USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot 171:sc= 0.233 USER MOD Set 1.2: A 75 SER OG : rot 107:sc= 0.247 USER MOD Set 2.1: A 64 ASN : amide:sc= -0.98 K(o=0.17,f=0.98) USER MOD Set 2.2: A 83 SER OG : rot 57:sc= 1.15 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 58:sc= 1.2 USER MOD Single : A 8 SER OG : rot 180:sc= -0.183 USER MOD Single : A 12 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00112 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.0013) USER MOD Single : A 41 SER OG : rot 180:sc= -0.232 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -105:sc= 1.08 USER MOD Single : A 48 SER OG : rot 120:sc= -0.566 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.924 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -83:sc= 0.351 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 70 SER OG : rot 47:sc= 1.15 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -115:sc= -1.8 (180deg=-4.02!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -34:sc= 0.576 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.948 K(o=-0.95,f=-2.2) USER MOD Single : A 88 MET CE :methyl 176:sc= -6.02! (180deg=-6.28!) USER MOD Single : A 89 MET CE :methyl -128:sc= -2.15! (180deg=-4.71!) USER MOD Single : A 93 MET CE :methyl -150:sc= -0.124 (180deg=-0.607) USER MOD Single : A 95 SER OG : rot 71:sc= 0.0603 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 61:sc= 0.121 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.517 4.601 -20.827 1.00 0.00 N ATOM 2 CA GLY A 1 -14.477 3.398 -20.013 1.00 0.00 C ATOM 3 C GLY A 1 -13.429 2.415 -20.539 1.00 0.00 C ATOM 4 O GLY A 1 -13.474 2.018 -21.702 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.235 5.252 -20.450 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.586 5.064 -20.808 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.758 4.349 -21.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.248 3.661 -18.980 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.458 2.923 -20.011 1.00 0.00 H new ATOM 8 N SER A 2 -12.511 2.051 -19.656 1.00 0.00 N ATOM 9 CA SER A 2 -11.453 1.122 -20.016 1.00 0.00 C ATOM 10 C SER A 2 -12.047 -0.256 -20.315 1.00 0.00 C ATOM 11 O SER A 2 -13.219 -0.505 -20.038 1.00 0.00 O ATOM 12 CB SER A 2 -10.407 1.020 -18.904 1.00 0.00 C ATOM 13 OG SER A 2 -9.396 2.015 -19.030 1.00 0.00 O ATOM 0 H SER A 2 -12.478 2.383 -18.692 1.00 0.00 H new ATOM 0 HA SER A 2 -10.956 1.499 -20.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.897 1.121 -17.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.948 0.032 -18.928 1.00 0.00 H new ATOM 0 HG SER A 2 -8.748 1.918 -18.301 1.00 0.00 H new ATOM 19 N SER A 3 -11.210 -1.117 -20.876 1.00 0.00 N ATOM 20 CA SER A 3 -11.637 -2.463 -21.216 1.00 0.00 C ATOM 21 C SER A 3 -10.417 -3.348 -21.481 1.00 0.00 C ATOM 22 O SER A 3 -9.347 -2.849 -21.824 1.00 0.00 O ATOM 23 CB SER A 3 -12.563 -2.457 -22.434 1.00 0.00 C ATOM 24 OG SER A 3 -11.850 -2.224 -23.645 1.00 0.00 O ATOM 0 H SER A 3 -10.238 -0.908 -21.103 1.00 0.00 H new ATOM 0 HA SER A 3 -12.195 -2.868 -20.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.084 -3.412 -22.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.324 -1.687 -22.307 1.00 0.00 H new ATOM 0 HG SER A 3 -12.476 -2.229 -24.399 1.00 0.00 H new ATOM 30 N GLY A 4 -10.620 -4.647 -21.311 1.00 0.00 N ATOM 31 CA GLY A 4 -9.550 -5.605 -21.527 1.00 0.00 C ATOM 32 C GLY A 4 -9.704 -6.302 -22.881 1.00 0.00 C ATOM 33 O GLY A 4 -10.635 -6.013 -23.630 1.00 0.00 O ATOM 0 H GLY A 4 -11.509 -5.057 -21.026 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.587 -5.096 -21.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.555 -6.347 -20.729 1.00 0.00 H new ATOM 37 N SER A 5 -8.775 -7.208 -23.153 1.00 0.00 N ATOM 38 CA SER A 5 -8.796 -7.948 -24.403 1.00 0.00 C ATOM 39 C SER A 5 -9.139 -9.415 -24.137 1.00 0.00 C ATOM 40 O SER A 5 -10.115 -9.936 -24.675 1.00 0.00 O ATOM 41 CB SER A 5 -7.454 -7.841 -25.130 1.00 0.00 C ATOM 42 OG SER A 5 -7.555 -8.227 -26.497 1.00 0.00 O ATOM 0 H SER A 5 -8.004 -7.446 -22.529 1.00 0.00 H new ATOM 0 HA SER A 5 -9.562 -7.512 -25.045 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.089 -6.816 -25.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.719 -8.471 -24.629 1.00 0.00 H new ATOM 0 HG SER A 5 -6.678 -8.143 -26.926 1.00 0.00 H new ATOM 48 N SER A 6 -8.318 -10.040 -23.306 1.00 0.00 N ATOM 49 CA SER A 6 -8.522 -11.437 -22.962 1.00 0.00 C ATOM 50 C SER A 6 -7.373 -11.933 -22.081 1.00 0.00 C ATOM 51 O SER A 6 -6.233 -11.499 -22.241 1.00 0.00 O ATOM 52 CB SER A 6 -8.640 -12.303 -24.218 1.00 0.00 C ATOM 53 OG SER A 6 -9.998 -12.547 -24.573 1.00 0.00 O ATOM 0 H SER A 6 -7.510 -9.605 -22.861 1.00 0.00 H new ATOM 0 HA SER A 6 -9.457 -11.519 -22.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.132 -11.810 -25.047 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.132 -13.253 -24.052 1.00 0.00 H new ATOM 0 HG SER A 6 -10.457 -11.693 -24.717 1.00 0.00 H new ATOM 59 N GLY A 7 -7.713 -12.834 -21.172 1.00 0.00 N ATOM 60 CA GLY A 7 -6.724 -13.393 -20.266 1.00 0.00 C ATOM 61 C GLY A 7 -7.373 -13.844 -18.956 1.00 0.00 C ATOM 62 O GLY A 7 -8.519 -13.498 -18.675 1.00 0.00 O ATOM 0 H GLY A 7 -8.660 -13.191 -21.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.228 -14.240 -20.741 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.955 -12.649 -20.058 1.00 0.00 H new ATOM 66 N SER A 8 -6.611 -14.611 -18.189 1.00 0.00 N ATOM 67 CA SER A 8 -7.098 -15.114 -16.916 1.00 0.00 C ATOM 68 C SER A 8 -6.644 -14.192 -15.782 1.00 0.00 C ATOM 69 O SER A 8 -7.464 -13.718 -14.997 1.00 0.00 O ATOM 70 CB SER A 8 -6.612 -16.542 -16.665 1.00 0.00 C ATOM 71 OG SER A 8 -5.189 -16.622 -16.622 1.00 0.00 O ATOM 0 H SER A 8 -5.660 -14.896 -18.425 1.00 0.00 H new ATOM 0 HA SER A 8 -8.187 -15.131 -16.949 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.024 -16.905 -15.723 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.988 -17.197 -17.451 1.00 0.00 H new ATOM 0 HG SER A 8 -4.918 -17.550 -16.458 1.00 0.00 H new ATOM 77 N ASP A 9 -5.340 -13.966 -15.732 1.00 0.00 N ATOM 78 CA ASP A 9 -4.767 -13.109 -14.707 1.00 0.00 C ATOM 79 C ASP A 9 -5.530 -11.784 -14.672 1.00 0.00 C ATOM 80 O ASP A 9 -5.843 -11.215 -15.717 1.00 0.00 O ATOM 81 CB ASP A 9 -3.298 -12.802 -15.004 1.00 0.00 C ATOM 82 CG ASP A 9 -2.388 -14.027 -15.100 1.00 0.00 C ATOM 83 OD1 ASP A 9 -2.824 -15.010 -15.737 1.00 0.00 O ATOM 84 OD2 ASP A 9 -1.276 -13.954 -14.534 1.00 0.00 O ATOM 0 H ASP A 9 -4.663 -14.361 -16.385 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.840 -13.629 -13.752 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.240 -12.251 -15.943 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.915 -12.144 -14.224 1.00 0.00 H new ATOM 89 N ILE A 10 -5.808 -11.329 -13.459 1.00 0.00 N ATOM 90 CA ILE A 10 -6.528 -10.081 -13.274 1.00 0.00 C ATOM 91 C ILE A 10 -5.814 -9.237 -12.216 1.00 0.00 C ATOM 92 O ILE A 10 -5.046 -9.763 -11.412 1.00 0.00 O ATOM 93 CB ILE A 10 -7.999 -10.354 -12.953 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.687 -11.082 -14.110 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.727 -9.062 -12.575 1.00 0.00 C ATOM 96 CD1 ILE A 10 -10.151 -10.654 -14.233 1.00 0.00 C ATOM 0 H ILE A 10 -5.547 -11.803 -12.594 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.529 -9.501 -14.197 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.042 -11.013 -12.086 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.163 -10.869 -15.042 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.631 -12.159 -13.951 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.770 -9.284 -12.352 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.254 -8.621 -11.697 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.676 -8.359 -13.406 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.617 -11.186 -15.063 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.678 -10.890 -13.309 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.202 -9.581 -14.416 1.00 0.00 H new ATOM 108 N ILE A 11 -6.093 -7.942 -12.252 1.00 0.00 N ATOM 109 CA ILE A 11 -5.486 -7.020 -11.306 1.00 0.00 C ATOM 110 C ILE A 11 -6.340 -6.963 -10.037 1.00 0.00 C ATOM 111 O ILE A 11 -7.559 -7.116 -10.098 1.00 0.00 O ATOM 112 CB ILE A 11 -5.262 -5.654 -11.958 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.029 -5.675 -12.863 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.181 -4.550 -10.903 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.753 -5.425 -12.057 1.00 0.00 C ATOM 0 H ILE A 11 -6.731 -7.510 -12.921 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.498 -7.373 -11.011 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.121 -5.431 -12.590 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.961 -6.638 -13.369 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.129 -4.915 -13.638 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.021 -3.589 -11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.112 -4.518 -10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.352 -4.754 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.891 -5.445 -12.724 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.814 -4.451 -11.572 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.643 -6.201 -11.299 1.00 0.00 H new ATOM 127 N HIS A 12 -5.665 -6.744 -8.918 1.00 0.00 N ATOM 128 CA HIS A 12 -6.346 -6.665 -7.637 1.00 0.00 C ATOM 129 C HIS A 12 -6.420 -5.206 -7.184 1.00 0.00 C ATOM 130 O HIS A 12 -5.482 -4.439 -7.395 1.00 0.00 O ATOM 131 CB HIS A 12 -5.671 -7.573 -6.607 1.00 0.00 C ATOM 132 CG HIS A 12 -5.880 -9.047 -6.857 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.033 -9.967 -5.834 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.959 -9.751 -8.023 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.196 -11.167 -6.372 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.149 -11.031 -7.728 1.00 0.00 N ATOM 0 H HIS A 12 -4.654 -6.619 -8.872 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.368 -7.028 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.601 -7.364 -6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.051 -7.326 -5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.880 -9.337 -9.017 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.341 -12.091 -5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.244 -11.788 -8.404 1.00 0.00 H new ATOM 144 N SER A 13 -7.544 -4.866 -6.570 1.00 0.00 N ATOM 145 CA SER A 13 -7.752 -3.513 -6.085 1.00 0.00 C ATOM 146 C SER A 13 -7.741 -3.497 -4.555 1.00 0.00 C ATOM 147 O SER A 13 -8.489 -4.238 -3.918 1.00 0.00 O ATOM 148 CB SER A 13 -9.067 -2.935 -6.613 1.00 0.00 C ATOM 149 OG SER A 13 -9.660 -3.773 -7.602 1.00 0.00 O ATOM 0 H SER A 13 -8.320 -5.505 -6.397 1.00 0.00 H new ATOM 0 HA SER A 13 -6.938 -2.889 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.763 -2.803 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.885 -1.947 -7.037 1.00 0.00 H new ATOM 0 HG SER A 13 -10.498 -3.370 -7.912 1.00 0.00 H new ATOM 155 N VAL A 14 -6.886 -2.645 -4.010 1.00 0.00 N ATOM 156 CA VAL A 14 -6.768 -2.523 -2.567 1.00 0.00 C ATOM 157 C VAL A 14 -6.471 -1.067 -2.205 1.00 0.00 C ATOM 158 O VAL A 14 -5.784 -0.367 -2.947 1.00 0.00 O ATOM 159 CB VAL A 14 -5.710 -3.498 -2.044 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.376 -3.296 -2.764 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.542 -3.363 -0.529 1.00 0.00 C ATOM 0 H VAL A 14 -6.268 -2.032 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.707 -2.793 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.054 -4.511 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.642 -4.001 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.510 -3.466 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.024 -2.277 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.785 -4.066 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.231 -2.347 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.490 -3.579 -0.037 1.00 0.00 H new ATOM 171 N ARG A 15 -7.002 -0.654 -1.064 1.00 0.00 N ATOM 172 CA ARG A 15 -6.803 0.706 -0.594 1.00 0.00 C ATOM 173 C ARG A 15 -6.202 0.699 0.813 1.00 0.00 C ATOM 174 O ARG A 15 -6.904 0.447 1.791 1.00 0.00 O ATOM 175 CB ARG A 15 -8.122 1.482 -0.574 1.00 0.00 C ATOM 176 CG ARG A 15 -8.467 2.012 -1.967 1.00 0.00 C ATOM 177 CD ARG A 15 -9.542 3.098 -1.889 1.00 0.00 C ATOM 178 NE ARG A 15 -10.780 2.634 -2.554 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.702 1.858 -1.969 1.00 0.00 C ATOM 180 NH1 ARG A 15 -11.531 1.454 -0.702 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.794 1.485 -2.649 1.00 0.00 N ATOM 0 H ARG A 15 -7.570 -1.238 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.117 1.197 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.924 0.835 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.049 2.313 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.571 2.415 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.817 1.193 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.749 3.342 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.184 4.011 -2.365 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.941 2.923 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.699 1.738 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.233 0.863 -0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.924 1.792 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.496 0.894 -2.203 1.00 0.00 H new ATOM 195 N VAL A 16 -4.908 0.980 0.871 1.00 0.00 N ATOM 196 CA VAL A 16 -4.205 1.009 2.142 1.00 0.00 C ATOM 197 C VAL A 16 -4.073 2.458 2.614 1.00 0.00 C ATOM 198 O VAL A 16 -4.138 3.386 1.808 1.00 0.00 O ATOM 199 CB VAL A 16 -2.856 0.298 2.010 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.006 0.498 3.267 1.00 0.00 C ATOM 201 CG2 VAL A 16 -3.048 -1.189 1.709 1.00 0.00 C ATOM 0 H VAL A 16 -4.329 1.190 0.058 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.769 0.469 2.903 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.323 0.744 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.053 -0.017 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.827 1.562 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.532 0.091 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.074 -1.671 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.611 -1.654 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.596 -1.303 0.774 1.00 0.00 H new ATOM 211 N GLU A 17 -3.891 2.608 3.918 1.00 0.00 N ATOM 212 CA GLU A 17 -3.750 3.929 4.507 1.00 0.00 C ATOM 213 C GLU A 17 -2.369 4.079 5.149 1.00 0.00 C ATOM 214 O GLU A 17 -1.754 3.090 5.544 1.00 0.00 O ATOM 215 CB GLU A 17 -4.860 4.198 5.524 1.00 0.00 C ATOM 216 CG GLU A 17 -4.701 3.307 6.758 1.00 0.00 C ATOM 217 CD GLU A 17 -5.348 3.950 7.986 1.00 0.00 C ATOM 218 OE1 GLU A 17 -6.593 4.060 7.979 1.00 0.00 O ATOM 219 OE2 GLU A 17 -4.583 4.316 8.904 1.00 0.00 O ATOM 0 H GLU A 17 -3.838 1.837 4.583 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.843 4.671 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.838 5.246 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.831 4.018 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.156 2.335 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.643 3.131 6.950 1.00 0.00 H new ATOM 226 N LYS A 18 -1.924 5.324 5.235 1.00 0.00 N ATOM 227 CA LYS A 18 -0.627 5.616 5.823 1.00 0.00 C ATOM 228 C LYS A 18 -0.716 5.465 7.343 1.00 0.00 C ATOM 229 O LYS A 18 -1.803 5.285 7.890 1.00 0.00 O ATOM 230 CB LYS A 18 -0.131 6.990 5.369 1.00 0.00 C ATOM 231 CG LYS A 18 -0.774 8.106 6.195 1.00 0.00 C ATOM 232 CD LYS A 18 -0.352 9.483 5.679 1.00 0.00 C ATOM 233 CE LYS A 18 -0.677 10.574 6.701 1.00 0.00 C ATOM 234 NZ LYS A 18 0.567 11.191 7.214 1.00 0.00 N ATOM 0 H LYS A 18 -2.438 6.142 4.908 1.00 0.00 H new ATOM 0 HA LYS A 18 0.120 4.902 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.954 7.039 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.363 7.134 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.859 8.015 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.485 8.002 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.717 9.484 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.863 9.696 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.305 11.337 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.246 10.149 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.328 11.929 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.152 10.463 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.096 11.614 6.425 1.00 0.00 H new ATOM 248 N SER A 19 0.442 5.544 7.981 1.00 0.00 N ATOM 249 CA SER A 19 0.509 5.418 9.427 1.00 0.00 C ATOM 250 C SER A 19 1.570 6.368 9.987 1.00 0.00 C ATOM 251 O SER A 19 2.688 6.424 9.479 1.00 0.00 O ATOM 252 CB SER A 19 0.816 3.977 9.841 1.00 0.00 C ATOM 253 OG SER A 19 2.216 3.712 9.854 1.00 0.00 O ATOM 0 H SER A 19 1.341 5.694 7.524 1.00 0.00 H new ATOM 0 HA SER A 19 -0.464 5.687 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.402 3.788 10.832 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.323 3.289 9.154 1.00 0.00 H new ATOM 0 HG SER A 19 2.371 2.783 10.125 1.00 0.00 H new ATOM 259 N PRO A 20 1.170 7.111 11.054 1.00 0.00 N ATOM 260 CA PRO A 20 2.074 8.057 11.687 1.00 0.00 C ATOM 261 C PRO A 20 3.117 7.331 12.540 1.00 0.00 C ATOM 262 O PRO A 20 2.866 7.021 13.703 1.00 0.00 O ATOM 263 CB PRO A 20 1.175 8.974 12.501 1.00 0.00 C ATOM 264 CG PRO A 20 -0.140 8.230 12.666 1.00 0.00 C ATOM 265 CD PRO A 20 -0.147 7.072 11.682 1.00 0.00 C ATOM 0 HA PRO A 20 2.657 8.630 10.966 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.621 9.198 13.470 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.024 9.926 11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.246 7.864 13.687 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.982 8.896 12.477 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.316 6.122 12.190 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.941 7.184 10.944 1.00 0.00 H new ATOM 273 N ALA A 21 4.265 7.082 11.927 1.00 0.00 N ATOM 274 CA ALA A 21 5.347 6.398 12.615 1.00 0.00 C ATOM 275 C ALA A 21 6.522 6.215 11.652 1.00 0.00 C ATOM 276 O ALA A 21 7.620 6.708 11.907 1.00 0.00 O ATOM 277 CB ALA A 21 4.838 5.068 13.173 1.00 0.00 C ATOM 0 H ALA A 21 4.469 7.341 10.962 1.00 0.00 H new ATOM 0 HA ALA A 21 5.701 6.991 13.459 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.650 4.555 13.689 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.024 5.255 13.873 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.477 4.445 12.355 1.00 0.00 H new ATOM 283 N GLY A 22 6.252 5.506 10.567 1.00 0.00 N ATOM 284 CA GLY A 22 7.273 5.252 9.565 1.00 0.00 C ATOM 285 C GLY A 22 7.415 3.752 9.295 1.00 0.00 C ATOM 286 O GLY A 22 8.514 3.206 9.372 1.00 0.00 O ATOM 0 H GLY A 22 5.340 5.099 10.359 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.017 5.769 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.227 5.656 9.902 1.00 0.00 H new ATOM 290 N ARG A 23 6.288 3.130 8.984 1.00 0.00 N ATOM 291 CA ARG A 23 6.273 1.705 8.702 1.00 0.00 C ATOM 292 C ARG A 23 4.889 1.276 8.209 1.00 0.00 C ATOM 293 O ARG A 23 3.986 1.040 9.011 1.00 0.00 O ATOM 294 CB ARG A 23 6.637 0.893 9.947 1.00 0.00 C ATOM 295 CG ARG A 23 7.771 -0.090 9.648 1.00 0.00 C ATOM 296 CD ARG A 23 8.671 -0.277 10.871 1.00 0.00 C ATOM 297 NE ARG A 23 8.860 -1.719 11.145 1.00 0.00 N ATOM 298 CZ ARG A 23 9.429 -2.205 12.256 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.869 -1.366 13.204 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.559 -3.528 12.420 1.00 0.00 N ATOM 0 H ARG A 23 5.378 3.587 8.921 1.00 0.00 H new ATOM 0 HA ARG A 23 7.015 1.513 7.927 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.937 1.566 10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.761 0.348 10.299 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.354 -1.052 9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.363 0.276 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.637 0.198 10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.226 0.211 11.738 1.00 0.00 H new ATOM 0 HE ARG A 23 8.536 -2.385 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.770 -0.358 13.079 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.302 -1.735 14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.225 -4.167 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.992 -3.897 13.266 1.00 0.00 H new ATOM 314 N LEU A 24 4.766 1.188 6.893 1.00 0.00 N ATOM 315 CA LEU A 24 3.508 0.791 6.284 1.00 0.00 C ATOM 316 C LEU A 24 2.937 -0.411 7.039 1.00 0.00 C ATOM 317 O LEU A 24 3.680 -1.165 7.665 1.00 0.00 O ATOM 318 CB LEU A 24 3.693 0.544 4.785 1.00 0.00 C ATOM 319 CG LEU A 24 3.279 1.691 3.861 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.904 2.238 4.247 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.346 2.787 3.835 1.00 0.00 C ATOM 0 H LEU A 24 5.517 1.385 6.231 1.00 0.00 H new ATOM 0 HA LEU A 24 2.776 1.595 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.743 0.316 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.122 -0.343 4.510 1.00 0.00 H new ATOM 0 HG LEU A 24 3.196 1.299 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.634 3.052 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.162 1.443 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.934 2.609 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.027 3.590 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.486 3.182 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.287 2.371 3.475 1.00 0.00 H new ATOM 333 N GLY A 25 1.622 -0.551 6.956 1.00 0.00 N ATOM 334 CA GLY A 25 0.943 -1.648 7.624 1.00 0.00 C ATOM 335 C GLY A 25 1.399 -2.997 7.065 1.00 0.00 C ATOM 336 O GLY A 25 1.111 -4.043 7.645 1.00 0.00 O ATOM 0 H GLY A 25 1.009 0.077 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.144 -1.607 8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.135 -1.544 7.498 1.00 0.00 H new ATOM 340 N PHE A 26 2.104 -2.930 5.946 1.00 0.00 N ATOM 341 CA PHE A 26 2.604 -4.133 5.302 1.00 0.00 C ATOM 342 C PHE A 26 4.118 -4.058 5.099 1.00 0.00 C ATOM 343 O PHE A 26 4.685 -2.968 5.023 1.00 0.00 O ATOM 344 CB PHE A 26 1.921 -4.225 3.936 1.00 0.00 C ATOM 345 CG PHE A 26 2.137 -2.998 3.048 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.519 -1.824 3.350 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.946 -3.080 1.958 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.719 -0.685 2.526 1.00 0.00 C ATOM 349 CE2 PHE A 26 3.146 -1.941 1.135 1.00 0.00 C ATOM 350 CZ PHE A 26 2.528 -0.767 1.436 1.00 0.00 C ATOM 0 H PHE A 26 2.341 -2.061 5.468 1.00 0.00 H new ATOM 0 HA PHE A 26 2.391 -5.003 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.292 -5.108 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.851 -4.369 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.877 -1.759 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.436 -4.012 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.228 0.247 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.789 -2.006 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.680 0.100 0.810 1.00 0.00 H new ATOM 360 N SER A 27 4.731 -5.229 5.016 1.00 0.00 N ATOM 361 CA SER A 27 6.169 -5.310 4.822 1.00 0.00 C ATOM 362 C SER A 27 6.479 -5.827 3.416 1.00 0.00 C ATOM 363 O SER A 27 5.942 -6.850 2.994 1.00 0.00 O ATOM 364 CB SER A 27 6.816 -6.212 5.875 1.00 0.00 C ATOM 365 OG SER A 27 8.105 -5.743 6.260 1.00 0.00 O ATOM 0 H SER A 27 4.258 -6.130 5.080 1.00 0.00 H new ATOM 0 HA SER A 27 6.587 -4.309 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.172 -6.264 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.901 -7.225 5.482 1.00 0.00 H new ATOM 0 HG SER A 27 8.484 -6.345 6.935 1.00 0.00 H new ATOM 371 N VAL A 28 7.345 -5.096 2.730 1.00 0.00 N ATOM 372 CA VAL A 28 7.734 -5.469 1.380 1.00 0.00 C ATOM 373 C VAL A 28 9.188 -5.944 1.385 1.00 0.00 C ATOM 374 O VAL A 28 9.970 -5.552 2.250 1.00 0.00 O ATOM 375 CB VAL A 28 7.491 -4.299 0.424 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.998 -4.126 0.138 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.097 -3.006 0.974 1.00 0.00 C ATOM 0 H VAL A 28 7.788 -4.248 3.083 1.00 0.00 H new ATOM 0 HA VAL A 28 7.123 -6.297 1.022 1.00 0.00 H new ATOM 0 HB VAL A 28 7.989 -4.528 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.853 -3.288 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.607 -5.036 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.469 -3.931 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.910 -2.191 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.642 -2.771 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.172 -3.134 1.103 1.00 0.00 H new ATOM 387 N ARG A 29 9.507 -6.783 0.410 1.00 0.00 N ATOM 388 CA ARG A 29 10.853 -7.316 0.292 1.00 0.00 C ATOM 389 C ARG A 29 11.437 -6.983 -1.083 1.00 0.00 C ATOM 390 O ARG A 29 10.696 -6.808 -2.050 1.00 0.00 O ATOM 391 CB ARG A 29 10.864 -8.833 0.489 1.00 0.00 C ATOM 392 CG ARG A 29 9.968 -9.526 -0.538 1.00 0.00 C ATOM 393 CD ARG A 29 10.304 -11.015 -0.643 1.00 0.00 C ATOM 394 NE ARG A 29 11.638 -11.191 -1.261 1.00 0.00 N ATOM 395 CZ ARG A 29 12.375 -12.305 -1.154 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.913 -13.349 -0.453 1.00 0.00 N ATOM 397 NH2 ARG A 29 13.574 -12.374 -1.748 1.00 0.00 N ATOM 0 H ARG A 29 8.856 -7.107 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 29 11.461 -6.856 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.884 -9.208 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.524 -9.075 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.923 -9.405 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.091 -9.052 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.290 -11.470 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.548 -11.526 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 29 12.020 -10.415 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.000 -13.296 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.474 -14.197 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.925 -11.579 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.135 -13.222 -1.667 1.00 0.00 H new ATOM 411 N GLY A 30 12.759 -6.907 -1.127 1.00 0.00 N ATOM 412 CA GLY A 30 13.450 -6.599 -2.367 1.00 0.00 C ATOM 413 C GLY A 30 14.103 -5.217 -2.303 1.00 0.00 C ATOM 414 O GLY A 30 14.536 -4.781 -1.237 1.00 0.00 O ATOM 0 H GLY A 30 13.370 -7.054 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.210 -7.356 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.746 -6.634 -3.198 1.00 0.00 H new ATOM 418 N GLY A 31 14.153 -4.567 -3.456 1.00 0.00 N ATOM 419 CA GLY A 31 14.745 -3.243 -3.543 1.00 0.00 C ATOM 420 C GLY A 31 16.118 -3.211 -2.869 1.00 0.00 C ATOM 421 O GLY A 31 16.307 -2.520 -1.869 1.00 0.00 O ATOM 0 H GLY A 31 13.793 -4.932 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.843 -2.952 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.087 -2.515 -3.070 1.00 0.00 H new ATOM 425 N SER A 32 17.042 -3.968 -3.443 1.00 0.00 N ATOM 426 CA SER A 32 18.392 -4.036 -2.910 1.00 0.00 C ATOM 427 C SER A 32 19.376 -4.405 -4.022 1.00 0.00 C ATOM 428 O SER A 32 19.668 -5.581 -4.231 1.00 0.00 O ATOM 429 CB SER A 32 18.482 -5.046 -1.764 1.00 0.00 C ATOM 430 OG SER A 32 19.403 -4.632 -0.759 1.00 0.00 O ATOM 0 H SER A 32 16.882 -4.540 -4.272 1.00 0.00 H new ATOM 0 HA SER A 32 18.653 -3.055 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.496 -5.179 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 32 18.787 -6.015 -2.158 1.00 0.00 H new ATOM 0 HG SER A 32 19.431 -5.302 -0.044 1.00 0.00 H new ATOM 436 N GLU A 33 19.859 -3.378 -4.706 1.00 0.00 N ATOM 437 CA GLU A 33 20.804 -3.581 -5.791 1.00 0.00 C ATOM 438 C GLU A 33 20.086 -4.131 -7.024 1.00 0.00 C ATOM 439 O GLU A 33 20.042 -3.477 -8.065 1.00 0.00 O ATOM 440 CB GLU A 33 21.943 -4.507 -5.360 1.00 0.00 C ATOM 441 CG GLU A 33 23.179 -4.302 -6.240 1.00 0.00 C ATOM 442 CD GLU A 33 23.775 -5.644 -6.668 1.00 0.00 C ATOM 443 OE1 GLU A 33 22.986 -6.606 -6.780 1.00 0.00 O ATOM 444 OE2 GLU A 33 25.008 -5.677 -6.874 1.00 0.00 O ATOM 0 H GLU A 33 19.614 -2.404 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 33 21.242 -2.617 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 33 22.198 -4.315 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 33 21.616 -5.545 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 22.910 -3.722 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 33 23.926 -3.725 -5.695 1.00 0.00 H new ATOM 451 N HIS A 34 19.541 -5.329 -6.867 1.00 0.00 N ATOM 452 CA HIS A 34 18.827 -5.975 -7.955 1.00 0.00 C ATOM 453 C HIS A 34 17.871 -4.974 -8.607 1.00 0.00 C ATOM 454 O HIS A 34 18.044 -4.611 -9.769 1.00 0.00 O ATOM 455 CB HIS A 34 18.118 -7.239 -7.464 1.00 0.00 C ATOM 456 CG HIS A 34 19.037 -8.421 -7.267 1.00 0.00 C ATOM 457 ND1 HIS A 34 18.620 -9.606 -6.687 1.00 0.00 N ATOM 458 CD2 HIS A 34 20.354 -8.588 -7.580 1.00 0.00 C ATOM 459 CE1 HIS A 34 19.648 -10.441 -6.656 1.00 0.00 C ATOM 460 NE2 HIS A 34 20.722 -9.808 -7.210 1.00 0.00 N ATOM 0 H HIS A 34 19.580 -5.869 -6.002 1.00 0.00 H new ATOM 0 HA HIS A 34 19.535 -6.299 -8.718 1.00 0.00 H new ATOM 0 HB2 HIS A 34 17.618 -7.020 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 34 17.343 -7.510 -8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 34 20.990 -7.852 -8.050 1.00 0.00 H new ATOM 0 HE1 HIS A 34 19.638 -11.446 -6.261 1.00 0.00 H new ATOM 0 HE2 HIS A 34 21.654 -10.207 -7.321 1.00 0.00 H new ATOM 468 N GLY A 35 16.882 -4.557 -7.830 1.00 0.00 N ATOM 469 CA GLY A 35 15.898 -3.605 -8.318 1.00 0.00 C ATOM 470 C GLY A 35 14.485 -4.185 -8.231 1.00 0.00 C ATOM 471 O GLY A 35 13.771 -3.950 -7.257 1.00 0.00 O ATOM 0 H GLY A 35 16.741 -4.861 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.955 -2.686 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.124 -3.340 -9.351 1.00 0.00 H new ATOM 475 N LEU A 36 14.122 -4.932 -9.264 1.00 0.00 N ATOM 476 CA LEU A 36 12.807 -5.547 -9.317 1.00 0.00 C ATOM 477 C LEU A 36 11.757 -4.539 -8.847 1.00 0.00 C ATOM 478 O LEU A 36 12.045 -3.349 -8.725 1.00 0.00 O ATOM 479 CB LEU A 36 12.796 -6.858 -8.529 1.00 0.00 C ATOM 480 CG LEU A 36 13.208 -6.760 -7.059 1.00 0.00 C ATOM 481 CD1 LEU A 36 12.100 -6.121 -6.220 1.00 0.00 C ATOM 482 CD2 LEU A 36 13.624 -8.128 -6.513 1.00 0.00 C ATOM 0 H LEU A 36 14.716 -5.125 -10.070 1.00 0.00 H new ATOM 0 HA LEU A 36 12.554 -5.816 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.792 -7.279 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.462 -7.563 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 36 14.079 -6.108 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.419 -6.063 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.894 -5.117 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.196 -6.726 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.912 -8.030 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.788 -8.822 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.469 -8.508 -7.088 1.00 0.00 H new ATOM 494 N GLY A 37 10.561 -5.051 -8.596 1.00 0.00 N ATOM 495 CA GLY A 37 9.467 -4.209 -8.142 1.00 0.00 C ATOM 496 C GLY A 37 9.358 -4.228 -6.616 1.00 0.00 C ATOM 497 O GLY A 37 10.363 -4.104 -5.917 1.00 0.00 O ATOM 0 H GLY A 37 10.325 -6.038 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.623 -3.187 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.531 -4.554 -8.581 1.00 0.00 H new ATOM 501 N ILE A 38 8.130 -4.383 -6.144 1.00 0.00 N ATOM 502 CA ILE A 38 7.877 -4.419 -4.714 1.00 0.00 C ATOM 503 C ILE A 38 6.991 -5.623 -4.387 1.00 0.00 C ATOM 504 O ILE A 38 5.851 -5.701 -4.842 1.00 0.00 O ATOM 505 CB ILE A 38 7.300 -3.084 -4.238 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.146 -1.912 -4.739 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.140 -3.067 -2.717 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.556 -1.962 -4.148 1.00 0.00 C ATOM 0 H ILE A 38 7.299 -4.485 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 38 8.810 -4.551 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 38 6.305 -2.969 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.203 -1.939 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.667 -0.971 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.728 -2.107 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.465 -3.867 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.112 -3.214 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.137 -1.118 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.497 -1.911 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.041 -2.893 -4.441 1.00 0.00 H new ATOM 520 N PHE A 39 7.549 -6.532 -3.601 1.00 0.00 N ATOM 521 CA PHE A 39 6.824 -7.728 -3.209 1.00 0.00 C ATOM 522 C PHE A 39 6.510 -7.712 -1.711 1.00 0.00 C ATOM 523 O PHE A 39 7.358 -7.345 -0.900 1.00 0.00 O ATOM 524 CB PHE A 39 7.731 -8.922 -3.515 1.00 0.00 C ATOM 525 CG PHE A 39 8.051 -9.096 -5.001 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.907 -8.238 -5.618 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.478 -10.108 -5.706 1.00 0.00 C ATOM 528 CE1 PHE A 39 9.203 -8.399 -6.997 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.774 -10.270 -7.085 1.00 0.00 C ATOM 530 CZ PHE A 39 8.631 -9.412 -7.701 1.00 0.00 C ATOM 0 H PHE A 39 8.495 -6.464 -3.225 1.00 0.00 H new ATOM 0 HA PHE A 39 5.880 -7.785 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.664 -8.807 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.254 -9.831 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.362 -7.434 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.797 -10.789 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.882 -7.717 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.319 -11.074 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.857 -9.535 -8.750 1.00 0.00 H new ATOM 540 N VAL A 40 5.289 -8.116 -1.391 1.00 0.00 N ATOM 541 CA VAL A 40 4.853 -8.152 -0.005 1.00 0.00 C ATOM 542 C VAL A 40 5.502 -9.346 0.698 1.00 0.00 C ATOM 543 O VAL A 40 5.737 -10.383 0.079 1.00 0.00 O ATOM 544 CB VAL A 40 3.325 -8.178 0.061 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.834 -7.930 1.489 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.716 -7.166 -0.911 1.00 0.00 C ATOM 0 H VAL A 40 4.589 -8.421 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 40 5.173 -7.252 0.520 1.00 0.00 H new ATOM 0 HB VAL A 40 2.994 -9.172 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.744 -7.954 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.225 -8.705 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.182 -6.955 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.629 -7.206 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.059 -6.164 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.025 -7.407 -1.928 1.00 0.00 H new ATOM 556 N SER A 41 5.774 -9.160 1.981 1.00 0.00 N ATOM 557 CA SER A 41 6.392 -10.208 2.775 1.00 0.00 C ATOM 558 C SER A 41 5.528 -10.514 4.000 1.00 0.00 C ATOM 559 O SER A 41 5.224 -11.674 4.276 1.00 0.00 O ATOM 560 CB SER A 41 7.805 -9.812 3.207 1.00 0.00 C ATOM 561 OG SER A 41 7.850 -9.397 4.570 1.00 0.00 O ATOM 0 H SER A 41 5.578 -8.299 2.491 1.00 0.00 H new ATOM 0 HA SER A 41 6.468 -11.104 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.478 -10.657 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.166 -9.004 2.570 1.00 0.00 H new ATOM 0 HG SER A 41 8.769 -9.154 4.808 1.00 0.00 H new ATOM 567 N LYS A 42 5.158 -9.454 4.703 1.00 0.00 N ATOM 568 CA LYS A 42 4.335 -9.595 5.893 1.00 0.00 C ATOM 569 C LYS A 42 3.297 -8.471 5.926 1.00 0.00 C ATOM 570 O LYS A 42 3.519 -7.400 5.363 1.00 0.00 O ATOM 571 CB LYS A 42 5.211 -9.660 7.145 1.00 0.00 C ATOM 572 CG LYS A 42 4.380 -10.025 8.377 1.00 0.00 C ATOM 573 CD LYS A 42 4.075 -11.524 8.408 1.00 0.00 C ATOM 574 CE LYS A 42 3.170 -11.875 9.590 1.00 0.00 C ATOM 575 NZ LYS A 42 2.171 -12.893 9.194 1.00 0.00 N ATOM 0 H LYS A 42 5.413 -8.494 4.472 1.00 0.00 H new ATOM 0 HA LYS A 42 3.786 -10.536 5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.001 -10.398 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.698 -8.698 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.919 -9.741 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.448 -9.461 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.593 -11.820 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.006 -12.087 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.772 -12.250 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.663 -10.978 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.565 -13.120 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.585 -12.522 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.660 -13.754 8.876 1.00 0.00 H new ATOM 589 N VAL A 43 2.186 -8.755 6.590 1.00 0.00 N ATOM 590 CA VAL A 43 1.113 -7.781 6.703 1.00 0.00 C ATOM 591 C VAL A 43 0.642 -7.715 8.158 1.00 0.00 C ATOM 592 O VAL A 43 -0.023 -8.630 8.641 1.00 0.00 O ATOM 593 CB VAL A 43 -0.012 -8.126 5.726 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.241 -7.249 5.973 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.465 -8.006 4.277 1.00 0.00 C ATOM 0 H VAL A 43 2.006 -9.645 7.055 1.00 0.00 H new ATOM 0 HA VAL A 43 1.469 -6.787 6.430 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.300 -9.163 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.026 -7.515 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.601 -7.406 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.973 -6.201 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.354 -8.257 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.793 -6.984 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.296 -8.691 4.109 1.00 0.00 H new ATOM 605 N GLU A 44 1.006 -6.624 8.815 1.00 0.00 N ATOM 606 CA GLU A 44 0.629 -6.427 10.204 1.00 0.00 C ATOM 607 C GLU A 44 -0.830 -6.832 10.421 1.00 0.00 C ATOM 608 O GLU A 44 -1.685 -6.559 9.580 1.00 0.00 O ATOM 609 CB GLU A 44 0.866 -4.978 10.636 1.00 0.00 C ATOM 610 CG GLU A 44 1.643 -4.918 11.953 1.00 0.00 C ATOM 611 CD GLU A 44 0.690 -4.862 13.149 1.00 0.00 C ATOM 612 OE1 GLU A 44 -0.212 -3.998 13.116 1.00 0.00 O ATOM 613 OE2 GLU A 44 0.886 -5.685 14.070 1.00 0.00 O ATOM 0 H GLU A 44 1.558 -5.867 8.411 1.00 0.00 H new ATOM 0 HA GLU A 44 1.258 -7.065 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.418 -4.449 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.090 -4.468 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.289 -5.792 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.291 -4.041 11.958 1.00 0.00 H new ATOM 620 N GLU A 45 -1.070 -7.476 11.553 1.00 0.00 N ATOM 621 CA GLU A 45 -2.411 -7.922 11.891 1.00 0.00 C ATOM 622 C GLU A 45 -3.244 -6.749 12.414 1.00 0.00 C ATOM 623 O GLU A 45 -2.712 -5.670 12.668 1.00 0.00 O ATOM 624 CB GLU A 45 -2.370 -9.062 12.910 1.00 0.00 C ATOM 625 CG GLU A 45 -2.463 -10.422 12.215 1.00 0.00 C ATOM 626 CD GLU A 45 -3.869 -10.660 11.661 1.00 0.00 C ATOM 627 OE1 GLU A 45 -4.730 -9.787 11.906 1.00 0.00 O ATOM 628 OE2 GLU A 45 -4.052 -11.709 11.007 1.00 0.00 O ATOM 0 H GLU A 45 -0.358 -7.700 12.248 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.884 -8.305 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.446 -9.006 13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.193 -8.953 13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.736 -10.471 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.207 -11.213 12.920 1.00 0.00 H new ATOM 635 N GLY A 46 -4.536 -7.001 12.560 1.00 0.00 N ATOM 636 CA GLY A 46 -5.448 -5.980 13.048 1.00 0.00 C ATOM 637 C GLY A 46 -5.077 -4.604 12.492 1.00 0.00 C ATOM 638 O GLY A 46 -5.308 -3.586 13.142 1.00 0.00 O ATOM 0 H GLY A 46 -4.974 -7.898 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.469 -6.230 12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.423 -5.955 14.137 1.00 0.00 H new ATOM 642 N SER A 47 -4.508 -4.617 11.296 1.00 0.00 N ATOM 643 CA SER A 47 -4.103 -3.383 10.646 1.00 0.00 C ATOM 644 C SER A 47 -5.093 -3.027 9.534 1.00 0.00 C ATOM 645 O SER A 47 -6.038 -3.772 9.279 1.00 0.00 O ATOM 646 CB SER A 47 -2.687 -3.498 10.078 1.00 0.00 C ATOM 647 OG SER A 47 -2.677 -4.100 8.787 1.00 0.00 O ATOM 0 H SER A 47 -4.318 -5.464 10.760 1.00 0.00 H new ATOM 0 HA SER A 47 -4.103 -2.588 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.238 -2.506 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.071 -4.087 10.757 1.00 0.00 H new ATOM 0 HG SER A 47 -2.356 -5.023 8.859 1.00 0.00 H new ATOM 653 N SER A 48 -4.842 -1.890 8.904 1.00 0.00 N ATOM 654 CA SER A 48 -5.699 -1.426 7.826 1.00 0.00 C ATOM 655 C SER A 48 -5.415 -2.224 6.552 1.00 0.00 C ATOM 656 O SER A 48 -6.305 -2.417 5.724 1.00 0.00 O ATOM 657 CB SER A 48 -5.504 0.069 7.570 1.00 0.00 C ATOM 658 OG SER A 48 -6.629 0.651 6.917 1.00 0.00 O ATOM 0 H SER A 48 -4.057 -1.275 9.119 1.00 0.00 H new ATOM 0 HA SER A 48 -6.736 -1.583 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.331 0.579 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.613 0.219 6.960 1.00 0.00 H new ATOM 0 HG SER A 48 -7.005 1.359 7.481 1.00 0.00 H new ATOM 664 N ALA A 49 -4.172 -2.667 6.434 1.00 0.00 N ATOM 665 CA ALA A 49 -3.760 -3.440 5.274 1.00 0.00 C ATOM 666 C ALA A 49 -4.523 -4.765 5.252 1.00 0.00 C ATOM 667 O ALA A 49 -5.328 -5.007 4.354 1.00 0.00 O ATOM 668 CB ALA A 49 -2.243 -3.641 5.308 1.00 0.00 C ATOM 0 H ALA A 49 -3.437 -2.506 7.122 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.998 -2.908 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.933 -4.221 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.747 -2.671 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.967 -4.175 6.217 1.00 0.00 H new ATOM 674 N GLU A 50 -4.244 -5.589 6.252 1.00 0.00 N ATOM 675 CA GLU A 50 -4.895 -6.884 6.358 1.00 0.00 C ATOM 676 C GLU A 50 -6.392 -6.751 6.072 1.00 0.00 C ATOM 677 O GLU A 50 -7.006 -7.663 5.520 1.00 0.00 O ATOM 678 CB GLU A 50 -4.653 -7.508 7.734 1.00 0.00 C ATOM 679 CG GLU A 50 -3.748 -8.737 7.627 1.00 0.00 C ATOM 680 CD GLU A 50 -3.859 -9.609 8.880 1.00 0.00 C ATOM 681 OE1 GLU A 50 -4.992 -9.720 9.396 1.00 0.00 O ATOM 682 OE2 GLU A 50 -2.807 -10.144 9.293 1.00 0.00 O ATOM 0 H GLU A 50 -3.576 -5.385 6.996 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.460 -7.549 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.196 -6.772 8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.606 -7.791 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.023 -9.320 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.714 -8.421 7.490 1.00 0.00 H new ATOM 689 N ARG A 51 -6.936 -5.607 6.460 1.00 0.00 N ATOM 690 CA ARG A 51 -8.350 -5.343 6.253 1.00 0.00 C ATOM 691 C ARG A 51 -8.589 -4.814 4.837 1.00 0.00 C ATOM 692 O ARG A 51 -9.610 -5.117 4.221 1.00 0.00 O ATOM 693 CB ARG A 51 -8.875 -4.323 7.266 1.00 0.00 C ATOM 694 CG ARG A 51 -9.471 -5.023 8.489 1.00 0.00 C ATOM 695 CD ARG A 51 -10.920 -4.588 8.717 1.00 0.00 C ATOM 696 NE ARG A 51 -11.221 -4.570 10.166 1.00 0.00 N ATOM 697 CZ ARG A 51 -10.683 -3.703 11.035 1.00 0.00 C ATOM 698 NH1 ARG A 51 -9.814 -2.777 10.606 1.00 0.00 N ATOM 699 NH2 ARG A 51 -11.015 -3.761 12.332 1.00 0.00 N ATOM 0 H ARG A 51 -6.423 -4.852 6.916 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.886 -6.282 6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.064 -3.665 7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.632 -3.695 6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.429 -6.103 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.875 -4.792 9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.082 -3.598 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.598 -5.270 8.205 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.879 -5.261 10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.562 -2.732 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.404 -2.117 11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.677 -4.465 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.605 -3.101 12.993 1.00 0.00 H new ATOM 713 N ALA A 52 -7.630 -4.033 4.362 1.00 0.00 N ATOM 714 CA ALA A 52 -7.723 -3.459 3.030 1.00 0.00 C ATOM 715 C ALA A 52 -7.712 -4.584 1.993 1.00 0.00 C ATOM 716 O ALA A 52 -8.134 -4.388 0.854 1.00 0.00 O ATOM 717 CB ALA A 52 -6.580 -2.464 2.822 1.00 0.00 C ATOM 0 H ALA A 52 -6.785 -3.784 4.876 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.658 -2.911 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.650 -2.033 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.649 -1.670 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.625 -2.979 2.929 1.00 0.00 H new ATOM 723 N GLY A 53 -7.225 -5.739 2.424 1.00 0.00 N ATOM 724 CA GLY A 53 -7.153 -6.895 1.547 1.00 0.00 C ATOM 725 C GLY A 53 -5.701 -7.318 1.314 1.00 0.00 C ATOM 726 O GLY A 53 -5.443 -8.391 0.772 1.00 0.00 O ATOM 0 H GLY A 53 -6.877 -5.899 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.711 -7.723 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.625 -6.662 0.593 1.00 0.00 H new ATOM 730 N LEU A 54 -4.791 -6.452 1.736 1.00 0.00 N ATOM 731 CA LEU A 54 -3.372 -6.722 1.581 1.00 0.00 C ATOM 732 C LEU A 54 -2.955 -7.815 2.566 1.00 0.00 C ATOM 733 O LEU A 54 -3.266 -7.737 3.754 1.00 0.00 O ATOM 734 CB LEU A 54 -2.563 -5.431 1.715 1.00 0.00 C ATOM 735 CG LEU A 54 -1.122 -5.486 1.204 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.073 -5.972 -0.246 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.426 -4.135 1.379 1.00 0.00 C ATOM 0 H LEU A 54 -5.009 -5.563 2.185 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.163 -7.099 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.087 -4.640 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.544 -5.145 2.767 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.574 -6.211 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.037 -6.002 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.505 -6.971 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.642 -5.290 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.597 -4.202 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.966 -3.372 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.412 -3.867 2.435 1.00 0.00 H new ATOM 749 N CYS A 55 -2.257 -8.810 2.037 1.00 0.00 N ATOM 750 CA CYS A 55 -1.794 -9.917 2.856 1.00 0.00 C ATOM 751 C CYS A 55 -0.519 -10.480 2.225 1.00 0.00 C ATOM 752 O CYS A 55 -0.072 -10.000 1.185 1.00 0.00 O ATOM 753 CB CYS A 55 -2.872 -10.991 3.018 1.00 0.00 C ATOM 754 SG CYS A 55 -3.513 -10.980 4.732 1.00 0.00 S ATOM 0 H CYS A 55 -2.001 -8.872 1.052 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.575 -9.561 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.686 -10.810 2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.459 -11.972 2.782 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.429 -11.894 4.859 1.00 0.00 H new ATOM 760 N VAL A 56 0.032 -11.491 2.882 1.00 0.00 N ATOM 761 CA VAL A 56 1.247 -12.124 2.399 1.00 0.00 C ATOM 762 C VAL A 56 0.924 -12.954 1.154 1.00 0.00 C ATOM 763 O VAL A 56 -0.135 -13.574 1.075 1.00 0.00 O ATOM 764 CB VAL A 56 1.888 -12.948 3.517 1.00 0.00 C ATOM 765 CG1 VAL A 56 3.060 -13.776 2.986 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.330 -12.051 4.675 1.00 0.00 C ATOM 0 H VAL A 56 -0.341 -11.887 3.745 1.00 0.00 H new ATOM 0 HA VAL A 56 1.980 -11.372 2.107 1.00 0.00 H new ATOM 0 HB VAL A 56 1.135 -13.639 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.497 -14.352 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.704 -14.456 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.815 -13.111 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.782 -12.662 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.058 -11.325 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.464 -11.527 5.080 1.00 0.00 H new ATOM 776 N GLY A 57 1.857 -12.939 0.214 1.00 0.00 N ATOM 777 CA GLY A 57 1.685 -13.683 -1.023 1.00 0.00 C ATOM 778 C GLY A 57 1.138 -12.782 -2.132 1.00 0.00 C ATOM 779 O GLY A 57 0.290 -13.204 -2.918 1.00 0.00 O ATOM 0 H GLY A 57 2.735 -12.424 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.640 -14.108 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.004 -14.518 -0.858 1.00 0.00 H new ATOM 783 N ASP A 58 1.645 -11.559 -2.161 1.00 0.00 N ATOM 784 CA ASP A 58 1.217 -10.595 -3.162 1.00 0.00 C ATOM 785 C ASP A 58 2.433 -9.815 -3.665 1.00 0.00 C ATOM 786 O ASP A 58 3.416 -9.657 -2.942 1.00 0.00 O ATOM 787 CB ASP A 58 0.223 -9.593 -2.572 1.00 0.00 C ATOM 788 CG ASP A 58 -1.238 -10.044 -2.590 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.557 -10.902 -3.441 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.004 -9.520 -1.752 1.00 0.00 O ATOM 0 H ASP A 58 2.348 -11.213 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 58 0.738 -11.142 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.510 -9.383 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.305 -8.656 -3.123 1.00 0.00 H new ATOM 795 N LYS A 59 2.327 -9.348 -4.900 1.00 0.00 N ATOM 796 CA LYS A 59 3.406 -8.588 -5.508 1.00 0.00 C ATOM 797 C LYS A 59 2.846 -7.287 -6.086 1.00 0.00 C ATOM 798 O LYS A 59 2.193 -7.297 -7.128 1.00 0.00 O ATOM 799 CB LYS A 59 4.153 -9.444 -6.533 1.00 0.00 C ATOM 800 CG LYS A 59 5.150 -8.600 -7.330 1.00 0.00 C ATOM 801 CD LYS A 59 5.368 -9.184 -8.728 1.00 0.00 C ATOM 802 CE LYS A 59 6.285 -8.285 -9.560 1.00 0.00 C ATOM 803 NZ LYS A 59 6.614 -8.933 -10.849 1.00 0.00 N ATOM 0 H LYS A 59 1.510 -9.481 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 59 4.146 -8.311 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.680 -10.251 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.439 -9.909 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.782 -7.577 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.101 -8.555 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.805 -10.179 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.408 -9.297 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.798 -7.327 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.201 -8.077 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.237 -8.310 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.098 -9.836 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.739 -9.109 -11.382 1.00 0.00 H new ATOM 817 N ILE A 60 3.120 -6.198 -5.382 1.00 0.00 N ATOM 818 CA ILE A 60 2.651 -4.892 -5.812 1.00 0.00 C ATOM 819 C ILE A 60 3.358 -4.503 -7.112 1.00 0.00 C ATOM 820 O ILE A 60 4.569 -4.287 -7.124 1.00 0.00 O ATOM 821 CB ILE A 60 2.821 -3.866 -4.690 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.010 -4.265 -3.455 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.470 -2.458 -5.176 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.776 -3.946 -2.170 1.00 0.00 C ATOM 0 H ILE A 60 3.661 -6.194 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 60 1.583 -4.923 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 60 3.870 -3.852 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.057 -3.736 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.784 -5.331 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.599 -1.748 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.126 -2.184 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.434 -2.437 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.178 -4.239 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.718 -4.495 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.979 -2.876 -2.124 1.00 0.00 H new ATOM 836 N THR A 61 2.572 -4.427 -8.176 1.00 0.00 N ATOM 837 CA THR A 61 3.107 -4.069 -9.478 1.00 0.00 C ATOM 838 C THR A 61 3.013 -2.557 -9.696 1.00 0.00 C ATOM 839 O THR A 61 3.856 -1.970 -10.373 1.00 0.00 O ATOM 840 CB THR A 61 2.360 -4.882 -10.537 1.00 0.00 C ATOM 841 OG1 THR A 61 0.994 -4.519 -10.353 1.00 0.00 O ATOM 842 CG2 THR A 61 2.388 -6.384 -10.249 1.00 0.00 C ATOM 0 H THR A 61 1.568 -4.607 -8.163 1.00 0.00 H new ATOM 0 HA THR A 61 4.167 -4.312 -9.549 1.00 0.00 H new ATOM 0 HB THR A 61 2.798 -4.692 -11.517 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.608 -5.054 -9.628 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.844 -6.915 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.421 -6.731 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.919 -6.578 -9.284 1.00 0.00 H new ATOM 850 N GLU A 62 1.981 -1.970 -9.108 1.00 0.00 N ATOM 851 CA GLU A 62 1.766 -0.538 -9.229 1.00 0.00 C ATOM 852 C GLU A 62 0.986 -0.014 -8.022 1.00 0.00 C ATOM 853 O GLU A 62 0.258 -0.766 -7.375 1.00 0.00 O ATOM 854 CB GLU A 62 1.046 -0.200 -10.536 1.00 0.00 C ATOM 855 CG GLU A 62 0.513 1.234 -10.513 1.00 0.00 C ATOM 856 CD GLU A 62 -0.133 1.600 -11.851 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.638 1.880 -12.795 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.382 1.592 -11.900 1.00 0.00 O ATOM 0 H GLU A 62 1.285 -2.460 -8.546 1.00 0.00 H new ATOM 0 HA GLU A 62 2.738 -0.045 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.731 -0.324 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.222 -0.896 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.217 1.342 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.328 1.925 -10.297 1.00 0.00 H new ATOM 865 N VAL A 63 1.164 1.271 -7.754 1.00 0.00 N ATOM 866 CA VAL A 63 0.485 1.904 -6.636 1.00 0.00 C ATOM 867 C VAL A 63 0.387 3.409 -6.891 1.00 0.00 C ATOM 868 O VAL A 63 1.309 4.011 -7.439 1.00 0.00 O ATOM 869 CB VAL A 63 1.204 1.564 -5.328 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.722 1.635 -5.502 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.738 2.479 -4.194 1.00 0.00 C ATOM 0 H VAL A 63 1.769 1.891 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.532 1.524 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 63 0.946 0.539 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.208 1.389 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.034 0.924 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.007 2.643 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.264 2.217 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.953 3.516 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.335 2.357 -4.045 1.00 0.00 H new ATOM 881 N ASN A 64 -0.739 3.974 -6.480 1.00 0.00 N ATOM 882 CA ASN A 64 -0.970 5.398 -6.657 1.00 0.00 C ATOM 883 C ASN A 64 -0.728 5.772 -8.121 1.00 0.00 C ATOM 884 O ASN A 64 -0.475 6.934 -8.435 1.00 0.00 O ATOM 885 CB ASN A 64 -0.012 6.222 -5.794 1.00 0.00 C ATOM 886 CG ASN A 64 -0.740 7.394 -5.133 1.00 0.00 C ATOM 887 OD1 ASN A 64 -0.660 8.532 -5.566 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.453 7.054 -4.063 1.00 0.00 N ATOM 0 H ASN A 64 -1.501 3.472 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.997 5.612 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.431 5.586 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.806 6.597 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.976 7.765 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.477 6.082 -3.754 1.00 0.00 H new ATOM 895 N GLY A 65 -0.815 4.764 -8.977 1.00 0.00 N ATOM 896 CA GLY A 65 -0.608 4.973 -10.400 1.00 0.00 C ATOM 897 C GLY A 65 0.851 4.722 -10.786 1.00 0.00 C ATOM 898 O GLY A 65 1.131 4.186 -11.857 1.00 0.00 O ATOM 0 H GLY A 65 -1.026 3.802 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.258 4.306 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.888 5.992 -10.666 1.00 0.00 H new ATOM 902 N LEU A 66 1.743 5.122 -9.891 1.00 0.00 N ATOM 903 CA LEU A 66 3.166 4.947 -10.124 1.00 0.00 C ATOM 904 C LEU A 66 3.481 3.454 -10.238 1.00 0.00 C ATOM 905 O LEU A 66 3.160 2.678 -9.339 1.00 0.00 O ATOM 906 CB LEU A 66 3.978 5.666 -9.044 1.00 0.00 C ATOM 907 CG LEU A 66 4.301 7.137 -9.315 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.744 7.301 -9.796 1.00 0.00 C ATOM 909 CD2 LEU A 66 3.297 7.747 -10.295 1.00 0.00 C ATOM 0 H LEU A 66 1.507 5.567 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 66 3.456 5.407 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.431 5.602 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.916 5.128 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 66 4.210 7.686 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.948 8.356 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.427 6.928 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.887 6.736 -10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.549 8.793 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.332 7.202 -11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.293 7.681 -9.875 1.00 0.00 H new ATOM 921 N SER A 67 4.105 3.097 -11.351 1.00 0.00 N ATOM 922 CA SER A 67 4.466 1.711 -11.594 1.00 0.00 C ATOM 923 C SER A 67 5.763 1.371 -10.856 1.00 0.00 C ATOM 924 O SER A 67 6.767 2.066 -11.005 1.00 0.00 O ATOM 925 CB SER A 67 4.620 1.436 -13.091 1.00 0.00 C ATOM 926 OG SER A 67 4.820 2.635 -13.836 1.00 0.00 O ATOM 0 H SER A 67 4.370 3.744 -12.094 1.00 0.00 H new ATOM 0 HA SER A 67 3.663 1.077 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.463 0.764 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.731 0.924 -13.459 1.00 0.00 H new ATOM 0 HG SER A 67 4.916 2.417 -14.787 1.00 0.00 H new ATOM 932 N LEU A 68 5.699 0.302 -10.076 1.00 0.00 N ATOM 933 CA LEU A 68 6.856 -0.139 -9.315 1.00 0.00 C ATOM 934 C LEU A 68 7.386 -1.445 -9.911 1.00 0.00 C ATOM 935 O LEU A 68 7.632 -2.407 -9.186 1.00 0.00 O ATOM 936 CB LEU A 68 6.513 -0.236 -7.827 1.00 0.00 C ATOM 937 CG LEU A 68 5.561 0.833 -7.287 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.439 0.740 -5.764 1.00 0.00 C ATOM 939 CD2 LEU A 68 5.989 2.229 -7.743 1.00 0.00 C ATOM 0 H LEU A 68 4.864 -0.272 -9.954 1.00 0.00 H new ATOM 0 HA LEU A 68 7.660 0.593 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.072 -1.215 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.441 -0.189 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 68 4.570 0.648 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.757 1.511 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.054 -0.242 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.420 0.885 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.296 2.970 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.994 2.439 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.983 2.274 -8.832 1.00 0.00 H new ATOM 951 N GLU A 69 7.547 -1.435 -11.226 1.00 0.00 N ATOM 952 CA GLU A 69 8.044 -2.607 -11.927 1.00 0.00 C ATOM 953 C GLU A 69 9.561 -2.516 -12.104 1.00 0.00 C ATOM 954 O GLU A 69 10.150 -3.298 -12.849 1.00 0.00 O ATOM 955 CB GLU A 69 7.343 -2.775 -13.277 1.00 0.00 C ATOM 956 CG GLU A 69 6.170 -3.751 -13.168 1.00 0.00 C ATOM 957 CD GLU A 69 5.951 -4.495 -14.487 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.048 -3.826 -15.539 1.00 0.00 O ATOM 959 OE2 GLU A 69 5.692 -5.716 -14.414 1.00 0.00 O ATOM 0 H GLU A 69 7.342 -0.635 -11.824 1.00 0.00 H new ATOM 0 HA GLU A 69 7.821 -3.489 -11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.984 -1.807 -13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.055 -3.138 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.362 -4.468 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.264 -3.208 -12.898 1.00 0.00 H new ATOM 966 N SER A 70 10.149 -1.556 -11.407 1.00 0.00 N ATOM 967 CA SER A 70 11.586 -1.353 -11.478 1.00 0.00 C ATOM 968 C SER A 70 11.966 -0.049 -10.774 1.00 0.00 C ATOM 969 O SER A 70 12.701 0.768 -11.327 1.00 0.00 O ATOM 970 CB SER A 70 12.069 -1.333 -12.929 1.00 0.00 C ATOM 971 OG SER A 70 12.457 -2.628 -13.381 1.00 0.00 O ATOM 0 H SER A 70 9.657 -0.910 -10.790 1.00 0.00 H new ATOM 0 HA SER A 70 12.074 -2.187 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.276 -0.948 -13.570 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.913 -0.649 -13.021 1.00 0.00 H new ATOM 0 HG SER A 70 11.770 -3.281 -13.131 1.00 0.00 H new ATOM 977 N THR A 71 11.448 0.107 -9.564 1.00 0.00 N ATOM 978 CA THR A 71 11.723 1.298 -8.779 1.00 0.00 C ATOM 979 C THR A 71 12.416 0.924 -7.467 1.00 0.00 C ATOM 980 O THR A 71 12.372 -0.231 -7.046 1.00 0.00 O ATOM 981 CB THR A 71 10.405 2.047 -8.579 1.00 0.00 C ATOM 982 OG1 THR A 71 10.791 3.417 -8.508 1.00 0.00 O ATOM 983 CG2 THR A 71 9.774 1.767 -7.213 1.00 0.00 C ATOM 0 H THR A 71 10.839 -0.573 -9.108 1.00 0.00 H new ATOM 0 HA THR A 71 12.415 1.962 -9.297 1.00 0.00 H new ATOM 0 HB THR A 71 9.706 1.767 -9.367 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.995 3.975 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.841 2.323 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.572 0.700 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.460 2.078 -6.425 1.00 0.00 H new ATOM 991 N THR A 72 13.038 1.922 -6.858 1.00 0.00 N ATOM 992 CA THR A 72 13.738 1.712 -5.602 1.00 0.00 C ATOM 993 C THR A 72 12.744 1.645 -4.442 1.00 0.00 C ATOM 994 O THR A 72 11.759 2.382 -4.419 1.00 0.00 O ATOM 995 CB THR A 72 14.777 2.825 -5.449 1.00 0.00 C ATOM 996 OG1 THR A 72 14.013 3.959 -5.047 1.00 0.00 O ATOM 997 CG2 THR A 72 15.390 3.243 -6.787 1.00 0.00 C ATOM 0 H THR A 72 13.072 2.878 -7.211 1.00 0.00 H new ATOM 0 HA THR A 72 14.261 0.756 -5.595 1.00 0.00 H new ATOM 0 HB THR A 72 15.568 2.493 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.617 4.685 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.120 4.035 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 72 15.883 2.385 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.604 3.607 -7.449 1.00 0.00 H new ATOM 1005 N MET A 73 13.035 0.753 -3.506 1.00 0.00 N ATOM 1006 CA MET A 73 12.178 0.580 -2.345 1.00 0.00 C ATOM 1007 C MET A 73 11.802 1.932 -1.734 1.00 0.00 C ATOM 1008 O MET A 73 10.624 2.281 -1.669 1.00 0.00 O ATOM 1009 CB MET A 73 12.903 -0.269 -1.298 1.00 0.00 C ATOM 1010 CG MET A 73 12.093 -0.350 -0.003 1.00 0.00 C ATOM 1011 SD MET A 73 12.814 -1.561 1.093 1.00 0.00 S ATOM 1012 CE MET A 73 11.643 -2.894 0.897 1.00 0.00 C ATOM 0 H MET A 73 13.852 0.143 -3.528 1.00 0.00 H new ATOM 0 HA MET A 73 11.264 0.079 -2.663 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.070 -1.272 -1.690 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.884 0.160 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.071 0.625 0.483 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.060 -0.618 -0.226 1.00 0.00 H new ATOM 0 HE1 MET A 73 11.129 -3.068 1.842 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.914 -2.629 0.131 1.00 0.00 H new ATOM 0 HE3 MET A 73 12.170 -3.800 0.598 1.00 0.00 H new ATOM 1022 N GLY A 74 12.824 2.656 -1.303 1.00 0.00 N ATOM 1023 CA GLY A 74 12.616 3.961 -0.700 1.00 0.00 C ATOM 1024 C GLY A 74 11.542 4.748 -1.455 1.00 0.00 C ATOM 1025 O GLY A 74 10.470 5.018 -0.915 1.00 0.00 O ATOM 0 H GLY A 74 13.799 2.363 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.319 3.841 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.552 4.520 -0.703 1.00 0.00 H new ATOM 1029 N SER A 75 11.868 5.094 -2.692 1.00 0.00 N ATOM 1030 CA SER A 75 10.945 5.845 -3.526 1.00 0.00 C ATOM 1031 C SER A 75 9.516 5.341 -3.311 1.00 0.00 C ATOM 1032 O SER A 75 8.655 6.086 -2.845 1.00 0.00 O ATOM 1033 CB SER A 75 11.327 5.739 -5.004 1.00 0.00 C ATOM 1034 OG SER A 75 12.491 6.503 -5.310 1.00 0.00 O ATOM 0 H SER A 75 12.758 4.868 -3.136 1.00 0.00 H new ATOM 0 HA SER A 75 11.001 6.895 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.502 4.694 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.495 6.083 -5.619 1.00 0.00 H new ATOM 0 HG SER A 75 13.251 5.900 -5.450 1.00 0.00 H new ATOM 1040 N ALA A 76 9.308 4.080 -3.660 1.00 0.00 N ATOM 1041 CA ALA A 76 7.999 3.468 -3.510 1.00 0.00 C ATOM 1042 C ALA A 76 7.437 3.807 -2.128 1.00 0.00 C ATOM 1043 O ALA A 76 6.326 4.322 -2.015 1.00 0.00 O ATOM 1044 CB ALA A 76 8.111 1.960 -3.740 1.00 0.00 C ATOM 0 H ALA A 76 10.024 3.465 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 76 7.305 3.860 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.129 1.501 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.486 1.772 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.798 1.531 -3.011 1.00 0.00 H new ATOM 1050 N VAL A 77 8.231 3.505 -1.111 1.00 0.00 N ATOM 1051 CA VAL A 77 7.827 3.771 0.259 1.00 0.00 C ATOM 1052 C VAL A 77 7.471 5.253 0.402 1.00 0.00 C ATOM 1053 O VAL A 77 6.409 5.592 0.921 1.00 0.00 O ATOM 1054 CB VAL A 77 8.925 3.324 1.225 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.540 3.631 2.673 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.242 1.838 1.045 1.00 0.00 C ATOM 0 H VAL A 77 9.152 3.078 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 77 6.936 3.196 0.513 1.00 0.00 H new ATOM 0 HB VAL A 77 9.827 3.890 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.338 3.303 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.388 4.704 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.619 3.105 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.026 1.546 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.346 1.249 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.581 1.659 0.024 1.00 0.00 H new ATOM 1066 N LYS A 78 8.380 6.095 -0.067 1.00 0.00 N ATOM 1067 CA LYS A 78 8.175 7.532 0.002 1.00 0.00 C ATOM 1068 C LYS A 78 6.732 7.856 -0.387 1.00 0.00 C ATOM 1069 O LYS A 78 6.158 8.830 0.100 1.00 0.00 O ATOM 1070 CB LYS A 78 9.219 8.263 -0.844 1.00 0.00 C ATOM 1071 CG LYS A 78 10.024 9.247 0.007 1.00 0.00 C ATOM 1072 CD LYS A 78 10.520 10.423 -0.836 1.00 0.00 C ATOM 1073 CE LYS A 78 10.318 11.749 -0.099 1.00 0.00 C ATOM 1074 NZ LYS A 78 10.268 12.873 -1.060 1.00 0.00 N ATOM 0 H LYS A 78 9.260 5.810 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 78 8.318 7.889 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.892 7.539 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.725 8.798 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.405 9.617 0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.874 8.734 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.577 10.289 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.986 10.445 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.394 11.714 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.131 11.905 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.131 13.765 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.161 12.915 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.478 12.730 -1.721 1.00 0.00 H new ATOM 1088 N VAL A 79 6.186 7.022 -1.260 1.00 0.00 N ATOM 1089 CA VAL A 79 4.820 7.208 -1.719 1.00 0.00 C ATOM 1090 C VAL A 79 3.867 6.444 -0.797 1.00 0.00 C ATOM 1091 O VAL A 79 2.824 6.966 -0.407 1.00 0.00 O ATOM 1092 CB VAL A 79 4.699 6.787 -3.185 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.773 5.578 -3.333 1.00 0.00 C ATOM 1094 CG2 VAL A 79 4.221 7.953 -4.053 1.00 0.00 C ATOM 0 H VAL A 79 6.665 6.216 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 79 4.542 8.261 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 79 5.690 6.495 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.704 5.299 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.173 4.741 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.781 5.832 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.144 7.627 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.245 8.290 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.934 8.775 -3.983 1.00 0.00 H new ATOM 1104 N LEU A 80 4.262 5.221 -0.474 1.00 0.00 N ATOM 1105 CA LEU A 80 3.456 4.380 0.395 1.00 0.00 C ATOM 1106 C LEU A 80 3.322 5.050 1.764 1.00 0.00 C ATOM 1107 O LEU A 80 2.485 4.653 2.574 1.00 0.00 O ATOM 1108 CB LEU A 80 4.034 2.965 0.457 1.00 0.00 C ATOM 1109 CG LEU A 80 4.192 2.246 -0.884 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.089 1.015 -0.744 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.828 1.895 -1.483 1.00 0.00 C ATOM 0 H LEU A 80 5.129 4.793 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 80 2.449 4.271 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.011 3.014 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.393 2.360 1.098 1.00 0.00 H new ATOM 0 HG LEU A 80 4.684 2.926 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.185 0.522 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.075 1.321 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.648 0.323 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.969 1.385 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.287 1.242 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.255 2.808 -1.642 1.00 0.00 H new ATOM 1123 N THR A 81 4.158 6.055 1.980 1.00 0.00 N ATOM 1124 CA THR A 81 4.143 6.784 3.237 1.00 0.00 C ATOM 1125 C THR A 81 3.573 8.189 3.032 1.00 0.00 C ATOM 1126 O THR A 81 3.339 8.914 3.997 1.00 0.00 O ATOM 1127 CB THR A 81 5.564 6.780 3.802 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.459 7.527 5.012 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.537 7.594 2.946 1.00 0.00 C ATOM 0 H THR A 81 4.850 6.382 1.306 1.00 0.00 H new ATOM 0 HA THR A 81 3.488 6.305 3.965 1.00 0.00 H new ATOM 0 HB THR A 81 5.920 5.753 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.795 8.239 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.531 7.558 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.575 7.175 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.199 8.629 2.896 1.00 0.00 H new ATOM 1137 N SER A 82 3.368 8.531 1.769 1.00 0.00 N ATOM 1138 CA SER A 82 2.831 9.836 1.425 1.00 0.00 C ATOM 1139 C SER A 82 1.541 9.675 0.618 1.00 0.00 C ATOM 1140 O SER A 82 1.575 9.616 -0.610 1.00 0.00 O ATOM 1141 CB SER A 82 3.850 10.661 0.636 1.00 0.00 C ATOM 1142 OG SER A 82 3.375 11.976 0.361 1.00 0.00 O ATOM 0 H SER A 82 3.564 7.927 0.971 1.00 0.00 H new ATOM 0 HA SER A 82 2.610 10.369 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.781 10.722 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.078 10.155 -0.302 1.00 0.00 H new ATOM 0 HG SER A 82 4.055 12.471 -0.142 1.00 0.00 H new ATOM 1148 N SER A 83 0.433 9.610 1.341 1.00 0.00 N ATOM 1149 CA SER A 83 -0.866 9.457 0.708 1.00 0.00 C ATOM 1150 C SER A 83 -1.878 8.908 1.716 1.00 0.00 C ATOM 1151 O SER A 83 -1.612 7.914 2.390 1.00 0.00 O ATOM 1152 CB SER A 83 -0.780 8.537 -0.511 1.00 0.00 C ATOM 1153 OG SER A 83 -0.543 9.264 -1.713 1.00 0.00 O ATOM 0 H SER A 83 0.408 9.660 2.359 1.00 0.00 H new ATOM 0 HA SER A 83 -1.197 10.438 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.020 7.812 -0.362 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.708 7.973 -0.606 1.00 0.00 H new ATOM 0 HG SER A 83 0.279 9.790 -1.621 1.00 0.00 H new ATOM 1159 N SER A 84 -3.018 9.580 1.788 1.00 0.00 N ATOM 1160 CA SER A 84 -4.071 9.173 2.703 1.00 0.00 C ATOM 1161 C SER A 84 -5.027 8.205 2.002 1.00 0.00 C ATOM 1162 O SER A 84 -6.177 8.057 2.412 1.00 0.00 O ATOM 1163 CB SER A 84 -4.838 10.385 3.235 1.00 0.00 C ATOM 1164 OG SER A 84 -3.964 11.385 3.751 1.00 0.00 O ATOM 0 H SER A 84 -3.235 10.404 1.227 1.00 0.00 H new ATOM 0 HA SER A 84 -3.610 8.668 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.444 10.811 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.525 10.064 4.018 1.00 0.00 H new ATOM 0 HG SER A 84 -4.492 12.143 4.079 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.516 7.572 0.957 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.310 6.622 0.195 1.00 0.00 C ATOM 1172 C ARG A 85 -4.477 6.026 -0.942 1.00 0.00 C ATOM 1173 O ARG A 85 -4.541 6.498 -2.076 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.555 7.291 -0.390 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.828 6.735 0.252 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.966 6.652 -0.768 1.00 0.00 C ATOM 1177 NE ARG A 85 -10.231 7.113 -0.153 1.00 0.00 N ATOM 1178 CZ ARG A 85 -10.566 8.402 0.000 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -9.732 9.365 -0.415 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -11.735 8.727 0.568 1.00 0.00 N ATOM 0 H ARG A 85 -3.562 7.698 0.619 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.623 5.829 0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.503 8.368 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.587 7.130 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.630 5.745 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.127 7.371 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.731 7.264 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.076 5.626 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.889 6.406 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.842 9.117 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.987 10.346 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.370 7.994 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.990 9.708 0.685 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.716 4.997 -0.599 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.873 4.332 -1.577 1.00 0.00 C ATOM 1196 C LEU A 86 -3.696 3.278 -2.321 1.00 0.00 C ATOM 1197 O LEU A 86 -4.519 2.589 -1.720 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.617 3.771 -0.908 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.583 4.802 -0.450 1.00 0.00 C ATOM 1200 CD1 LEU A 86 0.206 4.289 0.757 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.335 5.208 -1.604 1.00 0.00 C ATOM 0 H LEU A 86 -3.666 4.608 0.343 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.519 5.045 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.922 3.183 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.134 3.086 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.114 5.699 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.934 5.041 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.479 4.091 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.725 3.369 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.060 5.941 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.860 4.329 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.260 5.643 -2.407 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.445 3.185 -3.619 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.152 2.227 -4.451 1.00 0.00 C ATOM 1215 C HIS A 87 -3.147 1.287 -5.120 1.00 0.00 C ATOM 1216 O HIS A 87 -2.669 1.564 -6.219 1.00 0.00 O ATOM 1217 CB HIS A 87 -5.054 2.944 -5.458 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.523 2.635 -5.296 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.504 3.611 -5.335 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.168 1.450 -5.095 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.681 3.029 -5.163 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.471 1.689 -5.014 1.00 0.00 N ATOM 0 H HIS A 87 -2.762 3.758 -4.114 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.809 1.617 -3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.907 4.020 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.745 2.670 -6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.698 0.481 -5.015 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.639 3.527 -5.144 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.196 0.987 -4.865 1.00 0.00 H new ATOM 1230 N MET A 88 -2.856 0.196 -4.428 1.00 0.00 N ATOM 1231 CA MET A 88 -1.916 -0.787 -4.941 1.00 0.00 C ATOM 1232 C MET A 88 -2.639 -1.868 -5.747 1.00 0.00 C ATOM 1233 O MET A 88 -3.748 -2.270 -5.399 1.00 0.00 O ATOM 1234 CB MET A 88 -1.168 -1.435 -3.774 1.00 0.00 C ATOM 1235 CG MET A 88 -0.638 -0.375 -2.806 1.00 0.00 C ATOM 1236 SD MET A 88 0.468 -1.126 -1.624 1.00 0.00 S ATOM 1237 CE MET A 88 -0.595 -1.175 -0.191 1.00 0.00 C ATOM 0 H MET A 88 -3.254 -0.030 -3.516 1.00 0.00 H new ATOM 0 HA MET A 88 -1.211 -0.280 -5.599 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.834 -2.116 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.339 -2.032 -4.155 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.116 0.406 -3.359 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.469 0.103 -2.287 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.082 -1.683 0.626 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.843 -0.158 0.113 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.510 -1.714 -0.435 1.00 0.00 H new ATOM 1247 N MET A 89 -1.980 -2.307 -6.810 1.00 0.00 N ATOM 1248 CA MET A 89 -2.546 -3.333 -7.669 1.00 0.00 C ATOM 1249 C MET A 89 -1.554 -4.478 -7.882 1.00 0.00 C ATOM 1250 O MET A 89 -0.477 -4.276 -8.442 1.00 0.00 O ATOM 1251 CB MET A 89 -2.916 -2.720 -9.022 1.00 0.00 C ATOM 1252 CG MET A 89 -3.542 -1.336 -8.843 1.00 0.00 C ATOM 1253 SD MET A 89 -4.966 -1.443 -7.772 1.00 0.00 S ATOM 1254 CE MET A 89 -6.189 -2.016 -8.939 1.00 0.00 C ATOM 0 H MET A 89 -1.060 -1.971 -7.095 1.00 0.00 H new ATOM 0 HA MET A 89 -3.437 -3.734 -7.186 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.026 -2.643 -9.646 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.615 -3.375 -9.543 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.809 -0.649 -8.420 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.835 -0.932 -9.812 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.065 -1.369 -8.895 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.771 -1.993 -9.945 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.479 -3.037 -8.690 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.951 -5.656 -7.423 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.111 -6.833 -7.556 1.00 0.00 C ATOM 1266 C VAL A 90 -1.635 -7.703 -8.701 1.00 0.00 C ATOM 1267 O VAL A 90 -2.806 -7.613 -9.067 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.041 -7.580 -6.222 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.400 -6.710 -5.139 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.428 -8.060 -5.789 1.00 0.00 C ATOM 0 H VAL A 90 -2.844 -5.820 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.090 -6.546 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.411 -8.458 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.363 -7.265 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.612 -6.439 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.992 -5.805 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.350 -8.588 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.091 -7.202 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.833 -8.733 -6.545 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.742 -8.524 -9.234 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.100 -9.408 -10.330 1.00 0.00 C ATOM 1282 C ARG A 91 -1.127 -10.861 -9.852 1.00 0.00 C ATOM 1283 O ARG A 91 -0.111 -11.390 -9.403 1.00 0.00 O ATOM 1284 CB ARG A 91 -0.109 -9.278 -11.489 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.490 -8.115 -12.408 1.00 0.00 C ATOM 1286 CD ARG A 91 0.313 -8.160 -13.709 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.201 -7.144 -14.655 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.089 -5.838 -14.586 1.00 0.00 C ATOM 1289 NH1 ARG A 91 0.890 -5.380 -13.614 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -0.422 -4.989 -15.488 1.00 0.00 N ATOM 0 H ARG A 91 0.228 -8.596 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.091 -9.118 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.896 -9.122 -11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.088 -10.206 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.556 -8.158 -12.632 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.310 -7.169 -11.897 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.367 -7.976 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.244 -9.152 -14.155 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.815 -7.458 -15.407 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.279 -6.026 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.111 -4.386 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.032 -5.337 -16.228 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.201 -3.995 -15.435 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.301 -11.466 -9.965 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.473 -12.848 -9.550 1.00 0.00 C ATOM 1306 C ARG A 92 -2.947 -13.701 -10.729 1.00 0.00 C ATOM 1307 O ARG A 92 -3.683 -13.222 -11.590 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.488 -12.958 -8.410 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.233 -14.210 -7.568 1.00 0.00 C ATOM 1310 CD ARG A 92 -4.543 -14.773 -7.012 1.00 0.00 C ATOM 1311 NE ARG A 92 -4.656 -14.462 -5.570 1.00 0.00 N ATOM 1312 CZ ARG A 92 -5.552 -15.024 -4.748 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -6.419 -15.930 -5.221 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -5.581 -14.681 -3.453 1.00 0.00 N ATOM 0 H ARG A 92 -3.142 -11.025 -10.338 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.507 -13.212 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.428 -12.072 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.498 -12.990 -8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.737 -14.967 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.559 -13.969 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.389 -14.348 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.578 -15.852 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.011 -13.776 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.396 -16.191 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.101 -16.358 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.921 -13.992 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.263 -15.109 -2.827 1.00 0.00 H new ATOM 1328 N MET A 93 -2.505 -14.950 -10.729 1.00 0.00 N ATOM 1329 CA MET A 93 -2.875 -15.874 -11.787 1.00 0.00 C ATOM 1330 C MET A 93 -3.818 -16.959 -11.264 1.00 0.00 C ATOM 1331 O MET A 93 -4.382 -17.725 -12.043 1.00 0.00 O ATOM 1332 CB MET A 93 -1.614 -16.526 -12.359 1.00 0.00 C ATOM 1333 CG MET A 93 -0.864 -17.309 -11.280 1.00 0.00 C ATOM 1334 SD MET A 93 -0.082 -18.744 -11.999 1.00 0.00 S ATOM 1335 CE MET A 93 -1.519 -19.754 -12.317 1.00 0.00 C ATOM 0 H MET A 93 -1.894 -15.343 -10.013 1.00 0.00 H new ATOM 0 HA MET A 93 -3.392 -15.315 -12.567 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.885 -17.194 -13.176 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.961 -15.759 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.114 -16.672 -10.812 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.555 -17.616 -10.495 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.245 -20.807 -12.251 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.290 -19.532 -11.579 1.00 0.00 H new ATOM 0 HE3 MET A 93 -1.900 -19.540 -13.316 1.00 0.00 H new ATOM 1345 N GLY A 94 -3.960 -16.990 -9.947 1.00 0.00 N ATOM 1346 CA GLY A 94 -4.825 -17.968 -9.310 1.00 0.00 C ATOM 1347 C GLY A 94 -4.013 -18.948 -8.461 1.00 0.00 C ATOM 1348 O GLY A 94 -3.453 -19.911 -8.983 1.00 0.00 O ATOM 0 H GLY A 94 -3.490 -16.353 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.557 -17.458 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.383 -18.515 -10.070 1.00 0.00 H new ATOM 1352 N SER A 95 -3.975 -18.669 -7.166 1.00 0.00 N ATOM 1353 CA SER A 95 -3.240 -19.514 -6.240 1.00 0.00 C ATOM 1354 C SER A 95 -3.197 -18.860 -4.857 1.00 0.00 C ATOM 1355 O SER A 95 -3.151 -17.636 -4.747 1.00 0.00 O ATOM 1356 CB SER A 95 -1.821 -19.782 -6.745 1.00 0.00 C ATOM 1357 OG SER A 95 -1.619 -21.155 -7.067 1.00 0.00 O ATOM 0 H SER A 95 -4.441 -17.870 -6.736 1.00 0.00 H new ATOM 0 HA SER A 95 -3.756 -20.471 -6.167 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.629 -19.171 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.102 -19.479 -5.984 1.00 0.00 H new ATOM 0 HG SER A 95 -2.117 -21.377 -7.881 1.00 0.00 H new ATOM 1363 N GLY A 96 -3.213 -19.706 -3.837 1.00 0.00 N ATOM 1364 CA GLY A 96 -3.176 -19.225 -2.466 1.00 0.00 C ATOM 1365 C GLY A 96 -2.444 -20.216 -1.558 1.00 0.00 C ATOM 1366 O GLY A 96 -2.864 -21.363 -1.419 1.00 0.00 O ATOM 0 H GLY A 96 -3.251 -20.721 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.678 -18.256 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.192 -19.074 -2.102 1.00 0.00 H new ATOM 1370 N PRO A 97 -1.333 -19.723 -0.947 1.00 0.00 N ATOM 1371 CA PRO A 97 -0.540 -20.552 -0.056 1.00 0.00 C ATOM 1372 C PRO A 97 -1.241 -20.736 1.291 1.00 0.00 C ATOM 1373 O PRO A 97 -2.107 -19.944 1.658 1.00 0.00 O ATOM 1374 CB PRO A 97 0.796 -19.835 0.063 1.00 0.00 C ATOM 1375 CG PRO A 97 0.543 -18.405 -0.388 1.00 0.00 C ATOM 1376 CD PRO A 97 -0.806 -18.369 -1.088 1.00 0.00 C ATOM 0 HA PRO A 97 -0.402 -21.564 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.164 -19.862 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.553 -20.313 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.548 -17.729 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.332 -18.072 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.470 -17.636 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.701 -18.092 -2.137 1.00 0.00 H new ATOM 1384 N SER A 98 -0.840 -21.787 1.992 1.00 0.00 N ATOM 1385 CA SER A 98 -1.419 -22.085 3.291 1.00 0.00 C ATOM 1386 C SER A 98 -0.412 -22.855 4.148 1.00 0.00 C ATOM 1387 O SER A 98 0.284 -23.739 3.652 1.00 0.00 O ATOM 1388 CB SER A 98 -2.714 -22.887 3.145 1.00 0.00 C ATOM 1389 OG SER A 98 -3.614 -22.647 4.223 1.00 0.00 O ATOM 0 H SER A 98 -0.121 -22.442 1.685 1.00 0.00 H new ATOM 0 HA SER A 98 -1.660 -21.143 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.198 -22.626 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.479 -23.950 3.099 1.00 0.00 H new ATOM 0 HG SER A 98 -4.429 -23.175 4.093 1.00 0.00 H new ATOM 1395 N SER A 99 -0.367 -22.490 5.421 1.00 0.00 N ATOM 1396 CA SER A 99 0.543 -23.135 6.353 1.00 0.00 C ATOM 1397 C SER A 99 0.387 -22.522 7.746 1.00 0.00 C ATOM 1398 O SER A 99 0.072 -23.225 8.705 1.00 0.00 O ATOM 1399 CB SER A 99 1.993 -23.014 5.879 1.00 0.00 C ATOM 1400 OG SER A 99 2.528 -24.270 5.472 1.00 0.00 O ATOM 0 H SER A 99 -0.946 -21.756 5.829 1.00 0.00 H new ATOM 0 HA SER A 99 0.291 -24.194 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.045 -22.311 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.604 -22.603 6.683 1.00 0.00 H new ATOM 0 HG SER A 99 2.004 -24.621 4.722 1.00 0.00 H new ATOM 1406 N GLY A 100 0.614 -21.219 7.813 1.00 0.00 N ATOM 1407 CA GLY A 100 0.502 -20.504 9.073 1.00 0.00 C ATOM 1408 C GLY A 100 -0.118 -19.120 8.866 1.00 0.00 C ATOM 1409 O GLY A 100 -0.945 -18.681 9.663 1.00 0.00 O ATOM 0 H GLY A 100 0.875 -20.639 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.109 -21.080 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.488 -20.400 9.525 1.00 0.00 H new TER 1413 GLY A 100