYS A 32 -13.269 -15.863 -5.414 1.00 44.02 H new ATOM 0 HE3 LYS A 32 -14.132 -14.337 -5.396 1.00 44.02 H new ATOM 0 HZ1 LYS A 32 -13.957 -15.219 -7.625 1.00 22.24 H new ATOM 0 HZ2 LYS A 32 -13.098 -13.759 -7.510 1.00 22.24 H new ATOM 0 HZ3 LYS A 32 -12.262 -15.237 -7.527 1.00 22.24 H new ATOM 512 N LYS A 33 -11.925 -17.817 -0.619 1.00 5.33 N ATOM 513 CA LYS A 33 -12.123 -19.204 -0.191 1.00 0.12 C ATOM 514 C LYS A 33 -12.997 -19.267 1.058 1.00 3.41 C ATOM 515 O LYS A 33 -13.726 -20.230 1.267 1.00 44.10 O ATOM 516 CB LYS A 33 -10.780 -19.892 0.096 1.00 41.41 C ATOM 517 CG LYS A 33 -9.828 -19.938 -1.086 1.00 61.22 C ATOM 518 CD LYS A 33 -10.426 -20.680 -2.270 1.00 62.33 C ATOM 519 CE LYS A 33 -9.471 -20.685 -3.454 1.00 65.51 C ATOM 520 NZ LYS A 33 -9.089 -19.308 -3.864 1.00 3.22 N ATOM 0 H LYS A 33 -10.975 -17.468 -0.492 1.00 5.33 H new ATOM 0 HA LYS A 33 -12.622 -19.727 -1.007 1.00 0.12 H new ATOM 0 HB2 LYS A 33 -10.290 -19.374 0.920 1.00 41.41 H new ATOM 0 HB3 LYS A 33 -10.973 -20.911 0.430 1.00 41.41 H new ATOM 0 HG2 LYS A 33 -9.573 -18.922 -1.386 1.00 61.22 H new ATOM 0 HG3 LYS A 33 -8.900 -20.424 -0.785 1.00 61.22 H new ATOM 0 HD2 LYS A 33 -10.657 -21.705 -1.981 1.00 62.33 H new ATOM 0 HD3 LYS A 33 -11.366 -20.211 -2.560 1.00 62.33 H new ATOM 0 HE2 LYS A 33 -8.575 -21.248 -3.195 1.00 65.51 H new ATOM 0 HE3 LYS A 33 -9.938 -21.198 -4.295 1.00 65.51 H new ATOM 0 HZ1 LYS A 33 -8.594 -19.343 -4.778 1.00 3.22 H new ATOM 0 HZ2 LYS A 33 -9.944 -18.723 -3.956 1.00 3.22 H new ATOM 0 HZ3 LYS A 33 -8.462 -18.893 -3.146 1.00 3.22 H new ATOM 534 N HIS A 34 -12.922 -18.232 1.879 1.00 25.32 N ATOM 535 CA HIS A 34 -13.699 -18.169 3.112 1.00 33.41 C ATOM 536 C HIS A 34 -14.239 -16.765 3.321 1.00 21.42 C ATOM 537 O HIS A 34 -13.612 -15.938 3.978 1.00 34.43 O ATOM 538 CB HIS A 34 -12.867 -18.610 4.324 1.00 10.13 C ATOM 539 CG HIS A 34 -12.569 -20.076 4.344 1.00 74.44 C ATOM 540 ND1 HIS A 34 -13.409 -21.006 4.911 1.00 23.54 N ATOM 541 CD2 HIS A 34 -11.528 -20.772 3.842 1.00 24.52 C ATOM 542 CE1 HIS A 34 -12.896 -22.210 4.756 1.00 25.25 C ATOM 543 NE2 HIS A 34 -11.755 -22.096 4.109 1.00 11.34 N ATOM 0 H HIS A 34 -12.329 -17.419 1.715 1.00 25.32 H new ATOM 0 HA HIS A 34 -14.536 -18.860 3.016 1.00 33.41 H new ATOM 0 HB2 HIS A 34 -11.928 -18.057 4.330 1.00 10.13 H new ATOM 0 HB3 HIS A 34 -13.400 -18.344 5.237 1.00 10.13 H new ATOM 0 HD2 HIS A 34 -10.673 -20.361 3.325 1.00 24.52 H new ATOM 0 HE1 HIS A 34 -13.337 -23.134 5.101 1.00 25.25 H new ATOM 0 HE2 HIS A 34 -11.141 -22.868 3.849 1.00 11.34 H new ATOM 552 N PRO A 35 -15.413 -16.478 2.741 1.00 74.02 N ATOM 553 CA PRO A 35 -16.032 -15.149 2.799 1.00 64.01 C ATOM 554 C PRO A 35 -16.513 -14.765 4.198 1.00 12.34 C ATOM 555 O PRO A 35 -16.780 -13.593 4.466 1.00 32.23 O ATOM 556 CB PRO A 35 -17.233 -15.261 1.840 1.00 61.20 C ATOM 557 CG PRO A 35 -17.000 -16.514 1.062 1.00 4.40 C ATOM 558 CD PRO A 35 -16.228 -17.419 1.967 1.00 72.24 C ATOM 0 HA PRO A 35 -15.315 -14.374 2.529 1.00 64.01 H new ATOM 0 HB2 PRO A 35 -18.173 -15.309 2.390 1.00 61.20 H new ATOM 0 HB3 PRO A 35 -17.293 -14.394 1.182 1.00 61.20 H new ATOM 0 HG2 PRO A 35 -17.944 -16.971 0.765 1.00 4.40 H new ATOM 0 HG3 PRO A 35 -16.444 -16.308 0.147 1.00 4.40 H new ATOM 0 HD2 PRO A 35 -16.885 -18.008 2.607 1.00 72.24 H new ATOM 0 HD3 PRO A 35 -15.612 -18.123 1.407 1.00 72.24 H new ATOM 566 N ASP A 36 -16.636 -15.741 5.082 1.00 52.11 N ATOM 567 CA ASP A 36 -17.105 -15.474 6.438 1.00 30.30 C ATOM 568 C ASP A 36 -15.935 -15.425 7.425 1.00 40.41 C ATOM 569 O ASP A 36 -16.108 -15.103 8.602 1.00 1.34 O ATOM 570 CB ASP A 36 -18.134 -16.535 6.859 1.00 21.21 C ATOM 571 CG ASP A 36 -18.708 -16.299 8.244 1.00 22.15 C ATOM 572 OD1 ASP A 36 -19.469 -15.322 8.419 1.00 20.42 O ATOM 573 OD2 ASP A 36 -18.401 -17.091 9.164 1.00 44.23 O ATOM 0 H ASP A 36 -16.420 -16.719 4.891 1.00 52.11 H new ATOM 0 HA ASP A 36 -17.588 -14.497 6.450 1.00 30.30 H new ATOM 0 HB2 ASP A 36 -18.948 -16.550 6.134 1.00 21.21 H new ATOM 0 HB3 ASP A 36 -17.664 -17.518 6.831 1.00 21.21 H new ATOM 578 N ALA A 37 -14.746 -15.727 6.938 1.00 12.13 N ATOM 579 CA ALA A 37 -13.555 -15.709 7.771 1.00 44.52 C ATOM 580 C ALA A 37 -12.743 -14.444 7.518 1.00 51.31 C ATOM 581 O ALA A 37 -12.100 -14.313 6.481 1.00 5.31 O ATOM 582 CB ALA A 37 -12.710 -16.949 7.518 1.00 22.41 C ATOM 0 H ALA A 37 -14.578 -15.989 5.967 1.00 12.13 H new ATOM 0 HA ALA A 37 -13.865 -15.712 8.816 1.00 44.52 H new ATOM 0 HB1 ALA A 37 -11.822 -16.919 8.150 1.00 22.41 H new ATOM 0 HB2 ALA A 37 -13.292 -17.840 7.752 1.00 22.41 H new ATOM 0 HB3 ALA A 37 -12.409 -16.977 6.471 1.00 22.41 H new ATOM 588 N SER A 38 -12.835 -13.496 8.446 1.00 35.42 N ATOM 589 CA SER A 38 -12.104 -12.233 8.355 1.00 64.04 C ATOM 590 C SER A 38 -10.611 -12.458 8.082 1.00 70.15 C ATOM 591 O SER A 38 -9.920 -13.147 8.840 1.00 10.35 O ATOM 592 CB SER A 38 -12.287 -11.415 9.638 1.00 50.44 C ATOM 593 OG SER A 38 -11.707 -10.123 9.511 1.00 13.24 O ATOM 0 H SER A 38 -13.416 -13.580 9.280 1.00 35.42 H new ATOM 0 HA SER A 38 -12.517 -11.677 7.513 1.00 64.04 H new ATOM 0 HB2 SER A 38 -13.349 -11.319 9.863 1.00 50.44 H new ATOM 0 HB3 SER A 38 -11.830 -11.941 10.476 1.00 50.44 H new ATOM 0 HG SER A 38 -11.839 -9.622 10.343 1.00 13.24 H new ATOM 599 N VAL A 39 -10.128 -11.872 6.996 1.00 54.34 N ATOM 600 CA VAL A 39 -8.727 -11.993 6.601 1.00 54.24 C ATOM 601 C VAL A 39 -8.052 -10.612 6.702 1.00 52.23 C ATOM 602 O VAL A 39 -7.246 -10.236 5.852 1.00 52.43 O ATOM 603 CB VAL A 39 -8.595 -12.541 5.140 1.00 55.24 C ATOM 604 CG1 VAL A 39 -7.159 -12.946 4.825 1.00 23.14 C ATOM 605 CG2 VAL A 39 -9.528 -13.719 4.917 1.00 24.02 C ATOM 0 H VAL A 39 -10.691 -11.301 6.365 1.00 54.34 H new ATOM 0 HA VAL A 39 -8.237 -12.699 7.271 1.00 54.24 H new ATOM 0 HB VAL A 39 -8.879 -11.735 4.464 1.00 55.24 H new ATOM 0 HG11 VAL A 39 -7.103 -13.322 3.803 1.00 23.14 H new ATOM 0 HG12 VAL A 39 -6.505 -12.080 4.930 1.00 23.14 H new ATOM 0 HG13 VAL A 39 -6.841 -13.726 5.517 1.00 23.14 H new ATOM 0 HG21 VAL A 39 -9.418 -14.082 3.895 1.00 24.02 H new ATOM 0 HG22 VAL A 39 -9.278 -14.518 5.615 1.00 24.02 H new ATOM 0 HG23 VAL A 39 -10.558 -13.403 5.081 1.00 24.02 H new ATOM 615 N ASN A 40 -8.452 -9.851 7.730 1.00 43.42 N ATOM 616 CA ASN A 40 -7.903 -8.497 8.021 1.00 15.33 C ATOM 617 C ASN A 40 -6.421 -8.359 7.625 1.00 24.33 C ATOM 618 O ASN A 40 -5.579 -9.175 8.009 1.00 12.41 O ATOM 619 CB ASN A 40 -8.082 -8.160 9.506 1.00 52.12 C ATOM 620 CG ASN A 40 -7.556 -6.782 9.865 1.00 4.33 C ATOM 621 OD1 ASN A 40 -7.598 -5.855 9.059 1.00 63.44 O ATOM 622 ND2 ASN A 40 -7.059 -6.639 11.074 1.00 64.20 N ATOM 0 H ASN A 40 -9.168 -10.148 8.393 1.00 43.42 H new ATOM 0 HA ASN A 40 -8.466 -7.790 7.412 1.00 15.33 H new ATOM 0 HB2 ASN A 40 -9.140 -8.218 9.762 1.00 52.12 H new ATOM 0 HB3 ASN A 40 -7.567 -8.909 10.108 1.00 52.12 H new ATOM 0 HD21 ASN A 40 -6.691 -5.735 11.371 1.00 64.20 H new ATOM 0 HD22 ASN A 40 -7.041 -7.432 11.715 1.00 64.20 H new ATOM 629 N PHE A 41 -6.137 -7.316 6.849 1.00 41.21 N ATOM 630 CA PHE A 41 -4.801 -7.051 6.289 1.00 30.44 C ATOM 631 C PHE A 41 -3.672 -7.214 7.317 1.00 45.05 C ATOM 632 O PHE A 41 -2.688 -7.895 7.052 1.00 12.42 O ATOM 633 CB PHE A 41 -4.759 -5.641 5.677 1.00 14.32 C ATOM 634 CG PHE A 41 -3.533 -5.361 4.841 1.00 74.13 C ATOM 635 CD1 PHE A 41 -2.387 -4.831 5.414 1.00 54.44 C ATOM 636 CD2 PHE A 41 -3.537 -5.622 3.480 1.00 50.01 C ATOM 637 CE1 PHE A 41 -1.268 -4.572 4.645 1.00 23.24 C ATOM 638 CE2 PHE A 41 -2.421 -5.364 2.706 1.00 51.40 C ATOM 639 CZ PHE A 41 -1.286 -4.837 3.289 1.00 54.24 C ATOM 0 H PHE A 41 -6.832 -6.618 6.584 1.00 41.21 H new ATOM 0 HA PHE A 41 -4.629 -7.800 5.516 1.00 30.44 H new ATOM 0 HB2 PHE A 41 -5.646 -5.500 5.059 1.00 14.32 H new ATOM 0 HB3 PHE A 41 -4.811 -4.907 6.481 1.00 14.32 H new ATOM 0 HD1 PHE A 41 -2.368 -4.618 6.473 1.00 54.44 H new ATOM 0 HD2 PHE A 41 -4.423 -6.032 3.018 1.00 50.01 H new ATOM 0 HE1 PHE A 41 -0.380 -4.163 5.104 1.00 23.24 H new ATOM 0 HE2 PHE A 41 -2.437 -5.574 1.647 1.00 51.40 H new ATOM 0 HZ PHE A 41 -0.414 -4.632 2.686 1.00 54.24 H new ATOM 649 N SER A 42 -3.827 -6.599 8.479 1.00 60.32 N ATOM 650 CA SER A 42 -2.780 -6.635 9.497 1.00 63.42 C ATOM 651 C SER A 42 -2.451 -8.068 9.977 1.00 54.52 C ATOM 652 O SER A 42 -1.282 -8.470 9.987 1.00 70.22 O ATOM 653 CB SER A 42 -3.156 -5.736 10.672 1.00 2.44 C ATOM 654 OG SER A 42 -3.353 -4.395 10.235 1.00 23.15 O ATOM 0 H SER A 42 -4.659 -6.072 8.743 1.00 60.32 H new ATOM 0 HA SER A 42 -1.870 -6.255 9.032 1.00 63.42 H new ATOM 0 HB2 SER A 42 -4.065 -6.107 11.144 1.00 2.44 H new ATOM 0 HB3 SER A 42 -2.370 -5.766 11.426 1.00 2.44 H new ATOM 0 HG SER A 42 -3.595 -3.834 11.001 1.00 23.15 H new ATOM 660 N GLU A 43 -3.471 -8.835 10.357 1.00 31.25 N ATOM 661 CA GLU A 43 -3.251 -10.201 10.864 1.00 74.43 C ATOM 662 C GLU A 43 -2.758 -11.155 9.765 1.00 73.21 C ATOM 663 O GLU A 43 -2.141 -12.179 10.053 1.00 70.32 O ATOM 664 CB GLU A 43 -4.512 -10.752 11.525 1.00 52.45 C ATOM 665 CG GLU A 43 -5.679 -10.934 10.580 1.00 34.31 C ATOM 666 CD GLU A 43 -6.876 -11.525 11.267 1.00 14.11 C ATOM 667 OE1 GLU A 43 -6.898 -12.758 11.462 1.00 73.52 O ATOM 668 OE2 GLU A 43 -7.797 -10.768 11.624 1.00 44.03 O ATOM 0 H GLU A 43 -4.448 -8.545 10.327 1.00 31.25 H new ATOM 0 HA GLU A 43 -2.465 -10.135 11.616 1.00 74.43 H new ATOM 0 HB2 GLU A 43 -4.278 -11.712 11.984 1.00 52.45 H new ATOM 0 HB3 GLU A 43 -4.811 -10.079 12.328 1.00 52.45 H new ATOM 0 HG2 GLU A 43 -5.949 -9.970 10.148 1.00 34.31 H new ATOM 0 HG3 GLU A 43 -5.379 -11.580 9.755 1.00 34.31 H new ATOM 675 N PHE A 44 -3.011 -10.805 8.526 1.00 11.12 N ATOM 676 CA PHE A 44 -2.543 -11.654 7.429 1.00 25.41 C ATOM 677 C PHE A 44 -1.225 -11.165 6.856 1.00 41.21 C ATOM 678 O PHE A 44 -0.578 -11.866 6.072 1.00 21.33 O ATOM 679 CB PHE A 44 -3.604 -11.786 6.339 1.00 42.00 C ATOM 680 CG PHE A 44 -3.562 -13.120 5.634 1.00 5.31 C ATOM 681 CD1 PHE A 44 -4.022 -14.261 6.269 1.00 31.11 C ATOM 682 CD2 PHE A 44 -3.068 -13.232 4.349 1.00 4.33 C ATOM 683 CE1 PHE A 44 -3.991 -15.486 5.632 1.00 33.31 C ATOM 684 CE2 PHE A 44 -3.034 -14.456 3.707 1.00 74.45 C ATOM 685 CZ PHE A 44 -3.496 -15.583 4.351 1.00 71.20 C ATOM 0 H PHE A 44 -3.521 -9.967 8.246 1.00 11.12 H new ATOM 0 HA PHE A 44 -2.365 -12.646 7.845 1.00 25.41 H new ATOM 0 HB2 PHE A 44 -4.590 -11.646 6.781 1.00 42.00 H new ATOM 0 HB3 PHE A 44 -3.466 -10.990 5.607 1.00 42.00 H new ATOM 0 HD1 PHE A 44 -4.410 -14.192 7.275 1.00 31.11 H new ATOM 0 HD2 PHE A 44 -2.704 -12.352 3.839 1.00 4.33 H new ATOM 0 HE1 PHE A 44 -4.355 -16.368 6.139 1.00 33.31 H new ATOM 0 HE2 PHE A 44 -2.646 -14.529 2.702 1.00 74.45 H new ATOM 0 HZ PHE A 44 -3.470 -16.540 3.852 1.00 71.20 H new ATOM 695 N SER A 45 -0.813 -9.987 7.277 1.00 24.30 N ATOM 696 CA SER A 45 0.430 -9.403 6.814 1.00 72.22 C ATOM 697 C SER A 45 1.603 -10.296 7.204 1.00 1.12 C ATOM 698 O SER A 45 2.542 -10.469 6.438 1.00 63.25 O ATOM 699 CB SER A 45 0.603 -7.991 7.406 1.00 44.45 C ATOM 700 OG SER A 45 1.762 -7.339 6.907 1.00 20.40 O ATOM 0 H SER A 45 -1.325 -9.411 7.945 1.00 24.30 H new ATOM 0 HA SER A 45 0.403 -9.321 5.727 1.00 72.22 H new ATOM 0 HB2 SER A 45 -0.277 -7.391 7.175 1.00 44.45 H new ATOM 0 HB3 SER A 45 0.666 -8.059 8.492 1.00 44.45 H new ATOM 0 HG SER A 45 1.833 -6.447 7.306 1.00 20.40 H new ATOM 706 N LYS A 46 1.507 -10.898 8.385 1.00 30.52 N ATOM 707 CA LYS A 46 2.565 -11.749 8.901 1.00 0.41 C ATOM 708 C LYS A 46 2.601 -13.121 8.214 1.00 12.20 C ATOM 709 O LYS A 46 3.631 -13.791 8.212 1.00 23.31 O ATOM 710 CB LYS A 46 2.455 -11.887 10.426 1.00 71.11 C ATOM 711 CG LYS A 46 1.100 -12.372 10.937 1.00 24.33 C ATOM 712 CD LYS A 46 1.015 -12.224 12.454 1.00 10.54 C ATOM 713 CE LYS A 46 -0.342 -12.650 13.003 1.00 41.32 C ATOM 714 NZ LYS A 46 -0.555 -14.116 12.914 1.00 20.52 N ATOM 0 H LYS A 46 0.701 -10.809 9.004 1.00 30.52 H new ATOM 0 HA LYS A 46 3.513 -11.263 8.668 1.00 0.41 H new ATOM 0 HB2 LYS A 46 3.224 -12.579 10.769 1.00 71.11 H new ATOM 0 HB3 LYS A 46 2.672 -10.920 10.879 1.00 71.11 H new ATOM 0 HG2 LYS A 46 0.301 -11.800 10.465 1.00 24.33 H new ATOM 0 HG3 LYS A 46 0.952 -13.416 10.659 1.00 24.33 H new ATOM 0 HD2 LYS A 46 1.797 -12.824 12.919 1.00 10.54 H new ATOM 0 HD3 LYS A 46 1.205 -11.186 12.727 1.00 10.54 H new ATOM 0 HE2 LYS A 46 -0.424 -12.336 14.044 1.00 41.32 H new ATOM 0 HE3 LYS A 46 -1.131 -12.137 12.452 1.00 41.32 H new ATOM 0 HZ1 LYS A 46 -1.491 -14.355 13.300 1.00 20.52 H new ATOM 0 HZ2 LYS A 46 -0.504 -14.414 11.919 1.00 20.52 H new ATOM 0 HZ3 LYS A 46 0.180 -14.607 13.461 1.00 20.52 H new ATOM 728 N LYS A 47 1.479 -13.546 7.642 1.00 24.52 N ATOM 729 CA LYS A 47 1.434 -14.812 6.913 1.00 5.41 C ATOM 730 C LYS A 47 1.980 -14.636 5.505 1.00 14.23 C ATOM 731 O LYS A 47 2.639 -15.515 4.963 1.00 43.21 O ATOM 732 CB LYS A 47 0.000 -15.348 6.866 1.00 45.32 C ATOM 733 CG LYS A 47 -0.538 -15.806 8.219 1.00 11.01 C ATOM 734 CD LYS A 47 -0.323 -17.307 8.448 1.00 33.13 C ATOM 735 CE LYS A 47 1.148 -17.708 8.380 1.00 64.05 C ATOM 736 NZ LYS A 47 1.968 -17.069 9.444 1.00 23.11 N ATOM 0 H LYS A 47 0.595 -13.038 7.667 1.00 24.52 H new ATOM 0 HA LYS A 47 2.059 -15.535 7.437 1.00 5.41 H new ATOM 0 HB2 LYS A 47 -0.654 -14.571 6.471 1.00 45.32 H new ATOM 0 HB3 LYS A 47 -0.041 -16.185 6.168 1.00 45.32 H new ATOM 0 HG2 LYS A 47 -0.046 -15.245 9.013 1.00 11.01 H new ATOM 0 HG3 LYS A 47 -1.602 -15.579 8.281 1.00 11.01 H new ATOM 0 HD2 LYS A 47 -0.726 -17.583 9.422 1.00 33.13 H new ATOM 0 HD3 LYS A 47 -0.883 -17.868 7.700 1.00 33.13 H new ATOM 0 HE2 LYS A 47 1.229 -18.792 8.466 1.00 64.05 H new ATOM 0 HE3 LYS A 47 1.550 -17.435 7.404 1.00 64.05 H new ATOM 0 HZ1 LYS A 47 2.954 -17.389 9.361 1.00 23.11 H new ATOM 0 HZ2 LYS A 47 1.929 -16.035 9.338 1.00 23.11 H new ATOM 0 HZ3 LYS A 47 1.595 -17.336 10.377 1.00 23.11 H new ATOM 750 N CYS A 48 1.696 -13.507 4.931 1.00 34.22 N ATOM 751 CA CYS A 48 2.203 -13.209 3.612 1.00 50.20 C ATOM 752 C CYS A 48 3.683 -12.822 3.641 1.00 15.33 C ATOM 753 O CYS A 48 4.449 -13.249 2.783 1.00 71.32 O ATOM 754 CB CYS A 48 1.352 -12.143 2.925 1.00 44.13 C ATOM 755 SG CYS A 48 -0.346 -12.702 2.544 1.00 23.33 S ATOM 0 H CYS A 48 1.119 -12.775 5.346 1.00 34.22 H new ATOM 0 HA CYS A 48 2.131 -14.122 3.021 1.00 50.20 H new ATOM 0 HB2 CYS A 48 1.301 -11.262 3.564 1.00 44.13 H new ATOM 0 HB3 CYS A 48 1.842 -11.838 2.000 1.00 44.13 H new ATOM 760 N SER A 49 4.083 -12.028 4.628 1.00 0.24 N ATOM 761 CA SER A 49 5.480 -11.600 4.753 1.00 73.13 C ATOM 762 C SER A 49 6.455 -12.786 4.778 1.00 22.43 C ATOM 763 O SER A 49 7.500 -12.752 4.120 1.00 12.13 O ATOM 764 CB SER A 49 5.665 -10.741 6.005 1.00 72.04 C ATOM 765 OG SER A 49 5.250 -11.436 7.165 1.00 40.50 O ATOM 0 H SER A 49 3.465 -11.666 5.354 1.00 0.24 H new ATOM 0 HA SER A 49 5.712 -11.007 3.868 1.00 73.13 H new ATOM 0 HB2 SER A 49 6.713 -10.456 6.103 1.00 72.04 H new ATOM 0 HB3 SER A 49 5.092 -9.819 5.905 1.00 72.04 H new ATOM 0 HG SER A 49 5.524 -10.936 7.962 1.00 40.50 H new ATOM 771 N GLU A 50 6.099 -13.841 5.514 1.00 14.41 N ATOM 772 CA GLU A 50 6.961 -15.018 5.624 1.00 33.31 C ATOM 773 C GLU A 50 7.102 -15.729 4.280 1.00 50.14 C ATOM 774 O GLU A 50 8.083 -16.433 4.034 1.00 15.45 O ATOM 775 CB GLU A 50 6.449 -15.989 6.688 1.00 4.12 C ATOM 776 CG GLU A 50 5.074 -16.548 6.416 1.00 25.45 C ATOM 777 CD GLU A 50 4.754 -17.733 7.288 1.00 65.11 C ATOM 778 OE1 GLU A 50 4.400 -17.535 8.471 1.00 22.22 O ATOM 779 OE2 GLU A 50 4.852 -18.877 6.794 1.00 42.23 O ATOM 0 H GLU A 50 5.227 -13.904 6.039 1.00 14.41 H new ATOM 0 HA GLU A 50 7.946 -14.667 5.931 1.00 33.31 H new ATOM 0 HB2 GLU A 50 7.153 -16.817 6.775 1.00 4.12 H new ATOM 0 HB3 GLU A 50 6.436 -15.479 7.651 1.00 4.12 H new ATOM 0 HG2 GLU A 50 4.329 -15.769 6.579 1.00 25.45 H new ATOM 0 HG3 GLU A 50 5.005 -16.842 5.369 1.00 25.45 H new ATOM 786 N ARG A 51 6.132 -15.526 3.405 1.00 20.11 N ATOM 787 CA ARG A 51 6.182 -16.127 2.092 1.00 25.44 C ATOM 788 C ARG A 51 6.863 -15.184 1.112 1.00 51.03 C ATOM 789 O ARG A 51 7.611 -15.616 0.248 1.00 55.12 O ATOM 790 CB ARG A 51 4.785 -16.513 1.603 1.00 55.30 C ATOM 791 CG ARG A 51 4.787 -17.222 0.260 1.00 31.22 C ATOM 792 CD ARG A 51 3.429 -17.816 -0.063 1.00 71.22 C ATOM 793 NE ARG A 51 3.415 -18.445 -1.385 1.00 15.44 N ATOM 794 CZ ARG A 51 2.743 -19.557 -1.690 1.00 62.21 C ATOM 795 NH1 ARG A 51 2.008 -20.172 -0.768 1.00 3.42 N ATOM 796 NH2 ARG A 51 2.799 -20.048 -2.924 1.00 33.53 N ATOM 0 H ARG A 51 5.307 -14.953 3.582 1.00 20.11 H new ATOM 0 HA ARG A 51 6.767 -17.044 2.157 1.00 25.44 H new ATOM 0 HB2 ARG A 51 4.315 -17.158 2.345 1.00 55.30 H new ATOM 0 HB3 ARG A 51 4.173 -15.614 1.529 1.00 55.30 H new ATOM 0 HG2 ARG A 51 5.072 -16.519 -0.522 1.00 31.22 H new ATOM 0 HG3 ARG A 51 5.538 -18.012 0.267 1.00 31.22 H new ATOM 0 HD2 ARG A 51 3.165 -18.554 0.694 1.00 71.22 H new ATOM 0 HD3 ARG A 51 2.671 -17.034 -0.024 1.00 71.22 H new ATOM 0 HE ARG A 51 3.958 -18.002 -2.126 1.00 15.44 H new ATOM 0 HH11 ARG A 51 1.956 -19.794 0.178 1.00 3.42 H new ATOM 0 HH12 ARG A 51 1.497 -21.022 -1.007 1.00 3.42 H new ATOM 0 HH21 ARG A 51 3.355 -19.575 -3.636 1.00 33.53 H new ATOM 0 HH22 ARG A 51 2.286 -20.898 -3.159 1.00 33.53 H new ATOM 810 N TRP A 52 6.617 -13.916 1.276 1.00 61.35 N ATOM 811 CA TRP A 52 7.235 -12.882 0.453 1.00 14.22 C ATOM 812 C TRP A 52 8.754 -12.977 0.540 1.00 51.25 C ATOM 813 O TRP A 52 9.453 -12.965 -0.475 1.00 31.23 O ATOM 814 CB TRP A 52 6.765 -11.485 0.899 1.00 62.31 C ATOM 815 CG TRP A 52 7.558 -10.364 0.293 1.00 31.33 C ATOM 816 CD1 TRP A 52 8.505 -9.602 0.915 1.00 4.24 C ATOM 817 CD2 TRP A 52 7.490 -9.890 -1.056 1.00 63.11 C ATOM 818 NE1 TRP A 52 9.023 -8.687 0.038 1.00 13.13 N ATOM 819 CE2 TRP A 52 8.420 -8.843 -1.177 1.00 35.45 C ATOM 820 CE3 TRP A 52 6.733 -10.248 -2.170 1.00 25.21 C ATOM 821 CZ2 TRP A 52 8.613 -8.155 -2.369 1.00 54.41 C ATOM 822 CZ3 TRP A 52 6.926 -9.565 -3.353 1.00 32.23 C ATOM 823 CH2 TRP A 52 7.859 -8.531 -3.444 1.00 43.21 C ATOM 0 H TRP A 52 5.980 -13.554 1.986 1.00 61.35 H new ATOM 0 HA TRP A 52 6.931 -13.037 -0.582 1.00 14.22 H new ATOM 0 HB2 TRP A 52 5.715 -11.362 0.633 1.00 62.31 H new ATOM 0 HB3 TRP A 52 6.829 -11.419 1.985 1.00 62.31 H new ATOM 0 HD1 TRP A 52 8.802 -9.706 1.948 1.00 4.24 H new ATOM 0 HE1 TRP A 52 9.744 -7.999 0.257 1.00 13.13 H new ATOM 0 HE3 TRP A 52 6.008 -11.046 -2.108 1.00 25.21 H new ATOM 0 HZ2 TRP A 52 9.332 -7.353 -2.443 1.00 54.41 H new ATOM 0 HZ3 TRP A 52 6.346 -9.835 -4.223 1.00 32.23 H new ATOM 0 HH2 TRP A 52 7.988 -8.017 -4.385 1.00 43.21 H new ATOM 834 N LYS A 53 9.246 -13.109 1.761 1.00 64.02 N ATOM 835 CA LYS A 53 10.676 -13.199 2.014 1.00 4.01 C ATOM 836 C LYS A 53 11.256 -14.541 1.564 1.00 50.43 C ATOM 837 O LYS A 53 12.468 -14.725 1.566 1.00 11.44 O ATOM 838 CB LYS A 53 10.968 -12.968 3.495 1.00 13.02 C ATOM 839 CG LYS A 53 10.649 -11.557 3.967 1.00 13.00 C ATOM 840 CD LYS A 53 10.770 -11.402 5.486 1.00 35.34 C ATOM 841 CE LYS A 53 12.201 -11.613 5.994 1.00 45.34 C ATOM 842 NZ LYS A 53 12.552 -13.052 6.143 1.00 11.41 N ATOM 0 H LYS A 53 8.670 -13.157 2.601 1.00 64.02 H new ATOM 0 HA LYS A 53 11.160 -12.420 1.425 1.00 4.01 H new ATOM 0 HB2 LYS A 53 10.390 -13.679 4.086 1.00 13.02 H new ATOM 0 HB3 LYS A 53 12.021 -13.176 3.686 1.00 13.02 H new ATOM 0 HG2 LYS A 53 11.324 -10.854 3.479 1.00 13.00 H new ATOM 0 HG3 LYS A 53 9.637 -11.295 3.658 1.00 13.00 H new ATOM 0 HD2 LYS A 53 10.431 -10.407 5.773 1.00 35.34 H new ATOM 0 HD3 LYS A 53 10.107 -12.117 5.973 1.00 35.34 H new ATOM 0 HE2 LYS A 53 12.900 -11.142 5.303 1.00 45.34 H new ATOM 0 HE3 LYS A 53 12.318 -11.113 6.956 1.00 45.34 H new ATOM 0 HZ1 LYS A 53 12.912 -13.224 7.103 1.00 11.41 H new ATOM 0 HZ2 LYS A 53 11.706 -13.634 5.981 1.00 11.41 H new ATOM 0 HZ3 LYS A 53 13.284 -13.305 5.448 1.00 11.41 H new ATOM 856 N THR A 54 10.394 -15.476 1.188 1.00 22.03 N ATOM 857 CA THR A 54 10.853 -16.779 0.741 1.00 65.22 C ATOM 858 C THR A 54 10.535 -17.018 -0.739 1.00 71.12 C ATOM 859 O THR A 54 10.600 -18.151 -1.225 1.00 22.32 O ATOM 860 CB THR A 54 10.269 -17.924 1.602 1.00 34.32 C ATOM 861 OG1 THR A 54 8.856 -17.755 1.765 1.00 3.55 O ATOM 862 CG2 THR A 54 10.938 -17.968 2.969 1.00 53.21 C ATOM 0 H THR A 54 9.381 -15.356 1.184 1.00 22.03 H new ATOM 0 HA THR A 54 11.936 -16.781 0.863 1.00 65.22 H new ATOM 0 HB THR A 54 10.461 -18.865 1.086 1.00 34.32 H new ATOM 0 HG1 THR A 54 8.681 -17.207 2.558 1.00 3.55 H new ATOM 0 HG21 THR A 54 10.511 -18.781 3.557 1.00 53.21 H new ATOM 0 HG22 THR A 54 12.008 -18.133 2.845 1.00 53.21 H new ATOM 0 HG23 THR A 54 10.774 -17.022 3.485 1.00 53.21 H new ATOM 870 N MET A 55 10.186 -15.952 -1.454 1.00 31.12 N ATOM 871 CA MET A 55 9.929 -16.056 -2.886 1.00 23.43 C ATOM 872 C MET A 55 11.145 -15.593 -3.662 1.00 43.03 C ATOM 873 O MET A 55 11.891 -14.738 -3.193 1.00 42.54 O ATOM 874 CB MET A 55 8.706 -15.242 -3.307 1.00 33.42 C ATOM 875 CG MET A 55 7.399 -15.727 -2.714 1.00 50.43 C ATOM 876 SD MET A 55 5.956 -15.066 -3.573 1.00 13.40 S ATOM 877 CE MET A 55 6.323 -13.316 -3.560 1.00 51.12 C ATOM 0 H MET A 55 10.075 -15.014 -1.069 1.00 31.12 H new ATOM 0 HA MET A 55 9.723 -17.103 -3.109 1.00 23.43 H new ATOM 0 HB2 MET A 55 8.859 -14.202 -3.017 1.00 33.42 H new ATOM 0 HB3 MET A 55 8.628 -15.262 -4.394 1.00 33.42 H new ATOM 0 HG2 MET A 55 7.371 -16.816 -2.750 1.00 50.43 H new ATOM 0 HG3 MET A 55 7.353 -15.441 -1.663 1.00 50.43 H new ATOM 0 HE1 MET A 55 5.394 -12.750 -3.487 1.00 51.12 H new ATOM 0 HE2 MET A 55 6.957 -13.084 -2.705 1.00 51.12 H new ATOM 0 HE3 MET A 55 6.841 -13.046 -4.480 1.00 51.12 H new ATOM 887 N SER A 56 11.350 -16.153 -4.833 1.00 22.04 N ATOM 888 CA SER A 56 12.515 -15.828 -5.626 1.00 53.22 C ATOM 889 C SER A 56 12.302 -14.553 -6.470 1.00 4.41 C ATOM 890 O SER A 56 11.230 -13.930 -6.437 1.00 62.21 O ATOM 891 CB SER A 56 12.877 -17.011 -6.521 1.00 13.32 C ATOM 892 OG SER A 56 13.028 -18.200 -5.753 1.00 53.11 O ATOM 0 H SER A 56 10.724 -16.837 -5.258 1.00 22.04 H new ATOM 0 HA SER A 56 13.340 -15.625 -4.943 1.00 53.22 H new ATOM 0 HB2 SER A 56 12.101 -17.155 -7.273 1.00 13.32 H new ATOM 0 HB3 SER A 56 13.803 -16.798 -7.055 1.00 13.32 H new ATOM 0 HG SER A 56 13.258 -18.945 -6.346 1.00 53.11 H new ATOM 898 N ALA A 57 13.330 -14.206 -7.235 1.00 60.31 N ATOM 899 CA ALA A 57 13.311 -12.997 -8.069 1.00 54.34 C ATOM 900 C ALA A 57 12.182 -13.022 -9.105 1.00 12.23 C ATOM 901 O ALA A 57 11.668 -11.971 -9.505 1.00 60.40 O ATOM 902 CB ALA A 57 14.655 -12.809 -8.753 1.00 63.51 C ATOM 0 H ALA A 57 14.194 -14.744 -7.299 1.00 60.31 H new ATOM 0 HA ALA A 57 13.121 -12.151 -7.409 1.00 54.34 H new ATOM 0 HB1 ALA A 57 14.628 -11.910 -9.368 1.00 63.51 H new ATOM 0 HB2 ALA A 57 15.436 -12.710 -7.999 1.00 63.51 H new ATOM 0 HB3 ALA A 57 14.867 -13.673 -9.383 1.00 63.51 H new ATOM 908 N LYS A 58 11.795 -14.213 -9.525 1.00 25.15 N ATOM 909 CA LYS A 58 10.726 -14.386 -10.498 1.00 35.55 C ATOM 910 C LYS A 58 9.387 -13.944 -9.914 1.00 21.43 C ATOM 911 O LYS A 58 8.617 -13.227 -10.557 1.00 32.12 O ATOM 912 CB LYS A 58 10.653 -15.862 -10.924 1.00 34.31 C ATOM 913 CG LYS A 58 9.416 -16.231 -11.737 1.00 15.13 C ATOM 914 CD LYS A 58 9.402 -15.550 -13.094 1.00 1.44 C ATOM 915 CE LYS A 58 8.121 -15.864 -13.853 1.00 13.00 C ATOM 916 NZ LYS A 58 7.892 -17.328 -13.979 1.00 3.44 N ATOM 0 H LYS A 58 12.210 -15.087 -9.203 1.00 25.15 H new ATOM 0 HA LYS A 58 10.940 -13.766 -11.369 1.00 35.55 H new ATOM 0 HB2 LYS A 58 11.541 -16.101 -11.510 1.00 34.31 H new ATOM 0 HB3 LYS A 58 10.683 -16.486 -10.031 1.00 34.31 H new ATOM 0 HG2 LYS A 58 9.381 -17.312 -11.874 1.00 15.13 H new ATOM 0 HG3 LYS A 58 8.521 -15.951 -11.182 1.00 15.13 H new ATOM 0 HD2 LYS A 58 9.496 -14.472 -12.964 1.00 1.44 H new ATOM 0 HD3 LYS A 58 10.263 -15.877 -13.677 1.00 1.44 H new ATOM 0 HE2 LYS A 58 7.275 -15.408 -13.340 1.00 13.00 H new ATOM 0 HE3 LYS A 58 8.170 -15.418 -14.846 1.00 13.00 H new ATOM 0 HZ1 LYS A 58 7.132 -17.503 -14.667 1.00 3.44 H new ATOM 0 HZ2 LYS A 58 8.766 -17.789 -14.304 1.00 3.44 H new ATOM 0 HZ3 LYS A 58 7.618 -17.717 -13.054 1.00 3.44 H new ATOM 930 N GLU A 59 9.138 -14.350 -8.688 1.00 34.41 N ATOM 931 CA GLU A 59 7.880 -14.066 -8.025 1.00 44.51 C ATOM 932 C GLU A 59 7.808 -12.619 -7.560 1.00 22.24 C ATOM 933 O GLU A 59 6.741 -12.020 -7.549 1.00 21.11 O ATOM 934 CB GLU A 59 7.695 -15.005 -6.844 1.00 30.22 C ATOM 935 CG GLU A 59 7.756 -16.479 -7.217 1.00 10.44 C ATOM 936 CD GLU A 59 6.680 -16.880 -8.204 1.00 10.11 C ATOM 937 OE1 GLU A 59 6.808 -16.551 -9.398 1.00 32.13 O ATOM 938 OE2 GLU A 59 5.708 -17.548 -7.791 1.00 54.11 O ATOM 0 H GLU A 59 9.798 -14.884 -8.123 1.00 34.41 H new ATOM 0 HA GLU A 59 7.076 -14.224 -8.744 1.00 44.51 H new ATOM 0 HB2 GLU A 59 8.465 -14.796 -6.101 1.00 30.22 H new ATOM 0 HB3 GLU A 59 6.733 -14.798 -6.374 1.00 30.22 H new ATOM 0 HG2 GLU A 59 8.734 -16.701 -7.643 1.00 10.44 H new ATOM 0 HG3 GLU A 59 7.657 -17.082 -6.314 1.00 10.44 H new ATOM 945 N LYS A 60 8.948 -12.045 -7.219 1.00 40.30 N ATOM 946 CA LYS A 60 8.990 -10.674 -6.734 1.00 14.05 C ATOM 947 C LYS A 60 8.891 -9.684 -7.878 1.00 43.51 C ATOM 948 O LYS A 60 8.303 -8.613 -7.732 1.00 64.31 O ATOM 949 CB LYS A 60 10.255 -10.421 -5.917 1.00 64.34 C ATOM 950 CG LYS A 60 10.321 -11.222 -4.628 1.00 71.44 C ATOM 951 CD LYS A 60 11.573 -10.890 -3.836 1.00 3.14 C ATOM 952 CE LYS A 60 11.640 -11.691 -2.547 1.00 12.12 C ATOM 953 NZ LYS A 60 12.891 -11.429 -1.797 1.00 72.15 N ATOM 0 H LYS A 60 9.857 -12.505 -7.268 1.00 40.30 H new ATOM 0 HA LYS A 60 8.127 -10.529 -6.084 1.00 14.05 H new ATOM 0 HB2 LYS A 60 11.125 -10.661 -6.528 1.00 64.34 H new ATOM 0 HB3 LYS A 60 10.316 -9.359 -5.678 1.00 64.34 H new ATOM 0 HG2 LYS A 60 9.439 -11.014 -4.022 1.00 71.44 H new ATOM 0 HG3 LYS A 60 10.305 -12.287 -4.858 1.00 71.44 H new ATOM 0 HD2 LYS A 60 12.455 -11.098 -4.442 1.00 3.14 H new ATOM 0 HD3 LYS A 60 11.588 -9.825 -3.606 1.00 3.14 H new ATOM 0 HE2 LYS A 60 10.783 -11.443 -1.921 1.00 12.12 H new ATOM 0 HE3 LYS A 60 11.570 -12.754 -2.776 1.00 12.12 H new ATOM 0 HZ1 LYS A 60 12.898 -11.995 -0.924 1.00 72.15 H new ATOM 0 HZ2 LYS A 60 13.709 -11.689 -2.384 1.00 72.15 H new ATOM 0 HZ3 LYS A 60 12.946 -10.419 -1.555 1.00 72.15 H new ATOM 967 N GLY A 61 9.452 -10.057 -9.021 1.00 41.41 N ATOM 968 CA GLY A 61 9.420 -9.193 -10.185 1.00 74.12 C ATOM 969 C GLY A 61 8.013 -8.867 -10.627 1.00 30.21 C ATOM 970 O GLY A 61 7.750 -7.772 -11.132 1.00 72.02 O ATOM 0 H GLY A 61 9.931 -10.946 -9.163 1.00 41.41 H new ATOM 0 HA2 GLY A 61 9.950 -8.267 -9.961 1.00 74.12 H new ATOM 0 HA3 GLY A 61 9.952 -9.675 -11.005 1.00 74.12 H new ATOM 974 N LYS A 62 7.109 -9.815 -10.429 1.00 74.54 N ATOM 975 CA LYS A 62 5.712 -9.634 -10.779 1.00 2.05 C ATOM 976 C LYS A 62 5.090 -8.524 -9.940 1.00 71.13 C ATOM 977 O LYS A 62 4.404 -7.640 -10.457 1.00 30.12 O ATOM 978 CB LYS A 62 4.940 -10.941 -10.561 1.00 32.25 C ATOM 979 CG LYS A 62 3.435 -10.799 -10.720 1.00 63.53 C ATOM 980 CD LYS A 62 2.710 -12.093 -10.399 1.00 52.23 C ATOM 981 CE LYS A 62 1.201 -11.903 -10.439 1.00 21.13 C ATOM 982 NZ LYS A 62 0.738 -11.394 -11.756 1.00 31.44 N ATOM 0 H LYS A 62 7.324 -10.726 -10.023 1.00 74.54 H new ATOM 0 HA LYS A 62 5.655 -9.354 -11.831 1.00 2.05 H new ATOM 0 HB2 LYS A 62 5.302 -11.688 -11.268 1.00 32.25 H new ATOM 0 HB3 LYS A 62 5.156 -11.317 -9.561 1.00 32.25 H new ATOM 0 HG2 LYS A 62 3.073 -10.007 -10.064 1.00 63.53 H new ATOM 0 HG3 LYS A 62 3.204 -10.497 -11.742 1.00 63.53 H new ATOM 0 HD2 LYS A 62 3.001 -12.863 -11.113 1.00 52.23 H new ATOM 0 HD3 LYS A 62 3.009 -12.445 -9.412 1.00 52.23 H new ATOM 0 HE2 LYS A 62 0.710 -12.852 -10.225 1.00 21.13 H new ATOM 0 HE3 LYS A 62 0.903 -11.206 -9.656 1.00 21.13 H new ATOM 0 HZ1 LYS A 62 -0.299 -11.455 -11.807 1.00 31.44 H new ATOM 0 HZ2 LYS A 62 1.033 -10.403 -11.868 1.00 31.44 H new ATOM 0 HZ3 LYS A 62 1.156 -11.968 -12.516 1.00 31.44 H new ATOM 996 N PHE A 63 5.349 -8.569 -8.648 1.00 1.25 N ATOM 997 CA PHE A 63 4.775 -7.609 -7.729 1.00 43.54 C ATOM 998 C PHE A 63 5.467 -6.257 -7.818 1.00 44.00 C ATOM 999 O PHE A 63 4.870 -5.233 -7.495 1.00 21.22 O ATOM 1000 CB PHE A 63 4.779 -8.160 -6.304 1.00 13.23 C ATOM 1001 CG PHE A 63 3.951 -9.409 -6.175 1.00 42.24 C ATOM 1002 CD1 PHE A 63 2.569 -9.340 -6.156 1.00 21.34 C ATOM 1003 CD2 PHE A 63 4.552 -10.651 -6.097 1.00 0.02 C ATOM 1004 CE1 PHE A 63 1.802 -10.484 -6.059 1.00 34.12 C ATOM 1005 CE2 PHE A 63 3.791 -11.801 -6.002 1.00 32.50 C ATOM 1006 CZ PHE A 63 2.414 -11.716 -5.984 1.00 24.12 C ATOM 0 H PHE A 63 5.955 -9.263 -8.211 1.00 1.25 H new ATOM 0 HA PHE A 63 3.737 -7.445 -8.020 1.00 43.54 H new ATOM 0 HB2 PHE A 63 5.804 -8.373 -6.002 1.00 13.23 H new ATOM 0 HB3 PHE A 63 4.397 -7.401 -5.622 1.00 13.23 H new ATOM 0 HD1 PHE A 63 2.083 -8.377 -6.218 1.00 21.34 H new ATOM 0 HD2 PHE A 63 5.629 -10.724 -6.110 1.00 0.02 H new ATOM 0 HE1 PHE A 63 0.724 -10.413 -6.042 1.00 34.12 H new ATOM 0 HE2 PHE A 63 4.274 -12.765 -5.942 1.00 32.50 H new ATOM 0 HZ PHE A 63 1.817 -12.613 -5.911 1.00 24.12 H new ATOM 1016 N GLU A 64 6.724 -6.249 -8.257 1.00 60.43 N ATOM 1017 CA GLU A 64 7.437 -4.994 -8.466 1.00 31.45 C ATOM 1018 C GLU A 64 6.748 -4.180 -9.541 1.00 4.11 C ATOM 1019 O GLU A 64 6.257 -3.088 -9.279 1.00 72.13 O ATOM 1020 CB GLU A 64 8.892 -5.229 -8.864 1.00 10.34 C ATOM 1021 CG GLU A 64 9.805 -5.605 -7.719 1.00 21.03 C ATOM 1022 CD GLU A 64 11.260 -5.504 -8.103 1.00 32.21 C ATOM 1023 OE1 GLU A 64 11.755 -4.369 -8.275 1.00 75.01 O ATOM 1024 OE2 GLU A 64 11.922 -6.552 -8.235 1.00 41.20 O ATOM 0 H GLU A 64 7.263 -7.088 -8.472 1.00 60.43 H new ATOM 0 HA GLU A 64 7.427 -4.450 -7.522 1.00 31.45 H new ATOM 0 HB2 GLU A 64 8.927 -6.019 -9.614 1.00 10.34 H new ATOM 0 HB3 GLU A 64 9.276 -4.325 -9.336 1.00 10.34 H new ATOM 0 HG2 GLU A 64 9.608 -4.953 -6.868 1.00 21.03 H new ATOM 0 HG3 GLU A 64 9.584 -6.623 -7.398 1.00 21.03 H new ATOM 1031 N ASP A 65 6.751 -4.716 -10.761 1.00 35.40 N ATOM 1032 CA ASP A 65 6.085 -4.093 -11.913 1.00 3.23 C ATOM 1033 C ASP A 65 4.711 -3.516 -11.566 1.00 22.32 C ATOM 1034 O ASP A 65 4.412 -2.365 -11.903 1.00 12.55 O ATOM 1035 CB ASP A 65 5.949 -5.099 -13.052 1.00 72.21 C ATOM 1036 CG ASP A 65 5.255 -4.507 -14.256 1.00 31.20 C ATOM 1037 OD1 ASP A 65 5.885 -3.705 -14.974 1.00 54.45 O ATOM 1038 OD2 ASP A 65 4.077 -4.840 -14.494 1.00 65.13 O ATOM 0 H ASP A 65 7.215 -5.597 -10.983 1.00 35.40 H new ATOM 0 HA ASP A 65 6.715 -3.260 -12.225 1.00 3.23 H new ATOM 0 HB2 ASP A 65 6.938 -5.453 -13.342 1.00 72.21 H new ATOM 0 HB3 ASP A 65 5.390 -5.967 -12.703 1.00 72.21 H new ATOM 1043 N MET A 66 3.883 -4.306 -10.893 1.00 61.43 N ATOM 1044 CA MET A 66 2.546 -3.853 -10.515 1.00 73.00 C ATOM 1045 C MET A 66 2.606 -2.708 -9.509 1.00 3.14 C ATOM 1046 O MET A 66 1.819 -1.769 -9.584 1.00 41.51 O ATOM 1047 CB MET A 66 1.711 -5.005 -9.957 1.00 54.11 C ATOM 1048 CG MET A 66 1.420 -6.101 -10.965 1.00 25.11 C ATOM 1049 SD MET A 66 0.261 -7.335 -10.342 1.00 22.33 S ATOM 1050 CE MET A 66 1.131 -7.918 -8.896 1.00 22.21 C ATOM 0 H MET A 66 4.109 -5.256 -10.599 1.00 61.43 H new ATOM 0 HA MET A 66 2.064 -3.483 -11.420 1.00 73.00 H new ATOM 0 HB2 MET A 66 2.233 -5.439 -9.104 1.00 54.11 H new ATOM 0 HB3 MET A 66 0.767 -4.608 -9.584 1.00 54.11 H new ATOM 0 HG2 MET A 66 1.015 -5.655 -11.873 1.00 25.11 H new ATOM 0 HG3 MET A 66 2.353 -6.592 -11.240 1.00 25.11 H new ATOM 0 HE1 MET A 66 0.631 -8.803 -8.503 1.00 22.21 H new ATOM 0 HE2 MET A 66 2.157 -8.170 -9.166 1.00 22.21 H new ATOM 0 HE3 MET A 66 1.137 -7.137 -8.136 1.00 22.21 H new ATOM 1060 N ALA A 67 3.556 -2.779 -8.583 1.00 13.22 N ATOM 1061 CA ALA A 67 3.725 -1.739 -7.570 1.00 21.02 C ATOM 1062 C ALA A 67 4.154 -0.426 -8.204 1.00 72.40 C ATOM 1063 O ALA A 67 3.898 0.655 -7.666 1.00 60.33 O ATOM 1064 CB ALA A 67 4.739 -2.172 -6.533 1.00 14.20 C ATOM 0 H ALA A 67 4.223 -3.547 -8.512 1.00 13.22 H new ATOM 0 HA ALA A 67 2.763 -1.585 -7.081 1.00 21.02 H new ATOM 0 HB1 ALA A 67 4.853 -1.387 -5.786 1.00 14.20 H new ATOM 0 HB2 ALA A 67 4.396 -3.086 -6.049 1.00 14.20 H new ATOM 0 HB3 ALA A 67 5.698 -2.355 -7.017 1.00 14.20 H new ATOM 1070 N LYS A 68 4.822 -0.524 -9.341 1.00 23.44 N ATOM 1071 CA LYS A 68 5.252 0.653 -10.079 1.00 51.51 C ATOM 1072 C LYS A 68 4.047 1.355 -10.670 1.00 24.41 C ATOM 1073 O LYS A 68 4.027 2.570 -10.815 1.00 34.14 O ATOM 1074 CB LYS A 68 6.213 0.262 -11.198 1.00 24.10 C ATOM 1075 CG LYS A 68 7.456 -0.466 -10.722 1.00 14.35 C ATOM 1076 CD LYS A 68 8.296 -0.950 -11.894 1.00 72.24 C ATOM 1077 CE LYS A 68 8.887 0.208 -12.687 1.00 2.01 C ATOM 1078 NZ LYS A 68 9.838 1.011 -11.877 1.00 11.22 N ATOM 0 H LYS A 68 5.079 -1.410 -9.775 1.00 23.44 H new ATOM 0 HA LYS A 68 5.767 1.325 -9.392 1.00 51.51 H new ATOM 0 HB2 LYS A 68 5.685 -0.371 -11.911 1.00 24.10 H new ATOM 0 HB3 LYS A 68 6.515 1.162 -11.734 1.00 24.10 H new ATOM 0 HG2 LYS A 68 8.051 0.198 -10.095 1.00 14.35 H new ATOM 0 HG3 LYS A 68 7.168 -1.316 -10.103 1.00 14.35 H new ATOM 0 HD2 LYS A 68 9.101 -1.586 -11.525 1.00 72.24 H new ATOM 0 HD3 LYS A 68 7.681 -1.564 -12.552 1.00 72.24 H new ATOM 0 HE2 LYS A 68 9.399 -0.180 -13.568 1.00 2.01 H new ATOM 0 HE3 LYS A 68 8.082 0.851 -13.044 1.00 2.01 H new ATOM 0 HZ1 LYS A 68 10.390 1.631 -12.503 1.00 11.22 H new ATOM 0 HZ2 LYS A 68 9.309 1.591 -11.194 1.00 11.22 H new ATOM 0 HZ3 LYS A 68 10.482 0.374 -11.365 1.00 11.22 H new ATOM 1092 N ALA A 69 3.027 0.575 -10.983 1.00 65.21 N ATOM 1093 CA ALA A 69 1.818 1.100 -11.581 1.00 24.13 C ATOM 1094 C ALA A 69 0.942 1.803 -10.548 1.00 25.14 C ATOM 1095 O ALA A 69 0.021 2.539 -10.908 1.00 21.11 O ATOM 1096 CB ALA A 69 1.044 -0.013 -12.271 1.00 61.33 C ATOM 0 H ALA A 69 3.016 -0.433 -10.830 1.00 65.21 H new ATOM 0 HA ALA A 69 2.108 1.841 -12.326 1.00 24.13 H new ATOM 0 HB1 ALA A 69 0.137 0.396 -12.716 1.00 61.33 H new ATOM 0 HB2 ALA A 69 1.663 -0.457 -13.051 1.00 61.33 H new ATOM 0 HB3 ALA A 69 0.777 -0.777 -11.541 1.00 61.33 H new ATOM 1102 N ASP A 70 1.229 1.589 -9.264 1.00 42.22 N ATOM 1103 CA ASP A 70 0.442 2.218 -8.206 1.00 32.02 C ATOM 1104 C ASP A 70 0.829 3.673 -8.046 1.00 34.24 C ATOM 1105 O ASP A 70 0.078 4.465 -7.510 1.00 31.41 O ATOM 1106 CB ASP A 70 0.594 1.489 -6.866 1.00 65.14 C ATOM 1107 CG ASP A 70 -0.452 1.936 -5.842 1.00 22.50 C ATOM 1108 OD1 ASP A 70 -1.644 1.614 -6.029 1.00 4.44 O ATOM 1109 OD2 ASP A 70 -0.088 2.610 -4.852 1.00 20.13 O ATOM 0 H ASP A 70 1.989 0.994 -8.935 1.00 42.22 H new ATOM 0 HA ASP A 70 -0.604 2.154 -8.505 1.00 32.02 H new ATOM 0 HB2 ASP A 70 0.506 0.415 -7.027 1.00 65.14 H new ATOM 0 HB3 ASP A 70 1.592 1.671 -6.467 1.00 65.14 H new ATOM 1114 N LYS A 71 1.996 4.043 -8.535 1.00 30.25 N ATOM 1115 CA LYS A 71 2.418 5.424 -8.419 1.00 13.22 C ATOM 1116 C LYS A 71 1.514 6.320 -9.269 1.00 71.02 C ATOM 1117 O LYS A 71 1.333 7.490 -8.971 1.00 61.41 O ATOM 1118 CB LYS A 71 3.897 5.604 -8.813 1.00 23.41 C ATOM 1119 CG LYS A 71 4.168 5.543 -10.305 1.00 62.03 C ATOM 1120 CD LYS A 71 5.655 5.645 -10.601 1.00 72.20 C ATOM 1121 CE LYS A 71 5.923 5.681 -12.096 1.00 33.02 C ATOM 1122 NZ LYS A 71 5.486 6.959 -12.711 1.00 31.12 N ATOM 0 H LYS A 71 2.655 3.423 -9.006 1.00 30.25 H new ATOM 0 HA LYS A 71 2.327 5.719 -7.374 1.00 13.22 H new ATOM 0 HB2 LYS A 71 4.246 6.564 -8.433 1.00 23.41 H new ATOM 0 HB3 LYS A 71 4.487 4.832 -8.319 1.00 23.41 H new ATOM 0 HG2 LYS A 71 3.778 4.609 -10.710 1.00 62.03 H new ATOM 0 HG3 LYS A 71 3.639 6.353 -10.806 1.00 62.03 H new ATOM 0 HD2 LYS A 71 6.059 6.544 -10.136 1.00 72.20 H new ATOM 0 HD3 LYS A 71 6.175 4.796 -10.157 1.00 72.20 H new ATOM 0 HE2 LYS A 71 6.988 5.538 -12.276 1.00 33.02 H new ATOM 0 HE3 LYS A 71 5.404 4.852 -12.577 1.00 33.02 H new ATOM 0 HZ1 LYS A 71 5.609 6.908 -13.742 1.00 31.12 H new ATOM 0 HZ2 LYS A 71 4.484 7.126 -12.490 1.00 31.12 H new ATOM 0 HZ3 LYS A 71 6.059 7.740 -12.332 1.00 31.12 H new ATOM 1136 N ALA A 72 0.900 5.724 -10.293 1.00 13.51 N ATOM 1137 CA ALA A 72 0.027 6.443 -11.218 1.00 32.43 C ATOM 1138 C ALA A 72 -1.202 7.040 -10.524 1.00 73.51 C ATOM 1139 O ALA A 72 -1.798 7.996 -11.023 1.00 44.43 O ATOM 1140 CB ALA A 72 -0.402 5.528 -12.348 1.00 73.23 C ATOM 0 H ALA A 72 0.995 4.730 -10.503 1.00 13.51 H new ATOM 0 HA ALA A 72 0.603 7.277 -11.620 1.00 32.43 H new ATOM 0 HB1 ALA A 72 -1.052 6.074 -13.031 1.00 73.23 H new ATOM 0 HB2 ALA A 72 0.478 5.178 -12.887 1.00 73.23 H new ATOM 0 HB3 ALA A 72 -0.941 4.673 -11.939 1.00 73.23 H new ATOM 1146 N ARG A 73 -1.562 6.502 -9.363 1.00 1.14 N ATOM 1147 CA ARG A 73 -2.725 7.011 -8.643 1.00 0.15 C ATOM 1148 C ARG A 73 -2.305 7.965 -7.534 1.00 63.21 C ATOM 1149 O ARG A 73 -3.131 8.645 -6.939 1.00 73.45 O ATOM 1150 CB ARG A 73 -3.666 5.885 -8.129 1.00 25.20 C ATOM 1151 CG ARG A 73 -2.987 4.681 -7.482 1.00 44.43 C ATOM 1152 CD ARG A 73 -2.339 5.013 -6.145 1.00 25.02 C ATOM 1153 NE ARG A 73 -3.302 5.356 -5.107 1.00 24.52 N ATOM 1154 CZ ARG A 73 -3.129 5.057 -3.820 1.00 1.22 C ATOM 1155 NH1 ARG A 73 -2.090 4.305 -3.444 1.00 12.41 N ATOM 1156 NH2 ARG A 73 -4.001 5.483 -2.909 1.00 51.12 N ATOM 0 H ARG A 73 -1.077 5.729 -8.907 1.00 1.14 H new ATOM 0 HA ARG A 73 -3.318 7.577 -9.361 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -4.356 6.319 -7.405 1.00 25.20 H new ATOM 0 HB3 ARG A 73 -4.265 5.530 -8.967 1.00 25.20 H new ATOM 0 HG2 ARG A 73 -3.723 3.890 -7.337 1.00 44.43 H new ATOM 0 HG3 ARG A 73 -2.229 4.290 -8.160 1.00 44.43 H new ATOM 0 HD2 ARG A 73 -1.747 4.160 -5.814 1.00 25.02 H new ATOM 0 HD3 ARG A 73 -1.649 5.846 -6.280 1.00 25.02 H new ATOM 0 HE ARG A 73 -4.152 5.850 -5.379 1.00 24.52 H new ATOM 0 HH11 ARG A 73 -1.431 3.961 -4.142 1.00 12.41 H new ATOM 0 HH12 ARG A 73 -1.956 4.075 -2.459 1.00 12.41 H new ATOM 0 HH21 ARG A 73 -4.806 6.041 -3.195 1.00 51.12 H new ATOM 0 HH22 ARG A 73 -3.865 5.252 -1.925 1.00 51.12 H new ATOM 1170 N TYR A 74 -1.009 8.002 -7.262 1.00 45.12 N ATOM 1171 CA TYR A 74 -0.464 8.891 -6.249 1.00 13.30 C ATOM 1172 C TYR A 74 0.106 10.161 -6.900 1.00 12.41 C ATOM 1173 O TYR A 74 -0.053 11.265 -6.373 1.00 75.12 O ATOM 1174 CB TYR A 74 0.584 8.140 -5.383 1.00 74.35 C ATOM 1175 CG TYR A 74 1.994 8.711 -5.385 1.00 32.02 C ATOM 1176 CD1 TYR A 74 2.933 8.296 -6.323 1.00 53.31 C ATOM 1177 CD2 TYR A 74 2.391 9.644 -4.437 1.00 14.23 C ATOM 1178 CE1 TYR A 74 4.219 8.792 -6.318 1.00 62.24 C ATOM 1179 CE2 TYR A 74 3.677 10.148 -4.428 1.00 50.12 C ATOM 1180 CZ TYR A 74 4.586 9.718 -5.371 1.00 11.10 C ATOM 1181 OH TYR A 74 5.873 10.214 -5.363 1.00 22.41 O ATOM 0 H TYR A 74 -0.313 7.423 -7.732 1.00 45.12 H new ATOM 0 HA TYR A 74 -1.262 9.211 -5.579 1.00 13.30 H new ATOM 0 HB2 TYR A 74 0.225 8.118 -4.354 1.00 74.35 H new ATOM 0 HB3 TYR A 74 0.633 7.106 -5.725 1.00 74.35 H new ATOM 0 HD1 TYR A 74 2.649 7.570 -7.071 1.00 53.31 H new ATOM 0 HD2 TYR A 74 1.683 9.981 -3.694 1.00 14.23 H new ATOM 0 HE1 TYR A 74 4.934 8.455 -7.054 1.00 62.24 H new ATOM 0 HE2 TYR A 74 3.969 10.876 -3.685 1.00 50.12 H new ATOM 0 HH TYR A 74 5.970 10.859 -4.632 1.00 22.41 H new ATOM 1191 N GLU A 75 0.759 9.984 -8.057 1.00 5.35 N ATOM 1192 CA GLU A 75 1.328 11.103 -8.817 1.00 24.15 C ATOM 1193 C GLU A 75 0.280 12.179 -9.065 1.00 33.12 C ATOM 1194 O GLU A 75 0.432 13.313 -8.611 1.00 25.34 O ATOM 1195 CB GLU A 75 1.914 10.623 -10.150 1.00 23.41 C ATOM 1196 CG GLU A 75 3.123 9.716 -10.000 1.00 31.32 C ATOM 1197 CD GLU A 75 3.687 9.271 -11.330 1.00 35.44 C ATOM 1198 OE1 GLU A 75 3.256 8.221 -11.850 1.00 51.01 O ATOM 1199 OE2 GLU A 75 4.583 9.964 -11.860 1.00 13.45 O ATOM 0 H GLU A 75 0.906 9.071 -8.488 1.00 5.35 H new ATOM 0 HA GLU A 75 2.133 11.531 -8.220 1.00 24.15 H new ATOM 0 HB2 GLU A 75 1.141 10.092 -10.705 1.00 23.41 H new ATOM 0 HB3 GLU A 75 2.195 11.491 -10.746 1.00 23.41 H new ATOM 0 HG2 GLU A 75 3.897 10.239 -9.438 1.00 31.32 H new ATOM 0 HG3 GLU A 75 2.844 8.839 -9.417 1.00 31.32 H new ATOM 1206 N ARG A 76 -0.772 11.819 -9.811 1.00 25.50 N ATOM 1207 CA ARG A 76 -1.907 12.716 -10.093 1.00 44.44 C ATOM 1208 C ARG A 76 -2.381 13.518 -8.873 1.00 45.21 C ATOM 1209 O ARG A 76 -2.817 14.659 -9.010 1.00 71.11 O ATOM 1210 CB ARG A 76 -3.084 11.921 -10.668 1.00 40.10 C ATOM 1211 CG ARG A 76 -3.491 10.719 -9.823 1.00 21.11 C ATOM 1212 CD ARG A 76 -4.861 10.199 -10.218 1.00 33.25 C ATOM 1213 NE ARG A 76 -5.922 11.142 -9.856 1.00 14.25 N ATOM 1214 CZ ARG A 76 -7.043 11.329 -10.559 1.00 44.14 C ATOM 1215 NH1 ARG A 76 -7.278 10.609 -11.652 1.00 32.20 N ATOM 1216 NH2 ARG A 76 -7.937 12.228 -10.157 1.00 14.34 N ATOM 0 H ARG A 76 -0.863 10.897 -10.238 1.00 25.50 H new ATOM 0 HA ARG A 76 -1.541 13.438 -10.822 1.00 44.44 H new ATOM 0 HB2 ARG A 76 -3.942 12.586 -10.773 1.00 40.10 H new ATOM 0 HB3 ARG A 76 -2.823 11.577 -11.669 1.00 40.10 H new ATOM 0 HG2 ARG A 76 -2.753 9.925 -9.938 1.00 21.11 H new ATOM 0 HG3 ARG A 76 -3.497 10.999 -8.770 1.00 21.11 H new ATOM 0 HD2 ARG A 76 -4.886 10.018 -11.293 1.00 33.25 H new ATOM 0 HD3 ARG A 76 -5.042 9.242 -9.729 1.00 33.25 H new ATOM 0 HE ARG A 76 -5.796 11.695 -9.008 1.00 14.25 H new ATOM 0 HH11 ARG A 76 -6.601 9.910 -11.958 1.00 32.20 H new ATOM 0 HH12 ARG A 76 -8.135 10.756 -12.185 1.00 32.20 H new ATOM 0 HH21 ARG A 76 -7.767 12.774 -9.313 1.00 14.34 H new ATOM 0 HH22 ARG A 76 -8.793 12.371 -10.693 1.00 14.34 H new ATOM 1230 N GLU A 77 -2.302 12.928 -7.700 1.00 40.35 N ATOM 1231 CA GLU A 77 -2.759 13.592 -6.495 1.00 72.31 C ATOM 1232 C GLU A 77 -1.740 14.612 -6.008 1.00 71.21 C ATOM 1233 O GLU A 77 -2.088 15.744 -5.689 1.00 24.54 O ATOM 1234 CB GLU A 77 -3.049 12.566 -5.407 1.00 62.34 C ATOM 1235 CG GLU A 77 -4.067 11.520 -5.822 1.00 44.14 C ATOM 1236 CD GLU A 77 -5.372 12.131 -6.272 1.00 45.44 C ATOM 1237 OE1 GLU A 77 -6.239 12.392 -5.411 1.00 12.33 O ATOM 1238 OE2 GLU A 77 -5.541 12.360 -7.487 1.00 10.54 O ATOM 0 H GLU A 77 -1.926 11.991 -7.553 1.00 40.35 H new ATOM 0 HA GLU A 77 -3.679 14.126 -6.730 1.00 72.31 H new ATOM 0 HB2 GLU A 77 -2.120 12.068 -5.130 1.00 62.34 H new ATOM 0 HB3 GLU A 77 -3.411 13.082 -4.518 1.00 62.34 H new ATOM 0 HG2 GLU A 77 -3.654 10.916 -6.630 1.00 44.14 H new ATOM 0 HG3 GLU A 77 -4.254 10.847 -4.985 1.00 44.14 H new ATOM 1245 N MET A 78 -0.484 14.216 -5.982 1.00 2.05 N ATOM 1246 CA MET A 78 0.584 15.085 -5.502 1.00 33.32 C ATOM 1247 C MET A 78 0.836 16.239 -6.478 1.00 42.12 C ATOM 1248 O MET A 78 1.092 17.368 -6.064 1.00 65.02 O ATOM 1249 CB MET A 78 1.868 14.262 -5.275 1.00 33.25 C ATOM 1250 CG MET A 78 3.041 15.042 -4.678 1.00 14.14 C ATOM 1251 SD MET A 78 3.944 16.027 -5.898 1.00 50.14 S ATOM 1252 CE MET A 78 5.238 16.726 -4.875 1.00 24.24 C ATOM 0 H MET A 78 -0.171 13.295 -6.288 1.00 2.05 H new ATOM 0 HA MET A 78 0.277 15.522 -4.552 1.00 33.32 H new ATOM 0 HB2 MET A 78 1.634 13.427 -4.615 1.00 33.25 H new ATOM 0 HB3 MET A 78 2.182 13.837 -6.228 1.00 33.25 H new ATOM 0 HG2 MET A 78 2.668 15.701 -3.894 1.00 14.14 H new ATOM 0 HG3 MET A 78 3.730 14.342 -4.205 1.00 14.14 H new ATOM 0 HE1 MET A 78 5.881 17.361 -5.485 1.00 24.24 H new ATOM 0 HE2 MET A 78 4.791 17.321 -4.079 1.00 24.24 H new ATOM 0 HE3 MET A 78 5.831 15.922 -4.438 1.00 24.24 H new ATOM 1262 N LYS A 79 0.742 15.945 -7.767 1.00 42.41 N ATOM 1263 CA LYS A 79 1.005 16.944 -8.807 1.00 43.02 C ATOM 1264 C LYS A 79 -0.007 18.101 -8.784 1.00 50.22 C ATOM 1265 O LYS A 79 0.278 19.183 -9.298 1.00 10.14 O ATOM 1266 CB LYS A 79 1.040 16.303 -10.202 1.00 45.24 C ATOM 1267 CG LYS A 79 -0.326 15.957 -10.773 1.00 44.11 C ATOM 1268 CD LYS A 79 -0.208 15.399 -12.182 1.00 22.25 C ATOM 1269 CE LYS A 79 -1.571 15.221 -12.829 1.00 74.11 C ATOM 1270 NZ LYS A 79 -1.473 14.627 -14.181 1.00 44.23 N ATOM 0 H LYS A 79 0.486 15.024 -8.123 1.00 42.41 H new ATOM 0 HA LYS A 79 1.987 17.361 -8.585 1.00 43.02 H new ATOM 0 HB2 LYS A 79 1.544 16.984 -10.888 1.00 45.24 H new ATOM 0 HB3 LYS A 79 1.641 15.395 -10.155 1.00 45.24 H new ATOM 0 HG2 LYS A 79 -0.817 15.227 -10.130 1.00 44.11 H new ATOM 0 HG3 LYS A 79 -0.955 16.847 -10.783 1.00 44.11 H new ATOM 0 HD2 LYS A 79 0.399 16.070 -12.790 1.00 22.25 H new ATOM 0 HD3 LYS A 79 0.309 14.440 -12.152 1.00 22.25 H new ATOM 0 HE2 LYS A 79 -2.191 14.584 -12.198 1.00 74.11 H new ATOM 0 HE3 LYS A 79 -2.070 16.188 -12.894 1.00 74.11 H new ATOM 0 HZ1 LYS A 79 -2.426 14.524 -14.585 1.00 44.23 H new ATOM 0 HZ2 LYS A 79 -0.903 15.247 -14.792 1.00 44.23 H new ATOM 0 HZ3 LYS A 79 -1.021 13.693 -14.118 1.00 44.23 H new ATOM 1284 N THR A 80 -1.176 17.876 -8.203 1.00 53.22 N ATOM 1285 CA THR A 80 -2.194 18.914 -8.167 1.00 21.43 C ATOM 1286 C THR A 80 -2.392 19.464 -6.749 1.00 3.34 C ATOM 1287 O THR A 80 -2.804 20.610 -6.574 1.00 23.44 O ATOM 1288 CB THR A 80 -3.549 18.409 -8.741 1.00 72.40 C ATOM 1289 OG1 THR A 80 -4.454 19.509 -8.936 1.00 24.42 O ATOM 1290 CG2 THR A 80 -4.196 17.385 -7.817 1.00 61.10 C ATOM 0 H THR A 80 -1.441 16.998 -7.756 1.00 53.22 H new ATOM 0 HA THR A 80 -1.836 19.725 -8.801 1.00 21.43 H new ATOM 0 HB THR A 80 -3.340 17.933 -9.699 1.00 72.40 H new ATOM 0 HG1 THR A 80 -5.301 19.175 -9.299 1.00 24.42 H new ATOM 0 HG21 THR A 80 -5.141 17.052 -8.247 1.00 61.10 H new ATOM 0 HG22 THR A 80 -3.530 16.530 -7.699 1.00 61.10 H new ATOM 0 HG23 THR A 80 -4.380 17.839 -6.843 1.00 61.10 H new ATOM 1298 N TYR A 81 -2.083 18.655 -5.746 1.00 71.33 N ATOM 1299 CA TYR A 81 -2.253 19.068 -4.365 1.00 34.22 C ATOM 1300 C TYR A 81 -1.130 19.989 -3.925 1.00 4.43 C ATOM 1301 O TYR A 81 0.027 19.581 -3.845 1.00 2.43 O ATOM 1302 CB TYR A 81 -2.333 17.853 -3.434 1.00 0.13 C ATOM 1303 CG TYR A 81 -2.384 18.216 -1.966 1.00 72.11 C ATOM 1304 CD1 TYR A 81 -3.511 18.808 -1.414 1.00 73.04 C ATOM 1305 CD2 TYR A 81 -1.299 17.978 -1.136 1.00 72.43 C ATOM 1306 CE1 TYR A 81 -3.555 19.150 -0.079 1.00 62.44 C ATOM 1307 CE2 TYR A 81 -1.336 18.316 0.197 1.00 25.11 C ATOM 1308 CZ TYR A 81 -2.464 18.900 0.723 1.00 45.31 C ATOM 1309 OH TYR A 81 -2.499 19.246 2.052 1.00 24.21 O ATOM 0 H TYR A 81 -1.714 17.711 -5.864 1.00 71.33 H new ATOM 0 HA TYR A 81 -3.193 19.617 -4.302 1.00 34.22 H new ATOM 0 HB2 TYR A 81 -3.219 17.270 -3.686 1.00 0.13 H new ATOM 0 HB3 TYR A 81 -1.469 17.213 -3.611 1.00 0.13 H new ATOM 0 HD1 TYR A 81 -4.368 19.004 -2.041 1.00 73.04 H new ATOM 0 HD2 TYR A 81 -0.410 17.520 -1.543 1.00 72.43 H new ATOM 0 HE1 TYR A 81 -4.440 19.611 0.335 1.00 62.44 H new ATOM 0 HE2 TYR A 81 -0.481 18.123 0.828 1.00 25.11 H new ATOM 0 HH TYR A 81 -1.584 19.329 2.393 1.00 24.21 H new ATOM 1319 N ILE A 82 -1.472 21.230 -3.645 1.00 4.45 N ATOM 1320 CA ILE A 82 -0.500 22.190 -3.167 1.00 33.32 C ATOM 1321 C ILE A 82 -0.566 22.259 -1.644 1.00 63.01 C ATOM 1322 O ILE A 82 -1.545 22.762 -1.077 1.00 55.05 O ATOM 1323 CB ILE A 82 -0.737 23.599 -3.767 1.00 24.22 C ATOM 1324 CG1 ILE A 82 -0.745 23.538 -5.305 1.00 34.42 C ATOM 1325 CG2 ILE A 82 0.326 24.578 -3.275 1.00 12.13 C ATOM 1326 CD1 ILE A 82 0.535 22.994 -5.913 1.00 0.50 C ATOM 0 H ILE A 82 -2.419 21.598 -3.741 1.00 4.45 H new ATOM 0 HA ILE A 82 0.488 21.858 -3.486 1.00 33.32 H new ATOM 0 HB ILE A 82 -1.712 23.954 -3.432 1.00 24.22 H new ATOM 0 HG12 ILE A 82 -1.580 22.917 -5.628 1.00 34.42 H new ATOM 0 HG13 ILE A 82 -0.923 24.540 -5.696 1.00 34.42 H new ATOM 0 HG21 ILE A 82 0.143 25.562 -3.707 1.00 12.13 H new ATOM 0 HG22 ILE A 82 0.283 24.646 -2.188 1.00 12.13 H new ATOM 0 HG23 ILE A 82 1.312 24.227 -3.578 1.00 12.13 H new ATOM 0 HD11 ILE A 82 0.446 22.984 -6.999 1.00 0.50 H new ATOM 0 HD12 ILE A 82 1.373 23.627 -5.623 1.00 0.50 H new ATOM 0 HD13 ILE A 82 0.706 21.979 -5.554 1.00 0.50 H new ATOM 1338 N PRO A 83 0.458 21.731 -0.965 1.00 63.20 N ATOM 1339 CA PRO A 83 0.506 21.684 0.495 1.00 4.01 C ATOM 1340 C PRO A 83 0.966 23.007 1.113 1.00 63.24 C ATOM 1341 O PRO A 83 1.432 23.908 0.400 1.00 3.43 O ATOM 1342 CB PRO A 83 1.540 20.589 0.754 1.00 44.32 C ATOM 1343 CG PRO A 83 2.486 20.693 -0.387 1.00 31.21 C ATOM 1344 CD PRO A 83 1.669 21.138 -1.573 1.00 63.43 C ATOM 0 HA PRO A 83 -0.473 21.498 0.936 1.00 4.01 H new ATOM 0 HB2 PRO A 83 2.048 20.740 1.706 1.00 44.32 H new ATOM 0 HB3 PRO A 83 1.074 19.605 0.795 1.00 44.32 H new ATOM 0 HG2 PRO A 83 3.279 21.408 -0.171 1.00 31.21 H new ATOM 0 HG3 PRO A 83 2.966 19.734 -0.583 1.00 31.21 H new ATOM 0 HD2 PRO A 83 2.209 21.865 -2.180 1.00 63.43 H new ATOM 0 HD3 PRO A 83 1.420 20.300 -2.224 1.00 63.43 H new ATOM 1352 N PRO A 84 0.818 23.153 2.448 1.00 71.44 N ATOM 1353 CA PRO A 84 1.276 24.342 3.167 1.00 53.05 C ATOM 1354 C PRO A 84 2.796 24.484 3.106 1.00 22.13 C ATOM 1355 O PRO A 84 3.511 23.532 2.776 1.00 22.24 O ATOM 1356 CB PRO A 84 0.820 24.093 4.614 1.00 60.12 C ATOM 1357 CG PRO A 84 0.635 22.620 4.707 1.00 22.21 C ATOM 1358 CD PRO A 84 0.172 22.182 3.351 1.00 41.45 C ATOM 0 HA PRO A 84 0.875 25.261 2.740 1.00 53.05 H new ATOM 0 HB2 PRO A 84 1.564 24.444 5.329 1.00 60.12 H new ATOM 0 HB3 PRO A 84 -0.107 24.623 4.833 1.00 60.12 H new ATOM 0 HG2 PRO A 84 1.567 22.125 4.981 1.00 22.21 H new ATOM 0 HG3 PRO A 84 -0.098 22.365 5.472 1.00 22.21 H new ATOM 0 HD2 PRO A 84 0.480 21.160 3.131 1.00 41.45 H new ATOM 0 HD3 PRO A 84 -0.914 22.213 3.266 1.00 41.45 H new ATOM 1366 N LYS A 85 3.287 25.659 3.443 1.00 34.31 N ATOM 1367 CA LYS A 85 4.717 25.931 3.392 1.00 61.30 C ATOM 1368 C LYS A 85 5.370 25.657 4.745 1.00 31.35 C ATOM 1369 O LYS A 85 6.465 26.140 5.024 1.00 3.35 O ATOM 1370 CB LYS A 85 4.990 27.387 2.957 1.00 62.43 C ATOM 1371 CG LYS A 85 4.574 27.728 1.517 1.00 22.33 C ATOM 1372 CD LYS A 85 3.057 27.853 1.354 1.00 45.31 C ATOM 1373 CE LYS A 85 2.485 29.015 2.167 1.00 74.35 C ATOM 1374 NZ LYS A 85 3.008 30.329 1.717 1.00 65.13 N ATOM 0 H LYS A 85 2.719 26.446 3.757 1.00 34.31 H new ATOM 0 HA LYS A 85 5.155 25.262 2.651 1.00 61.30 H new ATOM 0 HB2 LYS A 85 4.466 28.057 3.638 1.00 62.43 H new ATOM 0 HB3 LYS A 85 6.055 27.589 3.068 1.00 62.43 H new ATOM 0 HG2 LYS A 85 5.046 28.664 1.219 1.00 22.33 H new ATOM 0 HG3 LYS A 85 4.945 26.956 0.843 1.00 22.33 H new ATOM 0 HD2 LYS A 85 2.817 27.995 0.300 1.00 45.31 H new ATOM 0 HD3 LYS A 85 2.581 26.923 1.667 1.00 45.31 H new ATOM 0 HE2 LYS A 85 1.398 29.012 2.086 1.00 74.35 H new ATOM 0 HE3 LYS A 85 2.726 28.872 3.220 1.00 74.35 H new ATOM 0 HZ1 LYS A 85 2.460 31.092 2.163 1.00 65.13 H new ATOM 0 HZ2 LYS A 85 4.008 30.416 1.989 1.00 65.13 H new ATOM 0 HZ3 LYS A 85 2.923 30.401 0.683 1.00 65.13 H new ATOM 1388 N GLY A 86 4.699 24.872 5.572 1.00 25.20 N ATOM 1389 CA GLY A 86 5.229 24.555 6.881 1.00 65.45 C ATOM 1390 C GLY A 86 4.875 25.607 7.905 1.00 1.12 C ATOM 1391 O GLY A 86 5.660 25.891 8.812 1.00 54.01 O ATOM 0 H GLY A 86 3.796 24.448 5.360 1.00 25.20 H new ATOM 0 HA2 GLY A 86 4.841 23.589 7.205 1.00 65.45 H new ATOM 0 HA3 GLY A 86 6.313 24.459 6.820 1.00 65.45 H new ATOM 1395 N GLU A 87 3.693 26.189 7.754 1.00 42.22 N ATOM 1396 CA GLU A 87 3.215 27.217 8.660 1.00 1.41 C ATOM 1397 C GLU A 87 2.828 26.600 9.997 1.00 3.22 C ATOM 1398 O GLU A 87 3.658 26.623 10.929 1.00 0.00 O ATOM 1399 CB GLU A 87 2.012 27.935 8.049 1.00 31.50 C ATOM 1400 CG GLU A 87 1.471 29.074 8.898 1.00 13.14 C ATOM 1401 CD GLU A 87 0.138 29.571 8.400 1.00 5.32 C ATOM 1402 OE1 GLU A 87 -0.889 28.933 8.708 1.00 12.53 O ATOM 1403 OE2 GLU A 87 0.106 30.596 7.686 1.00 74.14 O ATOM 1404 OXT GLU A 87 1.705 26.077 10.108 1.00 0.00 O ATOM 0 H GLU A 87 3.043 25.961 7.002 1.00 42.22 H new ATOM 0 HA GLU A 87 4.014 27.940 8.824 1.00 1.41 H new ATOM 0 HB2 GLU A 87 2.294 28.327 7.072 1.00 31.50 H new ATOM 0 HB3 GLU A 87 1.215 27.210 7.883 1.00 31.50 H new ATOM 0 HG2 GLU A 87 1.370 28.739 9.930 1.00 13.14 H new ATOM 0 HG3 GLU A 87 2.186 29.896 8.898 1.00 13.14 H new TER 1411 GLU A 87