USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 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 21 MET CE :methyl -155:sc= -8.26! (180deg=-11.2!) USER MOD Set 1.2: A 47 MET CE :methyl -159:sc= -2.63! (180deg=-4.68!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.014) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.471 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -144:sc=-0.00125 (180deg=-0.784) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.0595 (180deg=-0.356) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.857 K(o=-0.86,f=-5!) USER MOD Single : A 29 THR OG1 : rot -20:sc= 0.252 USER MOD Single : A 31 MET CE :methyl -156:sc= -3.29 (180deg=-5.21!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.01 K(o=-2,f=-2.8!) USER MOD Single : A 46 ASN : amide:sc= -0.395 K(o=-0.4,f=-2) USER MOD Single : A 48 ASN : amide:sc= -2.04 K(o=-2,f=-1.3!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 53 MET CE :methyl -129:sc= 0 (180deg=-0.306) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= -0.0222 (180deg=-0.188) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 76 MET CE :methyl -170:sc= 0 (180deg=-0.111) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.003 11.792 19.577 1.00 0.00 N ATOM 2 CA GLY A 1 13.710 12.428 19.406 1.00 0.00 C ATOM 3 C GLY A 1 13.793 13.697 18.581 1.00 0.00 C ATOM 4 O GLY A 1 13.173 14.706 18.917 1.00 0.00 O ATOM 0 H1 GLY A 1 14.907 10.978 20.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.355 11.468 18.654 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.674 12.474 19.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.026 11.729 18.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.291 12.661 20.385 1.00 0.00 H new ATOM 8 N SER A 2 14.563 13.648 17.499 1.00 0.00 N ATOM 9 CA SER A 2 14.730 14.805 16.626 1.00 0.00 C ATOM 10 C SER A 2 14.776 14.379 15.162 1.00 0.00 C ATOM 11 O SER A 2 15.292 13.311 14.831 1.00 0.00 O ATOM 12 CB SER A 2 16.008 15.563 16.989 1.00 0.00 C ATOM 13 OG SER A 2 17.151 14.741 16.832 1.00 0.00 O ATOM 0 H SER A 2 15.081 12.820 17.205 1.00 0.00 H new ATOM 0 HA SER A 2 13.873 15.463 16.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.102 16.446 16.358 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.947 15.913 18.020 1.00 0.00 H new ATOM 0 HG SER A 2 17.955 15.250 17.069 1.00 0.00 H new ATOM 19 N SER A 3 14.231 15.221 14.290 1.00 0.00 N ATOM 20 CA SER A 3 14.206 14.931 12.861 1.00 0.00 C ATOM 21 C SER A 3 13.729 16.144 12.069 1.00 0.00 C ATOM 22 O SER A 3 12.677 16.714 12.357 1.00 0.00 O ATOM 23 CB SER A 3 13.296 13.734 12.578 1.00 0.00 C ATOM 24 OG SER A 3 11.930 14.090 12.703 1.00 0.00 O ATOM 0 H SER A 3 13.801 16.109 14.548 1.00 0.00 H new ATOM 0 HA SER A 3 15.221 14.689 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.486 13.358 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.529 12.925 13.270 1.00 0.00 H new ATOM 0 HG SER A 3 11.849 15.066 12.748 1.00 0.00 H new ATOM 30 N GLY A 4 14.512 16.535 11.068 1.00 0.00 N ATOM 31 CA GLY A 4 14.155 17.678 10.249 1.00 0.00 C ATOM 32 C GLY A 4 15.232 18.029 9.241 1.00 0.00 C ATOM 33 O GLY A 4 16.072 18.892 9.496 1.00 0.00 O ATOM 0 H GLY A 4 15.388 16.080 10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.224 17.467 9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.970 18.538 10.892 1.00 0.00 H new ATOM 37 N SER A 5 15.209 17.358 8.094 1.00 0.00 N ATOM 38 CA SER A 5 16.194 17.599 7.047 1.00 0.00 C ATOM 39 C SER A 5 15.545 18.250 5.830 1.00 0.00 C ATOM 40 O SER A 5 14.781 17.613 5.105 1.00 0.00 O ATOM 41 CB SER A 5 16.868 16.288 6.639 1.00 0.00 C ATOM 42 OG SER A 5 17.807 15.871 7.615 1.00 0.00 O ATOM 0 H SER A 5 14.518 16.643 7.866 1.00 0.00 H new ATOM 0 HA SER A 5 16.948 18.279 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.112 15.514 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.369 16.416 5.680 1.00 0.00 H new ATOM 0 HG SER A 5 18.222 15.030 7.331 1.00 0.00 H new ATOM 48 N SER A 6 15.855 19.525 5.613 1.00 0.00 N ATOM 49 CA SER A 6 15.299 20.265 4.486 1.00 0.00 C ATOM 50 C SER A 6 16.313 21.265 3.940 1.00 0.00 C ATOM 51 O SER A 6 17.351 21.512 4.553 1.00 0.00 O ATOM 52 CB SER A 6 14.022 20.995 4.908 1.00 0.00 C ATOM 53 OG SER A 6 14.248 21.795 6.055 1.00 0.00 O ATOM 0 H SER A 6 16.488 20.066 6.202 1.00 0.00 H new ATOM 0 HA SER A 6 15.058 19.552 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.669 21.621 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.236 20.269 5.116 1.00 0.00 H new ATOM 0 HG SER A 6 13.418 22.252 6.304 1.00 0.00 H new ATOM 59 N GLY A 7 16.004 21.839 2.781 1.00 0.00 N ATOM 60 CA GLY A 7 16.898 22.806 2.170 1.00 0.00 C ATOM 61 C GLY A 7 17.362 22.377 0.792 1.00 0.00 C ATOM 62 O GLY A 7 16.643 22.544 -0.192 1.00 0.00 O ATOM 0 H GLY A 7 15.151 21.652 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.392 23.768 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.766 22.951 2.813 1.00 0.00 H new ATOM 66 N GLY A 8 18.569 21.825 0.721 1.00 0.00 N ATOM 67 CA GLY A 8 19.108 21.381 -0.551 1.00 0.00 C ATOM 68 C GLY A 8 19.654 19.969 -0.489 1.00 0.00 C ATOM 69 O GLY A 8 20.421 19.632 0.413 1.00 0.00 O ATOM 0 H GLY A 8 19.183 21.677 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 8 18.328 21.432 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 8 19.901 22.060 -0.863 1.00 0.00 H new ATOM 73 N MET A 9 19.257 19.140 -1.449 1.00 0.00 N ATOM 74 CA MET A 9 19.713 17.755 -1.498 1.00 0.00 C ATOM 75 C MET A 9 21.231 17.686 -1.623 1.00 0.00 C ATOM 76 O MET A 9 21.818 18.275 -2.531 1.00 0.00 O ATOM 77 CB MET A 9 19.059 17.023 -2.672 1.00 0.00 C ATOM 78 CG MET A 9 19.616 17.429 -4.027 1.00 0.00 C ATOM 79 SD MET A 9 18.691 16.714 -5.400 1.00 0.00 S ATOM 80 CE MET A 9 19.705 17.216 -6.789 1.00 0.00 C ATOM 0 H MET A 9 18.622 19.402 -2.202 1.00 0.00 H new ATOM 0 HA MET A 9 19.421 17.269 -0.567 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.193 15.949 -2.540 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.986 17.215 -2.657 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.601 18.516 -4.111 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.658 17.118 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 9 19.262 16.848 -7.715 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.763 18.304 -6.822 1.00 0.00 H new ATOM 0 HE3 MET A 9 20.707 16.802 -6.676 1.00 0.00 H new ATOM 90 N LYS A 10 21.864 16.964 -0.704 1.00 0.00 N ATOM 91 CA LYS A 10 23.314 16.817 -0.711 1.00 0.00 C ATOM 92 C LYS A 10 23.783 16.101 -1.974 1.00 0.00 C ATOM 93 O LYS A 10 23.577 14.897 -2.131 1.00 0.00 O ATOM 94 CB LYS A 10 23.775 16.044 0.527 1.00 0.00 C ATOM 95 CG LYS A 10 23.458 16.746 1.836 1.00 0.00 C ATOM 96 CD LYS A 10 23.582 15.802 3.020 1.00 0.00 C ATOM 97 CE LYS A 10 25.038 15.546 3.379 1.00 0.00 C ATOM 98 NZ LYS A 10 25.599 14.389 2.629 1.00 0.00 N ATOM 0 H LYS A 10 21.394 16.471 0.056 1.00 0.00 H new ATOM 0 HA LYS A 10 23.755 17.814 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.303 15.061 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.851 15.881 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.135 17.590 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 10 22.447 17.151 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.063 16.225 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.092 14.857 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.627 16.438 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.121 15.359 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.261 13.868 3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 24.826 13.757 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.102 14.733 1.786 1.00 0.00 H new ATOM 112 N THR A 11 24.415 16.849 -2.872 1.00 0.00 N ATOM 113 CA THR A 11 24.913 16.286 -4.121 1.00 0.00 C ATOM 114 C THR A 11 25.686 14.996 -3.873 1.00 0.00 C ATOM 115 O THR A 11 25.689 14.092 -4.709 1.00 0.00 O ATOM 116 CB THR A 11 25.825 17.282 -4.862 1.00 0.00 C ATOM 117 OG1 THR A 11 26.350 16.676 -6.048 1.00 0.00 O ATOM 118 CG2 THR A 11 26.969 17.737 -3.969 1.00 0.00 C ATOM 0 H THR A 11 24.594 17.847 -2.758 1.00 0.00 H new ATOM 0 HA THR A 11 24.042 16.072 -4.740 1.00 0.00 H new ATOM 0 HB THR A 11 25.229 18.154 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 11 26.927 17.316 -6.514 1.00 0.00 H new ATOM 0 HG21 THR A 11 27.599 18.440 -4.514 1.00 0.00 H new ATOM 0 HG22 THR A 11 26.566 18.225 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 11 27.563 16.873 -3.670 1.00 0.00 H new ATOM 126 N SER A 12 26.340 14.916 -2.718 1.00 0.00 N ATOM 127 CA SER A 12 27.119 13.736 -2.361 1.00 0.00 C ATOM 128 C SER A 12 26.411 12.923 -1.282 1.00 0.00 C ATOM 129 O SER A 12 25.613 13.456 -0.511 1.00 0.00 O ATOM 130 CB SER A 12 28.511 14.145 -1.877 1.00 0.00 C ATOM 131 OG SER A 12 29.444 13.094 -2.057 1.00 0.00 O ATOM 0 H SER A 12 26.346 15.654 -2.014 1.00 0.00 H new ATOM 0 HA SER A 12 27.220 13.115 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.844 15.028 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.467 14.419 -0.823 1.00 0.00 H new ATOM 0 HG SER A 12 30.326 13.382 -1.741 1.00 0.00 H new ATOM 137 N GLY A 13 26.709 11.628 -1.233 1.00 0.00 N ATOM 138 CA GLY A 13 26.093 10.762 -0.245 1.00 0.00 C ATOM 139 C GLY A 13 25.851 9.362 -0.772 1.00 0.00 C ATOM 140 O GLY A 13 25.359 9.186 -1.887 1.00 0.00 O ATOM 0 H GLY A 13 27.366 11.163 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.732 10.710 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.145 11.196 0.074 1.00 0.00 H new ATOM 144 N LYS A 14 26.198 8.361 0.030 1.00 0.00 N ATOM 145 CA LYS A 14 26.016 6.968 -0.361 1.00 0.00 C ATOM 146 C LYS A 14 24.535 6.622 -0.471 1.00 0.00 C ATOM 147 O LYS A 14 23.710 7.148 0.276 1.00 0.00 O ATOM 148 CB LYS A 14 26.694 6.040 0.650 1.00 0.00 C ATOM 149 CG LYS A 14 26.013 6.018 2.007 1.00 0.00 C ATOM 150 CD LYS A 14 26.971 5.591 3.105 1.00 0.00 C ATOM 151 CE LYS A 14 26.548 6.140 4.459 1.00 0.00 C ATOM 152 NZ LYS A 14 26.696 7.620 4.528 1.00 0.00 N ATOM 0 H LYS A 14 26.607 8.489 0.956 1.00 0.00 H new ATOM 0 HA LYS A 14 26.477 6.829 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 14 26.713 5.028 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.731 6.351 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 25.618 7.008 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 14 25.164 5.335 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 14 27.013 4.503 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 14 27.976 5.939 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 14 25.510 5.869 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 14 27.149 5.678 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.765 7.916 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 27.557 7.907 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 25.869 8.072 4.089 1.00 0.00 H new ATOM 166 N GLN A 15 24.206 5.735 -1.405 1.00 0.00 N ATOM 167 CA GLN A 15 22.824 5.320 -1.610 1.00 0.00 C ATOM 168 C GLN A 15 22.333 4.467 -0.445 1.00 0.00 C ATOM 169 O GLN A 15 22.860 3.383 -0.191 1.00 0.00 O ATOM 170 CB GLN A 15 22.692 4.540 -2.919 1.00 0.00 C ATOM 171 CG GLN A 15 22.849 5.404 -4.160 1.00 0.00 C ATOM 172 CD GLN A 15 21.564 6.110 -4.546 1.00 0.00 C ATOM 173 OE1 GLN A 15 21.103 7.010 -3.845 1.00 0.00 O ATOM 174 NE2 GLN A 15 20.979 5.704 -5.667 1.00 0.00 N ATOM 0 H GLN A 15 24.878 5.291 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 15 22.207 6.217 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.443 3.750 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.717 4.054 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.628 6.146 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.181 4.782 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.397 4.954 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.112 6.142 -5.978 1.00 0.00 H new ATOM 183 N ASP A 16 21.322 4.962 0.260 1.00 0.00 N ATOM 184 CA ASP A 16 20.760 4.245 1.399 1.00 0.00 C ATOM 185 C ASP A 16 19.463 3.541 1.011 1.00 0.00 C ATOM 186 O ASP A 16 18.939 3.746 -0.084 1.00 0.00 O ATOM 187 CB ASP A 16 20.504 5.208 2.559 1.00 0.00 C ATOM 188 CG ASP A 16 20.245 4.483 3.866 1.00 0.00 C ATOM 189 OD1 ASP A 16 21.222 4.021 4.491 1.00 0.00 O ATOM 190 OD2 ASP A 16 19.065 4.378 4.262 1.00 0.00 O ATOM 0 H ASP A 16 20.875 5.857 0.063 1.00 0.00 H new ATOM 0 HA ASP A 16 21.482 3.492 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 16 21.364 5.867 2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.648 5.840 2.321 1.00 0.00 H new ATOM 195 N GLU A 17 18.952 2.711 1.915 1.00 0.00 N ATOM 196 CA GLU A 17 17.718 1.976 1.665 1.00 0.00 C ATOM 197 C GLU A 17 16.508 2.760 2.165 1.00 0.00 C ATOM 198 O GLU A 17 15.432 2.709 1.569 1.00 0.00 O ATOM 199 CB GLU A 17 17.768 0.606 2.344 1.00 0.00 C ATOM 200 CG GLU A 17 18.617 -0.411 1.599 1.00 0.00 C ATOM 201 CD GLU A 17 18.060 -0.743 0.228 1.00 0.00 C ATOM 202 OE1 GLU A 17 16.836 -0.965 0.124 1.00 0.00 O ATOM 203 OE2 GLU A 17 18.848 -0.782 -0.739 1.00 0.00 O ATOM 0 H GLU A 17 19.373 2.531 2.826 1.00 0.00 H new ATOM 0 HA GLU A 17 17.620 1.836 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.160 0.724 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.753 0.220 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.630 -0.024 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.686 -1.324 2.190 1.00 0.00 H new ATOM 210 N ALA A 18 16.691 3.483 3.265 1.00 0.00 N ATOM 211 CA ALA A 18 15.616 4.278 3.845 1.00 0.00 C ATOM 212 C ALA A 18 14.957 5.162 2.791 1.00 0.00 C ATOM 213 O ALA A 18 13.738 5.138 2.623 1.00 0.00 O ATOM 214 CB ALA A 18 16.146 5.126 4.991 1.00 0.00 C ATOM 0 H ALA A 18 17.574 3.534 3.772 1.00 0.00 H new ATOM 0 HA ALA A 18 14.860 3.595 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.332 5.715 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.564 4.477 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.922 5.795 4.620 1.00 0.00 H new ATOM 220 N TRP A 19 15.770 5.940 2.086 1.00 0.00 N ATOM 221 CA TRP A 19 15.264 6.832 1.049 1.00 0.00 C ATOM 222 C TRP A 19 14.573 6.043 -0.058 1.00 0.00 C ATOM 223 O TRP A 19 13.585 6.501 -0.634 1.00 0.00 O ATOM 224 CB TRP A 19 16.406 7.664 0.462 1.00 0.00 C ATOM 225 CG TRP A 19 17.209 6.928 -0.567 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.459 6.401 -0.408 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.818 6.640 -1.914 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.869 5.803 -1.575 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.880 5.935 -2.514 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.674 6.907 -2.671 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.830 5.497 -3.834 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.626 6.472 -3.981 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.698 5.772 -4.552 1.00 0.00 C ATOM 0 H TRP A 19 16.782 5.971 2.213 1.00 0.00 H new ATOM 0 HA TRP A 19 14.533 7.500 1.504 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.994 8.568 0.013 1.00 0.00 H new ATOM 0 HB3 TRP A 19 17.066 7.982 1.269 1.00 0.00 H new ATOM 0 HD1 TRP A 19 19.040 6.448 0.501 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.765 5.336 -1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.842 7.444 -2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.656 4.959 -4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.748 6.675 -4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.629 5.443 -5.578 1.00 0.00 H new ATOM 244 N ILE A 20 15.097 4.858 -0.350 1.00 0.00 N ATOM 245 CA ILE A 20 14.528 4.006 -1.387 1.00 0.00 C ATOM 246 C ILE A 20 13.108 3.578 -1.029 1.00 0.00 C ATOM 247 O ILE A 20 12.198 3.662 -1.853 1.00 0.00 O ATOM 248 CB ILE A 20 15.388 2.750 -1.618 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.768 3.141 -2.152 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.691 1.801 -2.582 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.723 1.974 -2.271 1.00 0.00 C ATOM 0 H ILE A 20 15.915 4.466 0.117 1.00 0.00 H new ATOM 0 HA ILE A 20 14.507 4.595 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 20 15.520 2.238 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.651 3.606 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.204 3.891 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.311 0.918 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.729 1.501 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.533 2.303 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.681 2.325 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.870 1.522 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.308 1.232 -2.954 1.00 0.00 H new ATOM 263 N MET A 21 12.928 3.119 0.205 1.00 0.00 N ATOM 264 CA MET A 21 11.618 2.681 0.673 1.00 0.00 C ATOM 265 C MET A 21 10.511 3.543 0.076 1.00 0.00 C ATOM 266 O MET A 21 9.474 3.033 -0.349 1.00 0.00 O ATOM 267 CB MET A 21 11.555 2.733 2.201 1.00 0.00 C ATOM 268 CG MET A 21 10.163 2.489 2.760 1.00 0.00 C ATOM 269 SD MET A 21 9.841 0.744 3.085 1.00 0.00 S ATOM 270 CE MET A 21 10.085 0.046 1.454 1.00 0.00 C ATOM 0 H MET A 21 13.672 3.041 0.898 1.00 0.00 H new ATOM 0 HA MET A 21 11.468 1.652 0.346 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.238 1.988 2.610 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.907 3.708 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.042 3.055 3.684 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.422 2.866 2.056 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.520 -0.882 1.367 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.739 0.753 0.700 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.145 -0.158 1.300 1.00 0.00 H new ATOM 280 N SER A 22 10.737 4.853 0.048 1.00 0.00 N ATOM 281 CA SER A 22 9.756 5.787 -0.492 1.00 0.00 C ATOM 282 C SER A 22 9.408 5.433 -1.935 1.00 0.00 C ATOM 283 O SER A 22 8.235 5.341 -2.297 1.00 0.00 O ATOM 284 CB SER A 22 10.290 7.219 -0.421 1.00 0.00 C ATOM 285 OG SER A 22 10.579 7.588 0.916 1.00 0.00 O ATOM 0 H SER A 22 11.591 5.291 0.393 1.00 0.00 H new ATOM 0 HA SER A 22 8.851 5.715 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.191 7.305 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.555 7.906 -0.841 1.00 0.00 H new ATOM 0 HG SER A 22 10.920 8.506 0.935 1.00 0.00 H new ATOM 291 N ARG A 23 10.436 5.238 -2.754 1.00 0.00 N ATOM 292 CA ARG A 23 10.240 4.896 -4.158 1.00 0.00 C ATOM 293 C ARG A 23 9.082 3.916 -4.322 1.00 0.00 C ATOM 294 O ARG A 23 8.122 4.188 -5.044 1.00 0.00 O ATOM 295 CB ARG A 23 11.519 4.294 -4.742 1.00 0.00 C ATOM 296 CG ARG A 23 12.592 5.325 -5.050 1.00 0.00 C ATOM 297 CD ARG A 23 13.513 4.855 -6.165 1.00 0.00 C ATOM 298 NE ARG A 23 13.011 5.231 -7.484 1.00 0.00 N ATOM 299 CZ ARG A 23 13.761 5.240 -8.580 1.00 0.00 C ATOM 300 NH1 ARG A 23 15.039 4.893 -8.516 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.232 5.595 -9.744 1.00 0.00 N ATOM 0 H ARG A 23 11.413 5.311 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 23 9.998 5.811 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.920 3.563 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.272 3.755 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.122 6.266 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.177 5.522 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.505 5.282 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.621 3.772 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 23 12.031 5.501 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.449 4.618 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.612 4.901 -9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.249 5.861 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.809 5.602 -10.585 1.00 0.00 H new ATOM 315 N LEU A 24 9.180 2.775 -3.649 1.00 0.00 N ATOM 316 CA LEU A 24 8.141 1.753 -3.720 1.00 0.00 C ATOM 317 C LEU A 24 6.792 2.316 -3.285 1.00 0.00 C ATOM 318 O LEU A 24 5.757 1.997 -3.870 1.00 0.00 O ATOM 319 CB LEU A 24 8.514 0.557 -2.843 1.00 0.00 C ATOM 320 CG LEU A 24 9.893 -0.054 -3.092 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.273 -0.995 -1.959 1.00 0.00 C ATOM 322 CD2 LEU A 24 9.919 -0.786 -4.427 1.00 0.00 C ATOM 0 H LEU A 24 9.968 2.534 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 24 8.059 1.425 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.459 0.866 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.763 -0.220 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 24 10.625 0.753 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.258 -1.420 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.296 -0.443 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.538 -1.797 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.908 -1.215 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.175 -1.583 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.692 -0.085 -5.231 1.00 0.00 H new ATOM 334 N ILE A 25 6.812 3.158 -2.257 1.00 0.00 N ATOM 335 CA ILE A 25 5.591 3.768 -1.746 1.00 0.00 C ATOM 336 C ILE A 25 4.915 4.622 -2.813 1.00 0.00 C ATOM 337 O ILE A 25 3.750 4.408 -3.149 1.00 0.00 O ATOM 338 CB ILE A 25 5.873 4.641 -0.509 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.651 3.843 0.540 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.571 5.167 0.077 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.764 3.054 1.478 1.00 0.00 C ATOM 0 H ILE A 25 7.660 3.433 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 25 4.926 2.952 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 25 6.481 5.492 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.331 3.158 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.266 4.528 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.787 5.782 0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.052 5.768 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.939 4.329 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.382 2.513 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.102 3.736 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.168 2.344 0.904 1.00 0.00 H new ATOM 353 N LYS A 26 5.654 5.589 -3.345 1.00 0.00 N ATOM 354 CA LYS A 26 5.129 6.475 -4.377 1.00 0.00 C ATOM 355 C LYS A 26 4.181 5.724 -5.307 1.00 0.00 C ATOM 356 O LYS A 26 3.008 6.075 -5.427 1.00 0.00 O ATOM 357 CB LYS A 26 6.275 7.086 -5.185 1.00 0.00 C ATOM 358 CG LYS A 26 5.840 8.221 -6.097 1.00 0.00 C ATOM 359 CD LYS A 26 5.381 7.704 -7.450 1.00 0.00 C ATOM 360 CE LYS A 26 5.193 8.839 -8.445 1.00 0.00 C ATOM 361 NZ LYS A 26 6.485 9.267 -9.049 1.00 0.00 N ATOM 0 H LYS A 26 6.620 5.779 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 26 4.573 7.274 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.036 7.455 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.740 6.305 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.030 8.778 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.668 8.917 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.113 6.996 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.443 7.161 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.511 8.521 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.728 9.688 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.314 10.042 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.127 9.594 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.917 8.464 -9.549 1.00 0.00 H new ATOM 375 N GLN A 27 4.698 4.689 -5.962 1.00 0.00 N ATOM 376 CA GLN A 27 3.897 3.889 -6.880 1.00 0.00 C ATOM 377 C GLN A 27 2.505 3.637 -6.310 1.00 0.00 C ATOM 378 O GLN A 27 1.504 3.742 -7.021 1.00 0.00 O ATOM 379 CB GLN A 27 4.591 2.557 -7.168 1.00 0.00 C ATOM 380 CG GLN A 27 5.858 2.697 -7.998 1.00 0.00 C ATOM 381 CD GLN A 27 5.570 3.010 -9.453 1.00 0.00 C ATOM 382 OE1 GLN A 27 4.573 3.657 -9.776 1.00 0.00 O ATOM 383 NE2 GLN A 27 6.445 2.553 -10.341 1.00 0.00 N ATOM 0 H GLN A 27 5.668 4.385 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 27 3.793 4.446 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.838 2.074 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.895 1.900 -7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.479 3.487 -7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.433 1.773 -7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.258 2.021 -10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.305 2.734 -11.335 1.00 0.00 H new ATOM 392 N LEU A 28 2.448 3.305 -5.026 1.00 0.00 N ATOM 393 CA LEU A 28 1.178 3.038 -4.360 1.00 0.00 C ATOM 394 C LEU A 28 0.415 4.333 -4.103 1.00 0.00 C ATOM 395 O LEU A 28 -0.757 4.458 -4.460 1.00 0.00 O ATOM 396 CB LEU A 28 1.416 2.302 -3.040 1.00 0.00 C ATOM 397 CG LEU A 28 1.463 0.776 -3.121 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.455 0.328 -4.183 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.822 0.181 -1.767 1.00 0.00 C ATOM 0 H LEU A 28 3.267 3.214 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 28 0.577 2.408 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.357 2.652 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.628 2.585 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 28 0.474 0.415 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.475 -0.761 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.154 0.724 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.449 0.699 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.851 -0.906 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.800 0.549 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.073 0.473 -1.031 1.00 0.00 H new ATOM 411 N THR A 29 1.088 5.298 -3.482 1.00 0.00 N ATOM 412 CA THR A 29 0.475 6.584 -3.179 1.00 0.00 C ATOM 413 C THR A 29 -0.169 7.193 -4.419 1.00 0.00 C ATOM 414 O THR A 29 -1.058 8.039 -4.317 1.00 0.00 O ATOM 415 CB THR A 29 1.505 7.577 -2.609 1.00 0.00 C ATOM 416 OG1 THR A 29 2.452 7.936 -3.622 1.00 0.00 O ATOM 417 CG2 THR A 29 2.234 6.976 -1.416 1.00 0.00 C ATOM 0 H THR A 29 2.058 5.212 -3.179 1.00 0.00 H new ATOM 0 HA THR A 29 -0.293 6.398 -2.429 1.00 0.00 H new ATOM 0 HB THR A 29 0.972 8.468 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.441 7.262 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.956 7.696 -1.031 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.514 6.731 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.755 6.070 -1.726 1.00 0.00 H new ATOM 425 N ASP A 30 0.284 6.757 -5.589 1.00 0.00 N ATOM 426 CA ASP A 30 -0.250 7.258 -6.850 1.00 0.00 C ATOM 427 C ASP A 30 -1.506 6.491 -7.252 1.00 0.00 C ATOM 428 O ASP A 30 -2.354 7.008 -7.979 1.00 0.00 O ATOM 429 CB ASP A 30 0.803 7.150 -7.954 1.00 0.00 C ATOM 430 CG ASP A 30 0.497 8.046 -9.137 1.00 0.00 C ATOM 431 OD1 ASP A 30 0.205 9.241 -8.918 1.00 0.00 O ATOM 432 OD2 ASP A 30 0.549 7.553 -10.283 1.00 0.00 O ATOM 0 H ASP A 30 1.020 6.058 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.515 8.306 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.780 7.412 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.865 6.116 -8.292 1.00 0.00 H new ATOM 437 N MET A 31 -1.617 5.256 -6.774 1.00 0.00 N ATOM 438 CA MET A 31 -2.770 4.418 -7.084 1.00 0.00 C ATOM 439 C MET A 31 -4.003 4.886 -6.318 1.00 0.00 C ATOM 440 O MET A 31 -4.952 5.404 -6.906 1.00 0.00 O ATOM 441 CB MET A 31 -2.470 2.956 -6.747 1.00 0.00 C ATOM 442 CG MET A 31 -1.618 2.254 -7.792 1.00 0.00 C ATOM 443 SD MET A 31 -1.505 0.476 -7.515 1.00 0.00 S ATOM 444 CE MET A 31 -0.101 0.395 -6.406 1.00 0.00 C ATOM 0 H MET A 31 -0.923 4.813 -6.171 1.00 0.00 H new ATOM 0 HA MET A 31 -2.973 4.503 -8.152 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.960 2.911 -5.785 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.411 2.417 -6.635 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.038 2.438 -8.781 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.616 2.683 -7.786 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.360 -0.591 -6.473 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.628 1.156 -6.685 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.435 0.570 -5.383 1.00 0.00 H new ATOM 454 N GLY A 32 -3.983 4.700 -5.002 1.00 0.00 N ATOM 455 CA GLY A 32 -5.106 5.108 -4.177 1.00 0.00 C ATOM 456 C GLY A 32 -4.971 4.640 -2.742 1.00 0.00 C ATOM 457 O GLY A 32 -5.970 4.391 -2.066 1.00 0.00 O ATOM 0 H GLY A 32 -3.209 4.274 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.190 6.195 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.028 4.710 -4.601 1.00 0.00 H new ATOM 461 N PHE A 33 -3.733 4.520 -2.274 1.00 0.00 N ATOM 462 CA PHE A 33 -3.471 4.077 -0.910 1.00 0.00 C ATOM 463 C PHE A 33 -2.471 5.000 -0.220 1.00 0.00 C ATOM 464 O PHE A 33 -1.556 5.541 -0.842 1.00 0.00 O ATOM 465 CB PHE A 33 -2.941 2.641 -0.910 1.00 0.00 C ATOM 466 CG PHE A 33 -3.628 1.749 -1.904 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.981 1.474 -1.788 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.921 1.186 -2.954 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.615 0.652 -2.701 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.550 0.364 -3.870 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.899 0.097 -3.744 1.00 0.00 C ATOM 0 H PHE A 33 -2.895 4.723 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.410 4.111 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.873 2.656 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.059 2.219 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.546 1.906 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.866 1.392 -3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.670 0.444 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.987 -0.069 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.393 -0.544 -4.459 1.00 0.00 H new ATOM 481 N PRO A 34 -2.648 5.186 1.096 1.00 0.00 N ATOM 482 CA PRO A 34 -1.772 6.044 1.900 1.00 0.00 C ATOM 483 C PRO A 34 -0.378 5.449 2.072 1.00 0.00 C ATOM 484 O PRO A 34 -0.097 4.353 1.587 1.00 0.00 O ATOM 485 CB PRO A 34 -2.490 6.121 3.249 1.00 0.00 C ATOM 486 CG PRO A 34 -3.304 4.875 3.316 1.00 0.00 C ATOM 487 CD PRO A 34 -3.717 4.573 1.902 1.00 0.00 C ATOM 0 HA PRO A 34 -1.612 7.015 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.779 6.174 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.119 7.009 3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.725 4.053 3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.175 5.012 3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.789 3.500 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.692 5.001 1.668 1.00 0.00 H new ATOM 495 N ARG A 35 0.490 6.179 2.764 1.00 0.00 N ATOM 496 CA ARG A 35 1.855 5.723 2.999 1.00 0.00 C ATOM 497 C ARG A 35 1.942 4.907 4.286 1.00 0.00 C ATOM 498 O ARG A 35 2.824 4.063 4.437 1.00 0.00 O ATOM 499 CB ARG A 35 2.808 6.918 3.075 1.00 0.00 C ATOM 500 CG ARG A 35 2.295 8.052 3.947 1.00 0.00 C ATOM 501 CD ARG A 35 1.492 9.058 3.136 1.00 0.00 C ATOM 502 NE ARG A 35 0.452 9.700 3.936 1.00 0.00 N ATOM 503 CZ ARG A 35 -0.572 10.365 3.413 1.00 0.00 C ATOM 504 NH1 ARG A 35 -0.693 10.474 2.097 1.00 0.00 N ATOM 505 NH2 ARG A 35 -1.478 10.922 4.206 1.00 0.00 N ATOM 0 H ARG A 35 0.273 7.088 3.172 1.00 0.00 H new ATOM 0 HA ARG A 35 2.147 5.086 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.770 6.581 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.984 7.296 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.673 7.646 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.136 8.555 4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.162 9.818 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.035 8.555 2.284 1.00 0.00 H new ATOM 0 HE ARG A 35 0.516 9.634 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.001 10.047 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.480 10.985 1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.389 10.840 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.264 11.432 3.803 1.00 0.00 H new ATOM 519 N GLU A 36 1.021 5.167 5.209 1.00 0.00 N ATOM 520 CA GLU A 36 0.995 4.457 6.482 1.00 0.00 C ATOM 521 C GLU A 36 1.149 2.954 6.270 1.00 0.00 C ATOM 522 O GLU A 36 2.132 2.340 6.686 1.00 0.00 O ATOM 523 CB GLU A 36 -0.310 4.747 7.227 1.00 0.00 C ATOM 524 CG GLU A 36 -0.192 5.866 8.248 1.00 0.00 C ATOM 525 CD GLU A 36 -1.260 5.791 9.321 1.00 0.00 C ATOM 526 OE1 GLU A 36 -1.055 5.056 10.311 1.00 0.00 O ATOM 527 OE2 GLU A 36 -2.301 6.465 9.173 1.00 0.00 O ATOM 0 H GLU A 36 0.284 5.863 5.099 1.00 0.00 H new ATOM 0 HA GLU A 36 1.834 4.810 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.082 5.007 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.640 3.839 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.792 5.824 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.261 6.827 7.738 1.00 0.00 H new ATOM 534 N PRO A 37 0.155 2.345 5.607 1.00 0.00 N ATOM 535 CA PRO A 37 0.156 0.907 5.325 1.00 0.00 C ATOM 536 C PRO A 37 1.211 0.519 4.294 1.00 0.00 C ATOM 537 O PRO A 37 2.003 -0.396 4.518 1.00 0.00 O ATOM 538 CB PRO A 37 -1.249 0.652 4.773 1.00 0.00 C ATOM 539 CG PRO A 37 -1.678 1.964 4.211 1.00 0.00 C ATOM 540 CD PRO A 37 -1.047 3.014 5.082 1.00 0.00 C ATOM 0 HA PRO A 37 0.394 0.319 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.239 -0.123 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.928 0.316 5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.354 2.070 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.764 2.054 4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.793 3.908 4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.716 3.326 5.884 1.00 0.00 H new ATOM 548 N ALA A 38 1.216 1.222 3.166 1.00 0.00 N ATOM 549 CA ALA A 38 2.176 0.952 2.103 1.00 0.00 C ATOM 550 C ALA A 38 3.588 0.813 2.661 1.00 0.00 C ATOM 551 O ALA A 38 4.443 0.168 2.055 1.00 0.00 O ATOM 552 CB ALA A 38 2.126 2.055 1.056 1.00 0.00 C ATOM 0 H ALA A 38 0.566 1.982 2.965 1.00 0.00 H new ATOM 0 HA ALA A 38 1.905 0.007 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.848 1.841 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.125 2.105 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.369 3.010 1.522 1.00 0.00 H new ATOM 558 N GLU A 39 3.826 1.423 3.818 1.00 0.00 N ATOM 559 CA GLU A 39 5.136 1.367 4.455 1.00 0.00 C ATOM 560 C GLU A 39 5.254 0.135 5.349 1.00 0.00 C ATOM 561 O GLU A 39 6.154 -0.686 5.174 1.00 0.00 O ATOM 562 CB GLU A 39 5.382 2.633 5.278 1.00 0.00 C ATOM 563 CG GLU A 39 6.711 2.632 6.014 1.00 0.00 C ATOM 564 CD GLU A 39 6.979 3.939 6.736 1.00 0.00 C ATOM 565 OE1 GLU A 39 7.508 4.872 6.095 1.00 0.00 O ATOM 566 OE2 GLU A 39 6.661 4.029 7.940 1.00 0.00 O ATOM 0 H GLU A 39 3.129 1.961 4.333 1.00 0.00 H new ATOM 0 HA GLU A 39 5.890 1.300 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.343 3.499 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.575 2.748 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.722 1.814 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.515 2.442 5.303 1.00 0.00 H new ATOM 573 N GLU A 40 4.340 0.016 6.306 1.00 0.00 N ATOM 574 CA GLU A 40 4.342 -1.114 7.228 1.00 0.00 C ATOM 575 C GLU A 40 4.360 -2.437 6.467 1.00 0.00 C ATOM 576 O GLU A 40 5.050 -3.379 6.854 1.00 0.00 O ATOM 577 CB GLU A 40 3.118 -1.057 8.144 1.00 0.00 C ATOM 578 CG GLU A 40 1.882 -1.710 7.550 1.00 0.00 C ATOM 579 CD GLU A 40 0.677 -1.618 8.466 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.686 -0.764 9.376 1.00 0.00 O ATOM 581 OE2 GLU A 40 -0.276 -2.402 8.272 1.00 0.00 O ATOM 0 H GLU A 40 3.589 0.688 6.463 1.00 0.00 H new ATOM 0 HA GLU A 40 5.244 -1.051 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.358 -1.546 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.894 -0.015 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.647 -1.235 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.095 -2.758 7.340 1.00 0.00 H new ATOM 588 N ALA A 41 3.595 -2.499 5.382 1.00 0.00 N ATOM 589 CA ALA A 41 3.523 -3.704 4.566 1.00 0.00 C ATOM 590 C ALA A 41 4.892 -4.068 4.003 1.00 0.00 C ATOM 591 O ALA A 41 5.507 -5.050 4.423 1.00 0.00 O ATOM 592 CB ALA A 41 2.519 -3.518 3.438 1.00 0.00 C ATOM 0 H ALA A 41 3.016 -1.728 5.048 1.00 0.00 H new ATOM 0 HA ALA A 41 3.191 -4.525 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.475 -4.426 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.534 -3.313 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.827 -2.682 2.811 1.00 0.00 H new ATOM 598 N LEU A 42 5.365 -3.273 3.049 1.00 0.00 N ATOM 599 CA LEU A 42 6.663 -3.512 2.428 1.00 0.00 C ATOM 600 C LEU A 42 7.655 -4.078 3.439 1.00 0.00 C ATOM 601 O LEU A 42 8.320 -5.081 3.179 1.00 0.00 O ATOM 602 CB LEU A 42 7.211 -2.215 1.829 1.00 0.00 C ATOM 603 CG LEU A 42 6.404 -1.615 0.677 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.828 -0.177 0.422 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.568 -2.453 -0.582 1.00 0.00 C ATOM 0 H LEU A 42 4.869 -2.458 2.689 1.00 0.00 H new ATOM 0 HA LEU A 42 6.527 -4.244 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.280 -1.472 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.226 -2.401 1.477 1.00 0.00 H new ATOM 0 HG LEU A 42 5.350 -1.618 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.243 0.234 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.658 0.417 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.887 -0.150 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.987 -2.011 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.620 -2.482 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.215 -3.467 -0.393 1.00 0.00 H new ATOM 617 N LYS A 43 7.749 -3.429 4.594 1.00 0.00 N ATOM 618 CA LYS A 43 8.657 -3.868 5.647 1.00 0.00 C ATOM 619 C LYS A 43 8.594 -5.381 5.824 1.00 0.00 C ATOM 620 O LYS A 43 9.625 -6.052 5.886 1.00 0.00 O ATOM 621 CB LYS A 43 8.313 -3.174 6.968 1.00 0.00 C ATOM 622 CG LYS A 43 8.813 -1.743 7.052 1.00 0.00 C ATOM 623 CD LYS A 43 9.100 -1.336 8.487 1.00 0.00 C ATOM 624 CE LYS A 43 9.998 -0.110 8.550 1.00 0.00 C ATOM 625 NZ LYS A 43 9.316 1.105 8.024 1.00 0.00 N ATOM 0 H LYS A 43 7.207 -2.596 4.825 1.00 0.00 H new ATOM 0 HA LYS A 43 9.671 -3.596 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.231 -3.180 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.739 -3.747 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.719 -1.638 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.069 -1.071 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.162 -1.128 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.575 -2.164 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.304 0.063 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.905 -0.295 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.961 1.919 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.046 0.950 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.464 1.296 8.588 1.00 0.00 H new ATOM 639 N SER A 44 7.379 -5.913 5.903 1.00 0.00 N ATOM 640 CA SER A 44 7.182 -7.348 6.075 1.00 0.00 C ATOM 641 C SER A 44 7.104 -8.051 4.723 1.00 0.00 C ATOM 642 O SER A 44 7.327 -9.257 4.625 1.00 0.00 O ATOM 643 CB SER A 44 5.907 -7.617 6.877 1.00 0.00 C ATOM 644 OG SER A 44 5.905 -8.931 7.406 1.00 0.00 O ATOM 0 H SER A 44 6.516 -5.372 5.851 1.00 0.00 H new ATOM 0 HA SER A 44 8.037 -7.744 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.825 -6.895 7.689 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.035 -7.478 6.238 1.00 0.00 H new ATOM 0 HG SER A 44 5.081 -9.077 7.915 1.00 0.00 H new ATOM 650 N ASN A 45 6.786 -7.287 3.683 1.00 0.00 N ATOM 651 CA ASN A 45 6.677 -7.836 2.337 1.00 0.00 C ATOM 652 C ASN A 45 8.016 -7.760 1.609 1.00 0.00 C ATOM 653 O ASN A 45 8.063 -7.680 0.382 1.00 0.00 O ATOM 654 CB ASN A 45 5.608 -7.084 1.541 1.00 0.00 C ATOM 655 CG ASN A 45 4.207 -7.581 1.843 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.789 -8.629 1.351 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.475 -6.828 2.655 1.00 0.00 N ATOM 0 H ASN A 45 6.599 -6.286 3.747 1.00 0.00 H new ATOM 0 HA ASN A 45 6.387 -8.883 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.670 -6.020 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.808 -7.194 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.525 -7.111 2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.863 -5.967 3.040 1.00 0.00 H new ATOM 664 N ASN A 46 9.102 -7.787 2.375 1.00 0.00 N ATOM 665 CA ASN A 46 10.442 -7.721 1.803 1.00 0.00 C ATOM 666 C ASN A 46 10.506 -6.684 0.685 1.00 0.00 C ATOM 667 O ASN A 46 11.058 -6.944 -0.384 1.00 0.00 O ATOM 668 CB ASN A 46 10.859 -9.092 1.267 1.00 0.00 C ATOM 669 CG ASN A 46 10.675 -10.194 2.293 1.00 0.00 C ATOM 670 OD1 ASN A 46 9.561 -10.451 2.750 1.00 0.00 O ATOM 671 ND2 ASN A 46 11.769 -10.850 2.659 1.00 0.00 N ATOM 0 H ASN A 46 9.080 -7.854 3.393 1.00 0.00 H new ATOM 0 HA ASN A 46 11.132 -7.422 2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.273 -9.325 0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.904 -9.056 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.707 -11.602 3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.672 -10.603 2.254 1.00 0.00 H new ATOM 678 N MET A 47 9.939 -5.510 0.940 1.00 0.00 N ATOM 679 CA MET A 47 9.933 -4.434 -0.044 1.00 0.00 C ATOM 680 C MET A 47 9.426 -4.934 -1.393 1.00 0.00 C ATOM 681 O MET A 47 10.089 -4.768 -2.416 1.00 0.00 O ATOM 682 CB MET A 47 11.338 -3.848 -0.199 1.00 0.00 C ATOM 683 CG MET A 47 11.767 -2.980 0.972 1.00 0.00 C ATOM 684 SD MET A 47 11.534 -3.795 2.564 1.00 0.00 S ATOM 685 CE MET A 47 10.943 -2.429 3.561 1.00 0.00 C ATOM 0 H MET A 47 9.478 -5.279 1.820 1.00 0.00 H new ATOM 0 HA MET A 47 9.259 -3.654 0.311 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.052 -4.663 -0.317 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.377 -3.256 -1.113 1.00 0.00 H new ATOM 0 HG2 MET A 47 12.817 -2.713 0.855 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.198 -2.050 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.105 -2.652 4.616 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.486 -1.522 3.294 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.878 -2.281 3.380 1.00 0.00 H new ATOM 695 N ASN A 48 8.247 -5.548 -1.387 1.00 0.00 N ATOM 696 CA ASN A 48 7.652 -6.073 -2.611 1.00 0.00 C ATOM 697 C ASN A 48 6.393 -5.295 -2.980 1.00 0.00 C ATOM 698 O ASN A 48 5.530 -5.051 -2.135 1.00 0.00 O ATOM 699 CB ASN A 48 7.319 -7.557 -2.444 1.00 0.00 C ATOM 700 CG ASN A 48 8.550 -8.439 -2.531 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.181 -8.744 -1.519 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.896 -8.853 -3.744 1.00 0.00 N ATOM 0 H ASN A 48 7.685 -5.694 -0.548 1.00 0.00 H new ATOM 0 HA ASN A 48 8.377 -5.959 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.832 -7.711 -1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.606 -7.855 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.715 -9.449 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.343 -8.575 -4.555 1.00 0.00 H new ATOM 709 N LEU A 49 6.293 -4.910 -4.247 1.00 0.00 N ATOM 710 CA LEU A 49 5.138 -4.161 -4.730 1.00 0.00 C ATOM 711 C LEU A 49 3.931 -5.076 -4.909 1.00 0.00 C ATOM 712 O LEU A 49 2.904 -4.902 -4.252 1.00 0.00 O ATOM 713 CB LEU A 49 5.470 -3.471 -6.055 1.00 0.00 C ATOM 714 CG LEU A 49 4.733 -2.161 -6.333 1.00 0.00 C ATOM 715 CD1 LEU A 49 5.005 -1.151 -5.228 1.00 0.00 C ATOM 716 CD2 LEU A 49 5.140 -1.596 -7.686 1.00 0.00 C ATOM 0 H LEU A 49 6.997 -5.104 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 49 4.890 -3.405 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.542 -3.274 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.254 -4.165 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 49 3.663 -2.366 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.472 -0.225 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.663 -1.554 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.075 -0.950 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.605 -0.664 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.213 -1.406 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.893 -2.313 -8.469 1.00 0.00 H new ATOM 728 N ASP A 50 4.062 -6.052 -5.801 1.00 0.00 N ATOM 729 CA ASP A 50 2.983 -6.997 -6.064 1.00 0.00 C ATOM 730 C ASP A 50 2.446 -7.585 -4.763 1.00 0.00 C ATOM 731 O ASP A 50 1.235 -7.680 -4.568 1.00 0.00 O ATOM 732 CB ASP A 50 3.472 -8.119 -6.981 1.00 0.00 C ATOM 733 CG ASP A 50 3.499 -7.705 -8.439 1.00 0.00 C ATOM 734 OD1 ASP A 50 2.437 -7.309 -8.963 1.00 0.00 O ATOM 735 OD2 ASP A 50 4.583 -7.777 -9.057 1.00 0.00 O ATOM 0 H ASP A 50 4.905 -6.209 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 50 2.175 -6.459 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.472 -8.425 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.824 -8.988 -6.865 1.00 0.00 H new ATOM 740 N GLN A 51 3.356 -7.978 -3.877 1.00 0.00 N ATOM 741 CA GLN A 51 2.972 -8.557 -2.595 1.00 0.00 C ATOM 742 C GLN A 51 2.236 -7.536 -1.734 1.00 0.00 C ATOM 743 O GLN A 51 1.148 -7.807 -1.227 1.00 0.00 O ATOM 744 CB GLN A 51 4.208 -9.071 -1.854 1.00 0.00 C ATOM 745 CG GLN A 51 4.798 -10.335 -2.458 1.00 0.00 C ATOM 746 CD GLN A 51 4.189 -11.597 -1.880 1.00 0.00 C ATOM 747 OE1 GLN A 51 3.054 -11.953 -2.197 1.00 0.00 O ATOM 748 NE2 GLN A 51 4.943 -12.282 -1.028 1.00 0.00 N ATOM 0 H GLN A 51 4.363 -7.906 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 51 2.299 -9.392 -2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.969 -8.291 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.944 -9.264 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.645 -10.323 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.875 -10.345 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.878 -11.950 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.587 -13.140 -0.608 1.00 0.00 H new ATOM 757 N ALA A 52 2.837 -6.362 -1.573 1.00 0.00 N ATOM 758 CA ALA A 52 2.237 -5.300 -0.775 1.00 0.00 C ATOM 759 C ALA A 52 0.820 -4.994 -1.245 1.00 0.00 C ATOM 760 O ALA A 52 -0.131 -5.065 -0.467 1.00 0.00 O ATOM 761 CB ALA A 52 3.097 -4.046 -0.833 1.00 0.00 C ATOM 0 H ALA A 52 3.739 -6.122 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 52 2.183 -5.642 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.637 -3.261 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.090 -4.267 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.181 -3.710 -1.866 1.00 0.00 H new ATOM 767 N MET A 53 0.686 -4.651 -2.522 1.00 0.00 N ATOM 768 CA MET A 53 -0.617 -4.334 -3.096 1.00 0.00 C ATOM 769 C MET A 53 -1.667 -5.348 -2.653 1.00 0.00 C ATOM 770 O MET A 53 -2.714 -4.980 -2.120 1.00 0.00 O ATOM 771 CB MET A 53 -0.532 -4.305 -4.623 1.00 0.00 C ATOM 772 CG MET A 53 0.066 -3.020 -5.173 1.00 0.00 C ATOM 773 SD MET A 53 0.685 -3.208 -6.857 1.00 0.00 S ATOM 774 CE MET A 53 -0.850 -3.249 -7.779 1.00 0.00 C ATOM 0 H MET A 53 1.463 -4.585 -3.179 1.00 0.00 H new ATOM 0 HA MET A 53 -0.914 -3.349 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.068 -5.150 -4.962 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.531 -4.438 -5.037 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.689 -2.234 -5.153 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.880 -2.696 -4.525 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.856 -4.117 -8.438 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.689 -3.314 -7.086 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.941 -2.341 -8.375 1.00 0.00 H new ATOM 784 N SER A 54 -1.380 -6.627 -2.877 1.00 0.00 N ATOM 785 CA SER A 54 -2.302 -7.693 -2.504 1.00 0.00 C ATOM 786 C SER A 54 -2.589 -7.665 -1.006 1.00 0.00 C ATOM 787 O SER A 54 -3.703 -7.953 -0.570 1.00 0.00 O ATOM 788 CB SER A 54 -1.727 -9.055 -2.899 1.00 0.00 C ATOM 789 OG SER A 54 -2.443 -10.110 -2.282 1.00 0.00 O ATOM 0 H SER A 54 -0.517 -6.949 -3.315 1.00 0.00 H new ATOM 0 HA SER A 54 -3.238 -7.533 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.767 -9.169 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.677 -9.107 -2.611 1.00 0.00 H new ATOM 0 HG SER A 54 -2.057 -10.969 -2.552 1.00 0.00 H new ATOM 795 N ALA A 55 -1.574 -7.316 -0.222 1.00 0.00 N ATOM 796 CA ALA A 55 -1.716 -7.248 1.227 1.00 0.00 C ATOM 797 C ALA A 55 -2.711 -6.166 1.631 1.00 0.00 C ATOM 798 O ALA A 55 -3.462 -6.327 2.594 1.00 0.00 O ATOM 799 CB ALA A 55 -0.364 -6.995 1.878 1.00 0.00 C ATOM 0 H ALA A 55 -0.644 -7.076 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.101 -8.206 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.485 -6.946 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.319 -7.806 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.043 -6.051 1.516 1.00 0.00 H new ATOM 805 N LEU A 56 -2.711 -5.063 0.890 1.00 0.00 N ATOM 806 CA LEU A 56 -3.614 -3.952 1.172 1.00 0.00 C ATOM 807 C LEU A 56 -4.995 -4.209 0.577 1.00 0.00 C ATOM 808 O LEU A 56 -6.015 -3.894 1.190 1.00 0.00 O ATOM 809 CB LEU A 56 -3.040 -2.649 0.614 1.00 0.00 C ATOM 810 CG LEU A 56 -1.569 -2.374 0.928 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.978 -1.407 -0.086 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.418 -1.828 2.340 1.00 0.00 C ATOM 0 H LEU A 56 -2.096 -4.914 0.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.715 -3.863 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.165 -2.655 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.634 -1.820 0.999 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.022 -3.314 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.069 -1.223 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.052 -1.837 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.528 -0.466 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.365 -1.638 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.979 -0.898 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.802 -2.556 3.055 1.00 0.00 H new ATOM 824 N LEU A 57 -5.020 -4.784 -0.620 1.00 0.00 N ATOM 825 CA LEU A 57 -6.276 -5.086 -1.298 1.00 0.00 C ATOM 826 C LEU A 57 -7.076 -6.128 -0.523 1.00 0.00 C ATOM 827 O LEU A 57 -8.272 -5.958 -0.291 1.00 0.00 O ATOM 828 CB LEU A 57 -6.004 -5.587 -2.718 1.00 0.00 C ATOM 829 CG LEU A 57 -5.874 -4.511 -3.796 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.948 -4.978 -4.908 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.242 -4.149 -4.356 1.00 0.00 C ATOM 0 H LEU A 57 -4.185 -5.051 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.863 -4.169 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.085 -6.173 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.809 -6.264 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.442 -3.620 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.868 -4.199 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.961 -5.186 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.351 -5.884 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.130 -3.382 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.702 -5.035 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.875 -3.771 -3.553 1.00 0.00 H new ATOM 843 N GLU A 58 -6.406 -7.205 -0.125 1.00 0.00 N ATOM 844 CA GLU A 58 -7.055 -8.273 0.626 1.00 0.00 C ATOM 845 C GLU A 58 -8.035 -7.703 1.647 1.00 0.00 C ATOM 846 O GLU A 58 -9.209 -8.075 1.674 1.00 0.00 O ATOM 847 CB GLU A 58 -6.010 -9.138 1.333 1.00 0.00 C ATOM 848 CG GLU A 58 -5.501 -10.293 0.486 1.00 0.00 C ATOM 849 CD GLU A 58 -6.618 -11.192 -0.005 1.00 0.00 C ATOM 850 OE1 GLU A 58 -7.231 -10.865 -1.043 1.00 0.00 O ATOM 851 OE2 GLU A 58 -6.880 -12.224 0.648 1.00 0.00 O ATOM 0 H GLU A 58 -5.415 -7.361 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.611 -8.891 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.166 -8.511 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.441 -9.535 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.955 -9.898 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.795 -10.883 1.070 1.00 0.00 H new ATOM 858 N LYS A 59 -7.545 -6.798 2.487 1.00 0.00 N ATOM 859 CA LYS A 59 -8.375 -6.174 3.510 1.00 0.00 C ATOM 860 C LYS A 59 -9.776 -5.892 2.977 1.00 0.00 C ATOM 861 O LYS A 59 -10.774 -6.216 3.622 1.00 0.00 O ATOM 862 CB LYS A 59 -7.732 -4.873 3.996 1.00 0.00 C ATOM 863 CG LYS A 59 -6.405 -5.079 4.706 1.00 0.00 C ATOM 864 CD LYS A 59 -6.059 -3.896 5.595 1.00 0.00 C ATOM 865 CE LYS A 59 -4.555 -3.740 5.754 1.00 0.00 C ATOM 866 NZ LYS A 59 -4.203 -2.979 6.985 1.00 0.00 N ATOM 0 H LYS A 59 -6.576 -6.480 2.479 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.456 -6.867 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.579 -4.212 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.421 -4.367 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.450 -5.987 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.615 -5.225 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.477 -2.984 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.518 -4.029 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.090 -4.725 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.149 -3.228 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.169 -2.894 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.626 -2.030 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.568 -3.481 7.820 1.00 0.00 H new ATOM 880 N LYS A 60 -9.845 -5.289 1.795 1.00 0.00 N ATOM 881 CA LYS A 60 -11.123 -4.966 1.173 1.00 0.00 C ATOM 882 C LYS A 60 -11.366 -5.838 -0.055 1.00 0.00 C ATOM 883 O LYS A 60 -10.709 -5.677 -1.083 1.00 0.00 O ATOM 884 CB LYS A 60 -11.163 -3.488 0.778 1.00 0.00 C ATOM 885 CG LYS A 60 -12.567 -2.957 0.549 1.00 0.00 C ATOM 886 CD LYS A 60 -12.630 -1.450 0.732 1.00 0.00 C ATOM 887 CE LYS A 60 -14.066 -0.947 0.721 1.00 0.00 C ATOM 888 NZ LYS A 60 -14.752 -1.199 2.018 1.00 0.00 N ATOM 0 H LYS A 60 -9.029 -5.014 1.248 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.912 -5.163 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.684 -2.899 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.578 -3.348 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.895 -3.216 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.256 -3.438 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.155 -1.177 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.066 -0.962 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.075 0.122 0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.616 -1.437 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.728 -0.842 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.766 -2.221 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.242 -0.710 2.781 1.00 0.00 H new ATOM 902 N VAL A 61 -12.316 -6.762 0.060 1.00 0.00 N ATOM 903 CA VAL A 61 -12.647 -7.657 -1.042 1.00 0.00 C ATOM 904 C VAL A 61 -13.584 -6.981 -2.037 1.00 0.00 C ATOM 905 O VAL A 61 -14.723 -6.651 -1.707 1.00 0.00 O ATOM 906 CB VAL A 61 -13.306 -8.953 -0.533 1.00 0.00 C ATOM 907 CG1 VAL A 61 -13.691 -9.850 -1.700 1.00 0.00 C ATOM 908 CG2 VAL A 61 -12.377 -9.681 0.426 1.00 0.00 C ATOM 0 H VAL A 61 -12.869 -6.910 0.904 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.710 -7.905 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.215 -8.690 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.155 -10.761 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.395 -9.325 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.799 -10.108 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.858 -10.594 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.449 -9.934 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.157 -9.038 1.278 1.00 0.00 H new ATOM 918 N ASP A 62 -13.096 -6.778 -3.256 1.00 0.00 N ATOM 919 CA ASP A 62 -13.890 -6.142 -4.301 1.00 0.00 C ATOM 920 C ASP A 62 -14.044 -7.066 -5.505 1.00 0.00 C ATOM 921 O ASP A 62 -13.494 -8.167 -5.529 1.00 0.00 O ATOM 922 CB ASP A 62 -13.242 -4.825 -4.733 1.00 0.00 C ATOM 923 CG ASP A 62 -12.956 -3.908 -3.560 1.00 0.00 C ATOM 924 OD1 ASP A 62 -13.915 -3.317 -3.021 1.00 0.00 O ATOM 925 OD2 ASP A 62 -11.773 -3.783 -3.180 1.00 0.00 O ATOM 0 H ASP A 62 -12.155 -7.045 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.880 -5.935 -3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.312 -5.037 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.898 -4.315 -5.438 1.00 0.00 H new ATOM 930 N VAL A 63 -14.797 -6.611 -6.501 1.00 0.00 N ATOM 931 CA VAL A 63 -15.024 -7.397 -7.708 1.00 0.00 C ATOM 932 C VAL A 63 -14.121 -6.932 -8.845 1.00 0.00 C ATOM 933 O VAL A 63 -13.320 -7.704 -9.371 1.00 0.00 O ATOM 934 CB VAL A 63 -16.493 -7.312 -8.165 1.00 0.00 C ATOM 935 CG1 VAL A 63 -16.698 -8.096 -9.452 1.00 0.00 C ATOM 936 CG2 VAL A 63 -17.421 -7.814 -7.071 1.00 0.00 C ATOM 0 H VAL A 63 -15.260 -5.702 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.788 -8.432 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.734 -6.267 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.741 -8.024 -9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.060 -7.684 -10.234 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.440 -9.142 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.454 -7.747 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.182 -8.852 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.293 -7.204 -6.177 1.00 0.00 H new ATOM 946 N ASP A 64 -14.256 -5.664 -9.219 1.00 0.00 N ATOM 947 CA ASP A 64 -13.451 -5.094 -10.293 1.00 0.00 C ATOM 948 C ASP A 64 -12.152 -4.510 -9.747 1.00 0.00 C ATOM 949 O ASP A 64 -11.990 -4.351 -8.537 1.00 0.00 O ATOM 950 CB ASP A 64 -14.240 -4.012 -11.031 1.00 0.00 C ATOM 951 CG ASP A 64 -15.273 -4.592 -11.978 1.00 0.00 C ATOM 952 OD1 ASP A 64 -15.938 -5.579 -11.598 1.00 0.00 O ATOM 953 OD2 ASP A 64 -15.417 -4.059 -13.097 1.00 0.00 O ATOM 0 H ASP A 64 -14.915 -5.012 -8.794 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.204 -5.893 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.738 -3.370 -10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.550 -3.382 -11.592 1.00 0.00 H new ATOM 958 N LYS A 65 -11.227 -4.194 -10.647 1.00 0.00 N ATOM 959 CA LYS A 65 -9.941 -3.627 -10.258 1.00 0.00 C ATOM 960 C LYS A 65 -9.273 -2.932 -11.439 1.00 0.00 C ATOM 961 O LYS A 65 -9.651 -3.144 -12.591 1.00 0.00 O ATOM 962 CB LYS A 65 -9.023 -4.723 -9.710 1.00 0.00 C ATOM 963 CG LYS A 65 -8.723 -5.823 -10.714 1.00 0.00 C ATOM 964 CD LYS A 65 -7.492 -5.501 -11.543 1.00 0.00 C ATOM 965 CE LYS A 65 -7.238 -6.563 -12.601 1.00 0.00 C ATOM 966 NZ LYS A 65 -8.317 -6.593 -13.627 1.00 0.00 N ATOM 0 H LYS A 65 -11.344 -4.321 -11.652 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.119 -2.887 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.085 -4.272 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.485 -5.165 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.572 -6.766 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.581 -5.959 -11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.619 -4.531 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.623 -5.422 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.281 -6.371 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.163 -7.540 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.008 -7.164 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.175 -7.012 -13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.522 -5.624 -13.943 1.00 0.00 H new ATOM 980 N ARG A 66 -8.276 -2.103 -11.145 1.00 0.00 N ATOM 981 CA ARG A 66 -7.555 -1.378 -12.184 1.00 0.00 C ATOM 982 C ARG A 66 -6.089 -1.801 -12.225 1.00 0.00 C ATOM 983 O ARG A 66 -5.574 -2.188 -13.273 1.00 0.00 O ATOM 984 CB ARG A 66 -7.654 0.130 -11.945 1.00 0.00 C ATOM 985 CG ARG A 66 -9.003 0.719 -12.323 1.00 0.00 C ATOM 986 CD ARG A 66 -9.047 1.115 -13.791 1.00 0.00 C ATOM 987 NE ARG A 66 -8.336 2.365 -14.042 1.00 0.00 N ATOM 988 CZ ARG A 66 -8.496 3.094 -15.141 1.00 0.00 C ATOM 989 NH1 ARG A 66 -9.337 2.698 -16.086 1.00 0.00 N ATOM 990 NH2 ARG A 66 -7.813 4.221 -15.297 1.00 0.00 N ATOM 0 H ARG A 66 -7.950 -1.917 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.012 -1.619 -13.144 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.459 0.336 -10.893 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.874 0.632 -12.518 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.789 -0.008 -12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.206 1.592 -11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.607 0.321 -14.394 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.085 1.218 -14.108 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.680 2.697 -13.335 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.863 1.832 -15.970 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.458 3.259 -16.929 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.164 4.529 -14.573 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.937 4.780 -16.141 1.00 0.00 H new ATOM 1004 N GLY A 67 -5.424 -1.724 -11.077 1.00 0.00 N ATOM 1005 CA GLY A 67 -4.024 -2.102 -11.004 1.00 0.00 C ATOM 1006 C GLY A 67 -3.154 -1.286 -11.938 1.00 0.00 C ATOM 1007 O GLY A 67 -3.617 -0.816 -12.979 1.00 0.00 O ATOM 0 H GLY A 67 -5.829 -1.407 -10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.670 -1.977 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.923 -3.159 -11.249 1.00 0.00 H new ATOM 1011 N LEU A 68 -1.890 -1.114 -11.567 1.00 0.00 N ATOM 1012 CA LEU A 68 -0.952 -0.346 -12.379 1.00 0.00 C ATOM 1013 C LEU A 68 -1.024 -0.770 -13.843 1.00 0.00 C ATOM 1014 O LEU A 68 -1.672 -1.760 -14.181 1.00 0.00 O ATOM 1015 CB LEU A 68 0.473 -0.526 -11.854 1.00 0.00 C ATOM 1016 CG LEU A 68 0.737 -0.011 -10.439 1.00 0.00 C ATOM 1017 CD1 LEU A 68 2.017 -0.615 -9.881 1.00 0.00 C ATOM 1018 CD2 LEU A 68 0.814 1.508 -10.429 1.00 0.00 C ATOM 0 H LEU A 68 -1.491 -1.496 -10.709 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.228 0.706 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.719 -1.588 -11.884 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.157 -0.021 -12.536 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.093 -0.317 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.189 -0.237 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.924 -1.701 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.857 -0.341 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.002 1.856 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.624 1.836 -11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.129 1.922 -10.786 1.00 0.00 H new ATOM 1030 N GLY A 69 -0.352 -0.016 -14.707 1.00 0.00 N ATOM 1031 CA GLY A 69 -0.351 -0.331 -16.123 1.00 0.00 C ATOM 1032 C GLY A 69 0.376 0.711 -16.949 1.00 0.00 C ATOM 1033 O GLY A 69 -0.224 1.371 -17.797 1.00 0.00 O ATOM 0 H GLY A 69 0.192 0.808 -14.451 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.118 -1.303 -16.275 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.380 -0.415 -16.474 1.00 0.00 H new ATOM 1037 N VAL A 70 1.673 0.862 -16.699 1.00 0.00 N ATOM 1038 CA VAL A 70 2.484 1.832 -17.425 1.00 0.00 C ATOM 1039 C VAL A 70 3.856 1.260 -17.763 1.00 0.00 C ATOM 1040 O VAL A 70 4.436 0.505 -16.981 1.00 0.00 O ATOM 1041 CB VAL A 70 2.666 3.130 -16.615 1.00 0.00 C ATOM 1042 CG1 VAL A 70 3.004 2.812 -15.167 1.00 0.00 C ATOM 1043 CG2 VAL A 70 3.743 4.002 -17.243 1.00 0.00 C ATOM 0 H VAL A 70 2.185 0.325 -15.999 1.00 0.00 H new ATOM 0 HA VAL A 70 1.952 2.060 -18.349 1.00 0.00 H new ATOM 0 HB VAL A 70 1.727 3.683 -16.631 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.129 3.741 -14.610 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.196 2.229 -14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.930 2.238 -15.127 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.859 4.915 -16.659 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.688 3.459 -17.259 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.455 4.258 -18.263 1.00 0.00 H new ATOM 1053 N THR A 71 4.372 1.623 -18.933 1.00 0.00 N ATOM 1054 CA THR A 71 5.675 1.145 -19.375 1.00 0.00 C ATOM 1055 C THR A 71 6.798 2.003 -18.802 1.00 0.00 C ATOM 1056 O THR A 71 6.836 3.215 -19.015 1.00 0.00 O ATOM 1057 CB THR A 71 5.781 1.141 -20.912 1.00 0.00 C ATOM 1058 OG1 THR A 71 4.644 0.479 -21.479 1.00 0.00 O ATOM 1059 CG2 THR A 71 7.056 0.446 -21.365 1.00 0.00 C ATOM 0 H THR A 71 3.906 2.247 -19.592 1.00 0.00 H new ATOM 0 HA THR A 71 5.778 0.124 -19.009 1.00 0.00 H new ATOM 0 HB THR A 71 5.808 2.175 -21.255 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.717 0.482 -22.456 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.109 0.456 -22.454 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.920 0.968 -20.955 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.054 -0.585 -21.011 1.00 0.00 H new ATOM 1067 N ASP A 72 7.711 1.366 -18.077 1.00 0.00 N ATOM 1068 CA ASP A 72 8.837 2.071 -17.475 1.00 0.00 C ATOM 1069 C ASP A 72 10.083 1.191 -17.458 1.00 0.00 C ATOM 1070 O ASP A 72 10.011 0.002 -17.148 1.00 0.00 O ATOM 1071 CB ASP A 72 8.489 2.511 -16.052 1.00 0.00 C ATOM 1072 CG ASP A 72 7.153 3.223 -15.977 1.00 0.00 C ATOM 1073 OD1 ASP A 72 6.973 4.224 -16.701 1.00 0.00 O ATOM 1074 OD2 ASP A 72 6.287 2.780 -15.193 1.00 0.00 O ATOM 0 H ASP A 72 7.694 0.363 -17.892 1.00 0.00 H new ATOM 0 HA ASP A 72 9.046 2.954 -18.079 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.469 1.638 -15.399 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.271 3.172 -15.677 1.00 0.00 H new ATOM 1079 N HIS A 73 11.224 1.784 -17.795 1.00 0.00 N ATOM 1080 CA HIS A 73 12.486 1.053 -17.819 1.00 0.00 C ATOM 1081 C HIS A 73 13.596 1.864 -17.156 1.00 0.00 C ATOM 1082 O HIS A 73 13.887 2.987 -17.565 1.00 0.00 O ATOM 1083 CB HIS A 73 12.877 0.715 -19.258 1.00 0.00 C ATOM 1084 CG HIS A 73 13.764 -0.486 -19.372 1.00 0.00 C ATOM 1085 ND1 HIS A 73 15.133 -0.400 -19.515 1.00 0.00 N ATOM 1086 CD2 HIS A 73 13.471 -1.808 -19.360 1.00 0.00 C ATOM 1087 CE1 HIS A 73 15.643 -1.616 -19.589 1.00 0.00 C ATOM 1088 NE2 HIS A 73 14.656 -2.489 -19.497 1.00 0.00 N ATOM 0 H HIS A 73 11.301 2.767 -18.055 1.00 0.00 H new ATOM 0 HA HIS A 73 12.352 0.127 -17.260 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.972 0.544 -19.841 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.383 1.573 -19.699 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.489 -2.245 -19.261 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.690 -1.856 -19.705 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.757 -3.504 -19.523 1.00 0.00 H new ATOM 1097 N ASN A 74 14.211 1.286 -16.129 1.00 0.00 N ATOM 1098 CA ASN A 74 15.287 1.956 -15.408 1.00 0.00 C ATOM 1099 C ASN A 74 16.293 0.943 -14.869 1.00 0.00 C ATOM 1100 O ASN A 74 16.109 -0.265 -15.009 1.00 0.00 O ATOM 1101 CB ASN A 74 14.718 2.788 -14.257 1.00 0.00 C ATOM 1102 CG ASN A 74 15.658 3.897 -13.825 1.00 0.00 C ATOM 1103 OD1 ASN A 74 16.082 4.718 -14.637 1.00 0.00 O ATOM 1104 ND2 ASN A 74 15.989 3.924 -12.539 1.00 0.00 N ATOM 0 H ASN A 74 13.983 0.356 -15.778 1.00 0.00 H new ATOM 0 HA ASN A 74 15.801 2.617 -16.105 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.765 3.221 -14.562 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.515 2.136 -13.407 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.619 4.646 -12.190 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.613 3.223 -11.901 1.00 0.00 H new ATOM 1111 N GLY A 75 17.357 1.446 -14.250 1.00 0.00 N ATOM 1112 CA GLY A 75 18.376 0.572 -13.699 1.00 0.00 C ATOM 1113 C GLY A 75 18.608 0.812 -12.220 1.00 0.00 C ATOM 1114 O GLY A 75 18.889 1.936 -11.804 1.00 0.00 O ATOM 0 H GLY A 75 17.531 2.443 -14.120 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.082 -0.466 -13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.311 0.723 -14.239 1.00 0.00 H new ATOM 1118 N MET A 76 18.488 -0.245 -11.425 1.00 0.00 N ATOM 1119 CA MET A 76 18.686 -0.143 -9.983 1.00 0.00 C ATOM 1120 C MET A 76 20.160 -0.302 -9.625 1.00 0.00 C ATOM 1121 O MET A 76 20.749 0.568 -8.984 1.00 0.00 O ATOM 1122 CB MET A 76 17.855 -1.203 -9.257 1.00 0.00 C ATOM 1123 CG MET A 76 18.079 -1.225 -7.753 1.00 0.00 C ATOM 1124 SD MET A 76 17.264 0.144 -6.910 1.00 0.00 S ATOM 1125 CE MET A 76 18.680 1.080 -6.336 1.00 0.00 C ATOM 0 H MET A 76 18.255 -1.182 -11.754 1.00 0.00 H new ATOM 0 HA MET A 76 18.358 0.846 -9.664 1.00 0.00 H new ATOM 0 HB2 MET A 76 16.798 -1.024 -9.456 1.00 0.00 H new ATOM 0 HB3 MET A 76 18.095 -2.184 -9.666 1.00 0.00 H new ATOM 0 HG2 MET A 76 17.710 -2.167 -7.348 1.00 0.00 H new ATOM 0 HG3 MET A 76 19.149 -1.188 -7.548 1.00 0.00 H new ATOM 0 HE1 MET A 76 18.348 1.857 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 76 19.373 0.413 -5.823 1.00 0.00 H new ATOM 0 HE3 MET A 76 19.182 1.540 -7.188 1.00 0.00 H new ATOM 1135 N ALA A 77 20.749 -1.418 -10.042 1.00 0.00 N ATOM 1136 CA ALA A 77 22.155 -1.688 -9.765 1.00 0.00 C ATOM 1137 C ALA A 77 23.020 -1.399 -10.987 1.00 0.00 C ATOM 1138 O ALA A 77 23.925 -2.167 -11.314 1.00 0.00 O ATOM 1139 CB ALA A 77 22.336 -3.131 -9.317 1.00 0.00 C ATOM 0 H ALA A 77 20.275 -2.149 -10.572 1.00 0.00 H new ATOM 0 HA ALA A 77 22.476 -1.026 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 77 23.390 -3.319 -9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 77 21.755 -3.307 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 77 21.993 -3.802 -10.104 1.00 0.00 H new ATOM 1145 N ALA A 78 22.735 -0.288 -11.659 1.00 0.00 N ATOM 1146 CA ALA A 78 23.489 0.102 -12.844 1.00 0.00 C ATOM 1147 C ALA A 78 24.990 0.071 -12.576 1.00 0.00 C ATOM 1148 O ALA A 78 25.554 1.021 -12.033 1.00 0.00 O ATOM 1149 CB ALA A 78 23.063 1.487 -13.308 1.00 0.00 C ATOM 0 H ALA A 78 21.988 0.357 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 78 23.273 -0.617 -13.634 1.00 0.00 H new ATOM 0 HB1 ALA A 78 23.634 1.766 -14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 78 22.000 1.479 -13.549 1.00 0.00 H new ATOM 0 HB3 ALA A 78 23.249 2.210 -12.514 1.00 0.00 H new ATOM 1155 N LYS A 79 25.631 -1.028 -12.958 1.00 0.00 N ATOM 1156 CA LYS A 79 27.067 -1.184 -12.759 1.00 0.00 C ATOM 1157 C LYS A 79 27.694 -1.963 -13.912 1.00 0.00 C ATOM 1158 O LYS A 79 26.990 -2.507 -14.761 1.00 0.00 O ATOM 1159 CB LYS A 79 27.345 -1.900 -11.436 1.00 0.00 C ATOM 1160 CG LYS A 79 27.234 -0.996 -10.220 1.00 0.00 C ATOM 1161 CD LYS A 79 28.535 -0.258 -9.953 1.00 0.00 C ATOM 1162 CE LYS A 79 29.492 -1.099 -9.122 1.00 0.00 C ATOM 1163 NZ LYS A 79 30.899 -0.627 -9.250 1.00 0.00 N ATOM 0 H LYS A 79 25.179 -1.824 -13.407 1.00 0.00 H new ATOM 0 HA LYS A 79 27.514 -0.190 -12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 79 26.646 -2.729 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 79 28.346 -2.330 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 79 26.431 -0.275 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 79 26.966 -1.591 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.007 0.004 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.324 0.676 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.191 -1.064 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.428 -2.140 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 31.520 -1.226 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 31.195 -0.684 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 30.965 0.359 -8.925 1.00 0.00 H new ATOM 1177 N SER A 80 29.023 -2.012 -13.933 1.00 0.00 N ATOM 1178 CA SER A 80 29.744 -2.722 -14.983 1.00 0.00 C ATOM 1179 C SER A 80 30.550 -3.879 -14.400 1.00 0.00 C ATOM 1180 O SER A 80 30.743 -3.968 -13.189 1.00 0.00 O ATOM 1181 CB SER A 80 30.674 -1.763 -15.730 1.00 0.00 C ATOM 1182 OG SER A 80 29.945 -0.699 -16.316 1.00 0.00 O ATOM 0 H SER A 80 29.621 -1.569 -13.236 1.00 0.00 H new ATOM 0 HA SER A 80 29.013 -3.127 -15.683 1.00 0.00 H new ATOM 0 HB2 SER A 80 31.418 -1.362 -15.041 1.00 0.00 H new ATOM 0 HB3 SER A 80 31.216 -2.306 -16.504 1.00 0.00 H new ATOM 0 HG SER A 80 30.562 -0.100 -16.786 1.00 0.00 H new ATOM 1188 N GLY A 81 31.018 -4.765 -15.275 1.00 0.00 N ATOM 1189 CA GLY A 81 31.797 -5.906 -14.830 1.00 0.00 C ATOM 1190 C GLY A 81 33.249 -5.818 -15.256 1.00 0.00 C ATOM 1191 O GLY A 81 33.658 -6.390 -16.266 1.00 0.00 O ATOM 0 H GLY A 81 30.872 -4.713 -16.283 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.744 -5.977 -13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.359 -6.820 -15.231 1.00 0.00 H new ATOM 1195 N PRO A 82 34.056 -5.084 -14.474 1.00 0.00 N ATOM 1196 CA PRO A 82 35.483 -4.904 -14.757 1.00 0.00 C ATOM 1197 C PRO A 82 36.282 -6.186 -14.545 1.00 0.00 C ATOM 1198 O PRO A 82 35.715 -7.243 -14.268 1.00 0.00 O ATOM 1199 CB PRO A 82 35.912 -3.834 -13.750 1.00 0.00 C ATOM 1200 CG PRO A 82 34.939 -3.957 -12.629 1.00 0.00 C ATOM 1201 CD PRO A 82 33.636 -4.373 -13.255 1.00 0.00 C ATOM 0 HA PRO A 82 35.661 -4.627 -15.796 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.933 -4.000 -13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.882 -2.839 -14.193 1.00 0.00 H new ATOM 0 HG2 PRO A 82 35.275 -4.695 -11.900 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.833 -3.011 -12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 82 33.059 -5.018 -12.592 1.00 0.00 H new ATOM 0 HD3 PRO A 82 33.009 -3.512 -13.487 1.00 0.00 H new ATOM 1209 N SER A 83 37.600 -6.084 -14.676 1.00 0.00 N ATOM 1210 CA SER A 83 38.477 -7.236 -14.502 1.00 0.00 C ATOM 1211 C SER A 83 39.855 -6.802 -14.013 1.00 0.00 C ATOM 1212 O SER A 83 40.349 -5.736 -14.382 1.00 0.00 O ATOM 1213 CB SER A 83 38.609 -8.007 -15.817 1.00 0.00 C ATOM 1214 OG SER A 83 39.475 -9.119 -15.672 1.00 0.00 O ATOM 0 H SER A 83 38.085 -5.215 -14.902 1.00 0.00 H new ATOM 0 HA SER A 83 38.033 -7.888 -13.750 1.00 0.00 H new ATOM 0 HB2 SER A 83 37.626 -8.348 -16.143 1.00 0.00 H new ATOM 0 HB3 SER A 83 38.990 -7.344 -16.594 1.00 0.00 H new ATOM 0 HG SER A 83 39.541 -9.596 -16.526 1.00 0.00 H new ATOM 1220 N SER A 84 40.472 -7.635 -13.182 1.00 0.00 N ATOM 1221 CA SER A 84 41.792 -7.337 -12.639 1.00 0.00 C ATOM 1222 C SER A 84 42.765 -8.478 -12.919 1.00 0.00 C ATOM 1223 O SER A 84 42.380 -9.524 -13.440 1.00 0.00 O ATOM 1224 CB SER A 84 41.702 -7.086 -11.132 1.00 0.00 C ATOM 1225 OG SER A 84 41.199 -8.224 -10.455 1.00 0.00 O ATOM 0 H SER A 84 40.079 -8.523 -12.870 1.00 0.00 H new ATOM 0 HA SER A 84 42.164 -6.437 -13.128 1.00 0.00 H new ATOM 0 HB2 SER A 84 42.688 -6.834 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 84 41.055 -6.230 -10.941 1.00 0.00 H new ATOM 0 HG SER A 84 41.153 -8.039 -9.494 1.00 0.00 H new ATOM 1231 N GLY A 85 44.031 -8.267 -12.570 1.00 0.00 N ATOM 1232 CA GLY A 85 45.041 -9.285 -12.791 1.00 0.00 C ATOM 1233 C GLY A 85 45.237 -9.597 -14.261 1.00 0.00 C ATOM 1234 O GLY A 85 46.311 -10.039 -14.671 1.00 0.00 O ATOM 0 H GLY A 85 44.375 -7.409 -12.138 1.00 0.00 H new ATOM 0 HA2 GLY A 85 45.987 -8.953 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 85 44.756 -10.196 -12.264 1.00 0.00 H new TER 1238 GLY A 85