USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 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 17 LYS NZ :NH3+ 173:sc= -0.0125 (180deg=-0.0918) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot -92:sc= 0.167 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0.164 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 1 SER OG : rot 180:sc= -0.136 USER MOD Set 5.2: A 5 SER OG : rot 180:sc= -0.177 USER MOD Single : A 1 SER N :NH3+ -145:sc= 0.00868 (180deg=0) USER MOD Single : A 7 SER OG : rot -13:sc= 0.563 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc=-0.00716 (180deg=-0.094) USER MOD Single : A 9 THR OG1 : rot 43:sc= 0.488 USER MOD Single : A 10 SER OG : rot 180:sc= -1.36 USER MOD Single : A 14 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.044) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.582 K(o=-0.58,f=0) USER MOD Single : A 26 SER OG : rot -96:sc= 0.779 USER MOD Single : A 33 SER OG : rot 4:sc= 0.384 USER MOD Single : A 39 SER OG : rot 180:sc= -0.033 USER MOD Single : A 46 MET CE :methyl 178:sc= -4.63! (180deg=-4.88!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.0088) 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 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.4) USER MOD Single : A 69 TYR OH : rot 145:sc= 0.481 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.673 14.853 9.089 1.00 0.00 N ATOM 2 CA SER A 1 0.693 15.404 9.301 1.00 0.00 C ATOM 3 C SER A 1 1.689 14.813 8.302 1.00 0.00 C ATOM 4 O SER A 1 2.337 15.551 7.558 1.00 0.00 O ATOM 5 CB SER A 1 1.161 15.132 10.736 1.00 0.00 C ATOM 6 OG SER A 1 1.080 13.752 11.052 1.00 0.00 O ATOM 0 H1 SER A 1 -1.379 15.590 9.287 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.770 14.536 8.103 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.825 14.047 9.728 1.00 0.00 H new ATOM 0 HA SER A 1 0.649 16.481 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.189 15.475 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.550 15.704 11.435 1.00 0.00 H new ATOM 0 HG SER A 1 1.386 13.609 11.972 1.00 0.00 H new ATOM 14 N ASP A 2 1.800 13.482 8.284 1.00 0.00 N ATOM 15 CA ASP A 2 2.719 12.790 7.380 1.00 0.00 C ATOM 16 C ASP A 2 2.246 11.360 7.116 1.00 0.00 C ATOM 17 O ASP A 2 1.415 10.827 7.853 1.00 0.00 O ATOM 18 CB ASP A 2 4.136 12.762 7.964 1.00 0.00 C ATOM 19 CG ASP A 2 4.804 14.125 7.955 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.295 14.539 6.883 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.838 14.776 9.020 1.00 0.00 O ATOM 0 H ASP A 2 1.262 12.861 8.888 1.00 0.00 H new ATOM 0 HA ASP A 2 2.734 13.338 6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.095 12.390 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.745 12.060 7.394 1.00 0.00 H new ATOM 26 N VAL A 3 2.783 10.744 6.062 1.00 0.00 N ATOM 27 CA VAL A 3 2.421 9.371 5.706 1.00 0.00 C ATOM 28 C VAL A 3 2.876 8.383 6.781 1.00 0.00 C ATOM 29 O VAL A 3 2.183 7.406 7.065 1.00 0.00 O ATOM 30 CB VAL A 3 3.021 8.954 4.342 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.545 8.946 4.388 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.488 7.593 3.919 1.00 0.00 C ATOM 0 H VAL A 3 3.469 11.173 5.441 1.00 0.00 H new ATOM 0 HA VAL A 3 1.334 9.345 5.631 1.00 0.00 H new ATOM 0 HB VAL A 3 2.715 9.692 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.937 8.649 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.907 9.944 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.882 8.239 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.920 7.316 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.758 6.848 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.403 7.639 3.829 1.00 0.00 H new ATOM 42 N TRP A 4 4.041 8.647 7.378 1.00 0.00 N ATOM 43 CA TRP A 4 4.586 7.784 8.420 1.00 0.00 C ATOM 44 C TRP A 4 3.879 8.023 9.756 1.00 0.00 C ATOM 45 O TRP A 4 3.663 7.085 10.524 1.00 0.00 O ATOM 46 CB TRP A 4 6.091 8.025 8.573 1.00 0.00 C ATOM 47 CG TRP A 4 6.860 6.790 8.936 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.667 5.996 10.028 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.947 6.211 8.204 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.565 4.957 10.021 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.362 5.067 8.912 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.611 6.547 7.020 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.409 4.260 8.474 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.650 5.745 6.587 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.039 4.612 7.313 1.00 0.00 C ATOM 0 H TRP A 4 4.623 9.454 7.154 1.00 0.00 H new ATOM 0 HA TRP A 4 4.418 6.748 8.124 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.484 8.427 7.639 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.254 8.783 9.339 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.917 6.160 10.788 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.628 4.223 10.726 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.317 7.418 6.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.713 3.387 9.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.170 5.996 5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.854 4.004 6.948 1.00 0.00 H new ATOM 66 N SER A 5 3.517 9.282 10.027 1.00 0.00 N ATOM 67 CA SER A 5 2.813 9.629 11.261 1.00 0.00 C ATOM 68 C SER A 5 1.451 8.937 11.295 1.00 0.00 C ATOM 69 O SER A 5 1.100 8.284 12.279 1.00 0.00 O ATOM 70 CB SER A 5 2.634 11.147 11.371 1.00 0.00 C ATOM 71 OG SER A 5 3.884 11.814 11.343 1.00 0.00 O ATOM 0 H SER A 5 3.700 10.073 9.409 1.00 0.00 H new ATOM 0 HA SER A 5 3.408 9.289 12.109 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.011 11.503 10.551 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.111 11.388 12.296 1.00 0.00 H new ATOM 0 HG SER A 5 3.740 12.781 11.413 1.00 0.00 H new ATOM 77 N LEU A 6 0.690 9.087 10.208 1.00 0.00 N ATOM 78 CA LEU A 6 -0.629 8.472 10.097 1.00 0.00 C ATOM 79 C LEU A 6 -0.550 7.213 9.235 1.00 0.00 C ATOM 80 O LEU A 6 -0.640 7.282 8.006 1.00 0.00 O ATOM 81 CB LEU A 6 -1.632 9.465 9.500 1.00 0.00 C ATOM 82 CG LEU A 6 -1.845 10.750 10.308 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.813 11.675 9.589 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.356 10.429 11.706 1.00 0.00 C ATOM 0 H LEU A 6 0.968 9.631 9.392 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.971 8.193 11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.297 9.737 8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.593 8.962 9.389 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.885 11.257 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.953 12.583 10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.409 11.935 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.772 11.172 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.500 11.355 12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.305 9.898 11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.629 9.804 12.225 1.00 0.00 H new ATOM 96 N SER A 7 -0.371 6.066 9.888 1.00 0.00 N ATOM 97 CA SER A 7 -0.260 4.785 9.187 1.00 0.00 C ATOM 98 C SER A 7 -1.222 3.724 9.745 1.00 0.00 C ATOM 99 O SER A 7 -1.072 2.536 9.459 1.00 0.00 O ATOM 100 CB SER A 7 1.183 4.279 9.267 1.00 0.00 C ATOM 101 OG SER A 7 2.082 5.191 8.661 1.00 0.00 O ATOM 0 H SER A 7 -0.299 5.996 10.903 1.00 0.00 H new ATOM 0 HA SER A 7 -0.540 4.955 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.461 4.130 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.259 3.309 8.775 1.00 0.00 H new ATOM 0 HG SER A 7 1.578 5.847 8.135 1.00 0.00 H new ATOM 107 N LYS A 8 -2.207 4.155 10.540 1.00 0.00 N ATOM 108 CA LYS A 8 -3.187 3.234 11.121 1.00 0.00 C ATOM 109 C LYS A 8 -4.449 3.109 10.258 1.00 0.00 C ATOM 110 O LYS A 8 -5.120 2.077 10.289 1.00 0.00 O ATOM 111 CB LYS A 8 -3.561 3.689 12.535 1.00 0.00 C ATOM 112 CG LYS A 8 -2.392 3.672 13.509 1.00 0.00 C ATOM 113 CD LYS A 8 -1.828 2.269 13.684 1.00 0.00 C ATOM 114 CE LYS A 8 -0.606 2.261 14.592 1.00 0.00 C ATOM 115 NZ LYS A 8 -0.931 2.725 15.971 1.00 0.00 N ATOM 0 H LYS A 8 -2.346 5.133 10.795 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.723 2.249 11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.969 4.699 12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.352 3.044 12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.608 4.338 13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.717 4.057 14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.596 1.618 14.102 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.560 1.861 12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.194 1.253 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.166 2.902 14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.114 2.561 16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.154 3.741 15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.752 2.197 16.330 1.00 0.00 H new ATOM 129 N THR A 9 -4.767 4.158 9.489 1.00 0.00 N ATOM 130 CA THR A 9 -5.953 4.155 8.627 1.00 0.00 C ATOM 131 C THR A 9 -5.855 3.085 7.535 1.00 0.00 C ATOM 132 O THR A 9 -5.106 3.237 6.567 1.00 0.00 O ATOM 133 CB THR A 9 -6.176 5.532 7.965 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.994 5.944 7.266 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.544 6.581 9.005 1.00 0.00 C ATOM 0 H THR A 9 -4.220 5.018 9.447 1.00 0.00 H new ATOM 0 HA THR A 9 -6.802 3.927 9.272 1.00 0.00 H new ATOM 0 HB THR A 9 -7.000 5.436 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.623 5.182 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.696 7.542 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.462 6.284 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.738 6.669 9.734 1.00 0.00 H new ATOM 143 N SER A 10 -6.623 2.005 7.697 1.00 0.00 N ATOM 144 CA SER A 10 -6.626 0.904 6.732 1.00 0.00 C ATOM 145 C SER A 10 -7.576 1.184 5.566 1.00 0.00 C ATOM 146 O SER A 10 -8.326 2.162 5.583 1.00 0.00 O ATOM 147 CB SER A 10 -7.021 -0.408 7.421 1.00 0.00 C ATOM 148 OG SER A 10 -6.161 -0.698 8.511 1.00 0.00 O ATOM 0 H SER A 10 -7.252 1.870 8.489 1.00 0.00 H new ATOM 0 HA SER A 10 -5.616 0.812 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.050 -0.340 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.986 -1.225 6.700 1.00 0.00 H new ATOM 0 HG SER A 10 -6.438 -1.539 8.932 1.00 0.00 H new ATOM 154 N MET A 11 -7.538 0.312 4.556 1.00 0.00 N ATOM 155 CA MET A 11 -8.392 0.450 3.377 1.00 0.00 C ATOM 156 C MET A 11 -8.984 -0.900 2.979 1.00 0.00 C ATOM 157 O MET A 11 -8.331 -1.937 3.109 1.00 0.00 O ATOM 158 CB MET A 11 -7.598 1.037 2.209 1.00 0.00 C ATOM 159 CG MET A 11 -8.415 1.222 0.938 1.00 0.00 C ATOM 160 SD MET A 11 -9.711 2.464 1.115 1.00 0.00 S ATOM 161 CE MET A 11 -10.504 2.359 -0.487 1.00 0.00 C ATOM 0 H MET A 11 -6.922 -0.500 4.533 1.00 0.00 H new ATOM 0 HA MET A 11 -9.208 1.128 3.626 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.188 2.001 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.752 0.385 1.993 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.751 1.510 0.123 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.866 0.270 0.660 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.329 3.070 -0.532 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.780 2.593 -1.267 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.886 1.350 -0.638 1.00 0.00 H new ATOM 171 N THR A 12 -10.220 -0.875 2.481 1.00 0.00 N ATOM 172 CA THR A 12 -10.905 -2.096 2.071 1.00 0.00 C ATOM 173 C THR A 12 -10.720 -2.378 0.579 1.00 0.00 C ATOM 174 O THR A 12 -10.906 -1.496 -0.262 1.00 0.00 O ATOM 175 CB THR A 12 -12.415 -2.030 2.386 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.615 -1.740 3.774 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.105 -3.343 2.035 1.00 0.00 C ATOM 0 H THR A 12 -10.765 -0.023 2.353 1.00 0.00 H new ATOM 0 HA THR A 12 -10.453 -2.907 2.643 1.00 0.00 H new ATOM 0 HB THR A 12 -12.852 -1.236 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.575 -1.698 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.167 -3.269 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.979 -3.547 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.663 -4.153 2.615 1.00 0.00 H new ATOM 185 N PHE A 13 -10.352 -3.620 0.270 1.00 0.00 N ATOM 186 CA PHE A 13 -10.152 -4.062 -1.106 1.00 0.00 C ATOM 187 C PHE A 13 -11.424 -4.706 -1.647 1.00 0.00 C ATOM 188 O PHE A 13 -12.124 -5.423 -0.929 1.00 0.00 O ATOM 189 CB PHE A 13 -8.993 -5.063 -1.180 1.00 0.00 C ATOM 190 CG PHE A 13 -7.637 -4.432 -1.039 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.220 -3.915 0.176 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.778 -4.361 -2.124 1.00 0.00 C ATOM 193 CE1 PHE A 13 -5.972 -3.339 0.307 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.529 -3.786 -1.999 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.126 -3.273 -0.781 1.00 0.00 C ATOM 0 H PHE A 13 -10.185 -4.346 0.966 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.909 -3.191 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.119 -5.810 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.041 -5.590 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.878 -3.963 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.089 -4.760 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.658 -2.940 1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.868 -3.737 -2.852 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.150 -2.821 -0.681 1.00 0.00 H new ATOM 205 N GLN A 14 -11.714 -4.439 -2.918 1.00 0.00 N ATOM 206 CA GLN A 14 -12.899 -4.985 -3.570 1.00 0.00 C ATOM 207 C GLN A 14 -12.496 -5.815 -4.786 1.00 0.00 C ATOM 208 O GLN A 14 -12.194 -5.267 -5.848 1.00 0.00 O ATOM 209 CB GLN A 14 -13.843 -3.852 -3.983 1.00 0.00 C ATOM 210 CG GLN A 14 -15.120 -4.324 -4.667 1.00 0.00 C ATOM 211 CD GLN A 14 -15.981 -5.195 -3.770 1.00 0.00 C ATOM 212 OE1 GLN A 14 -16.802 -4.694 -3.003 1.00 0.00 O ATOM 213 NE2 GLN A 14 -15.806 -6.509 -3.869 1.00 0.00 N ATOM 0 H GLN A 14 -11.141 -3.845 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.422 -5.633 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.110 -3.275 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.312 -3.178 -4.655 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.698 -3.456 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.860 -4.882 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.114 -6.884 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.364 -7.142 -3.296 1.00 0.00 H new ATOM 222 N PRO A 15 -12.476 -7.153 -4.640 1.00 0.00 N ATOM 223 CA PRO A 15 -12.099 -8.067 -5.725 1.00 0.00 C ATOM 224 C PRO A 15 -12.934 -7.856 -6.986 1.00 0.00 C ATOM 225 O PRO A 15 -14.129 -7.561 -6.909 1.00 0.00 O ATOM 226 CB PRO A 15 -12.351 -9.463 -5.138 1.00 0.00 C ATOM 227 CG PRO A 15 -13.182 -9.243 -3.921 1.00 0.00 C ATOM 228 CD PRO A 15 -12.813 -7.884 -3.408 1.00 0.00 C ATOM 0 HA PRO A 15 -11.068 -7.909 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.867 -10.102 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.413 -9.958 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.244 -9.295 -4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.986 -10.009 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.639 -7.416 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.969 -7.927 -2.719 1.00 0.00 H new ATOM 236 N LYS A 16 -12.298 -8.011 -8.148 1.00 0.00 N ATOM 237 CA LYS A 16 -12.984 -7.846 -9.427 1.00 0.00 C ATOM 238 C LYS A 16 -13.876 -9.053 -9.720 1.00 0.00 C ATOM 239 O LYS A 16 -15.005 -8.901 -10.191 1.00 0.00 O ATOM 240 CB LYS A 16 -11.969 -7.652 -10.558 1.00 0.00 C ATOM 241 CG LYS A 16 -11.203 -6.339 -10.476 1.00 0.00 C ATOM 242 CD LYS A 16 -12.123 -5.139 -10.636 1.00 0.00 C ATOM 243 CE LYS A 16 -11.354 -3.831 -10.532 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.255 -2.648 -10.606 1.00 0.00 N ATOM 0 H LYS A 16 -11.310 -8.250 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.613 -6.958 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.258 -8.478 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.491 -7.699 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.688 -6.277 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.437 -6.316 -11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.626 -5.191 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.898 -5.169 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.802 -3.808 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.619 -3.778 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.691 -1.777 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.763 -2.655 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.941 -2.685 -9.825 1.00 0.00 H new ATOM 258 N LYS A 17 -13.354 -10.251 -9.439 1.00 0.00 N ATOM 259 CA LYS A 17 -14.093 -11.491 -9.668 1.00 0.00 C ATOM 260 C LYS A 17 -14.640 -12.053 -8.356 1.00 0.00 C ATOM 261 O LYS A 17 -14.312 -11.563 -7.272 1.00 0.00 O ATOM 262 CB LYS A 17 -13.198 -12.539 -10.345 1.00 0.00 C ATOM 263 CG LYS A 17 -12.773 -12.179 -11.764 1.00 0.00 C ATOM 264 CD LYS A 17 -11.703 -11.095 -11.787 1.00 0.00 C ATOM 265 CE LYS A 17 -10.446 -11.524 -11.044 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.802 -12.716 -11.664 1.00 0.00 N ATOM 0 H LYS A 17 -12.420 -10.386 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.931 -11.260 -10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.305 -12.685 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.727 -13.492 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.396 -13.070 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.643 -11.841 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.451 -10.856 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.098 -10.185 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.736 -10.697 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.698 -11.748 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.890 -12.899 -11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.421 -13.544 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.644 -12.538 -12.676 1.00 0.00 H new ATOM 280 N ALA A 18 -15.472 -13.089 -8.464 1.00 0.00 N ATOM 281 CA ALA A 18 -16.070 -13.729 -7.293 1.00 0.00 C ATOM 282 C ALA A 18 -15.041 -14.556 -6.520 1.00 0.00 C ATOM 283 O ALA A 18 -15.079 -14.608 -5.289 1.00 0.00 O ATOM 284 CB ALA A 18 -17.242 -14.606 -7.710 1.00 0.00 C ATOM 0 H ALA A 18 -15.748 -13.504 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.431 -12.941 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.677 -15.076 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.996 -13.994 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.893 -15.377 -8.397 1.00 0.00 H new ATOM 290 N SER A 19 -14.125 -15.200 -7.250 1.00 0.00 N ATOM 291 CA SER A 19 -13.083 -16.024 -6.637 1.00 0.00 C ATOM 292 C SER A 19 -12.202 -15.205 -5.690 1.00 0.00 C ATOM 293 O SER A 19 -11.817 -15.686 -4.623 1.00 0.00 O ATOM 294 CB SER A 19 -12.219 -16.676 -7.722 1.00 0.00 C ATOM 295 OG SER A 19 -11.251 -17.543 -7.156 1.00 0.00 O ATOM 0 H SER A 19 -14.086 -15.165 -8.269 1.00 0.00 H new ATOM 0 HA SER A 19 -13.575 -16.800 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.854 -17.235 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.721 -15.903 -8.307 1.00 0.00 H new ATOM 0 HG SER A 19 -10.715 -17.946 -7.871 1.00 0.00 H new ATOM 301 N LEU A 20 -11.889 -13.967 -6.084 1.00 0.00 N ATOM 302 CA LEU A 20 -11.055 -13.087 -5.266 1.00 0.00 C ATOM 303 C LEU A 20 -11.773 -12.692 -3.973 1.00 0.00 C ATOM 304 O LEU A 20 -13.004 -12.606 -3.934 1.00 0.00 O ATOM 305 CB LEU A 20 -10.675 -11.833 -6.054 1.00 0.00 C ATOM 306 CG LEU A 20 -9.900 -12.073 -7.352 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.588 -10.751 -8.035 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.617 -12.844 -7.079 1.00 0.00 C ATOM 0 H LEU A 20 -12.201 -13.554 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.149 -13.633 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.587 -11.286 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.077 -11.189 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.524 -12.671 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.037 -10.939 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.518 -10.233 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.985 -10.132 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.082 -13.003 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.989 -12.274 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.860 -13.808 -6.631 1.00 0.00 H new ATOM 320 N GLN A 21 -10.992 -12.452 -2.919 1.00 0.00 N ATOM 321 CA GLN A 21 -11.542 -12.077 -1.616 1.00 0.00 C ATOM 322 C GLN A 21 -11.030 -10.704 -1.168 1.00 0.00 C ATOM 323 O GLN A 21 -9.854 -10.385 -1.349 1.00 0.00 O ATOM 324 CB GLN A 21 -11.181 -13.137 -0.571 1.00 0.00 C ATOM 325 CG GLN A 21 -11.820 -12.898 0.792 1.00 0.00 C ATOM 326 CD GLN A 21 -11.384 -13.905 1.846 1.00 0.00 C ATOM 327 OE1 GLN A 21 -11.257 -13.562 3.022 1.00 0.00 O ATOM 328 NE2 GLN A 21 -11.169 -15.156 1.442 1.00 0.00 N ATOM 0 H GLN A 21 -9.974 -12.511 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.626 -12.017 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.487 -14.116 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.098 -13.165 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.568 -11.894 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.904 -12.937 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.285 -15.401 0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.889 -15.869 2.116 1.00 0.00 H new ATOM 337 N PRO A 22 -11.916 -9.878 -0.567 1.00 0.00 N ATOM 338 CA PRO A 22 -11.561 -8.530 -0.082 1.00 0.00 C ATOM 339 C PRO A 22 -10.396 -8.536 0.912 1.00 0.00 C ATOM 340 O PRO A 22 -9.943 -9.594 1.353 1.00 0.00 O ATOM 341 CB PRO A 22 -12.845 -8.046 0.601 1.00 0.00 C ATOM 342 CG PRO A 22 -13.934 -8.842 -0.027 1.00 0.00 C ATOM 343 CD PRO A 22 -13.337 -10.188 -0.319 1.00 0.00 C ATOM 0 HA PRO A 22 -11.223 -7.890 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.806 -8.210 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.997 -6.978 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.790 -8.930 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.291 -8.365 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.459 -10.874 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.804 -10.657 -1.185 1.00 0.00 H new ATOM 351 N LEU A 23 -9.926 -7.337 1.268 1.00 0.00 N ATOM 352 CA LEU A 23 -8.806 -7.186 2.202 1.00 0.00 C ATOM 353 C LEU A 23 -8.906 -5.869 2.970 1.00 0.00 C ATOM 354 O LEU A 23 -9.445 -4.888 2.463 1.00 0.00 O ATOM 355 CB LEU A 23 -7.478 -7.251 1.439 1.00 0.00 C ATOM 356 CG LEU A 23 -6.220 -7.366 2.307 1.00 0.00 C ATOM 357 CD1 LEU A 23 -5.156 -8.183 1.589 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.679 -5.987 2.656 1.00 0.00 C ATOM 0 H LEU A 23 -10.305 -6.455 0.923 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.848 -8.003 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.510 -8.105 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.391 -6.357 0.821 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.488 -7.875 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.268 -8.256 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.540 -9.183 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.896 -7.696 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.786 -6.092 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.427 -5.453 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.436 -5.428 3.206 1.00 0.00 H new ATOM 370 N THR A 24 -8.385 -5.855 4.197 1.00 0.00 N ATOM 371 CA THR A 24 -8.420 -4.651 5.023 1.00 0.00 C ATOM 372 C THR A 24 -7.143 -4.499 5.852 1.00 0.00 C ATOM 373 O THR A 24 -7.000 -5.117 6.910 1.00 0.00 O ATOM 374 CB THR A 24 -9.646 -4.643 5.961 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.844 -4.859 5.204 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.751 -3.318 6.706 1.00 0.00 C ATOM 0 H THR A 24 -7.937 -6.659 4.637 1.00 0.00 H new ATOM 0 HA THR A 24 -8.496 -3.807 4.338 1.00 0.00 H new ATOM 0 HB THR A 24 -9.522 -5.445 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.617 -4.854 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.622 -3.337 7.360 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.852 -3.164 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.854 -2.504 5.988 1.00 0.00 H new ATOM 384 N ILE A 25 -6.214 -3.677 5.358 1.00 0.00 N ATOM 385 CA ILE A 25 -4.943 -3.444 6.048 1.00 0.00 C ATOM 386 C ILE A 25 -4.426 -2.020 5.802 1.00 0.00 C ATOM 387 O ILE A 25 -4.760 -1.394 4.793 1.00 0.00 O ATOM 388 CB ILE A 25 -3.870 -4.471 5.609 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.731 -4.532 6.633 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.330 -4.139 4.224 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.141 -5.132 7.960 1.00 0.00 C ATOM 0 H ILE A 25 -6.318 -3.162 4.484 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.132 -3.567 7.114 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.342 -5.452 5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.911 -5.117 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.351 -3.524 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.578 -4.876 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.146 -4.156 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.879 -3.147 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.285 -5.143 8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.940 -4.534 8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.494 -6.152 7.805 1.00 0.00 H new ATOM 403 N SER A 26 -3.608 -1.518 6.733 1.00 0.00 N ATOM 404 CA SER A 26 -3.046 -0.170 6.628 1.00 0.00 C ATOM 405 C SER A 26 -1.518 -0.192 6.501 1.00 0.00 C ATOM 406 O SER A 26 -0.889 -1.249 6.547 1.00 0.00 O ATOM 407 CB SER A 26 -3.449 0.658 7.854 1.00 0.00 C ATOM 408 OG SER A 26 -3.017 2.002 7.735 1.00 0.00 O ATOM 0 H SER A 26 -3.321 -2.027 7.569 1.00 0.00 H new ATOM 0 HA SER A 26 -3.448 0.284 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.532 0.632 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.019 0.214 8.752 1.00 0.00 H new ATOM 0 HG SER A 26 -2.167 2.116 8.210 1.00 0.00 H new ATOM 414 N LEU A 27 -0.942 1.003 6.337 1.00 0.00 N ATOM 415 CA LEU A 27 0.507 1.191 6.215 1.00 0.00 C ATOM 416 C LEU A 27 1.274 0.492 7.339 1.00 0.00 C ATOM 417 O LEU A 27 2.029 -0.450 7.096 1.00 0.00 O ATOM 418 CB LEU A 27 0.833 2.690 6.243 1.00 0.00 C ATOM 419 CG LEU A 27 0.206 3.521 5.120 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.509 4.998 5.317 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.706 3.049 3.762 1.00 0.00 C ATOM 0 H LEU A 27 -1.472 1.873 6.285 1.00 0.00 H new ATOM 0 HA LEU A 27 0.817 0.748 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.506 3.098 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.916 2.810 6.199 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.875 3.384 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.056 5.573 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.101 5.329 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.588 5.152 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.249 3.651 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.790 3.155 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.437 2.002 3.619 1.00 0.00 H new ATOM 433 N ASP A 28 1.059 0.951 8.573 1.00 0.00 N ATOM 434 CA ASP A 28 1.750 0.405 9.741 1.00 0.00 C ATOM 435 C ASP A 28 1.439 -1.078 9.943 1.00 0.00 C ATOM 436 O ASP A 28 2.315 -1.854 10.329 1.00 0.00 O ATOM 437 CB ASP A 28 1.359 1.191 10.996 1.00 0.00 C ATOM 438 CG ASP A 28 2.182 0.800 12.209 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.291 1.348 12.376 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.716 -0.055 12.992 1.00 0.00 O ATOM 0 H ASP A 28 0.407 1.705 8.789 1.00 0.00 H new ATOM 0 HA ASP A 28 2.821 0.501 9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.483 2.257 10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.303 1.026 11.209 1.00 0.00 H new ATOM 445 N GLU A 29 0.192 -1.463 9.680 1.00 0.00 N ATOM 446 CA GLU A 29 -0.237 -2.850 9.849 1.00 0.00 C ATOM 447 C GLU A 29 0.306 -3.767 8.749 1.00 0.00 C ATOM 448 O GLU A 29 0.303 -4.989 8.912 1.00 0.00 O ATOM 449 CB GLU A 29 -1.767 -2.936 9.866 1.00 0.00 C ATOM 450 CG GLU A 29 -2.442 -1.931 10.788 1.00 0.00 C ATOM 451 CD GLU A 29 -1.791 -1.848 12.158 1.00 0.00 C ATOM 452 OE1 GLU A 29 -1.968 -2.792 12.959 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.109 -0.838 12.431 1.00 0.00 O ATOM 0 H GLU A 29 -0.539 -0.834 9.349 1.00 0.00 H new ATOM 0 HA GLU A 29 0.169 -3.191 10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.139 -2.787 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.059 -3.942 10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.419 -0.946 10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.491 -2.203 10.907 1.00 0.00 H new ATOM 460 N LEU A 30 0.778 -3.191 7.637 1.00 0.00 N ATOM 461 CA LEU A 30 1.289 -4.000 6.530 1.00 0.00 C ATOM 462 C LEU A 30 2.798 -3.813 6.288 1.00 0.00 C ATOM 463 O LEU A 30 3.331 -4.322 5.300 1.00 0.00 O ATOM 464 CB LEU A 30 0.500 -3.689 5.254 1.00 0.00 C ATOM 465 CG LEU A 30 0.708 -4.662 4.089 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.253 -6.063 4.469 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.036 -4.177 2.854 1.00 0.00 C ATOM 0 H LEU A 30 0.816 -2.183 7.483 1.00 0.00 H new ATOM 0 HA LEU A 30 1.151 -5.045 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.561 -3.669 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.768 -2.687 4.918 1.00 0.00 H new ATOM 0 HG LEU A 30 1.773 -4.700 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.410 -6.737 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.829 -6.413 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.806 -6.044 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.122 -4.879 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.101 -4.110 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.338 -3.194 2.567 1.00 0.00 H new ATOM 479 N PHE A 31 3.489 -3.108 7.193 1.00 0.00 N ATOM 480 CA PHE A 31 4.934 -2.913 7.037 1.00 0.00 C ATOM 481 C PHE A 31 5.668 -3.172 8.351 1.00 0.00 C ATOM 482 O PHE A 31 5.189 -2.799 9.423 1.00 0.00 O ATOM 483 CB PHE A 31 5.272 -1.512 6.503 1.00 0.00 C ATOM 484 CG PHE A 31 4.574 -1.151 5.217 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.592 -2.012 4.132 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.901 0.053 5.098 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.949 -1.679 2.954 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.258 0.392 3.924 1.00 0.00 C ATOM 489 CZ PHE A 31 3.282 -0.476 2.851 1.00 0.00 C ATOM 0 H PHE A 31 3.082 -2.673 8.021 1.00 0.00 H new ATOM 0 HA PHE A 31 5.274 -3.639 6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.012 -0.775 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.349 -1.445 6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.114 -2.954 4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.879 0.736 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.969 -2.360 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.737 1.335 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.779 -0.214 1.932 1.00 0.00 H new ATOM 499 N SER A 32 6.833 -3.813 8.255 1.00 0.00 N ATOM 500 CA SER A 32 7.635 -4.135 9.435 1.00 0.00 C ATOM 501 C SER A 32 9.108 -3.761 9.233 1.00 0.00 C ATOM 502 O SER A 32 9.995 -4.366 9.839 1.00 0.00 O ATOM 503 CB SER A 32 7.523 -5.636 9.721 1.00 0.00 C ATOM 504 OG SER A 32 7.962 -6.406 8.613 1.00 0.00 O ATOM 0 H SER A 32 7.242 -4.119 7.372 1.00 0.00 H new ATOM 0 HA SER A 32 7.255 -3.557 10.277 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.118 -5.886 10.599 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.488 -5.888 9.955 1.00 0.00 H new ATOM 0 HG SER A 32 7.199 -6.610 8.034 1.00 0.00 H new ATOM 510 N SER A 33 9.365 -2.752 8.394 1.00 0.00 N ATOM 511 CA SER A 33 10.732 -2.306 8.119 1.00 0.00 C ATOM 512 C SER A 33 10.750 -0.868 7.607 1.00 0.00 C ATOM 513 O SER A 33 9.906 -0.479 6.795 1.00 0.00 O ATOM 514 CB SER A 33 11.405 -3.228 7.099 1.00 0.00 C ATOM 515 OG SER A 33 11.577 -4.535 7.619 1.00 0.00 O ATOM 0 H SER A 33 8.644 -2.230 7.895 1.00 0.00 H new ATOM 0 HA SER A 33 11.287 -2.346 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.802 -3.272 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.374 -2.816 6.818 1.00 0.00 H new ATOM 0 HG SER A 33 11.176 -4.587 8.512 1.00 0.00 H new ATOM 521 N ARG A 34 11.717 -0.081 8.086 1.00 0.00 N ATOM 522 CA ARG A 34 11.853 1.316 7.672 1.00 0.00 C ATOM 523 C ARG A 34 12.211 1.406 6.191 1.00 0.00 C ATOM 524 O ARG A 34 11.579 2.148 5.439 1.00 0.00 O ATOM 525 CB ARG A 34 12.909 2.035 8.521 1.00 0.00 C ATOM 526 CG ARG A 34 12.411 2.457 9.897 1.00 0.00 C ATOM 527 CD ARG A 34 12.042 1.258 10.759 1.00 0.00 C ATOM 528 NE ARG A 34 11.457 1.656 12.040 1.00 0.00 N ATOM 529 CZ ARG A 34 10.958 0.796 12.932 1.00 0.00 C ATOM 530 NH1 ARG A 34 10.971 -0.513 12.692 1.00 0.00 N ATOM 531 NH2 ARG A 34 10.442 1.249 14.071 1.00 0.00 N ATOM 0 H ARG A 34 12.417 -0.389 8.761 1.00 0.00 H new ATOM 0 HA ARG A 34 10.894 1.810 7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.771 1.379 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.254 2.918 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.182 3.041 10.399 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.542 3.105 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.335 0.628 10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.932 0.655 10.940 1.00 0.00 H new ATOM 0 HE ARG A 34 11.429 2.650 12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.365 -0.868 11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.587 -1.161 13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.428 2.251 14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.060 0.594 14.754 1.00 0.00 H new ATOM 545 N GLY A 35 13.231 0.644 5.779 1.00 0.00 N ATOM 546 CA GLY A 35 13.636 0.636 4.383 1.00 0.00 C ATOM 547 C GLY A 35 12.532 0.115 3.481 1.00 0.00 C ATOM 548 O GLY A 35 12.382 0.574 2.347 1.00 0.00 O ATOM 0 H GLY A 35 13.779 0.036 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.909 1.646 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.525 0.016 4.266 1.00 0.00 H new ATOM 552 N GLU A 36 11.757 -0.849 3.989 1.00 0.00 N ATOM 553 CA GLU A 36 10.638 -1.413 3.241 1.00 0.00 C ATOM 554 C GLU A 36 9.622 -0.316 2.924 1.00 0.00 C ATOM 555 O GLU A 36 9.058 -0.279 1.830 1.00 0.00 O ATOM 556 CB GLU A 36 9.970 -2.536 4.043 1.00 0.00 C ATOM 557 CG GLU A 36 8.742 -3.132 3.373 1.00 0.00 C ATOM 558 CD GLU A 36 9.065 -3.852 2.077 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.357 -5.065 2.129 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.023 -3.204 1.010 1.00 0.00 O ATOM 0 H GLU A 36 11.888 -1.253 4.917 1.00 0.00 H new ATOM 0 HA GLU A 36 11.014 -1.832 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.698 -3.329 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.685 -2.149 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.262 -3.829 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.023 -2.338 3.172 1.00 0.00 H new ATOM 567 N PHE A 37 9.403 0.578 3.895 1.00 0.00 N ATOM 568 CA PHE A 37 8.480 1.697 3.723 1.00 0.00 C ATOM 569 C PHE A 37 8.945 2.587 2.570 1.00 0.00 C ATOM 570 O PHE A 37 8.138 3.041 1.758 1.00 0.00 O ATOM 571 CB PHE A 37 8.391 2.513 5.018 1.00 0.00 C ATOM 572 CG PHE A 37 7.120 3.303 5.157 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.032 4.595 4.665 1.00 0.00 C ATOM 574 CD2 PHE A 37 6.014 2.754 5.786 1.00 0.00 C ATOM 575 CE1 PHE A 37 5.865 5.325 4.798 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.844 3.477 5.921 1.00 0.00 C ATOM 577 CZ PHE A 37 4.770 4.765 5.427 1.00 0.00 C ATOM 0 H PHE A 37 9.855 0.545 4.809 1.00 0.00 H new ATOM 0 HA PHE A 37 7.491 1.305 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.481 1.837 5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.239 3.197 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.885 5.037 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.067 1.748 6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.810 6.332 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.989 3.036 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.858 5.333 5.532 1.00 0.00 H new ATOM 587 N ILE A 38 10.253 2.851 2.522 1.00 0.00 N ATOM 588 CA ILE A 38 10.842 3.664 1.461 1.00 0.00 C ATOM 589 C ILE A 38 10.538 3.089 0.076 1.00 0.00 C ATOM 590 O ILE A 38 10.020 3.798 -0.788 1.00 0.00 O ATOM 591 CB ILE A 38 12.374 3.791 1.636 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.707 4.427 2.991 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.981 4.605 0.498 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.001 5.746 3.237 1.00 0.00 C ATOM 0 H ILE A 38 10.925 2.511 3.210 1.00 0.00 H new ATOM 0 HA ILE A 38 10.390 4.653 1.537 1.00 0.00 H new ATOM 0 HB ILE A 38 12.807 2.791 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.441 3.729 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.784 4.585 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.059 4.682 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.775 4.112 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.544 5.603 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.286 6.134 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.286 6.461 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.922 5.592 3.208 1.00 0.00 H new ATOM 606 N SER A 39 10.864 1.807 -0.135 1.00 0.00 N ATOM 607 CA SER A 39 10.626 1.166 -1.431 1.00 0.00 C ATOM 608 C SER A 39 9.145 1.240 -1.804 1.00 0.00 C ATOM 609 O SER A 39 8.791 1.903 -2.779 1.00 0.00 O ATOM 610 CB SER A 39 11.115 -0.287 -1.424 1.00 0.00 C ATOM 611 OG SER A 39 10.560 -1.016 -0.344 1.00 0.00 O ATOM 0 H SER A 39 11.288 1.201 0.567 1.00 0.00 H new ATOM 0 HA SER A 39 11.196 1.707 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.846 -0.767 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.203 -0.306 -1.356 1.00 0.00 H new ATOM 0 HG SER A 39 10.890 -1.939 -0.368 1.00 0.00 H new ATOM 617 N VAL A 40 8.294 0.537 -1.043 1.00 0.00 N ATOM 618 CA VAL A 40 6.848 0.491 -1.303 1.00 0.00 C ATOM 619 C VAL A 40 6.282 1.781 -1.901 1.00 0.00 C ATOM 620 O VAL A 40 5.439 1.717 -2.799 1.00 0.00 O ATOM 621 CB VAL A 40 6.034 0.112 -0.043 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.354 -1.312 0.394 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.285 1.089 1.094 1.00 0.00 C ATOM 0 H VAL A 40 8.586 -0.012 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 40 6.739 -0.294 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 40 4.977 0.167 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.772 -1.560 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.103 -2.004 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.417 -1.392 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.698 0.794 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.344 1.083 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.993 2.092 0.783 1.00 0.00 H new ATOM 633 N GLY A 41 6.729 2.947 -1.423 1.00 0.00 N ATOM 634 CA GLY A 41 6.227 4.205 -1.951 1.00 0.00 C ATOM 635 C GLY A 41 5.847 5.188 -0.854 1.00 0.00 C ATOM 636 O GLY A 41 4.847 5.896 -0.976 1.00 0.00 O ATOM 0 H GLY A 41 7.426 3.039 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.986 4.655 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.356 4.011 -2.578 1.00 0.00 H new ATOM 640 N GLY A 42 6.653 5.243 0.213 1.00 0.00 N ATOM 641 CA GLY A 42 6.365 6.139 1.322 1.00 0.00 C ATOM 642 C GLY A 42 7.452 7.171 1.552 1.00 0.00 C ATOM 643 O GLY A 42 8.447 6.894 2.224 1.00 0.00 O ATOM 0 H GLY A 42 7.498 4.682 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.421 6.650 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.232 5.552 2.231 1.00 0.00 H new ATOM 647 N ASP A 43 7.257 8.360 0.989 1.00 0.00 N ATOM 648 CA ASP A 43 8.190 9.467 1.183 1.00 0.00 C ATOM 649 C ASP A 43 7.727 10.290 2.389 1.00 0.00 C ATOM 650 O ASP A 43 8.259 10.132 3.489 1.00 0.00 O ATOM 651 CB ASP A 43 8.267 10.336 -0.076 1.00 0.00 C ATOM 652 CG ASP A 43 8.914 9.612 -1.242 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.189 8.917 -1.986 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.146 9.737 -1.409 1.00 0.00 O ATOM 0 H ASP A 43 6.459 8.582 0.393 1.00 0.00 H new ATOM 0 HA ASP A 43 9.191 9.077 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.262 10.650 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.833 11.241 0.145 1.00 0.00 H new ATOM 659 N GLY A 44 6.740 11.164 2.182 1.00 0.00 N ATOM 660 CA GLY A 44 6.239 11.992 3.268 1.00 0.00 C ATOM 661 C GLY A 44 4.783 12.369 3.087 1.00 0.00 C ATOM 662 O GLY A 44 3.912 11.852 3.785 1.00 0.00 O ATOM 0 H GLY A 44 6.280 11.312 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.358 11.459 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.840 12.899 3.336 1.00 0.00 H new ATOM 666 N ARG A 45 4.519 13.276 2.150 1.00 0.00 N ATOM 667 CA ARG A 45 3.158 13.716 1.875 1.00 0.00 C ATOM 668 C ARG A 45 2.472 12.742 0.925 1.00 0.00 C ATOM 669 O ARG A 45 2.746 12.732 -0.277 1.00 0.00 O ATOM 670 CB ARG A 45 3.154 15.131 1.288 1.00 0.00 C ATOM 671 CG ARG A 45 3.558 16.211 2.285 1.00 0.00 C ATOM 672 CD ARG A 45 5.050 16.184 2.594 1.00 0.00 C ATOM 673 NE ARG A 45 5.873 16.399 1.400 1.00 0.00 N ATOM 674 CZ ARG A 45 7.185 16.153 1.342 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.833 15.688 2.406 1.00 0.00 N ATOM 676 NH2 ARG A 45 7.853 16.374 0.212 1.00 0.00 N ATOM 0 H ARG A 45 5.231 13.719 1.569 1.00 0.00 H new ATOM 0 HA ARG A 45 2.605 13.736 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.834 15.163 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.157 15.354 0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.289 17.189 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.995 16.078 3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.279 16.952 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.308 15.224 3.042 1.00 0.00 H new ATOM 0 HE ARG A 45 5.416 16.758 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.328 15.516 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.835 15.503 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.363 16.731 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.855 16.187 0.167 1.00 0.00 H new ATOM 690 N MET A 46 1.586 11.914 1.477 1.00 0.00 N ATOM 691 CA MET A 46 0.864 10.920 0.690 1.00 0.00 C ATOM 692 C MET A 46 -0.364 11.535 0.020 1.00 0.00 C ATOM 693 O MET A 46 -0.811 12.621 0.398 1.00 0.00 O ATOM 694 CB MET A 46 0.449 9.753 1.590 1.00 0.00 C ATOM 695 CG MET A 46 -0.113 8.562 0.832 1.00 0.00 C ATOM 696 SD MET A 46 1.059 7.871 -0.351 1.00 0.00 S ATOM 697 CE MET A 46 2.381 7.344 0.733 1.00 0.00 C ATOM 0 H MET A 46 1.352 11.914 2.470 1.00 0.00 H new ATOM 0 HA MET A 46 1.525 10.553 -0.095 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.313 9.428 2.169 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.298 10.104 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.403 7.789 1.543 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.017 8.866 0.305 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.164 6.864 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.795 8.210 1.250 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.991 6.637 1.465 1.00 0.00 H new ATOM 707 N SER A 47 -0.908 10.833 -0.974 1.00 0.00 N ATOM 708 CA SER A 47 -2.080 11.308 -1.697 1.00 0.00 C ATOM 709 C SER A 47 -3.374 10.828 -1.043 1.00 0.00 C ATOM 710 O SER A 47 -4.113 11.622 -0.458 1.00 0.00 O ATOM 711 CB SER A 47 -2.034 10.838 -3.156 1.00 0.00 C ATOM 712 OG SER A 47 -3.082 11.417 -3.915 1.00 0.00 O ATOM 0 H SER A 47 -0.553 9.932 -1.295 1.00 0.00 H new ATOM 0 HA SER A 47 -2.065 12.397 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.073 11.104 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.112 9.751 -3.193 1.00 0.00 H new ATOM 0 HG SER A 47 -3.028 11.102 -4.841 1.00 0.00 H new ATOM 718 N HIS A 48 -3.622 9.519 -1.135 1.00 0.00 N ATOM 719 CA HIS A 48 -4.841 8.898 -0.616 1.00 0.00 C ATOM 720 C HIS A 48 -4.923 7.445 -1.083 1.00 0.00 C ATOM 721 O HIS A 48 -5.125 6.537 -0.274 1.00 0.00 O ATOM 722 CB HIS A 48 -6.076 9.666 -1.111 1.00 0.00 C ATOM 723 CG HIS A 48 -7.380 9.072 -0.670 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.134 9.596 0.360 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.066 7.998 -1.129 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.227 8.868 0.515 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.209 7.895 -0.375 1.00 0.00 N ATOM 0 H HIS A 48 -2.980 8.859 -1.573 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.814 8.927 0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.018 10.695 -0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.055 9.704 -2.200 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.770 7.345 -1.937 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.003 9.041 1.246 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.929 7.181 -0.486 1.00 0.00 H new ATOM 736 N LYS A 49 -4.765 7.233 -2.389 1.00 0.00 N ATOM 737 CA LYS A 49 -4.782 5.896 -2.977 1.00 0.00 C ATOM 738 C LYS A 49 -3.393 5.260 -2.937 1.00 0.00 C ATOM 739 O LYS A 49 -3.263 4.042 -2.799 1.00 0.00 O ATOM 740 CB LYS A 49 -5.248 5.988 -4.431 1.00 0.00 C ATOM 741 CG LYS A 49 -6.746 6.214 -4.587 1.00 0.00 C ATOM 742 CD LYS A 49 -7.561 5.142 -3.873 1.00 0.00 C ATOM 743 CE LYS A 49 -7.264 3.752 -4.419 1.00 0.00 C ATOM 744 NZ LYS A 49 -8.038 2.695 -3.707 1.00 0.00 N ATOM 0 H LYS A 49 -4.622 7.982 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.466 5.275 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.715 6.802 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.973 5.069 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.008 7.194 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.004 6.220 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.341 5.168 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.624 5.358 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.502 3.722 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.198 3.546 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.806 1.764 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.792 2.706 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.056 2.876 -3.818 1.00 0.00 H new ATOM 758 N GLU A 50 -2.359 6.095 -3.058 1.00 0.00 N ATOM 759 CA GLU A 50 -0.972 5.631 -3.063 1.00 0.00 C ATOM 760 C GLU A 50 -0.614 4.858 -1.793 1.00 0.00 C ATOM 761 O GLU A 50 -0.116 3.735 -1.876 1.00 0.00 O ATOM 762 CB GLU A 50 -0.022 6.821 -3.230 1.00 0.00 C ATOM 763 CG GLU A 50 1.447 6.426 -3.299 1.00 0.00 C ATOM 764 CD GLU A 50 2.351 7.582 -3.681 1.00 0.00 C ATOM 765 OE1 GLU A 50 2.418 7.912 -4.884 1.00 0.00 O ATOM 766 OE2 GLU A 50 2.995 8.158 -2.778 1.00 0.00 O ATOM 0 H GLU A 50 -2.459 7.105 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.863 4.947 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.287 7.361 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.165 7.509 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.758 6.032 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.568 5.621 -4.024 1.00 0.00 H new ATOM 773 N ALA A 51 -0.877 5.455 -0.625 1.00 0.00 N ATOM 774 CA ALA A 51 -0.552 4.822 0.660 1.00 0.00 C ATOM 775 C ALA A 51 -0.987 3.363 0.698 1.00 0.00 C ATOM 776 O ALA A 51 -0.170 2.494 1.000 1.00 0.00 O ATOM 777 CB ALA A 51 -1.164 5.593 1.821 1.00 0.00 C ATOM 0 H ALA A 51 -1.313 6.373 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 51 0.533 4.847 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.907 5.102 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.776 6.611 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.248 5.619 1.710 1.00 0.00 H new ATOM 783 N ILE A 52 -2.252 3.073 0.401 1.00 0.00 N ATOM 784 CA ILE A 52 -2.705 1.687 0.447 1.00 0.00 C ATOM 785 C ILE A 52 -1.971 0.865 -0.608 1.00 0.00 C ATOM 786 O ILE A 52 -1.490 -0.233 -0.319 1.00 0.00 O ATOM 787 CB ILE A 52 -4.233 1.562 0.282 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.945 2.373 1.370 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.665 0.101 0.325 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.638 1.910 2.780 1.00 0.00 C ATOM 0 H ILE A 52 -2.961 3.756 0.134 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.468 1.294 1.436 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.513 1.963 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.662 3.421 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.021 2.317 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.747 0.038 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.179 -0.446 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.379 -0.335 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.178 2.532 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.947 0.871 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.567 1.993 2.965 1.00 0.00 H new ATOM 802 N LEU A 53 -1.893 1.393 -1.832 1.00 0.00 N ATOM 803 CA LEU A 53 -1.265 0.670 -2.938 1.00 0.00 C ATOM 804 C LEU A 53 0.146 0.176 -2.595 1.00 0.00 C ATOM 805 O LEU A 53 0.575 -0.865 -3.095 1.00 0.00 O ATOM 806 CB LEU A 53 -1.264 1.516 -4.211 1.00 0.00 C ATOM 807 CG LEU A 53 -0.823 0.799 -5.488 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.823 -0.280 -5.872 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.654 1.799 -6.621 1.00 0.00 C ATOM 0 H LEU A 53 -2.255 2.314 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.868 -0.220 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.270 1.907 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.610 2.373 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 53 0.138 0.319 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.490 -0.777 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.897 -1.010 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.800 0.173 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.340 1.276 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.602 2.304 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.102 2.535 -6.347 1.00 0.00 H new ATOM 821 N LEU A 54 0.869 0.934 -1.757 1.00 0.00 N ATOM 822 CA LEU A 54 2.218 0.561 -1.314 1.00 0.00 C ATOM 823 C LEU A 54 2.325 -0.930 -0.973 1.00 0.00 C ATOM 824 O LEU A 54 3.323 -1.580 -1.293 1.00 0.00 O ATOM 825 CB LEU A 54 2.589 1.377 -0.069 1.00 0.00 C ATOM 826 CG LEU A 54 3.401 2.652 -0.318 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.647 3.614 -1.222 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.743 3.323 1.006 1.00 0.00 C ATOM 0 H LEU A 54 0.536 1.817 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 54 2.901 0.771 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.670 1.651 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.156 0.735 0.606 1.00 0.00 H new ATOM 0 HG LEU A 54 4.326 2.374 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.247 4.510 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.450 3.134 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.702 3.889 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.320 4.228 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.823 3.582 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.330 2.640 1.619 1.00 0.00 H new ATOM 840 N GLY A 55 1.285 -1.451 -0.306 1.00 0.00 N ATOM 841 CA GLY A 55 1.251 -2.849 0.110 1.00 0.00 C ATOM 842 C GLY A 55 1.675 -3.835 -0.966 1.00 0.00 C ATOM 843 O GLY A 55 2.405 -4.782 -0.674 1.00 0.00 O ATOM 0 H GLY A 55 0.456 -0.917 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.901 -2.974 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.239 -3.095 0.433 1.00 0.00 H new ATOM 847 N LEU A 56 1.207 -3.634 -2.200 1.00 0.00 N ATOM 848 CA LEU A 56 1.555 -4.530 -3.308 1.00 0.00 C ATOM 849 C LEU A 56 3.065 -4.770 -3.380 1.00 0.00 C ATOM 850 O LEU A 56 3.507 -5.898 -3.599 1.00 0.00 O ATOM 851 CB LEU A 56 1.054 -3.977 -4.646 1.00 0.00 C ATOM 852 CG LEU A 56 -0.417 -3.546 -4.676 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.865 -3.285 -6.106 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.302 -4.594 -4.016 1.00 0.00 C ATOM 0 H LEU A 56 0.590 -2.864 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 56 1.061 -5.483 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.671 -3.120 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.207 -4.736 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.514 -2.619 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.911 -2.980 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.255 -2.493 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.750 -4.195 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.341 -4.266 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.203 -5.541 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.997 -4.727 -2.978 1.00 0.00 H new ATOM 866 N ARG A 57 3.850 -3.707 -3.200 1.00 0.00 N ATOM 867 CA ARG A 57 5.310 -3.815 -3.235 1.00 0.00 C ATOM 868 C ARG A 57 5.823 -4.677 -2.077 1.00 0.00 C ATOM 869 O ARG A 57 6.793 -5.422 -2.232 1.00 0.00 O ATOM 870 CB ARG A 57 5.952 -2.425 -3.172 1.00 0.00 C ATOM 871 CG ARG A 57 5.562 -1.510 -4.325 1.00 0.00 C ATOM 872 CD ARG A 57 6.036 -2.054 -5.665 1.00 0.00 C ATOM 873 NE ARG A 57 7.496 -2.110 -5.757 1.00 0.00 N ATOM 874 CZ ARG A 57 8.162 -2.423 -6.871 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.506 -2.719 -7.992 1.00 0.00 N ATOM 876 NH2 ARG A 57 9.490 -2.442 -6.865 1.00 0.00 N ATOM 0 H ARG A 57 3.501 -2.764 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 57 5.588 -4.293 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.671 -1.949 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.036 -2.537 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.479 -1.391 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.989 -0.520 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.626 -3.053 -5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.647 -1.427 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 57 8.037 -1.897 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.486 -2.708 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.024 -2.957 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.999 -2.218 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.000 -2.681 -7.715 1.00 0.00 H new ATOM 890 N TYR A 58 5.163 -4.568 -0.923 1.00 0.00 N ATOM 891 CA TYR A 58 5.531 -5.339 0.266 1.00 0.00 C ATOM 892 C TYR A 58 5.295 -6.835 0.046 1.00 0.00 C ATOM 893 O TYR A 58 6.184 -7.657 0.270 1.00 0.00 O ATOM 894 CB TYR A 58 4.717 -4.860 1.474 1.00 0.00 C ATOM 895 CG TYR A 58 5.078 -5.546 2.775 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.093 -5.050 3.581 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.403 -6.685 3.195 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.426 -5.668 4.771 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.730 -7.310 4.384 1.00 0.00 C ATOM 900 CZ TYR A 58 5.743 -6.798 5.168 1.00 0.00 C ATOM 901 OH TYR A 58 6.074 -7.415 6.354 1.00 0.00 O ATOM 0 H TYR A 58 4.365 -3.948 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 58 6.593 -5.182 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.859 -3.786 1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.658 -5.022 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.632 -4.166 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.610 -7.089 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.218 -5.268 5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.195 -8.194 4.697 1.00 0.00 H new ATOM 0 HH TYR A 58 5.498 -8.196 6.488 1.00 0.00 H new ATOM 911 N LYS A 59 4.082 -7.166 -0.402 1.00 0.00 N ATOM 912 CA LYS A 59 3.689 -8.549 -0.663 1.00 0.00 C ATOM 913 C LYS A 59 4.288 -9.088 -1.967 1.00 0.00 C ATOM 914 O LYS A 59 4.252 -10.295 -2.213 1.00 0.00 O ATOM 915 CB LYS A 59 2.163 -8.647 -0.721 1.00 0.00 C ATOM 916 CG LYS A 59 1.484 -8.336 0.606 1.00 0.00 C ATOM 917 CD LYS A 59 1.897 -9.322 1.688 1.00 0.00 C ATOM 918 CE LYS A 59 1.357 -8.917 3.050 1.00 0.00 C ATOM 919 NZ LYS A 59 1.744 -9.886 4.113 1.00 0.00 N ATOM 0 H LYS A 59 3.348 -6.484 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 59 4.077 -9.159 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.791 -7.959 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.883 -9.652 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.740 -7.323 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.402 -8.367 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.532 -10.317 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.985 -9.382 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.731 -7.926 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.270 -8.845 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.356 -9.573 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.366 -10.826 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.781 -9.936 4.176 1.00 0.00 H new ATOM 933 N LYS A 60 4.834 -8.192 -2.799 1.00 0.00 N ATOM 934 CA LYS A 60 5.438 -8.577 -4.075 1.00 0.00 C ATOM 935 C LYS A 60 4.373 -9.076 -5.054 1.00 0.00 C ATOM 936 O LYS A 60 4.320 -10.264 -5.385 1.00 0.00 O ATOM 937 CB LYS A 60 6.518 -9.646 -3.868 1.00 0.00 C ATOM 938 CG LYS A 60 7.551 -9.277 -2.812 1.00 0.00 C ATOM 939 CD LYS A 60 8.705 -10.267 -2.785 1.00 0.00 C ATOM 940 CE LYS A 60 8.236 -11.668 -2.419 1.00 0.00 C ATOM 941 NZ LYS A 60 9.365 -12.637 -2.358 1.00 0.00 N ATOM 0 H LYS A 60 4.868 -7.191 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 60 5.909 -7.692 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.039 -10.583 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.027 -9.823 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.934 -8.276 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.075 -9.246 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.189 -10.289 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.453 -9.934 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.730 -11.640 -1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.505 -12.009 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.001 -13.578 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.833 -12.684 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.050 -12.327 -1.640 1.00 0.00 H new ATOM 955 N LEU A 61 3.523 -8.154 -5.505 1.00 0.00 N ATOM 956 CA LEU A 61 2.456 -8.490 -6.453 1.00 0.00 C ATOM 957 C LEU A 61 1.811 -7.241 -7.069 1.00 0.00 C ATOM 958 O LEU A 61 0.633 -7.262 -7.428 1.00 0.00 O ATOM 959 CB LEU A 61 1.391 -9.363 -5.770 1.00 0.00 C ATOM 960 CG LEU A 61 1.103 -9.028 -4.298 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.686 -7.575 -4.142 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.029 -9.950 -3.743 1.00 0.00 C ATOM 0 H LEU A 61 3.550 -7.172 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 61 2.912 -9.052 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.461 -9.277 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.706 -10.405 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 61 2.021 -9.180 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.488 -7.364 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.487 -6.926 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.216 -7.391 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.163 -9.699 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.888 -9.829 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.367 -10.984 -3.811 1.00 0.00 H new ATOM 974 N TYR A 62 2.586 -6.165 -7.215 1.00 0.00 N ATOM 975 CA TYR A 62 2.079 -4.920 -7.799 1.00 0.00 C ATOM 976 C TYR A 62 1.564 -5.129 -9.233 1.00 0.00 C ATOM 977 O TYR A 62 0.751 -4.342 -9.725 1.00 0.00 O ATOM 978 CB TYR A 62 3.180 -3.853 -7.791 1.00 0.00 C ATOM 979 CG TYR A 62 2.722 -2.491 -8.263 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.130 -1.594 -7.385 1.00 0.00 C ATOM 981 CD2 TYR A 62 2.881 -2.103 -9.589 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.709 -0.349 -7.811 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.463 -0.860 -10.023 1.00 0.00 C ATOM 984 CZ TYR A 62 1.877 0.013 -9.130 1.00 0.00 C ATOM 985 OH TYR A 62 1.459 1.253 -9.556 1.00 0.00 O ATOM 0 H TYR A 62 3.567 -6.130 -6.937 1.00 0.00 H new ATOM 0 HA TYR A 62 1.239 -4.587 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.575 -3.761 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.001 -4.188 -8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.996 -1.874 -6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.339 -2.785 -10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.251 0.337 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.594 -0.573 -11.056 1.00 0.00 H new ATOM 0 HH TYR A 62 1.651 1.352 -10.512 1.00 0.00 H new ATOM 995 N ASN A 63 2.031 -6.193 -9.892 1.00 0.00 N ATOM 996 CA ASN A 63 1.636 -6.492 -11.270 1.00 0.00 C ATOM 997 C ASN A 63 0.141 -6.803 -11.407 1.00 0.00 C ATOM 998 O ASN A 63 -0.600 -6.030 -12.016 1.00 0.00 O ATOM 999 CB ASN A 63 2.459 -7.665 -11.813 1.00 0.00 C ATOM 1000 CG ASN A 63 3.937 -7.337 -11.924 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.699 -7.531 -10.976 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.351 -6.841 -13.085 1.00 0.00 N ATOM 0 H ASN A 63 2.686 -6.864 -9.491 1.00 0.00 H new ATOM 0 HA ASN A 63 1.834 -5.594 -11.855 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.330 -8.528 -11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.078 -7.948 -12.794 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.334 -6.605 -13.217 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.685 -6.696 -13.844 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.300 -7.931 -10.840 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.703 -8.344 -10.952 1.00 0.00 C ATOM 1011 C GLN A 64 -2.558 -7.908 -9.759 1.00 0.00 C ATOM 1012 O GLN A 64 -3.773 -8.095 -9.795 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.797 -9.861 -11.129 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.594 -10.326 -12.564 1.00 0.00 C ATOM 1015 CD GLN A 64 -0.209 -10.008 -13.097 1.00 0.00 C ATOM 1016 OE1 GLN A 64 0.012 -8.955 -13.695 1.00 0.00 O ATOM 1017 NE2 GLN A 64 0.736 -10.917 -12.878 1.00 0.00 N ATOM 0 H GLN A 64 0.288 -8.569 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.103 -7.839 -11.831 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.051 -10.338 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.774 -10.198 -10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.761 -11.402 -12.619 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.341 -9.854 -13.203 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.510 -11.777 -12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.687 -10.755 -13.210 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.975 -7.334 -8.714 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.774 -6.932 -7.554 1.00 0.00 C ATOM 1028 C ALA A 65 -3.620 -5.692 -7.846 1.00 0.00 C ATOM 1029 O ALA A 65 -4.765 -5.597 -7.399 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.886 -6.692 -6.347 1.00 0.00 C ATOM 0 H ALA A 65 -0.977 -7.138 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.456 -7.753 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.500 -6.394 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.348 -7.608 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.171 -5.901 -6.573 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.055 -4.747 -8.599 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.760 -3.512 -8.943 1.00 0.00 C ATOM 1038 C ARG A 66 -4.821 -3.740 -10.029 1.00 0.00 C ATOM 1039 O ARG A 66 -5.765 -2.957 -10.148 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.758 -2.447 -9.404 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.327 -1.037 -9.404 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.255 0.003 -9.697 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.796 -0.051 -11.086 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.394 1.014 -11.786 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.388 2.227 -11.236 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.992 0.864 -13.044 1.00 0.00 N ATOM 0 H ARG A 66 -2.112 -4.813 -8.982 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.275 -3.166 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.883 -2.477 -8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.416 -2.692 -10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.118 -0.964 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.782 -0.828 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.648 0.997 -9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.407 -0.154 -9.030 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.782 -0.960 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.692 2.351 -10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.079 3.032 -11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.991 -0.062 -13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.685 1.675 -13.581 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.666 -4.811 -10.816 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.618 -5.121 -11.886 1.00 0.00 C ATOM 1062 C VAL A 67 -6.693 -6.110 -11.426 1.00 0.00 C ATOM 1063 O VAL A 67 -7.869 -5.953 -11.760 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.912 -5.689 -13.142 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.909 -4.688 -13.693 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.232 -7.019 -12.838 1.00 0.00 C ATOM 0 H VAL A 67 -3.895 -5.473 -10.732 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.094 -4.175 -12.145 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.673 -5.868 -13.901 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.424 -5.107 -14.575 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.426 -3.768 -13.965 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.157 -4.471 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.745 -7.393 -13.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.487 -6.876 -12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.977 -7.740 -12.502 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.286 -7.125 -10.659 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.217 -8.141 -10.163 1.00 0.00 C ATOM 1078 C LYS A 68 -8.170 -7.569 -9.115 1.00 0.00 C ATOM 1079 O LYS A 68 -9.320 -8.000 -9.018 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.454 -9.330 -9.574 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.668 -10.128 -10.606 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.582 -10.770 -11.637 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.786 -11.532 -12.687 1.00 0.00 C ATOM 1084 NZ LYS A 68 -6.666 -12.124 -13.733 1.00 0.00 N ATOM 0 H LYS A 68 -5.318 -7.265 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.810 -8.479 -11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.767 -8.966 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.162 -9.994 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.957 -9.472 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.088 -10.901 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.274 -11.449 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.183 -10.001 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.067 -10.860 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.214 -12.324 -12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.084 -12.634 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.335 -12.785 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.194 -11.367 -14.212 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.687 -6.609 -8.327 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.506 -5.984 -7.292 1.00 0.00 C ATOM 1100 C TYR A 69 -8.796 -4.522 -7.622 1.00 0.00 C ATOM 1101 O TYR A 69 -8.113 -3.912 -8.449 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.815 -6.097 -5.933 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.923 -7.475 -5.320 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.974 -8.453 -5.584 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.983 -7.797 -4.482 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.076 -9.714 -5.030 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -9.091 -9.054 -3.922 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.137 -10.010 -4.198 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.246 -11.267 -3.644 1.00 0.00 O ATOM 0 H TYR A 69 -6.735 -6.249 -8.386 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.459 -6.512 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.762 -5.839 -6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.251 -5.368 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.142 -8.224 -6.233 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.734 -7.052 -4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.330 -10.464 -5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.920 -9.288 -3.270 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.627 -11.196 -2.744 1.00 0.00 H new ATOM 1119 N SER A 70 -9.816 -3.966 -6.968 1.00 0.00 N ATOM 1120 CA SER A 70 -10.215 -2.579 -7.192 1.00 0.00 C ATOM 1121 C SER A 70 -9.270 -1.602 -6.490 1.00 0.00 C ATOM 1122 O SER A 70 -9.465 -1.261 -5.320 1.00 0.00 O ATOM 1123 CB SER A 70 -11.654 -2.354 -6.719 1.00 0.00 C ATOM 1124 OG SER A 70 -12.099 -1.045 -7.033 1.00 0.00 O ATOM 0 H SER A 70 -10.382 -4.458 -6.277 1.00 0.00 H new ATOM 0 HA SER A 70 -10.158 -2.388 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.312 -3.086 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.715 -2.513 -5.642 1.00 0.00 H new ATOM 0 HG SER A 70 -13.021 -0.929 -6.721 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.237 -1.170 -7.213 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.261 -0.218 -6.689 1.00 0.00 C ATOM 1132 C LEU A 71 -7.160 0.985 -7.623 1.00 0.00 C ATOM 1133 O LEU A 71 -7.587 2.088 -7.280 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.882 -0.877 -6.527 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.762 -1.899 -5.391 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.458 -3.202 -5.753 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.299 -2.153 -5.062 1.00 0.00 C ATOM 0 H LEU A 71 -8.055 -1.468 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.596 0.114 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.624 -1.371 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.142 -0.093 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.254 -1.487 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.357 -3.909 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.515 -3.010 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.001 -3.622 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.229 -2.881 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.790 -2.541 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.828 -1.220 -4.752 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.591 0.756 -8.808 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.437 1.801 -9.820 1.00 0.00 C ATOM 1151 C LEU A 72 -6.960 1.313 -11.172 1.00 0.00 C ATOM 1152 O LEU A 72 -7.726 2.011 -11.839 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.967 2.225 -9.958 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.397 3.079 -8.815 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -5.286 4.285 -8.542 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.216 2.250 -7.549 1.00 0.00 C ATOM 0 H LEU A 72 -6.226 -0.153 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.018 2.665 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.358 1.326 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.857 2.781 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.417 3.440 -9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.861 4.874 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.351 4.900 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.283 3.946 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.811 2.880 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.180 1.848 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.527 1.429 -7.747 1.00 0.00 H new ATOM 1168 N GLU A 73 -6.541 0.107 -11.564 1.00 0.00 N ATOM 1169 CA GLU A 73 -6.961 -0.487 -12.831 1.00 0.00 C ATOM 1170 C GLU A 73 -8.175 -1.395 -12.630 1.00 0.00 C ATOM 1171 O GLU A 73 -8.008 -2.503 -12.072 1.00 0.00 O ATOM 1172 CB GLU A 73 -5.805 -1.280 -13.453 1.00 0.00 C ATOM 1173 CG GLU A 73 -4.536 -0.463 -13.637 1.00 0.00 C ATOM 1174 CD GLU A 73 -3.385 -1.286 -14.186 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -2.646 -1.886 -13.377 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -3.223 -1.329 -15.424 1.00 0.00 O ATOM 0 H GLU A 73 -5.908 -0.478 -11.018 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.244 0.318 -13.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.585 -2.141 -12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.121 -1.668 -14.421 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.738 0.368 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.245 -0.031 -12.680 1.00 0.00 H new TER 1183 GLU A 73