USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -169:sc= 0.672 USER MOD Set 1.2: A 94 SER OG : rot -6:sc= 0.522 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0.264 USER MOD Set 2.2: A 98 THR OG1 : rot 170:sc= 1.68 USER MOD Set 3.1: A 41 TYR OH : rot 4:sc= 1.36 USER MOD Set 3.2: A 53 HIS : no HD1:sc= 1.43 K(o=4.1,f=-5.7!) USER MOD Set 3.3: A 85 SER OG : rot -68:sc= 1.26 USER MOD Set 4.1: A 34 SER OG : rot -123:sc= 1.12 USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= 0.622 USER MOD Set 4.3: A 86 GLN : amide:sc= 0.0457 K(o=1.8,f=0.61) USER MOD Single : A 1 THR N :NH3+ 144:sc= 0.0579 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -47:sc= 0.00402 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.00859 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0013 X(o=-0.0013,f=-0.0013) USER MOD Single : A 43 SER OG : rot 169:sc= -0.786 USER MOD Single : A 45 SER OG : rot 82:sc= 1.03 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00823 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.291 K(o=-0.29,f=-4.5!) USER MOD Single : A 60 SER OG : rot -38:sc= 0.027 USER MOD Single : A 68 SER OG : rot -67:sc= 0.544 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.254 USER MOD Single : A 81 ASN : amide:sc= 1.1 K(o=1.1,f=-0.16) USER MOD Single : A 84 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.029) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 50:sc= 0.239 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.989 -7.777 -2.002 1.00 0.00 N ATOM 2 CA THR A 1 -17.939 -6.776 -2.215 1.00 0.00 C ATOM 3 C THR A 1 -16.595 -7.437 -1.910 1.00 0.00 C ATOM 4 O THR A 1 -16.501 -8.229 -0.973 1.00 0.00 O ATOM 5 CB THR A 1 -18.214 -5.456 -1.462 1.00 0.00 C ATOM 6 OG1 THR A 1 -17.137 -4.561 -1.661 1.00 0.00 O ATOM 7 CG2 THR A 1 -18.478 -5.599 0.042 1.00 0.00 C ATOM 0 H1 THR A 1 -19.832 -7.316 -1.604 1.00 0.00 H new ATOM 0 H2 THR A 1 -19.233 -8.222 -2.910 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.647 -8.504 -1.341 1.00 0.00 H new ATOM 0 HA THR A 1 -17.920 -6.451 -3.255 1.00 0.00 H new ATOM 0 HB THR A 1 -19.142 -5.075 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 1 -17.315 -3.724 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 1 -18.659 -4.615 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.352 -6.231 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 1 -17.611 -6.052 0.522 1.00 0.00 H new ATOM 16 N ALA A 2 -15.585 -7.204 -2.745 1.00 0.00 N ATOM 17 CA ALA A 2 -14.396 -8.040 -2.838 1.00 0.00 C ATOM 18 C ALA A 2 -13.155 -7.152 -2.970 1.00 0.00 C ATOM 19 O ALA A 2 -13.281 -6.003 -3.402 1.00 0.00 O ATOM 20 CB ALA A 2 -14.542 -8.937 -4.076 1.00 0.00 C ATOM 0 H ALA A 2 -15.572 -6.412 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.287 -8.655 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.663 -9.575 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.432 -9.558 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.635 -8.316 -4.967 1.00 0.00 H new ATOM 26 N PRO A 3 -11.967 -7.647 -2.591 1.00 0.00 N ATOM 27 CA PRO A 3 -10.710 -6.937 -2.779 1.00 0.00 C ATOM 28 C PRO A 3 -10.298 -6.938 -4.258 1.00 0.00 C ATOM 29 O PRO A 3 -10.930 -7.597 -5.095 1.00 0.00 O ATOM 30 CB PRO A 3 -9.702 -7.707 -1.920 1.00 0.00 C ATOM 31 CG PRO A 3 -10.213 -9.138 -2.005 1.00 0.00 C ATOM 32 CD PRO A 3 -11.724 -8.945 -1.976 1.00 0.00 C ATOM 0 HA PRO A 3 -10.777 -5.888 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.687 -7.616 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.685 -7.344 -0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.884 -9.634 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.864 -9.745 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.231 -9.739 -2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.103 -8.971 -0.954 1.00 0.00 H new ATOM 40 N ILE A 4 -9.189 -6.273 -4.582 1.00 0.00 N ATOM 41 CA ILE A 4 -8.644 -6.197 -5.931 1.00 0.00 C ATOM 42 C ILE A 4 -7.388 -7.062 -5.909 1.00 0.00 C ATOM 43 O ILE A 4 -6.449 -6.779 -5.165 1.00 0.00 O ATOM 44 CB ILE A 4 -8.286 -4.748 -6.365 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.401 -3.691 -6.196 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.907 -4.772 -7.858 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.489 -3.093 -4.788 1.00 0.00 C ATOM 0 H ILE A 4 -8.634 -5.762 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.386 -6.539 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.477 -4.446 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.234 -2.886 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.359 -4.146 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.652 -3.764 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.050 -5.429 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.751 -5.140 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.296 -2.361 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.688 -3.886 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.546 -2.606 -4.540 1.00 0.00 H new ATOM 59 N ALA A 5 -7.361 -8.114 -6.723 1.00 0.00 N ATOM 60 CA ALA A 5 -6.169 -8.926 -6.872 1.00 0.00 C ATOM 61 C ALA A 5 -5.316 -8.188 -7.896 1.00 0.00 C ATOM 62 O ALA A 5 -5.714 -8.052 -9.057 1.00 0.00 O ATOM 63 CB ALA A 5 -6.537 -10.337 -7.336 1.00 0.00 C ATOM 0 H ALA A 5 -8.154 -8.420 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.629 -9.057 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.631 -10.933 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.193 -10.803 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.050 -10.282 -8.296 1.00 0.00 H new ATOM 69 N ILE A 6 -4.192 -7.639 -7.456 1.00 0.00 N ATOM 70 CA ILE A 6 -3.287 -6.847 -8.272 1.00 0.00 C ATOM 71 C ILE A 6 -2.134 -7.746 -8.717 1.00 0.00 C ATOM 72 O ILE A 6 -1.833 -8.737 -8.065 1.00 0.00 O ATOM 73 CB ILE A 6 -2.896 -5.556 -7.513 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.570 -5.639 -6.002 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.066 -4.572 -7.646 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.210 -6.249 -5.684 1.00 0.00 C ATOM 0 H ILE A 6 -3.877 -7.737 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.751 -6.486 -9.190 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.954 -5.267 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.613 -4.636 -5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.343 -6.227 -5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.825 -3.647 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.242 -4.356 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.963 -5.013 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.064 -6.269 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.167 -7.266 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.425 -5.650 -6.146 1.00 0.00 H new ATOM 88 N THR A 7 -1.416 -7.396 -9.781 1.00 0.00 N ATOM 89 CA THR A 7 -0.394 -8.286 -10.342 1.00 0.00 C ATOM 90 C THR A 7 0.956 -8.168 -9.606 1.00 0.00 C ATOM 91 O THR A 7 2.012 -8.488 -10.149 1.00 0.00 O ATOM 92 CB THR A 7 -0.360 -8.030 -11.862 1.00 0.00 C ATOM 93 OG1 THR A 7 0.213 -9.115 -12.555 1.00 0.00 O ATOM 94 CG2 THR A 7 0.351 -6.731 -12.258 1.00 0.00 C ATOM 0 H THR A 7 -1.519 -6.508 -10.272 1.00 0.00 H new ATOM 0 HA THR A 7 -0.642 -9.336 -10.186 1.00 0.00 H new ATOM 0 HB THR A 7 -1.405 -7.921 -12.152 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.044 -9.385 -12.111 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.333 -6.622 -13.342 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.158 -5.883 -11.800 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.385 -6.762 -11.914 1.00 0.00 H new ATOM 102 N CYS A 8 0.937 -7.680 -8.361 1.00 0.00 N ATOM 103 CA CYS A 8 2.091 -7.365 -7.521 1.00 0.00 C ATOM 104 C CYS A 8 3.113 -6.407 -8.166 1.00 0.00 C ATOM 105 O CYS A 8 4.178 -6.179 -7.609 1.00 0.00 O ATOM 106 CB CYS A 8 2.728 -8.666 -7.021 1.00 0.00 C ATOM 107 SG CYS A 8 1.852 -9.557 -5.706 1.00 0.00 S ATOM 0 H CYS A 8 0.057 -7.483 -7.885 1.00 0.00 H new ATOM 0 HA CYS A 8 1.721 -6.797 -6.667 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.838 -9.339 -7.872 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.732 -8.437 -6.665 1.00 0.00 H new ATOM 112 N PHE A 9 2.764 -5.743 -9.267 1.00 0.00 N ATOM 113 CA PHE A 9 3.587 -4.704 -9.888 1.00 0.00 C ATOM 114 C PHE A 9 2.814 -3.378 -9.896 1.00 0.00 C ATOM 115 O PHE A 9 3.360 -2.312 -10.180 1.00 0.00 O ATOM 116 CB PHE A 9 4.044 -5.146 -11.284 1.00 0.00 C ATOM 117 CG PHE A 9 5.074 -4.208 -11.883 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.340 -4.083 -11.281 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.750 -3.408 -12.995 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.254 -3.128 -11.755 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.674 -2.470 -13.480 1.00 0.00 C ATOM 122 CZ PHE A 9 6.916 -2.308 -12.843 1.00 0.00 C ATOM 0 H PHE A 9 1.888 -5.914 -9.761 1.00 0.00 H new ATOM 0 HA PHE A 9 4.496 -4.545 -9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.463 -6.150 -11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.179 -5.201 -11.945 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.609 -4.722 -10.453 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.789 -3.516 -13.476 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.219 -3.024 -11.281 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.430 -1.871 -14.345 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.608 -1.555 -13.189 1.00 0.00 H new ATOM 132 N THR A 10 1.528 -3.436 -9.558 1.00 0.00 N ATOM 133 CA THR A 10 0.633 -2.318 -9.377 1.00 0.00 C ATOM 134 C THR A 10 1.187 -1.408 -8.273 1.00 0.00 C ATOM 135 O THR A 10 1.498 -1.861 -7.169 1.00 0.00 O ATOM 136 CB THR A 10 -0.735 -2.914 -9.019 1.00 0.00 C ATOM 137 OG1 THR A 10 -1.104 -3.906 -9.971 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.829 -1.858 -8.953 1.00 0.00 C ATOM 0 H THR A 10 1.062 -4.329 -9.395 1.00 0.00 H new ATOM 0 HA THR A 10 0.536 -1.702 -10.271 1.00 0.00 H new ATOM 0 HB THR A 10 -0.635 -3.358 -8.029 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.073 -4.051 -9.934 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.777 -2.331 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.575 -1.118 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.920 -1.367 -9.922 1.00 0.00 H new ATOM 146 N ARG A 11 1.327 -0.123 -8.580 1.00 0.00 N ATOM 147 CA ARG A 11 1.740 0.933 -7.669 1.00 0.00 C ATOM 148 C ARG A 11 0.517 1.573 -7.038 1.00 0.00 C ATOM 149 O ARG A 11 -0.617 1.352 -7.474 1.00 0.00 O ATOM 150 CB ARG A 11 2.537 1.983 -8.467 1.00 0.00 C ATOM 151 CG ARG A 11 3.835 1.393 -9.051 1.00 0.00 C ATOM 152 CD ARG A 11 4.463 2.291 -10.117 1.00 0.00 C ATOM 153 NE ARG A 11 3.572 2.450 -11.278 1.00 0.00 N ATOM 154 CZ ARG A 11 3.852 3.112 -12.405 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.070 3.608 -12.598 1.00 0.00 N ATOM 156 NH2 ARG A 11 2.906 3.276 -13.322 1.00 0.00 N ATOM 0 H ARG A 11 1.145 0.226 -9.521 1.00 0.00 H new ATOM 0 HA ARG A 11 2.364 0.522 -6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.918 2.372 -9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.780 2.825 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.552 1.236 -8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.622 0.416 -9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.682 3.269 -9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.413 1.865 -10.441 1.00 0.00 H new ATOM 0 HE ARG A 11 2.652 2.013 -11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.790 3.483 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.285 4.113 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.972 2.898 -13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.113 3.780 -14.184 1.00 0.00 H new ATOM 170 N GLY A 12 0.765 2.440 -6.062 1.00 0.00 N ATOM 171 CA GLY A 12 -0.255 3.252 -5.427 1.00 0.00 C ATOM 172 C GLY A 12 -0.946 4.182 -6.422 1.00 0.00 C ATOM 173 O GLY A 12 -1.989 4.713 -6.085 1.00 0.00 O ATOM 0 H GLY A 12 1.700 2.598 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.997 2.603 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.196 3.844 -4.630 1.00 0.00 H new ATOM 177 N LEU A 13 -0.462 4.325 -7.661 1.00 0.00 N ATOM 178 CA LEU A 13 -1.071 5.173 -8.683 1.00 0.00 C ATOM 179 C LEU A 13 -2.413 4.583 -9.108 1.00 0.00 C ATOM 180 O LEU A 13 -3.373 5.323 -9.347 1.00 0.00 O ATOM 181 CB LEU A 13 -0.143 5.221 -9.915 1.00 0.00 C ATOM 182 CG LEU A 13 1.091 6.124 -9.728 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.229 5.697 -10.656 1.00 0.00 C ATOM 184 CD2 LEU A 13 0.752 7.587 -10.028 1.00 0.00 C ATOM 0 H LEU A 13 0.378 3.845 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.220 6.174 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.190 4.209 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.713 5.574 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 13 1.404 6.023 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.088 6.351 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.513 4.668 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.899 5.767 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.641 8.202 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.407 7.677 -11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.033 7.925 -9.352 1.00 0.00 H new ATOM 196 N ASP A 14 -2.481 3.259 -9.222 1.00 0.00 N ATOM 197 CA ASP A 14 -3.652 2.536 -9.696 1.00 0.00 C ATOM 198 C ASP A 14 -4.750 2.449 -8.633 1.00 0.00 C ATOM 199 O ASP A 14 -5.930 2.412 -8.993 1.00 0.00 O ATOM 200 CB ASP A 14 -3.247 1.119 -10.128 1.00 0.00 C ATOM 201 CG ASP A 14 -2.628 1.019 -11.529 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.146 2.035 -12.081 1.00 0.00 O ATOM 203 OD2 ASP A 14 -2.657 -0.099 -12.102 1.00 0.00 O ATOM 0 H ASP A 14 -1.702 2.646 -8.980 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.055 3.090 -10.544 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.534 0.724 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.128 0.478 -10.090 1.00 0.00 H new ATOM 208 N ILE A 15 -4.402 2.414 -7.339 1.00 0.00 N ATOM 209 CA ILE A 15 -5.343 2.196 -6.235 1.00 0.00 C ATOM 210 C ILE A 15 -5.224 3.327 -5.212 1.00 0.00 C ATOM 211 O ILE A 15 -4.358 3.302 -4.343 1.00 0.00 O ATOM 212 CB ILE A 15 -5.196 0.769 -5.646 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.482 -0.262 -6.767 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.164 0.567 -4.462 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.607 -1.721 -6.325 1.00 0.00 C ATOM 0 H ILE A 15 -3.439 2.539 -7.026 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.367 2.236 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.182 0.630 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.406 0.025 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.684 -0.195 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.045 -0.440 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.942 1.295 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.190 0.703 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.807 -2.348 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.677 -2.039 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.426 -1.816 -5.612 1.00 0.00 H new ATOM 227 N ARG A 16 -6.125 4.314 -5.306 1.00 0.00 N ATOM 228 CA ARG A 16 -6.139 5.517 -4.455 1.00 0.00 C ATOM 229 C ARG A 16 -7.524 5.779 -3.884 1.00 0.00 C ATOM 230 O ARG A 16 -7.894 6.927 -3.635 1.00 0.00 O ATOM 231 CB ARG A 16 -5.623 6.732 -5.241 1.00 0.00 C ATOM 232 CG ARG A 16 -4.184 6.486 -5.683 1.00 0.00 C ATOM 233 CD ARG A 16 -3.564 7.603 -6.507 1.00 0.00 C ATOM 234 NE ARG A 16 -4.225 7.702 -7.812 1.00 0.00 N ATOM 235 CZ ARG A 16 -5.178 8.575 -8.139 1.00 0.00 C ATOM 236 NH1 ARG A 16 -5.545 9.539 -7.302 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.786 8.465 -9.311 1.00 0.00 N ATOM 0 H ARG A 16 -6.882 4.300 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.471 5.344 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.255 6.910 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.675 7.627 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.570 6.325 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.151 5.565 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.654 8.550 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.499 7.414 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.929 7.045 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.095 9.621 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.276 10.197 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.524 7.717 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.516 9.128 -9.571 1.00 0.00 H new ATOM 251 N LYS A 17 -8.325 4.725 -3.738 1.00 0.00 N ATOM 252 CA LYS A 17 -9.674 4.849 -3.203 1.00 0.00 C ATOM 253 C LYS A 17 -9.556 5.097 -1.709 1.00 0.00 C ATOM 254 O LYS A 17 -8.488 4.886 -1.132 1.00 0.00 O ATOM 255 CB LYS A 17 -10.489 3.584 -3.502 1.00 0.00 C ATOM 256 CG LYS A 17 -10.432 3.097 -4.965 1.00 0.00 C ATOM 257 CD LYS A 17 -11.011 4.033 -6.044 1.00 0.00 C ATOM 258 CE LYS A 17 -10.205 5.323 -6.243 1.00 0.00 C ATOM 259 NZ LYS A 17 -10.329 5.880 -7.599 1.00 0.00 N ATOM 0 H LYS A 17 -8.058 3.772 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.200 5.680 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.135 2.782 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.530 3.771 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.390 2.899 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.960 2.146 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.058 3.495 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.035 4.293 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.538 6.067 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.154 5.123 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.763 6.749 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.986 5.185 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.327 6.100 -7.794 1.00 0.00 H new ATOM 273 N GLU A 18 -10.657 5.504 -1.083 1.00 0.00 N ATOM 274 CA GLU A 18 -10.663 5.908 0.312 1.00 0.00 C ATOM 275 C GLU A 18 -10.028 4.822 1.190 1.00 0.00 C ATOM 276 O GLU A 18 -9.190 5.114 2.052 1.00 0.00 O ATOM 277 CB GLU A 18 -12.080 6.267 0.755 1.00 0.00 C ATOM 278 CG GLU A 18 -12.033 7.167 1.993 1.00 0.00 C ATOM 279 CD GLU A 18 -11.962 8.644 1.597 1.00 0.00 C ATOM 280 OE1 GLU A 18 -11.191 9.013 0.680 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.753 9.431 2.166 1.00 0.00 O ATOM 0 H GLU A 18 -11.570 5.562 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.054 6.805 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.604 6.776 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.641 5.359 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.917 6.994 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.167 6.908 2.602 1.00 0.00 H new ATOM 288 N LYS A 19 -10.419 3.572 0.935 1.00 0.00 N ATOM 289 CA LYS A 19 -9.871 2.358 1.525 1.00 0.00 C ATOM 290 C LYS A 19 -10.152 1.242 0.530 1.00 0.00 C ATOM 291 O LYS A 19 -11.290 1.129 0.061 1.00 0.00 O ATOM 292 CB LYS A 19 -10.394 2.035 2.941 1.00 0.00 C ATOM 293 CG LYS A 19 -11.916 2.064 3.175 1.00 0.00 C ATOM 294 CD LYS A 19 -12.435 3.447 3.592 1.00 0.00 C ATOM 295 CE LYS A 19 -13.881 3.425 4.102 1.00 0.00 C ATOM 296 NZ LYS A 19 -14.844 2.905 3.108 1.00 0.00 N ATOM 0 H LYS A 19 -11.169 3.373 0.273 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.802 2.488 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.034 1.042 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.936 2.740 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.424 1.752 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.173 1.338 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.788 3.850 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.368 4.124 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.932 2.812 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.174 4.435 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.802 2.916 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.821 3.503 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.587 1.930 2.853 1.00 0.00 H new ATOM 310 N ALA A 20 -9.141 0.464 0.164 1.00 0.00 N ATOM 311 CA ALA A 20 -9.223 -0.598 -0.821 1.00 0.00 C ATOM 312 C ALA A 20 -8.457 -1.793 -0.277 1.00 0.00 C ATOM 313 O ALA A 20 -7.311 -1.660 0.155 1.00 0.00 O ATOM 314 CB ALA A 20 -8.624 -0.130 -2.149 1.00 0.00 C ATOM 0 H ALA A 20 -8.207 0.562 0.563 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.262 -0.873 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.690 -0.934 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.176 0.737 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.579 0.141 -2.001 1.00 0.00 H new ATOM 320 N ASP A 21 -9.086 -2.956 -0.323 1.00 0.00 N ATOM 321 CA ASP A 21 -8.510 -4.202 0.156 1.00 0.00 C ATOM 322 C ASP A 21 -7.875 -4.833 -1.078 1.00 0.00 C ATOM 323 O ASP A 21 -8.513 -4.850 -2.135 1.00 0.00 O ATOM 324 CB ASP A 21 -9.617 -5.099 0.735 1.00 0.00 C ATOM 325 CG ASP A 21 -10.429 -4.476 1.875 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.961 -3.539 2.556 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.584 -4.913 2.078 1.00 0.00 O ATOM 0 H ASP A 21 -10.027 -3.063 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.780 -4.056 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.300 -5.372 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.164 -6.022 1.095 1.00 0.00 H new ATOM 332 N VAL A 22 -6.626 -5.299 -1.008 1.00 0.00 N ATOM 333 CA VAL A 22 -5.929 -5.808 -2.190 1.00 0.00 C ATOM 334 C VAL A 22 -5.239 -7.141 -1.895 1.00 0.00 C ATOM 335 O VAL A 22 -4.731 -7.358 -0.800 1.00 0.00 O ATOM 336 CB VAL A 22 -4.963 -4.743 -2.771 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.673 -3.418 -3.087 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.771 -4.425 -1.857 1.00 0.00 C ATOM 0 H VAL A 22 -6.079 -5.334 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.669 -6.010 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.593 -5.202 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.953 -2.707 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.461 -3.593 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.110 -3.013 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.140 -3.672 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.136 -4.045 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.190 -5.332 -1.688 1.00 0.00 H new ATOM 348 N LEU A 23 -5.209 -8.045 -2.871 1.00 0.00 N ATOM 349 CA LEU A 23 -4.480 -9.310 -2.807 1.00 0.00 C ATOM 350 C LEU A 23 -3.283 -9.168 -3.718 1.00 0.00 C ATOM 351 O LEU A 23 -3.427 -8.688 -4.843 1.00 0.00 O ATOM 352 CB LEU A 23 -5.339 -10.528 -3.200 1.00 0.00 C ATOM 353 CG LEU A 23 -6.259 -11.114 -2.109 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.481 -12.115 -1.249 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.931 -10.085 -1.201 1.00 0.00 C ATOM 0 H LEU A 23 -5.705 -7.915 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.179 -9.503 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.959 -10.246 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.671 -11.319 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.067 -11.601 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.138 -12.523 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.111 -12.924 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.639 -11.610 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.555 -10.598 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.168 -9.504 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.549 -9.418 -1.802 1.00 0.00 H new ATOM 367 N CYS A 24 -2.119 -9.590 -3.235 1.00 0.00 N ATOM 368 CA CYS A 24 -0.882 -9.605 -3.985 1.00 0.00 C ATOM 369 C CYS A 24 -0.541 -11.079 -4.254 1.00 0.00 C ATOM 370 O CYS A 24 0.100 -11.708 -3.408 1.00 0.00 O ATOM 371 CB CYS A 24 0.206 -8.869 -3.183 1.00 0.00 C ATOM 372 SG CYS A 24 1.604 -8.257 -4.155 1.00 0.00 S ATOM 0 H CYS A 24 -2.014 -9.940 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.963 -9.085 -4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.254 -8.026 -2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.586 -9.543 -2.415 1.00 0.00 H new ATOM 377 N PRO A 25 -1.051 -11.699 -5.330 1.00 0.00 N ATOM 378 CA PRO A 25 -0.683 -13.049 -5.728 1.00 0.00 C ATOM 379 C PRO A 25 0.770 -13.140 -6.180 1.00 0.00 C ATOM 380 O PRO A 25 1.263 -12.287 -6.921 1.00 0.00 O ATOM 381 CB PRO A 25 -1.604 -13.409 -6.890 1.00 0.00 C ATOM 382 CG PRO A 25 -2.091 -12.058 -7.416 1.00 0.00 C ATOM 383 CD PRO A 25 -2.160 -11.240 -6.138 1.00 0.00 C ATOM 0 HA PRO A 25 -0.787 -13.730 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.073 -13.968 -7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.436 -14.031 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.401 -11.628 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.061 -12.135 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.078 -10.174 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.110 -11.392 -5.625 1.00 0.00 H new ATOM 391 N GLY A 26 1.403 -14.257 -5.841 1.00 0.00 N ATOM 392 CA GLY A 26 2.801 -14.508 -6.139 1.00 0.00 C ATOM 393 C GLY A 26 3.709 -14.044 -5.007 1.00 0.00 C ATOM 394 O GLY A 26 3.242 -13.534 -3.990 1.00 0.00 O ATOM 0 H GLY A 26 0.949 -15.023 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.951 -15.574 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.075 -13.993 -7.060 1.00 0.00 H new ATOM 398 N GLY A 27 5.013 -14.286 -5.145 1.00 0.00 N ATOM 399 CA GLY A 27 5.993 -14.016 -4.098 1.00 0.00 C ATOM 400 C GLY A 27 6.414 -12.550 -4.043 1.00 0.00 C ATOM 401 O GLY A 27 6.809 -12.075 -2.980 1.00 0.00 O ATOM 0 H GLY A 27 5.420 -14.678 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.576 -14.306 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.874 -14.636 -4.263 1.00 0.00 H new ATOM 405 N CYS A 28 6.243 -11.821 -5.153 1.00 0.00 N ATOM 406 CA CYS A 28 6.685 -10.447 -5.386 1.00 0.00 C ATOM 407 C CYS A 28 8.098 -10.194 -4.823 1.00 0.00 C ATOM 408 O CYS A 28 8.232 -9.577 -3.762 1.00 0.00 O ATOM 409 CB CYS A 28 5.642 -9.455 -4.864 1.00 0.00 C ATOM 410 SG CYS A 28 5.921 -7.765 -5.442 1.00 0.00 S ATOM 0 H CYS A 28 5.759 -12.205 -5.965 1.00 0.00 H new ATOM 0 HA CYS A 28 6.768 -10.288 -6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.650 -9.781 -5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.652 -9.466 -3.774 1.00 0.00 H new ATOM 415 N PRO A 29 9.148 -10.690 -5.504 1.00 0.00 N ATOM 416 CA PRO A 29 10.532 -10.606 -5.046 1.00 0.00 C ATOM 417 C PRO A 29 11.082 -9.181 -5.083 1.00 0.00 C ATOM 418 O PRO A 29 10.404 -8.267 -5.548 1.00 0.00 O ATOM 419 CB PRO A 29 11.317 -11.506 -5.998 1.00 0.00 C ATOM 420 CG PRO A 29 10.507 -11.502 -7.287 1.00 0.00 C ATOM 421 CD PRO A 29 9.073 -11.357 -6.796 1.00 0.00 C ATOM 0 HA PRO A 29 10.612 -10.916 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.325 -11.125 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.418 -12.514 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.794 -10.678 -7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.647 -12.422 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.478 -10.775 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.594 -12.331 -6.703 1.00 0.00 H new ATOM 429 N LEU A 30 12.330 -9.002 -4.628 1.00 0.00 N ATOM 430 CA LEU A 30 13.097 -7.754 -4.693 1.00 0.00 C ATOM 431 C LEU A 30 13.467 -7.459 -6.161 1.00 0.00 C ATOM 432 O LEU A 30 14.634 -7.491 -6.541 1.00 0.00 O ATOM 433 CB LEU A 30 14.376 -7.875 -3.832 1.00 0.00 C ATOM 434 CG LEU A 30 14.173 -7.966 -2.308 1.00 0.00 C ATOM 435 CD1 LEU A 30 15.499 -8.336 -1.633 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.676 -6.641 -1.720 1.00 0.00 C ATOM 0 H LEU A 30 12.854 -9.757 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 30 12.493 -6.934 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.923 -8.760 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.010 -7.014 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 30 13.419 -8.731 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.353 -8.400 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.843 -9.299 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.245 -7.573 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.545 -6.747 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.406 -5.857 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.723 -6.375 -2.177 1.00 0.00 H new ATOM 448 N GLU A 31 12.465 -7.228 -7.004 1.00 0.00 N ATOM 449 CA GLU A 31 12.603 -7.020 -8.440 1.00 0.00 C ATOM 450 C GLU A 31 12.656 -5.532 -8.789 1.00 0.00 C ATOM 451 O GLU A 31 13.582 -5.092 -9.464 1.00 0.00 O ATOM 452 CB GLU A 31 11.441 -7.748 -9.123 1.00 0.00 C ATOM 453 CG GLU A 31 11.595 -7.875 -10.642 1.00 0.00 C ATOM 454 CD GLU A 31 10.774 -9.063 -11.141 1.00 0.00 C ATOM 455 OE1 GLU A 31 11.259 -10.210 -11.009 1.00 0.00 O ATOM 456 OE2 GLU A 31 9.629 -8.874 -11.616 1.00 0.00 O ATOM 0 H GLU A 31 11.495 -7.179 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 31 13.547 -7.430 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.347 -8.745 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.514 -7.217 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.262 -6.959 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.645 -8.011 -10.902 1.00 0.00 H new ATOM 463 N GLU A 32 11.682 -4.748 -8.324 1.00 0.00 N ATOM 464 CA GLU A 32 11.636 -3.307 -8.527 1.00 0.00 C ATOM 465 C GLU A 32 10.927 -2.661 -7.336 1.00 0.00 C ATOM 466 O GLU A 32 9.697 -2.557 -7.373 1.00 0.00 O ATOM 467 CB GLU A 32 10.863 -2.915 -9.811 1.00 0.00 C ATOM 468 CG GLU A 32 11.596 -2.997 -11.159 1.00 0.00 C ATOM 469 CD GLU A 32 10.799 -2.285 -12.272 1.00 0.00 C ATOM 470 OE1 GLU A 32 10.341 -1.133 -12.065 1.00 0.00 O ATOM 471 OE2 GLU A 32 10.615 -2.863 -13.369 1.00 0.00 O ATOM 0 H GLU A 32 10.892 -5.107 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 32 12.665 -2.960 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.980 -3.551 -9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.510 -1.891 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.583 -2.543 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.750 -4.042 -11.429 1.00 0.00 H new ATOM 478 N PHE A 33 11.638 -2.267 -6.267 1.00 0.00 N ATOM 479 CA PHE A 33 10.998 -1.519 -5.197 1.00 0.00 C ATOM 480 C PHE A 33 11.816 -0.257 -4.984 1.00 0.00 C ATOM 481 O PHE A 33 12.965 -0.302 -4.553 1.00 0.00 O ATOM 482 CB PHE A 33 10.904 -2.304 -3.880 1.00 0.00 C ATOM 483 CG PHE A 33 10.181 -3.632 -3.923 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.005 -3.800 -4.677 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.702 -4.717 -3.198 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.411 -5.066 -4.776 1.00 0.00 C ATOM 487 CE2 PHE A 33 10.067 -5.968 -3.245 1.00 0.00 C ATOM 488 CZ PHE A 33 8.926 -6.143 -4.043 1.00 0.00 C ATOM 0 H PHE A 33 12.632 -2.453 -6.130 1.00 0.00 H new ATOM 0 HA PHE A 33 9.971 -1.301 -5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.917 -2.481 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.408 -1.672 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.560 -2.954 -5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.594 -4.588 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.555 -5.211 -5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.456 -6.794 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.445 -7.109 -4.092 1.00 0.00 H new ATOM 498 N SER A 34 11.199 0.867 -5.307 1.00 0.00 N ATOM 499 CA SER A 34 11.685 2.208 -5.075 1.00 0.00 C ATOM 500 C SER A 34 10.489 2.782 -4.343 1.00 0.00 C ATOM 501 O SER A 34 9.408 2.886 -4.935 1.00 0.00 O ATOM 502 CB SER A 34 12.036 2.929 -6.381 1.00 0.00 C ATOM 503 OG SER A 34 12.651 4.172 -6.093 1.00 0.00 O ATOM 0 H SER A 34 10.289 0.862 -5.767 1.00 0.00 H new ATOM 0 HA SER A 34 12.621 2.290 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.706 2.311 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.135 3.087 -6.973 1.00 0.00 H new ATOM 0 HG SER A 34 12.143 4.894 -6.518 1.00 0.00 H new ATOM 509 N VAL A 35 10.629 3.120 -3.072 1.00 0.00 N ATOM 510 CA VAL A 35 9.494 3.544 -2.275 1.00 0.00 C ATOM 511 C VAL A 35 9.755 5.006 -1.967 1.00 0.00 C ATOM 512 O VAL A 35 10.895 5.482 -2.015 1.00 0.00 O ATOM 513 CB VAL A 35 9.337 2.587 -1.073 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.178 2.968 -0.152 1.00 0.00 C ATOM 515 CG2 VAL A 35 9.057 1.160 -1.574 1.00 0.00 C ATOM 0 H VAL A 35 11.518 3.108 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 35 8.523 3.485 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 35 10.271 2.653 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.120 2.258 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.342 3.971 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.245 2.948 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.947 0.490 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.138 1.154 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.887 0.823 -2.196 1.00 0.00 H new ATOM 525 N TYR A 36 8.690 5.748 -1.703 1.00 0.00 N ATOM 526 CA TYR A 36 8.789 7.174 -1.536 1.00 0.00 C ATOM 527 C TYR A 36 7.981 7.584 -0.314 1.00 0.00 C ATOM 528 O TYR A 36 6.753 7.572 -0.366 1.00 0.00 O ATOM 529 CB TYR A 36 8.349 7.849 -2.834 1.00 0.00 C ATOM 530 CG TYR A 36 9.159 7.530 -4.081 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.957 6.327 -4.786 1.00 0.00 C ATOM 532 CD2 TYR A 36 10.121 8.451 -4.540 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.757 6.012 -5.897 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.928 8.142 -5.648 1.00 0.00 C ATOM 535 CZ TYR A 36 10.770 6.904 -6.311 1.00 0.00 C ATOM 536 OH TYR A 36 11.616 6.550 -7.318 1.00 0.00 O ATOM 0 H TYR A 36 7.746 5.375 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 36 9.813 7.496 -1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.311 7.576 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.372 8.928 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.183 5.643 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.239 9.400 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.597 5.089 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.668 8.849 -5.992 1.00 0.00 H new ATOM 0 HH TYR A 36 12.253 7.276 -7.480 1.00 0.00 H new ATOM 546 N GLY A 37 8.686 7.904 0.772 1.00 0.00 N ATOM 547 CA GLY A 37 8.143 8.209 2.082 1.00 0.00 C ATOM 548 C GLY A 37 7.798 6.928 2.835 1.00 0.00 C ATOM 549 O GLY A 37 7.433 5.922 2.224 1.00 0.00 O ATOM 0 H GLY A 37 9.704 7.958 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.866 8.790 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.251 8.826 1.977 1.00 0.00 H new ATOM 553 N ASN A 38 7.998 6.930 4.155 1.00 0.00 N ATOM 554 CA ASN A 38 7.587 5.832 5.024 1.00 0.00 C ATOM 555 C ASN A 38 6.227 6.234 5.603 1.00 0.00 C ATOM 556 O ASN A 38 6.016 7.421 5.860 1.00 0.00 O ATOM 557 CB ASN A 38 8.633 5.556 6.110 1.00 0.00 C ATOM 558 CG ASN A 38 8.535 6.499 7.299 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.990 7.635 7.250 1.00 0.00 O ATOM 560 ND2 ASN A 38 7.956 6.025 8.390 1.00 0.00 N ATOM 0 H ASN A 38 8.452 7.698 4.650 1.00 0.00 H new ATOM 0 HA ASN A 38 7.502 4.895 4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.520 4.530 6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.629 5.636 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.879 6.610 9.222 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.587 5.074 8.399 1.00 0.00 H new ATOM 567 N ILE A 39 5.342 5.269 5.878 1.00 0.00 N ATOM 568 CA ILE A 39 3.946 5.452 6.304 1.00 0.00 C ATOM 569 C ILE A 39 3.172 6.151 5.187 1.00 0.00 C ATOM 570 O ILE A 39 2.267 5.544 4.624 1.00 0.00 O ATOM 571 CB ILE A 39 3.778 6.109 7.697 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.376 5.268 8.844 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.294 6.377 8.000 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.673 3.926 9.089 1.00 0.00 C ATOM 0 H ILE A 39 5.593 4.283 5.806 1.00 0.00 H new ATOM 0 HA ILE A 39 3.511 4.465 6.462 1.00 0.00 H new ATOM 0 HB ILE A 39 4.331 7.047 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.427 5.078 8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.341 5.854 9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.201 6.838 8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.884 7.047 7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.744 5.436 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.161 3.405 9.912 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.627 4.104 9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.730 3.315 8.188 1.00 0.00 H new ATOM 586 N VAL A 40 3.484 7.411 4.891 1.00 0.00 N ATOM 587 CA VAL A 40 2.927 8.135 3.771 1.00 0.00 C ATOM 588 C VAL A 40 3.744 7.634 2.588 1.00 0.00 C ATOM 589 O VAL A 40 4.813 8.165 2.285 1.00 0.00 O ATOM 590 CB VAL A 40 3.092 9.649 3.986 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.637 10.474 2.772 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.267 10.118 5.184 1.00 0.00 C ATOM 0 H VAL A 40 4.145 7.961 5.440 1.00 0.00 H new ATOM 0 HA VAL A 40 1.858 7.975 3.628 1.00 0.00 H new ATOM 0 HB VAL A 40 4.158 9.808 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.776 11.535 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.228 10.195 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.583 10.278 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.398 11.192 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.214 9.900 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.600 9.597 6.082 1.00 0.00 H new ATOM 602 N TYR A 41 3.228 6.614 1.923 1.00 0.00 N ATOM 603 CA TYR A 41 3.796 6.091 0.707 1.00 0.00 C ATOM 604 C TYR A 41 3.200 6.949 -0.398 1.00 0.00 C ATOM 605 O TYR A 41 1.983 6.958 -0.597 1.00 0.00 O ATOM 606 CB TYR A 41 3.452 4.599 0.601 1.00 0.00 C ATOM 607 CG TYR A 41 4.098 3.801 1.722 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.492 3.645 1.726 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.351 3.343 2.822 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.152 3.056 2.815 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.003 2.774 3.933 1.00 0.00 C ATOM 612 CZ TYR A 41 5.411 2.635 3.938 1.00 0.00 C ATOM 613 OH TYR A 41 6.062 2.198 5.055 1.00 0.00 O ATOM 0 H TYR A 41 2.387 6.122 2.225 1.00 0.00 H new ATOM 0 HA TYR A 41 4.884 6.139 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.370 4.470 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.787 4.214 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.067 3.984 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.274 3.428 2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.224 2.926 2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.426 2.443 4.784 1.00 0.00 H new ATOM 0 HH TYR A 41 7.029 2.301 4.931 1.00 0.00 H new ATOM 623 N ALA A 42 4.024 7.738 -1.082 1.00 0.00 N ATOM 624 CA ALA A 42 3.552 8.494 -2.228 1.00 0.00 C ATOM 625 C ALA A 42 3.156 7.516 -3.330 1.00 0.00 C ATOM 626 O ALA A 42 3.736 6.432 -3.460 1.00 0.00 O ATOM 627 CB ALA A 42 4.605 9.484 -2.709 1.00 0.00 C ATOM 0 H ALA A 42 5.012 7.867 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 42 2.681 9.083 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.221 10.035 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.841 10.183 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.507 8.944 -2.997 1.00 0.00 H new ATOM 633 N SER A 43 2.217 7.964 -4.159 1.00 0.00 N ATOM 634 CA SER A 43 1.542 7.235 -5.222 1.00 0.00 C ATOM 635 C SER A 43 2.455 6.316 -6.049 1.00 0.00 C ATOM 636 O SER A 43 2.098 5.175 -6.336 1.00 0.00 O ATOM 637 CB SER A 43 0.863 8.296 -6.092 1.00 0.00 C ATOM 638 OG SER A 43 -0.167 7.732 -6.841 1.00 0.00 O ATOM 0 H SER A 43 1.883 8.926 -4.097 1.00 0.00 H new ATOM 0 HA SER A 43 0.826 6.540 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.467 9.092 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.596 8.752 -6.758 1.00 0.00 H new ATOM 0 HG SER A 43 -0.700 8.444 -7.252 1.00 0.00 H new ATOM 644 N VAL A 44 3.635 6.799 -6.436 1.00 0.00 N ATOM 645 CA VAL A 44 4.566 6.097 -7.315 1.00 0.00 C ATOM 646 C VAL A 44 5.118 4.790 -6.699 1.00 0.00 C ATOM 647 O VAL A 44 5.604 3.932 -7.437 1.00 0.00 O ATOM 648 CB VAL A 44 5.647 7.116 -7.759 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.311 7.850 -6.578 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.720 6.519 -8.679 1.00 0.00 C ATOM 0 H VAL A 44 3.978 7.713 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 44 4.048 5.733 -8.202 1.00 0.00 H new ATOM 0 HB VAL A 44 5.090 7.849 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.057 8.548 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.553 8.398 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.793 7.124 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.440 7.292 -8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.233 5.708 -8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.250 6.132 -9.583 1.00 0.00 H new ATOM 660 N SER A 45 5.029 4.604 -5.379 1.00 0.00 N ATOM 661 CA SER A 45 5.518 3.409 -4.700 1.00 0.00 C ATOM 662 C SER A 45 4.717 2.166 -5.115 1.00 0.00 C ATOM 663 O SER A 45 3.490 2.226 -5.226 1.00 0.00 O ATOM 664 CB SER A 45 5.404 3.604 -3.180 1.00 0.00 C ATOM 665 OG SER A 45 5.956 4.843 -2.761 1.00 0.00 O ATOM 0 H SER A 45 4.611 5.288 -4.749 1.00 0.00 H new ATOM 0 HA SER A 45 6.559 3.256 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.356 3.556 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.916 2.788 -2.670 1.00 0.00 H new ATOM 0 HG SER A 45 5.299 5.557 -2.898 1.00 0.00 H new ATOM 671 N SER A 46 5.396 1.033 -5.317 1.00 0.00 N ATOM 672 CA SER A 46 4.782 -0.263 -5.581 1.00 0.00 C ATOM 673 C SER A 46 3.902 -0.627 -4.384 1.00 0.00 C ATOM 674 O SER A 46 4.245 -0.286 -3.247 1.00 0.00 O ATOM 675 CB SER A 46 5.901 -1.293 -5.791 1.00 0.00 C ATOM 676 OG SER A 46 5.419 -2.620 -5.840 1.00 0.00 O ATOM 0 H SER A 46 6.415 0.995 -5.300 1.00 0.00 H new ATOM 0 HA SER A 46 4.160 -0.241 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.427 -1.068 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.627 -1.204 -4.983 1.00 0.00 H new ATOM 0 HG SER A 46 6.169 -3.236 -5.977 1.00 0.00 H new ATOM 682 N ILE A 47 2.796 -1.344 -4.609 1.00 0.00 N ATOM 683 CA ILE A 47 1.974 -1.847 -3.512 1.00 0.00 C ATOM 684 C ILE A 47 2.824 -2.846 -2.717 1.00 0.00 C ATOM 685 O ILE A 47 2.799 -2.783 -1.490 1.00 0.00 O ATOM 686 CB ILE A 47 0.632 -2.425 -4.031 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.269 -1.252 -4.493 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.106 -3.259 -2.963 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.566 -1.683 -5.189 1.00 0.00 C ATOM 0 H ILE A 47 2.453 -1.587 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 47 1.676 -1.042 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 47 0.853 -3.096 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.522 -0.642 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.301 -0.619 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.039 -3.640 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.522 -4.095 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.324 -2.632 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.135 -0.799 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.325 -2.267 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.161 -2.290 -4.506 1.00 0.00 H new ATOM 701 N CYS A 48 3.611 -3.712 -3.373 1.00 0.00 N ATOM 702 CA CYS A 48 4.536 -4.599 -2.669 1.00 0.00 C ATOM 703 C CYS A 48 5.552 -3.773 -1.899 1.00 0.00 C ATOM 704 O CYS A 48 5.742 -4.007 -0.710 1.00 0.00 O ATOM 705 CB CYS A 48 5.333 -5.475 -3.627 1.00 0.00 C ATOM 706 SG CYS A 48 4.429 -6.694 -4.567 1.00 0.00 S ATOM 0 H CYS A 48 3.622 -3.813 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 48 3.929 -5.224 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.850 -4.822 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.100 -5.994 -3.051 1.00 0.00 H new ATOM 711 N GLY A 49 6.203 -2.826 -2.585 1.00 0.00 N ATOM 712 CA GLY A 49 7.238 -1.985 -2.011 1.00 0.00 C ATOM 713 C GLY A 49 6.741 -1.357 -0.716 1.00 0.00 C ATOM 714 O GLY A 49 7.335 -1.568 0.336 1.00 0.00 O ATOM 0 H GLY A 49 6.016 -2.626 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.133 -2.577 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.518 -1.205 -2.719 1.00 0.00 H new ATOM 718 N ALA A 50 5.626 -0.628 -0.784 1.00 0.00 N ATOM 719 CA ALA A 50 5.003 0.006 0.364 1.00 0.00 C ATOM 720 C ALA A 50 4.606 -1.017 1.430 1.00 0.00 C ATOM 721 O ALA A 50 4.860 -0.778 2.605 1.00 0.00 O ATOM 722 CB ALA A 50 3.781 0.801 -0.099 1.00 0.00 C ATOM 0 H ALA A 50 5.126 -0.463 -1.658 1.00 0.00 H new ATOM 0 HA ALA A 50 5.728 0.680 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.311 1.278 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.092 1.564 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.068 0.128 -0.575 1.00 0.00 H new ATOM 728 N ALA A 51 3.969 -2.130 1.058 1.00 0.00 N ATOM 729 CA ALA A 51 3.460 -3.116 2.005 1.00 0.00 C ATOM 730 C ALA A 51 4.589 -3.774 2.790 1.00 0.00 C ATOM 731 O ALA A 51 4.535 -3.818 4.019 1.00 0.00 O ATOM 732 CB ALA A 51 2.612 -4.160 1.276 1.00 0.00 C ATOM 0 H ALA A 51 3.792 -2.371 0.083 1.00 0.00 H new ATOM 0 HA ALA A 51 2.828 -2.598 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.238 -4.890 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.771 -3.668 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.222 -4.666 0.528 1.00 0.00 H new ATOM 738 N VAL A 52 5.588 -4.314 2.098 1.00 0.00 N ATOM 739 CA VAL A 52 6.731 -4.959 2.720 1.00 0.00 C ATOM 740 C VAL A 52 7.550 -3.911 3.492 1.00 0.00 C ATOM 741 O VAL A 52 7.982 -4.208 4.602 1.00 0.00 O ATOM 742 CB VAL A 52 7.520 -5.765 1.665 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.678 -6.546 2.301 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.635 -6.804 0.947 1.00 0.00 C ATOM 0 H VAL A 52 5.623 -4.314 1.079 1.00 0.00 H new ATOM 0 HA VAL A 52 6.419 -5.694 3.462 1.00 0.00 H new ATOM 0 HB VAL A 52 7.890 -5.024 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.210 -7.101 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.363 -5.850 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.284 -7.242 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.232 -7.347 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.232 -7.505 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.814 -6.295 0.441 1.00 0.00 H new ATOM 754 N HIS A 53 7.698 -2.672 2.999 1.00 0.00 N ATOM 755 CA HIS A 53 8.362 -1.588 3.737 1.00 0.00 C ATOM 756 C HIS A 53 7.631 -1.316 5.054 1.00 0.00 C ATOM 757 O HIS A 53 8.220 -1.381 6.130 1.00 0.00 O ATOM 758 CB HIS A 53 8.436 -0.315 2.881 1.00 0.00 C ATOM 759 CG HIS A 53 9.229 0.787 3.528 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.804 1.621 4.567 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.523 1.068 3.222 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.884 2.364 4.876 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.926 2.056 4.085 1.00 0.00 N ATOM 0 H HIS A 53 7.361 -2.394 2.077 1.00 0.00 H new ATOM 0 HA HIS A 53 9.381 -1.899 3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.883 -0.558 1.917 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.425 0.041 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.118 0.604 2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.909 3.110 5.657 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.852 2.481 4.120 1.00 0.00 H new ATOM 771 N ARG A 54 6.319 -1.077 4.988 1.00 0.00 N ATOM 772 CA ARG A 54 5.422 -0.908 6.132 1.00 0.00 C ATOM 773 C ARG A 54 5.467 -2.118 7.068 1.00 0.00 C ATOM 774 O ARG A 54 5.145 -1.975 8.247 1.00 0.00 O ATOM 775 CB ARG A 54 4.010 -0.665 5.569 1.00 0.00 C ATOM 776 CG ARG A 54 2.867 -0.524 6.581 1.00 0.00 C ATOM 777 CD ARG A 54 2.850 0.800 7.345 1.00 0.00 C ATOM 778 NE ARG A 54 2.804 0.566 8.790 1.00 0.00 N ATOM 779 CZ ARG A 54 1.782 0.105 9.523 1.00 0.00 C ATOM 780 NH1 ARG A 54 0.562 -0.040 9.017 1.00 0.00 N ATOM 781 NH2 ARG A 54 2.014 -0.232 10.785 1.00 0.00 N ATOM 0 H ARG A 54 5.832 -0.992 4.096 1.00 0.00 H new ATOM 0 HA ARG A 54 5.734 -0.059 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.039 0.241 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.767 -1.489 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.919 -0.637 6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.933 -1.341 7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.737 1.381 7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.986 1.390 7.040 1.00 0.00 H new ATOM 0 HE ARG A 54 3.659 0.781 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.382 0.203 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.194 -0.394 9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.952 -0.137 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.254 -0.586 11.366 1.00 0.00 H new ATOM 795 N GLY A 55 5.849 -3.292 6.570 1.00 0.00 N ATOM 796 CA GLY A 55 5.924 -4.520 7.335 1.00 0.00 C ATOM 797 C GLY A 55 4.598 -5.271 7.353 1.00 0.00 C ATOM 798 O GLY A 55 4.463 -6.212 8.134 1.00 0.00 O ATOM 0 H GLY A 55 6.121 -3.411 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.697 -5.162 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.223 -4.291 8.358 1.00 0.00 H new ATOM 802 N VAL A 56 3.633 -4.920 6.496 1.00 0.00 N ATOM 803 CA VAL A 56 2.315 -5.552 6.404 1.00 0.00 C ATOM 804 C VAL A 56 2.489 -7.060 6.221 1.00 0.00 C ATOM 805 O VAL A 56 1.963 -7.840 7.013 1.00 0.00 O ATOM 806 CB VAL A 56 1.533 -4.923 5.230 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.203 -5.602 4.915 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.228 -3.452 5.516 1.00 0.00 C ATOM 0 H VAL A 56 3.754 -4.162 5.825 1.00 0.00 H new ATOM 0 HA VAL A 56 1.747 -5.387 7.319 1.00 0.00 H new ATOM 0 HB VAL A 56 2.189 -5.051 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.276 -5.094 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.380 -6.645 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.447 -5.553 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.677 -3.025 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.628 -3.374 6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.162 -2.906 5.651 1.00 0.00 H new ATOM 818 N ILE A 57 3.267 -7.447 5.215 1.00 0.00 N ATOM 819 CA ILE A 57 3.565 -8.818 4.841 1.00 0.00 C ATOM 820 C ILE A 57 5.078 -8.961 4.723 1.00 0.00 C ATOM 821 O ILE A 57 5.802 -7.958 4.682 1.00 0.00 O ATOM 822 CB ILE A 57 2.892 -9.165 3.483 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.072 -8.047 2.422 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.406 -9.494 3.685 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.807 -8.488 0.977 1.00 0.00 C ATOM 0 H ILE A 57 3.730 -6.772 4.607 1.00 0.00 H new ATOM 0 HA ILE A 57 3.179 -9.502 5.597 1.00 0.00 H new ATOM 0 HB ILE A 57 3.399 -10.048 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.402 -7.223 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.089 -7.661 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.953 -9.734 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.310 -10.349 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.899 -8.633 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.957 -7.643 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.495 -9.290 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.781 -8.845 0.888 1.00 0.00 H new ATOM 837 N SER A 58 5.565 -10.197 4.758 1.00 0.00 N ATOM 838 CA SER A 58 6.966 -10.499 4.506 1.00 0.00 C ATOM 839 C SER A 58 7.136 -10.376 2.974 1.00 0.00 C ATOM 840 O SER A 58 6.145 -10.161 2.262 1.00 0.00 O ATOM 841 CB SER A 58 7.254 -11.914 5.025 1.00 0.00 C ATOM 842 OG SER A 58 6.993 -11.982 6.420 1.00 0.00 O ATOM 0 H SER A 58 4.996 -11.018 4.963 1.00 0.00 H new ATOM 0 HA SER A 58 7.665 -9.832 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.635 -12.638 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.293 -12.178 4.828 1.00 0.00 H new ATOM 0 HG SER A 58 7.177 -12.888 6.744 1.00 0.00 H new ATOM 848 N ASN A 59 8.346 -10.514 2.419 1.00 0.00 N ATOM 849 CA ASN A 59 8.515 -10.529 0.960 1.00 0.00 C ATOM 850 C ASN A 59 8.021 -11.886 0.428 1.00 0.00 C ATOM 851 O ASN A 59 8.804 -12.785 0.128 1.00 0.00 O ATOM 852 CB ASN A 59 9.964 -10.215 0.566 1.00 0.00 C ATOM 853 CG ASN A 59 10.071 -10.036 -0.935 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.561 -10.905 -1.643 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.589 -8.920 -1.449 1.00 0.00 N ATOM 0 H ASN A 59 9.212 -10.616 2.949 1.00 0.00 H new ATOM 0 HA ASN A 59 7.916 -9.743 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.298 -9.309 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.620 -11.022 0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.620 -8.768 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.185 -8.210 -0.838 1.00 0.00 H new ATOM 862 N SER A 60 6.704 -12.063 0.395 1.00 0.00 N ATOM 863 CA SER A 60 5.983 -13.284 0.072 1.00 0.00 C ATOM 864 C SER A 60 4.662 -13.016 -0.664 1.00 0.00 C ATOM 865 O SER A 60 4.009 -13.982 -1.071 1.00 0.00 O ATOM 866 CB SER A 60 5.756 -14.050 1.381 1.00 0.00 C ATOM 867 OG SER A 60 5.503 -15.425 1.161 1.00 0.00 O ATOM 0 H SER A 60 6.067 -11.296 0.610 1.00 0.00 H new ATOM 0 HA SER A 60 6.577 -13.881 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.633 -13.942 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.915 -13.609 1.916 1.00 0.00 H new ATOM 0 HG SER A 60 4.944 -15.531 0.363 1.00 0.00 H new ATOM 873 N GLY A 61 4.176 -11.769 -0.701 1.00 0.00 N ATOM 874 CA GLY A 61 2.862 -11.469 -1.260 1.00 0.00 C ATOM 875 C GLY A 61 1.790 -11.779 -0.216 1.00 0.00 C ATOM 876 O GLY A 61 2.110 -12.048 0.945 1.00 0.00 O ATOM 0 H GLY A 61 4.678 -10.954 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.809 -10.421 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.692 -12.061 -2.160 1.00 0.00 H new ATOM 880 N GLY A 62 0.520 -11.688 -0.596 1.00 0.00 N ATOM 881 CA GLY A 62 -0.628 -11.991 0.254 1.00 0.00 C ATOM 882 C GLY A 62 -1.629 -10.837 0.285 1.00 0.00 C ATOM 883 O GLY A 62 -1.460 -9.863 -0.453 1.00 0.00 O ATOM 0 H GLY A 62 0.252 -11.392 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.122 -12.892 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.285 -12.202 1.267 1.00 0.00 H new ATOM 887 N PRO A 63 -2.691 -10.934 1.102 1.00 0.00 N ATOM 888 CA PRO A 63 -3.640 -9.848 1.306 1.00 0.00 C ATOM 889 C PRO A 63 -2.976 -8.688 2.055 1.00 0.00 C ATOM 890 O PRO A 63 -2.260 -8.898 3.042 1.00 0.00 O ATOM 891 CB PRO A 63 -4.810 -10.456 2.082 1.00 0.00 C ATOM 892 CG PRO A 63 -4.179 -11.638 2.811 1.00 0.00 C ATOM 893 CD PRO A 63 -3.101 -12.115 1.843 1.00 0.00 C ATOM 0 HA PRO A 63 -3.992 -9.424 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.244 -9.740 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.610 -10.777 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.755 -11.339 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.910 -12.420 3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.259 -12.553 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.488 -12.883 1.173 1.00 0.00 H new ATOM 901 N VAL A 64 -3.253 -7.476 1.583 1.00 0.00 N ATOM 902 CA VAL A 64 -2.767 -6.172 2.014 1.00 0.00 C ATOM 903 C VAL A 64 -3.992 -5.236 1.970 1.00 0.00 C ATOM 904 O VAL A 64 -5.025 -5.552 1.378 1.00 0.00 O ATOM 905 CB VAL A 64 -1.618 -5.750 1.064 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.091 -4.329 1.215 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.416 -6.709 1.124 1.00 0.00 C ATOM 0 H VAL A 64 -3.898 -7.375 0.799 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.352 -6.155 3.022 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.115 -5.798 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.291 -4.159 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.899 -3.620 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.705 -4.189 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.359 -6.365 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.019 -6.731 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.735 -7.711 0.837 1.00 0.00 H new ATOM 917 N ARG A 65 -3.910 -4.060 2.588 1.00 0.00 N ATOM 918 CA ARG A 65 -5.052 -3.159 2.729 1.00 0.00 C ATOM 919 C ARG A 65 -4.623 -1.704 2.675 1.00 0.00 C ATOM 920 O ARG A 65 -3.933 -1.222 3.572 1.00 0.00 O ATOM 921 CB ARG A 65 -5.733 -3.561 4.036 1.00 0.00 C ATOM 922 CG ARG A 65 -7.167 -3.047 4.186 1.00 0.00 C ATOM 923 CD ARG A 65 -7.983 -4.134 4.903 1.00 0.00 C ATOM 924 NE ARG A 65 -8.727 -3.700 6.094 1.00 0.00 N ATOM 925 CZ ARG A 65 -10.057 -3.764 6.217 1.00 0.00 C ATOM 926 NH1 ARG A 65 -10.848 -3.720 5.150 1.00 0.00 N ATOM 927 NH2 ARG A 65 -10.596 -3.874 7.422 1.00 0.00 N ATOM 0 H ARG A 65 -3.050 -3.704 3.005 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.758 -3.249 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.740 -4.649 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.138 -3.190 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.182 -2.119 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.598 -2.827 3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.691 -4.558 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.305 -4.936 5.195 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.194 -3.325 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.443 -3.636 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.860 -3.770 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.997 -3.909 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.610 -3.923 7.525 1.00 0.00 H new ATOM 941 N VAL A 66 -4.974 -1.022 1.595 1.00 0.00 N ATOM 942 CA VAL A 66 -4.554 0.343 1.295 1.00 0.00 C ATOM 943 C VAL A 66 -5.594 1.328 1.834 1.00 0.00 C ATOM 944 O VAL A 66 -6.795 1.120 1.653 1.00 0.00 O ATOM 945 CB VAL A 66 -4.399 0.488 -0.239 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.890 1.879 -0.647 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.436 -0.558 -0.834 1.00 0.00 C ATOM 0 H VAL A 66 -5.581 -1.416 0.876 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.598 0.561 1.772 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.402 0.332 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.798 1.929 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.594 2.638 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.916 2.058 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.362 -0.413 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.450 -0.442 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.814 -1.559 -0.627 1.00 0.00 H new ATOM 957 N TYR A 67 -5.145 2.420 2.452 1.00 0.00 N ATOM 958 CA TYR A 67 -5.969 3.532 2.910 1.00 0.00 C ATOM 959 C TYR A 67 -5.457 4.782 2.212 1.00 0.00 C ATOM 960 O TYR A 67 -4.247 5.016 2.157 1.00 0.00 O ATOM 961 CB TYR A 67 -5.853 3.773 4.420 1.00 0.00 C ATOM 962 CG TYR A 67 -6.250 2.666 5.372 1.00 0.00 C ATOM 963 CD1 TYR A 67 -7.099 1.609 4.989 1.00 0.00 C ATOM 964 CD2 TYR A 67 -5.753 2.719 6.688 1.00 0.00 C ATOM 965 CE1 TYR A 67 -7.369 0.565 5.887 1.00 0.00 C ATOM 966 CE2 TYR A 67 -6.024 1.683 7.591 1.00 0.00 C ATOM 967 CZ TYR A 67 -6.789 0.574 7.174 1.00 0.00 C ATOM 968 OH TYR A 67 -6.898 -0.522 7.971 1.00 0.00 O ATOM 0 H TYR A 67 -4.155 2.557 2.654 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.010 3.301 2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.816 4.034 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.458 4.647 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.542 1.602 4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.159 3.564 7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.020 -0.245 5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.649 1.733 8.602 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.444 -0.354 8.823 1.00 0.00 H new ATOM 978 N SER A 68 -6.373 5.592 1.693 1.00 0.00 N ATOM 979 CA SER A 68 -6.029 6.878 1.116 1.00 0.00 C ATOM 980 C SER A 68 -5.369 7.772 2.161 1.00 0.00 C ATOM 981 O SER A 68 -5.675 7.717 3.359 1.00 0.00 O ATOM 982 CB SER A 68 -7.294 7.572 0.597 1.00 0.00 C ATOM 983 OG SER A 68 -8.266 7.679 1.628 1.00 0.00 O ATOM 0 H SER A 68 -7.369 5.374 1.662 1.00 0.00 H new ATOM 0 HA SER A 68 -5.334 6.710 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.043 8.564 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.706 7.010 -0.241 1.00 0.00 H new ATOM 0 HG SER A 68 -8.588 6.785 1.868 1.00 0.00 H new ATOM 989 N LEU A 69 -4.472 8.630 1.694 1.00 0.00 N ATOM 990 CA LEU A 69 -3.852 9.645 2.513 1.00 0.00 C ATOM 991 C LEU A 69 -3.884 10.894 1.632 1.00 0.00 C ATOM 992 O LEU A 69 -3.629 10.780 0.426 1.00 0.00 O ATOM 993 CB LEU A 69 -2.463 9.165 2.960 1.00 0.00 C ATOM 994 CG LEU A 69 -1.944 9.888 4.213 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.082 8.917 5.024 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.201 11.195 3.915 1.00 0.00 C ATOM 0 H LEU A 69 -4.156 8.635 0.724 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.354 9.864 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.503 8.094 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.755 9.313 2.144 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.810 10.195 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.708 9.420 5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.682 8.056 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.241 8.583 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.866 11.645 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.338 10.987 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.870 11.884 3.400 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.284 12.061 2.152 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.308 13.277 1.356 1.00 0.00 C ATOM 1010 C PRO A 70 -2.894 13.644 0.891 1.00 0.00 C ATOM 1011 O PRO A 70 -1.902 13.001 1.244 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.950 14.342 2.253 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.660 13.833 3.659 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.742 12.322 3.506 1.00 0.00 C ATOM 0 HA PRO A 70 -4.884 13.169 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.515 15.327 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.021 14.431 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.677 14.150 4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.388 14.205 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.115 11.815 4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.761 11.964 3.655 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.797 14.691 0.078 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.512 15.216 -0.332 1.00 0.00 C ATOM 1024 C GLY A 71 -0.677 15.558 0.895 1.00 0.00 C ATOM 1025 O GLY A 71 -1.207 16.090 1.881 1.00 0.00 O ATOM 0 H GLY A 71 -3.599 15.190 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.989 14.483 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.652 16.105 -0.947 1.00 0.00 H new ATOM 1029 N ARG A 72 0.623 15.280 0.830 1.00 0.00 N ATOM 1030 CA ARG A 72 1.583 15.629 1.863 1.00 0.00 C ATOM 1031 C ARG A 72 2.882 16.097 1.226 1.00 0.00 C ATOM 1032 O ARG A 72 3.106 15.989 0.019 1.00 0.00 O ATOM 1033 CB ARG A 72 1.768 14.482 2.885 1.00 0.00 C ATOM 1034 CG ARG A 72 0.656 14.467 3.948 1.00 0.00 C ATOM 1035 CD ARG A 72 1.098 13.717 5.216 1.00 0.00 C ATOM 1036 NE ARG A 72 0.140 13.930 6.311 1.00 0.00 N ATOM 1037 CZ ARG A 72 -0.254 13.073 7.260 1.00 0.00 C ATOM 1038 NH1 ARG A 72 0.342 11.902 7.442 1.00 0.00 N ATOM 1039 NH2 ARG A 72 -1.283 13.413 8.024 1.00 0.00 N ATOM 0 H ARG A 72 1.043 14.795 0.038 1.00 0.00 H new ATOM 0 HA ARG A 72 1.195 16.465 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.779 13.527 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.736 14.587 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.384 15.491 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.236 13.994 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.182 12.651 5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.087 14.060 5.520 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.282 14.858 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.126 11.631 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.016 11.272 8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.752 14.307 7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.606 12.780 8.756 1.00 0.00 H new ATOM 1053 N GLU A 73 3.696 16.700 2.073 1.00 0.00 N ATOM 1054 CA GLU A 73 4.956 17.361 1.858 1.00 0.00 C ATOM 1055 C GLU A 73 5.789 17.154 3.131 1.00 0.00 C ATOM 1056 O GLU A 73 5.273 16.614 4.109 1.00 0.00 O ATOM 1057 CB GLU A 73 4.677 18.833 1.504 1.00 0.00 C ATOM 1058 CG GLU A 73 3.530 19.552 2.255 1.00 0.00 C ATOM 1059 CD GLU A 73 2.120 19.296 1.669 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.958 19.075 0.447 1.00 0.00 O ATOM 1061 OE2 GLU A 73 1.114 19.371 2.409 1.00 0.00 O ATOM 0 H GLU A 73 3.446 16.738 3.061 1.00 0.00 H new ATOM 0 HA GLU A 73 5.529 16.957 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.594 19.398 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.463 18.886 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.540 19.234 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.724 20.625 2.247 1.00 0.00 H new ATOM 1068 N ASN A 74 7.062 17.570 3.119 1.00 0.00 N ATOM 1069 CA ASN A 74 8.042 17.365 4.197 1.00 0.00 C ATOM 1070 C ASN A 74 8.141 15.890 4.608 1.00 0.00 C ATOM 1071 O ASN A 74 7.957 15.530 5.769 1.00 0.00 O ATOM 1072 CB ASN A 74 7.790 18.317 5.383 1.00 0.00 C ATOM 1073 CG ASN A 74 8.047 19.782 5.051 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.264 20.161 3.905 1.00 0.00 O ATOM 1075 ND2 ASN A 74 8.035 20.649 6.049 1.00 0.00 N ATOM 0 H ASN A 74 7.454 18.079 2.327 1.00 0.00 H new ATOM 0 HA ASN A 74 9.025 17.628 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.759 18.204 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.429 18.024 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.207 21.638 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.854 20.329 7.000 1.00 0.00 H new ATOM 1082 N TYR A 75 8.424 15.038 3.621 1.00 0.00 N ATOM 1083 CA TYR A 75 8.680 13.613 3.798 1.00 0.00 C ATOM 1084 C TYR A 75 10.085 13.373 4.374 1.00 0.00 C ATOM 1085 O TYR A 75 10.898 14.294 4.467 1.00 0.00 O ATOM 1086 CB TYR A 75 8.574 12.915 2.436 1.00 0.00 C ATOM 1087 CG TYR A 75 7.221 12.934 1.764 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.804 14.065 1.040 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.436 11.768 1.758 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.600 14.034 0.322 1.00 0.00 C ATOM 1091 CE2 TYR A 75 5.252 11.721 1.010 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.810 12.865 0.314 1.00 0.00 C ATOM 1093 OH TYR A 75 3.664 12.840 -0.410 1.00 0.00 O ATOM 0 H TYR A 75 8.482 15.333 2.646 1.00 0.00 H new ATOM 0 HA TYR A 75 7.945 13.211 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.295 13.376 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.876 11.875 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.411 14.958 1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.746 10.907 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.277 14.907 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.677 10.808 0.966 1.00 0.00 H new ATOM 0 HH TYR A 75 3.148 12.040 -0.178 1.00 0.00 H new ATOM 1103 N SER A 76 10.396 12.102 4.634 1.00 0.00 N ATOM 1104 CA SER A 76 11.663 11.591 5.133 1.00 0.00 C ATOM 1105 C SER A 76 12.100 10.430 4.232 1.00 0.00 C ATOM 1106 O SER A 76 11.322 9.981 3.383 1.00 0.00 O ATOM 1107 CB SER A 76 11.467 11.107 6.578 1.00 0.00 C ATOM 1108 OG SER A 76 10.967 12.146 7.397 1.00 0.00 O ATOM 0 H SER A 76 9.718 11.354 4.489 1.00 0.00 H new ATOM 0 HA SER A 76 12.430 12.366 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.777 10.264 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.416 10.749 6.977 1.00 0.00 H new ATOM 0 HG SER A 76 10.849 11.814 8.311 1.00 0.00 H new ATOM 1114 N SER A 77 13.316 9.926 4.442 1.00 0.00 N ATOM 1115 CA SER A 77 13.855 8.751 3.774 1.00 0.00 C ATOM 1116 C SER A 77 14.210 7.741 4.866 1.00 0.00 C ATOM 1117 O SER A 77 14.837 8.130 5.854 1.00 0.00 O ATOM 1118 CB SER A 77 15.089 9.128 2.943 1.00 0.00 C ATOM 1119 OG SER A 77 14.836 10.220 2.064 1.00 0.00 O ATOM 0 H SER A 77 13.971 10.341 5.104 1.00 0.00 H new ATOM 0 HA SER A 77 13.128 8.322 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.910 9.386 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.411 8.264 2.362 1.00 0.00 H new ATOM 0 HG SER A 77 15.649 10.427 1.557 1.00 0.00 H new ATOM 1125 N VAL A 78 13.765 6.488 4.742 1.00 0.00 N ATOM 1126 CA VAL A 78 13.921 5.443 5.756 1.00 0.00 C ATOM 1127 C VAL A 78 13.988 4.099 5.023 1.00 0.00 C ATOM 1128 O VAL A 78 13.269 3.914 4.035 1.00 0.00 O ATOM 1129 CB VAL A 78 12.719 5.460 6.744 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.984 4.568 7.967 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.332 6.851 7.279 1.00 0.00 C ATOM 0 H VAL A 78 13.272 6.164 3.910 1.00 0.00 H new ATOM 0 HA VAL A 78 14.828 5.609 6.338 1.00 0.00 H new ATOM 0 HB VAL A 78 11.893 5.088 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.124 4.603 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.147 3.541 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.869 4.926 8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.485 6.757 7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.178 7.284 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.058 7.498 6.446 1.00 0.00 H new ATOM 1141 N ASP A 79 14.768 3.133 5.512 1.00 0.00 N ATOM 1142 CA ASP A 79 14.783 1.781 4.946 1.00 0.00 C ATOM 1143 C ASP A 79 13.998 0.880 5.884 1.00 0.00 C ATOM 1144 O ASP A 79 14.001 1.103 7.099 1.00 0.00 O ATOM 1145 CB ASP A 79 16.195 1.190 4.830 1.00 0.00 C ATOM 1146 CG ASP A 79 16.186 0.067 3.783 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.756 -1.070 4.103 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.560 0.396 2.633 1.00 0.00 O ATOM 0 H ASP A 79 15.400 3.262 6.302 1.00 0.00 H new ATOM 0 HA ASP A 79 14.359 1.841 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.905 1.966 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.520 0.802 5.795 1.00 0.00 H new ATOM 1153 N ALA A 80 13.298 -0.108 5.342 1.00 0.00 N ATOM 1154 CA ALA A 80 12.626 -1.113 6.132 1.00 0.00 C ATOM 1155 C ALA A 80 12.618 -2.390 5.311 1.00 0.00 C ATOM 1156 O ALA A 80 12.231 -2.386 4.144 1.00 0.00 O ATOM 1157 CB ALA A 80 11.207 -0.672 6.483 1.00 0.00 C ATOM 0 H ALA A 80 13.184 -0.229 4.336 1.00 0.00 H new ATOM 0 HA ALA A 80 13.144 -1.271 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.722 -1.446 7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.245 0.255 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.639 -0.510 5.567 1.00 0.00 H new ATOM 1163 N ASN A 81 12.973 -3.499 5.959 1.00 0.00 N ATOM 1164 CA ASN A 81 13.021 -4.841 5.384 1.00 0.00 C ATOM 1165 C ASN A 81 13.874 -4.944 4.107 1.00 0.00 C ATOM 1166 O ASN A 81 13.701 -5.914 3.364 1.00 0.00 O ATOM 1167 CB ASN A 81 11.583 -5.366 5.178 1.00 0.00 C ATOM 1168 CG ASN A 81 10.862 -5.576 6.499 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.399 -6.194 7.418 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.651 -5.086 6.652 1.00 0.00 N ATOM 0 H ASN A 81 13.247 -3.485 6.942 1.00 0.00 H new ATOM 0 HA ASN A 81 13.535 -5.484 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.022 -4.659 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.615 -6.307 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.155 -5.218 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.208 -4.574 5.889 1.00 0.00 H new ATOM 1177 N GLY A 82 14.841 -4.044 3.883 1.00 0.00 N ATOM 1178 CA GLY A 82 15.683 -4.054 2.691 1.00 0.00 C ATOM 1179 C GLY A 82 14.930 -3.475 1.499 1.00 0.00 C ATOM 1180 O GLY A 82 14.924 -4.067 0.421 1.00 0.00 O ATOM 0 H GLY A 82 15.058 -3.286 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.588 -3.474 2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.997 -5.074 2.469 1.00 0.00 H new ATOM 1184 N ILE A 83 14.242 -2.356 1.713 1.00 0.00 N ATOM 1185 CA ILE A 83 13.481 -1.594 0.735 1.00 0.00 C ATOM 1186 C ILE A 83 13.680 -0.152 1.199 1.00 0.00 C ATOM 1187 O ILE A 83 13.432 0.162 2.366 1.00 0.00 O ATOM 1188 CB ILE A 83 11.988 -2.005 0.739 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.815 -3.508 0.414 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.223 -1.131 -0.270 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.365 -3.992 0.352 1.00 0.00 C ATOM 0 H ILE A 83 14.201 -1.931 2.639 1.00 0.00 H new ATOM 0 HA ILE A 83 13.807 -1.756 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 83 11.580 -1.847 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.293 -3.715 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.345 -4.091 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.171 -1.415 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.315 -0.083 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.640 -1.276 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.346 -5.057 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.884 -3.823 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.830 -3.441 -0.422 1.00 0.00 H new ATOM 1203 N GLN A 84 14.040 0.744 0.284 1.00 0.00 N ATOM 1204 CA GLN A 84 14.387 2.112 0.624 1.00 0.00 C ATOM 1205 C GLN A 84 13.226 3.026 0.260 1.00 0.00 C ATOM 1206 O GLN A 84 12.737 2.988 -0.874 1.00 0.00 O ATOM 1207 CB GLN A 84 15.664 2.485 -0.151 1.00 0.00 C ATOM 1208 CG GLN A 84 16.185 3.910 0.113 1.00 0.00 C ATOM 1209 CD GLN A 84 16.573 4.208 1.563 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.555 5.357 1.988 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.948 3.222 2.359 1.00 0.00 N ATOM 0 H GLN A 84 14.098 0.537 -0.713 1.00 0.00 H new ATOM 0 HA GLN A 84 14.576 2.221 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.449 1.773 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.470 2.376 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.054 4.084 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.419 4.622 -0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.965 2.264 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.221 3.419 3.322 1.00 0.00 H new ATOM 1220 N SER A 85 12.776 3.830 1.227 1.00 0.00 N ATOM 1221 CA SER A 85 11.772 4.855 1.013 1.00 0.00 C ATOM 1222 C SER A 85 12.511 6.191 1.001 1.00 0.00 C ATOM 1223 O SER A 85 13.397 6.384 1.832 1.00 0.00 O ATOM 1224 CB SER A 85 10.630 4.784 2.034 1.00 0.00 C ATOM 1225 OG SER A 85 11.023 5.131 3.344 1.00 0.00 O ATOM 0 H SER A 85 13.108 3.780 2.190 1.00 0.00 H new ATOM 0 HA SER A 85 11.262 4.711 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.827 5.449 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.222 3.773 2.041 1.00 0.00 H new ATOM 0 HG SER A 85 11.631 4.447 3.695 1.00 0.00 H new ATOM 1231 N GLN A 86 12.176 7.097 0.082 1.00 0.00 N ATOM 1232 CA GLN A 86 12.878 8.367 -0.102 1.00 0.00 C ATOM 1233 C GLN A 86 11.890 9.538 -0.047 1.00 0.00 C ATOM 1234 O GLN A 86 10.743 9.387 -0.465 1.00 0.00 O ATOM 1235 CB GLN A 86 13.684 8.302 -1.415 1.00 0.00 C ATOM 1236 CG GLN A 86 12.813 8.265 -2.684 1.00 0.00 C ATOM 1237 CD GLN A 86 13.382 7.374 -3.789 1.00 0.00 C ATOM 1238 OE1 GLN A 86 14.068 7.839 -4.692 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.063 6.088 -3.768 1.00 0.00 N ATOM 0 H GLN A 86 11.398 6.967 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 86 13.585 8.539 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.346 9.167 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.318 7.416 -1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.816 7.912 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.701 9.279 -3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.491 5.717 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.389 5.469 -4.511 1.00 0.00 H new ATOM 1248 N MET A 87 12.307 10.694 0.472 1.00 0.00 N ATOM 1249 CA MET A 87 11.468 11.890 0.524 1.00 0.00 C ATOM 1250 C MET A 87 11.014 12.336 -0.878 1.00 0.00 C ATOM 1251 O MET A 87 11.619 11.956 -1.883 1.00 0.00 O ATOM 1252 CB MET A 87 12.203 13.001 1.300 1.00 0.00 C ATOM 1253 CG MET A 87 13.398 13.613 0.557 1.00 0.00 C ATOM 1254 SD MET A 87 12.974 14.929 -0.622 1.00 0.00 S ATOM 1255 CE MET A 87 14.587 15.154 -1.413 1.00 0.00 C ATOM 0 H MET A 87 13.237 10.826 0.868 1.00 0.00 H new ATOM 0 HA MET A 87 10.549 11.656 1.062 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.493 13.794 1.535 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.551 12.594 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.097 14.014 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.919 12.820 0.021 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.514 15.932 -2.173 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.322 15.446 -0.663 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.897 14.219 -1.880 1.00 0.00 H new ATOM 1265 N LEU A 88 9.974 13.179 -0.955 1.00 0.00 N ATOM 1266 CA LEU A 88 9.501 13.776 -2.204 1.00 0.00 C ATOM 1267 C LEU A 88 9.181 15.246 -1.991 1.00 0.00 C ATOM 1268 O LEU A 88 8.858 15.684 -0.884 1.00 0.00 O ATOM 1269 CB LEU A 88 8.220 13.143 -2.757 1.00 0.00 C ATOM 1270 CG LEU A 88 8.160 11.610 -2.734 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.404 11.178 -1.485 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.408 11.130 -3.969 1.00 0.00 C ATOM 0 H LEU A 88 9.434 13.466 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 88 10.312 13.612 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.374 13.528 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.090 13.476 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 88 9.165 11.187 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.350 10.090 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.924 11.544 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.395 11.590 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.358 10.041 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.398 11.539 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.929 11.466 -4.866 1.00 0.00 H new ATOM 1284 N SER A 89 9.121 15.984 -3.092 1.00 0.00 N ATOM 1285 CA SER A 89 8.721 17.371 -3.116 1.00 0.00 C ATOM 1286 C SER A 89 7.201 17.526 -3.280 1.00 0.00 C ATOM 1287 O SER A 89 6.732 17.706 -4.405 1.00 0.00 O ATOM 1288 CB SER A 89 9.511 18.062 -4.237 1.00 0.00 C ATOM 1289 OG SER A 89 9.374 17.343 -5.452 1.00 0.00 O ATOM 0 H SER A 89 9.357 15.617 -4.014 1.00 0.00 H new ATOM 0 HA SER A 89 8.951 17.847 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.152 19.083 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.564 18.127 -3.962 1.00 0.00 H new ATOM 0 HG SER A 89 8.425 17.171 -5.625 1.00 0.00 H new ATOM 1295 N ARG A 90 6.426 17.432 -2.187 1.00 0.00 N ATOM 1296 CA ARG A 90 4.979 17.717 -2.219 1.00 0.00 C ATOM 1297 C ARG A 90 4.157 16.806 -3.149 1.00 0.00 C ATOM 1298 O ARG A 90 3.632 17.271 -4.165 1.00 0.00 O ATOM 1299 CB ARG A 90 4.786 19.237 -2.443 1.00 0.00 C ATOM 1300 CG ARG A 90 3.357 19.767 -2.202 1.00 0.00 C ATOM 1301 CD ARG A 90 2.814 20.630 -3.350 1.00 0.00 C ATOM 1302 NE ARG A 90 2.794 19.836 -4.582 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.855 19.740 -5.520 1.00 0.00 C ATOM 1304 NH1 ARG A 90 0.863 20.622 -5.598 1.00 0.00 N ATOM 1305 NH2 ARG A 90 1.949 18.728 -6.373 1.00 0.00 N ATOM 0 H ARG A 90 6.776 17.161 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 90 4.550 17.455 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.470 19.773 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.076 19.476 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.687 18.921 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.347 20.353 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.810 20.981 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.438 21.514 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 90 3.627 19.271 -4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.811 21.392 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.154 20.529 -6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.719 18.063 -6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.252 18.615 -7.109 1.00 0.00 H new ATOM 1319 N TRP A 91 4.122 15.497 -2.900 1.00 0.00 N ATOM 1320 CA TRP A 91 3.333 14.592 -3.730 1.00 0.00 C ATOM 1321 C TRP A 91 1.878 14.594 -3.254 1.00 0.00 C ATOM 1322 O TRP A 91 1.513 13.984 -2.245 1.00 0.00 O ATOM 1323 CB TRP A 91 3.929 13.182 -3.747 1.00 0.00 C ATOM 1324 CG TRP A 91 3.809 12.501 -5.074 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.712 11.891 -5.572 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.823 12.382 -6.108 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.998 11.372 -6.819 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.310 11.592 -7.175 1.00 0.00 C ATOM 1329 CE3 TRP A 91 6.136 12.864 -6.240 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 5.090 11.248 -8.291 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.956 12.459 -7.302 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.436 11.656 -8.335 1.00 0.00 C ATOM 0 H TRP A 91 4.626 15.044 -2.137 1.00 0.00 H new ATOM 0 HA TRP A 91 3.357 14.947 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.982 13.237 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.431 12.576 -2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.758 11.820 -5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.320 10.885 -7.405 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.521 13.560 -5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.663 10.679 -9.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.992 12.764 -7.328 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.067 11.354 -9.158 1.00 0.00 H new ATOM 1343 N SER A 92 1.008 15.267 -4.004 1.00 0.00 N ATOM 1344 CA SER A 92 -0.391 15.462 -3.647 1.00 0.00 C ATOM 1345 C SER A 92 -1.273 14.227 -3.932 1.00 0.00 C ATOM 1346 O SER A 92 -2.438 14.347 -4.325 1.00 0.00 O ATOM 1347 CB SER A 92 -0.891 16.744 -4.309 1.00 0.00 C ATOM 1348 OG SER A 92 -0.061 17.836 -3.939 1.00 0.00 O ATOM 0 H SER A 92 1.262 15.699 -4.892 1.00 0.00 H new ATOM 0 HA SER A 92 -0.468 15.580 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.891 16.627 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.920 16.941 -4.009 1.00 0.00 H new ATOM 0 HG SER A 92 -0.386 18.655 -4.369 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.716 13.028 -3.744 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.361 11.729 -3.825 1.00 0.00 C ATOM 1356 C ALA A 93 -0.471 10.758 -3.045 1.00 0.00 C ATOM 1357 O ALA A 93 0.631 10.436 -3.492 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.516 11.292 -5.286 1.00 0.00 C ATOM 0 H ALA A 93 0.274 12.941 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.366 11.756 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.001 10.317 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.124 12.021 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.533 11.227 -5.753 1.00 0.00 H new ATOM 1364 N SER A 94 -0.901 10.339 -1.859 1.00 0.00 N ATOM 1365 CA SER A 94 -0.199 9.357 -1.039 1.00 0.00 C ATOM 1366 C SER A 94 -1.187 8.331 -0.470 1.00 0.00 C ATOM 1367 O SER A 94 -2.396 8.421 -0.708 1.00 0.00 O ATOM 1368 CB SER A 94 0.583 10.083 0.064 1.00 0.00 C ATOM 1369 OG SER A 94 1.518 11.009 -0.472 1.00 0.00 O ATOM 0 H SER A 94 -1.763 10.679 -1.433 1.00 0.00 H new ATOM 0 HA SER A 94 0.514 8.804 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.114 10.608 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.108 9.352 0.679 1.00 0.00 H new ATOM 0 HG SER A 94 1.546 10.919 -1.447 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.687 7.340 0.263 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.480 6.345 0.964 1.00 0.00 C ATOM 1377 C PHE A 95 -0.697 5.812 2.159 1.00 0.00 C ATOM 1378 O PHE A 95 0.478 6.130 2.317 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.847 5.209 -0.016 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.689 4.381 -0.561 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.054 4.829 -1.671 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.381 3.132 0.014 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.091 4.039 -2.199 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.627 2.323 -0.541 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.359 2.773 -1.654 1.00 0.00 C ATOM 0 H PHE A 95 0.317 7.207 0.387 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.401 6.793 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.541 4.536 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.381 5.646 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.174 5.785 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.922 2.794 0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.682 4.407 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.839 1.355 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.125 2.147 -2.088 1.00 0.00 H new ATOM 1395 N THR A 96 -1.354 5.021 3.000 1.00 0.00 N ATOM 1396 CA THR A 96 -0.770 4.296 4.122 1.00 0.00 C ATOM 1397 C THR A 96 -1.384 2.901 4.014 1.00 0.00 C ATOM 1398 O THR A 96 -2.560 2.761 3.659 1.00 0.00 O ATOM 1399 CB THR A 96 -0.991 5.004 5.477 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.533 4.169 6.522 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.457 5.372 5.753 1.00 0.00 C ATOM 0 H THR A 96 -2.358 4.860 2.913 1.00 0.00 H new ATOM 0 HA THR A 96 0.318 4.247 4.080 1.00 0.00 H new ATOM 0 HB THR A 96 -0.429 5.937 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.671 4.617 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.532 5.865 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.816 6.045 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.064 4.467 5.759 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.561 1.862 4.139 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.995 0.482 3.982 1.00 0.00 C ATOM 1411 C VAL A 97 -1.060 -0.251 5.335 1.00 0.00 C ATOM 1412 O VAL A 97 -0.385 0.129 6.297 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.223 -0.127 2.796 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.247 -0.439 3.052 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.909 -1.362 2.235 1.00 0.00 C ATOM 0 H VAL A 97 0.432 1.958 4.353 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.038 0.376 3.684 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.238 0.677 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.691 -0.863 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.772 0.478 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.330 -1.155 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.327 -1.754 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.985 -2.121 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.908 -1.097 1.887 1.00 0.00 H new ATOM 1425 N THR A 98 -1.874 -1.302 5.409 1.00 0.00 N ATOM 1426 CA THR A 98 -2.216 -2.105 6.580 1.00 0.00 C ATOM 1427 C THR A 98 -2.568 -3.534 6.125 1.00 0.00 C ATOM 1428 O THR A 98 -2.432 -3.850 4.938 1.00 0.00 O ATOM 1429 CB THR A 98 -3.420 -1.454 7.300 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.496 -1.186 6.420 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.065 -0.155 8.024 1.00 0.00 C ATOM 0 H THR A 98 -2.354 -1.643 4.576 1.00 0.00 H new ATOM 0 HA THR A 98 -1.373 -2.152 7.269 1.00 0.00 H new ATOM 0 HB THR A 98 -3.721 -2.197 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.288 -0.935 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.955 0.247 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.303 -0.355 8.777 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.683 0.570 7.305 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.965 -4.396 7.063 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.477 -5.750 6.859 1.00 0.00 C ATOM 1441 C LEU A 99 -5.009 -5.690 6.970 1.00 0.00 C ATOM 1442 O LEU A 99 -5.584 -4.657 7.337 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.932 -6.710 7.932 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.507 -7.218 7.673 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -0.998 -7.949 8.906 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.441 -8.183 6.484 1.00 0.00 C ATOM 0 H LEU A 99 -2.935 -4.148 8.052 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.163 -6.117 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.953 -6.204 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.601 -7.567 8.007 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.892 -6.347 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.014 -8.310 8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.992 -7.267 9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.651 -8.794 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.412 -8.514 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.077 -9.046 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.787 -7.675 5.584 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.670 -6.800 6.649 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.104 -6.988 6.812 1.00 0.00 C ATOM 1460 C GLU A 100 -7.373 -7.573 8.190 1.00 0.00 C ATOM 1461 O GLU A 100 -8.016 -8.634 8.322 1.00 0.00 O ATOM 1462 CB GLU A 100 -7.654 -7.787 5.614 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.177 -7.631 5.511 1.00 0.00 C ATOM 1464 CD GLU A 100 -9.839 -8.358 4.335 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -9.157 -8.995 3.500 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.094 -8.329 4.281 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.998 -6.914 9.178 1.00 0.00 O ATOM 0 H GLU A 100 -5.204 -7.618 6.256 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.653 -6.047 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.185 -7.440 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.398 -8.841 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.625 -7.992 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.411 -6.569 5.437 1.00 0.00 H new TER 1474 GLU A 100