USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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 84 MET CE :methyl 167:sc= -0.109 (180deg=-0.332) USER MOD Set 1.2: A 90 SER OG : rot 180:sc=-0.00828 USER MOD Set 2.1: A 16 ASN : amide:sc= 0.372 K(o=-13,f=-19!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= -6.63! C(o=-13!,f=-12!) USER MOD Set 2.3: A 81 GLN : amide:sc= -7! C(o=-13!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0367 (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 17:sc= 0.864 USER MOD Single : A 15 SER OG : rot 144:sc= 0.353 USER MOD Single : A 20 SER OG : rot 154:sc= 1.15 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 141:sc= -1.56 (180deg=-4.2!) USER MOD Single : A 28 SER OG : rot 82:sc= 0.0298 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.25) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0488) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00999 USER MOD Single : A 45 THR OG1 : rot 51:sc= -0.0661 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0719 K(o=-0.072,f=-0.66) USER MOD Single : A 67 THR OG1 : rot -94:sc= 0.023 USER MOD Single : A 71 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.41) USER MOD Single : A 72 THR OG1 : rot 94:sc= 0.0475 USER MOD Single : A 73 HIS : no HE2:sc= -4.19 K(o=-4.2,f=-5.8!) USER MOD Single : A 75 MET CE :methyl 160:sc= -1.44 (180deg=-2.18) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.913 11.176 12.755 1.00 0.00 N ATOM 2 CA GLY A 1 -2.997 10.078 12.501 1.00 0.00 C ATOM 3 C GLY A 1 -1.898 9.988 13.541 1.00 0.00 C ATOM 4 O GLY A 1 -2.100 10.349 14.700 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.889 10.860 12.585 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.817 11.487 13.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.690 11.968 12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.554 9.141 12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.550 10.202 11.515 1.00 0.00 H new ATOM 8 N SER A 2 -0.732 9.504 13.127 1.00 0.00 N ATOM 9 CA SER A 2 0.403 9.362 14.032 1.00 0.00 C ATOM 10 C SER A 2 1.532 10.311 13.641 1.00 0.00 C ATOM 11 O SER A 2 1.593 10.785 12.507 1.00 0.00 O ATOM 12 CB SER A 2 0.909 7.919 14.027 1.00 0.00 C ATOM 13 OG SER A 2 1.335 7.532 12.732 1.00 0.00 O ATOM 0 H SER A 2 -0.548 9.203 12.170 1.00 0.00 H new ATOM 0 HA SER A 2 0.069 9.618 15.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.735 7.818 14.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.117 7.252 14.367 1.00 0.00 H new ATOM 0 HG SER A 2 1.655 6.606 12.756 1.00 0.00 H new ATOM 19 N SER A 3 2.423 10.582 14.589 1.00 0.00 N ATOM 20 CA SER A 3 3.549 11.476 14.346 1.00 0.00 C ATOM 21 C SER A 3 4.601 10.800 13.470 1.00 0.00 C ATOM 22 O SER A 3 4.701 9.575 13.436 1.00 0.00 O ATOM 23 CB SER A 3 4.176 11.912 15.672 1.00 0.00 C ATOM 24 OG SER A 3 3.501 13.035 16.211 1.00 0.00 O ATOM 0 H SER A 3 2.387 10.195 15.532 1.00 0.00 H new ATOM 0 HA SER A 3 3.176 12.356 13.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.141 11.087 16.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.227 12.155 15.518 1.00 0.00 H new ATOM 0 HG SER A 3 3.920 13.293 17.059 1.00 0.00 H new ATOM 30 N GLY A 4 5.381 11.611 12.763 1.00 0.00 N ATOM 31 CA GLY A 4 6.416 11.076 11.897 1.00 0.00 C ATOM 32 C GLY A 4 6.667 11.950 10.686 1.00 0.00 C ATOM 33 O GLY A 4 5.985 11.827 9.669 1.00 0.00 O ATOM 0 H GLY A 4 5.315 12.629 12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.341 10.971 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.129 10.077 11.567 1.00 0.00 H new ATOM 37 N SER A 5 7.650 12.839 10.793 1.00 0.00 N ATOM 38 CA SER A 5 7.987 13.743 9.700 1.00 0.00 C ATOM 39 C SER A 5 9.493 13.763 9.456 1.00 0.00 C ATOM 40 O SER A 5 10.089 14.824 9.269 1.00 0.00 O ATOM 41 CB SER A 5 7.490 15.157 10.007 1.00 0.00 C ATOM 42 OG SER A 5 8.042 15.640 11.219 1.00 0.00 O ATOM 0 H SER A 5 8.227 12.952 11.626 1.00 0.00 H new ATOM 0 HA SER A 5 7.495 13.381 8.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.759 15.826 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.402 15.157 10.074 1.00 0.00 H new ATOM 0 HG SER A 5 7.710 16.546 11.392 1.00 0.00 H new ATOM 48 N SER A 6 10.103 12.581 9.460 1.00 0.00 N ATOM 49 CA SER A 6 11.540 12.462 9.243 1.00 0.00 C ATOM 50 C SER A 6 11.868 11.189 8.469 1.00 0.00 C ATOM 51 O SER A 6 11.663 10.080 8.960 1.00 0.00 O ATOM 52 CB SER A 6 12.280 12.463 10.582 1.00 0.00 C ATOM 53 OG SER A 6 12.027 11.273 11.306 1.00 0.00 O ATOM 0 H SER A 6 9.624 11.693 9.611 1.00 0.00 H new ATOM 0 HA SER A 6 11.867 13.319 8.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.351 12.566 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.968 13.325 11.172 1.00 0.00 H new ATOM 0 HG SER A 6 11.663 10.593 10.701 1.00 0.00 H new ATOM 59 N GLY A 7 12.380 11.359 7.254 1.00 0.00 N ATOM 60 CA GLY A 7 12.729 10.217 6.430 1.00 0.00 C ATOM 61 C GLY A 7 12.122 10.295 5.043 1.00 0.00 C ATOM 62 O GLY A 7 11.012 10.794 4.855 1.00 0.00 O ATOM 0 H GLY A 7 12.559 12.267 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.814 10.152 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.392 9.303 6.920 1.00 0.00 H new ATOM 66 N PRO A 8 12.860 9.796 4.041 1.00 0.00 N ATOM 67 CA PRO A 8 12.408 9.801 2.645 1.00 0.00 C ATOM 68 C PRO A 8 11.253 8.836 2.407 1.00 0.00 C ATOM 69 O PRO A 8 11.266 7.705 2.893 1.00 0.00 O ATOM 70 CB PRO A 8 13.649 9.353 1.869 1.00 0.00 C ATOM 71 CG PRO A 8 14.442 8.558 2.848 1.00 0.00 C ATOM 72 CD PRO A 8 14.193 9.187 4.191 1.00 0.00 C ATOM 0 HA PRO A 8 12.029 10.777 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.377 8.754 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.216 10.208 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.133 7.513 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.503 8.578 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.209 8.446 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.951 9.933 4.432 1.00 0.00 H new ATOM 80 N ALA A 9 10.255 9.288 1.654 1.00 0.00 N ATOM 81 CA ALA A 9 9.094 8.462 1.349 1.00 0.00 C ATOM 82 C ALA A 9 9.194 7.869 -0.052 1.00 0.00 C ATOM 83 O ALA A 9 9.588 8.551 -0.999 1.00 0.00 O ATOM 84 CB ALA A 9 7.816 9.277 1.489 1.00 0.00 C ATOM 0 H ALA A 9 10.228 10.222 1.244 1.00 0.00 H new ATOM 0 HA ALA A 9 9.068 7.638 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.956 8.648 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.731 9.648 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.845 10.120 0.798 1.00 0.00 H new ATOM 90 N ARG A 10 8.839 6.595 -0.177 1.00 0.00 N ATOM 91 CA ARG A 10 8.893 5.909 -1.463 1.00 0.00 C ATOM 92 C ARG A 10 7.526 5.920 -2.141 1.00 0.00 C ATOM 93 O ARG A 10 6.483 5.822 -1.493 1.00 0.00 O ATOM 94 CB ARG A 10 9.370 4.468 -1.276 1.00 0.00 C ATOM 95 CG ARG A 10 10.879 4.337 -1.156 1.00 0.00 C ATOM 96 CD ARG A 10 11.321 2.884 -1.239 1.00 0.00 C ATOM 97 NE ARG A 10 11.248 2.216 0.057 1.00 0.00 N ATOM 98 CZ ARG A 10 11.528 0.930 0.238 1.00 0.00 C ATOM 99 NH1 ARG A 10 11.898 0.178 -0.790 1.00 0.00 N ATOM 100 NH2 ARG A 10 11.437 0.393 1.447 1.00 0.00 N ATOM 0 H ARG A 10 8.511 6.016 0.596 1.00 0.00 H new ATOM 0 HA ARG A 10 9.601 6.439 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.906 4.054 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.028 3.869 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.359 4.910 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.208 4.765 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.693 2.354 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.343 2.837 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 10 10.967 2.767 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.968 0.587 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.113 -0.809 -0.649 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.152 0.967 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.652 -0.595 1.584 1.00 0.00 H new ATOM 114 N PRO A 11 7.528 6.042 -3.476 1.00 0.00 N ATOM 115 CA PRO A 11 6.297 6.069 -4.272 1.00 0.00 C ATOM 116 C PRO A 11 5.596 4.715 -4.300 1.00 0.00 C ATOM 117 O PRO A 11 6.239 3.674 -4.439 1.00 0.00 O ATOM 118 CB PRO A 11 6.788 6.446 -5.672 1.00 0.00 C ATOM 119 CG PRO A 11 8.206 5.994 -5.712 1.00 0.00 C ATOM 120 CD PRO A 11 8.734 6.165 -4.313 1.00 0.00 C ATOM 0 HA PRO A 11 5.562 6.762 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.195 5.956 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.710 7.520 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.275 4.954 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.784 6.585 -6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.474 5.403 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.218 7.133 -4.181 1.00 0.00 H new ATOM 128 N PHE A 12 4.273 4.737 -4.167 1.00 0.00 N ATOM 129 CA PHE A 12 3.485 3.510 -4.176 1.00 0.00 C ATOM 130 C PHE A 12 2.091 3.764 -4.743 1.00 0.00 C ATOM 131 O PHE A 12 1.460 4.777 -4.437 1.00 0.00 O ATOM 132 CB PHE A 12 3.376 2.937 -2.762 1.00 0.00 C ATOM 133 CG PHE A 12 4.701 2.548 -2.169 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.449 1.523 -2.725 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.197 3.208 -1.056 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.669 1.164 -2.183 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.415 2.852 -0.509 1.00 0.00 C ATOM 138 CZ PHE A 12 7.152 1.828 -1.072 1.00 0.00 C ATOM 0 H PHE A 12 3.725 5.590 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 12 3.992 2.787 -4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.900 3.674 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.725 2.063 -2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.075 0.998 -3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.625 4.009 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.244 0.365 -2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.791 3.374 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.103 1.547 -0.645 1.00 0.00 H new ATOM 148 N ARG A 13 1.617 2.838 -5.570 1.00 0.00 N ATOM 149 CA ARG A 13 0.299 2.962 -6.180 1.00 0.00 C ATOM 150 C ARG A 13 -0.730 2.124 -5.428 1.00 0.00 C ATOM 151 O ARG A 13 -0.550 0.920 -5.244 1.00 0.00 O ATOM 152 CB ARG A 13 0.351 2.531 -7.648 1.00 0.00 C ATOM 153 CG ARG A 13 0.846 3.619 -8.586 1.00 0.00 C ATOM 154 CD ARG A 13 0.476 3.321 -10.030 1.00 0.00 C ATOM 155 NE ARG A 13 -0.970 3.248 -10.220 1.00 0.00 N ATOM 156 CZ ARG A 13 -1.568 3.436 -11.391 1.00 0.00 C ATOM 157 NH1 ARG A 13 -0.848 3.705 -12.472 1.00 0.00 N ATOM 158 NH2 ARG A 13 -2.890 3.354 -11.484 1.00 0.00 N ATOM 0 H ARG A 13 2.126 1.994 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.002 4.008 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.001 1.661 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.645 2.219 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.419 4.577 -8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.929 3.711 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.888 4.095 -10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.930 2.377 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.553 3.041 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.168 3.768 -12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.310 3.849 -13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.448 3.146 -10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.348 3.499 -12.384 1.00 0.00 H new ATOM 172 N VAL A 14 -1.809 2.768 -4.996 1.00 0.00 N ATOM 173 CA VAL A 14 -2.867 2.081 -4.264 1.00 0.00 C ATOM 174 C VAL A 14 -4.120 1.935 -5.120 1.00 0.00 C ATOM 175 O VAL A 14 -4.405 2.776 -5.971 1.00 0.00 O ATOM 176 CB VAL A 14 -3.229 2.830 -2.967 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.097 1.959 -2.072 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.970 3.270 -2.237 1.00 0.00 C ATOM 0 H VAL A 14 -1.974 3.764 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.486 1.092 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.799 3.721 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.343 2.505 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.016 1.699 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.556 1.048 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.245 3.797 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.371 2.395 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.390 3.934 -2.879 1.00 0.00 H new ATOM 188 N SER A 15 -4.866 0.858 -4.887 1.00 0.00 N ATOM 189 CA SER A 15 -6.088 0.598 -5.639 1.00 0.00 C ATOM 190 C SER A 15 -7.199 0.105 -4.716 1.00 0.00 C ATOM 191 O SER A 15 -6.957 -0.680 -3.800 1.00 0.00 O ATOM 192 CB SER A 15 -5.826 -0.434 -6.736 1.00 0.00 C ATOM 193 OG SER A 15 -4.709 -0.066 -7.528 1.00 0.00 O ATOM 0 H SER A 15 -4.645 0.153 -4.184 1.00 0.00 H new ATOM 0 HA SER A 15 -6.409 1.533 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.650 -1.411 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.709 -0.529 -7.369 1.00 0.00 H new ATOM 0 HG SER A 15 -4.211 -0.870 -7.785 1.00 0.00 H new ATOM 199 N ASN A 16 -8.417 0.573 -4.965 1.00 0.00 N ATOM 200 CA ASN A 16 -9.567 0.181 -4.157 1.00 0.00 C ATOM 201 C ASN A 16 -9.777 -1.328 -4.208 1.00 0.00 C ATOM 202 O ASN A 16 -9.044 -2.046 -4.889 1.00 0.00 O ATOM 203 CB ASN A 16 -10.826 0.901 -4.642 1.00 0.00 C ATOM 204 CG ASN A 16 -11.809 1.168 -3.518 1.00 0.00 C ATOM 205 OD1 ASN A 16 -11.738 0.549 -2.457 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.734 2.094 -3.748 1.00 0.00 N ATOM 0 H ASN A 16 -8.634 1.224 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.370 0.467 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.545 1.846 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.312 0.300 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.423 2.316 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.755 2.582 -4.643 1.00 0.00 H new ATOM 213 N HIS A 17 -10.785 -1.804 -3.484 1.00 0.00 N ATOM 214 CA HIS A 17 -11.095 -3.230 -3.447 1.00 0.00 C ATOM 215 C HIS A 17 -11.475 -3.738 -4.835 1.00 0.00 C ATOM 216 O HIS A 17 -10.990 -4.780 -5.278 1.00 0.00 O ATOM 217 CB HIS A 17 -12.233 -3.501 -2.463 1.00 0.00 C ATOM 218 CG HIS A 17 -13.533 -2.876 -2.863 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.537 -3.570 -3.505 1.00 0.00 N ATOM 220 CD2 HIS A 17 -13.994 -1.612 -2.707 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.556 -2.761 -3.729 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.252 -1.566 -3.253 1.00 0.00 N ATOM 0 H HIS A 17 -11.401 -1.224 -2.915 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.204 -3.762 -3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.371 -4.578 -2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.948 -3.128 -1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.469 -0.792 -2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.481 -3.030 -4.218 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.854 -0.744 -3.286 1.00 0.00 H new ATOM 231 N ASP A 18 -12.344 -2.998 -5.514 1.00 0.00 N ATOM 232 CA ASP A 18 -12.789 -3.374 -6.851 1.00 0.00 C ATOM 233 C ASP A 18 -11.872 -2.780 -7.915 1.00 0.00 C ATOM 234 O ASP A 18 -12.209 -2.765 -9.100 1.00 0.00 O ATOM 235 CB ASP A 18 -14.228 -2.911 -7.082 1.00 0.00 C ATOM 236 CG ASP A 18 -14.379 -1.408 -6.957 1.00 0.00 C ATOM 237 OD1 ASP A 18 -13.510 -0.775 -6.322 1.00 0.00 O ATOM 238 OD2 ASP A 18 -15.368 -0.864 -7.493 1.00 0.00 O ATOM 0 H ASP A 18 -12.755 -2.134 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.749 -4.461 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.553 -3.225 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.884 -3.400 -6.362 1.00 0.00 H new ATOM 243 N ARG A 19 -10.715 -2.289 -7.485 1.00 0.00 N ATOM 244 CA ARG A 19 -9.751 -1.691 -8.402 1.00 0.00 C ATOM 245 C ARG A 19 -10.421 -0.648 -9.291 1.00 0.00 C ATOM 246 O ARG A 19 -10.244 -0.651 -10.509 1.00 0.00 O ATOM 247 CB ARG A 19 -9.099 -2.771 -9.267 1.00 0.00 C ATOM 248 CG ARG A 19 -8.328 -3.809 -8.467 1.00 0.00 C ATOM 249 CD ARG A 19 -7.558 -4.754 -9.377 1.00 0.00 C ATOM 250 NE ARG A 19 -6.387 -4.111 -9.967 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.330 -4.779 -10.416 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.299 -6.103 -10.342 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.303 -4.123 -10.940 1.00 0.00 N ATOM 0 H ARG A 19 -10.422 -2.293 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.981 -1.197 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.871 -3.274 -9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.422 -2.296 -9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.635 -3.308 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.020 -4.381 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.243 -5.629 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.215 -5.109 -10.171 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.380 -3.094 -10.038 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.088 -6.610 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.487 -6.614 -10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.324 -3.105 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.492 -4.637 -11.284 1.00 0.00 H new ATOM 267 N SER A 20 -11.191 0.242 -8.673 1.00 0.00 N ATOM 268 CA SER A 20 -11.892 1.288 -9.409 1.00 0.00 C ATOM 269 C SER A 20 -11.225 2.644 -9.195 1.00 0.00 C ATOM 270 O SER A 20 -11.312 3.533 -10.041 1.00 0.00 O ATOM 271 CB SER A 20 -13.357 1.354 -8.973 1.00 0.00 C ATOM 272 OG SER A 20 -14.090 0.254 -9.482 1.00 0.00 O ATOM 0 H SER A 20 -11.345 0.260 -7.665 1.00 0.00 H new ATOM 0 HA SER A 20 -11.846 1.043 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.416 1.362 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.802 2.285 -9.323 1.00 0.00 H new ATOM 0 HG SER A 20 -14.853 0.069 -8.895 1.00 0.00 H new ATOM 278 N SER A 21 -10.557 2.793 -8.054 1.00 0.00 N ATOM 279 CA SER A 21 -9.877 4.040 -7.725 1.00 0.00 C ATOM 280 C SER A 21 -8.363 3.849 -7.720 1.00 0.00 C ATOM 281 O SER A 21 -7.864 2.769 -7.406 1.00 0.00 O ATOM 282 CB SER A 21 -10.342 4.555 -6.361 1.00 0.00 C ATOM 283 OG SER A 21 -11.443 5.436 -6.497 1.00 0.00 O ATOM 0 H SER A 21 -10.473 2.066 -7.343 1.00 0.00 H new ATOM 0 HA SER A 21 -10.130 4.775 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.622 3.714 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.520 5.069 -5.863 1.00 0.00 H new ATOM 0 HG SER A 21 -11.722 5.750 -5.612 1.00 0.00 H new ATOM 289 N ARG A 22 -7.638 4.907 -8.071 1.00 0.00 N ATOM 290 CA ARG A 22 -6.182 4.856 -8.108 1.00 0.00 C ATOM 291 C ARG A 22 -5.577 6.008 -7.311 1.00 0.00 C ATOM 292 O ARG A 22 -5.719 7.174 -7.681 1.00 0.00 O ATOM 293 CB ARG A 22 -5.686 4.908 -9.554 1.00 0.00 C ATOM 294 CG ARG A 22 -6.271 3.819 -10.439 1.00 0.00 C ATOM 295 CD ARG A 22 -6.379 4.274 -11.886 1.00 0.00 C ATOM 296 NE ARG A 22 -7.487 5.205 -12.086 1.00 0.00 N ATOM 297 CZ ARG A 22 -7.987 5.505 -13.280 1.00 0.00 C ATOM 298 NH1 ARG A 22 -7.481 4.951 -14.373 1.00 0.00 N ATOM 299 NH2 ARG A 22 -8.995 6.361 -13.381 1.00 0.00 N ATOM 0 H ARG A 22 -8.036 5.809 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.865 3.917 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.933 5.881 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.599 4.824 -9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.646 2.928 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.258 3.540 -10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.446 4.751 -12.187 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.515 3.405 -12.530 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.899 5.649 -11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.706 4.292 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.867 5.183 -15.288 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.386 6.789 -12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.379 6.591 -14.298 1.00 0.00 H new ATOM 313 N ARG A 23 -4.904 5.673 -6.214 1.00 0.00 N ATOM 314 CA ARG A 23 -4.279 6.679 -5.364 1.00 0.00 C ATOM 315 C ARG A 23 -2.835 6.304 -5.050 1.00 0.00 C ATOM 316 O ARG A 23 -2.566 5.246 -4.483 1.00 0.00 O ATOM 317 CB ARG A 23 -5.070 6.840 -4.064 1.00 0.00 C ATOM 318 CG ARG A 23 -4.998 8.240 -3.478 1.00 0.00 C ATOM 319 CD ARG A 23 -3.559 8.683 -3.267 1.00 0.00 C ATOM 320 NE ARG A 23 -3.027 9.388 -4.430 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.030 10.263 -4.365 1.00 0.00 C ATOM 322 NH1 ARG A 23 -1.458 10.538 -3.201 1.00 0.00 N ATOM 323 NH2 ARG A 23 -1.602 10.865 -5.468 1.00 0.00 N ATOM 0 H ARG A 23 -4.778 4.713 -5.894 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.281 7.627 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.114 6.586 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.694 6.128 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.501 8.941 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.531 8.265 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.504 9.332 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.939 7.812 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.444 9.198 -5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.783 10.077 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.693 11.211 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.039 10.656 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.836 11.537 -5.418 1.00 0.00 H new ATOM 337 N GLY A 24 -1.907 7.180 -5.424 1.00 0.00 N ATOM 338 CA GLY A 24 -0.500 6.923 -5.174 1.00 0.00 C ATOM 339 C GLY A 24 0.032 7.709 -3.993 1.00 0.00 C ATOM 340 O GLY A 24 0.229 8.921 -4.081 1.00 0.00 O ATOM 0 H GLY A 24 -2.104 8.063 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.355 5.858 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.076 7.176 -6.064 1.00 0.00 H new ATOM 344 N VAL A 25 0.264 7.018 -2.881 1.00 0.00 N ATOM 345 CA VAL A 25 0.776 7.659 -1.675 1.00 0.00 C ATOM 346 C VAL A 25 2.279 7.441 -1.533 1.00 0.00 C ATOM 347 O VAL A 25 2.813 6.422 -1.968 1.00 0.00 O ATOM 348 CB VAL A 25 0.071 7.126 -0.414 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.411 7.988 0.792 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.433 7.067 -0.631 1.00 0.00 C ATOM 0 H VAL A 25 0.106 6.014 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 25 0.573 8.726 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 25 0.427 6.114 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.096 7.596 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.488 7.974 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.085 9.012 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.916 6.688 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.808 8.066 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.654 6.404 -1.467 1.00 0.00 H new ATOM 360 N MET A 26 2.955 8.408 -0.922 1.00 0.00 N ATOM 361 CA MET A 26 4.397 8.322 -0.721 1.00 0.00 C ATOM 362 C MET A 26 4.736 8.252 0.764 1.00 0.00 C ATOM 363 O MET A 26 4.693 9.259 1.469 1.00 0.00 O ATOM 364 CB MET A 26 5.095 9.525 -1.359 1.00 0.00 C ATOM 365 CG MET A 26 4.888 9.621 -2.862 1.00 0.00 C ATOM 366 SD MET A 26 6.270 10.413 -3.705 1.00 0.00 S ATOM 367 CE MET A 26 7.648 9.474 -3.052 1.00 0.00 C ATOM 0 H MET A 26 2.528 9.260 -0.558 1.00 0.00 H new ATOM 0 HA MET A 26 4.751 7.409 -1.200 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.728 10.438 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.163 9.467 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.744 8.620 -3.270 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.975 10.181 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.377 9.300 -3.843 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.117 10.032 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.289 8.517 -2.673 1.00 0.00 H new ATOM 377 N ALA A 27 5.074 7.055 1.234 1.00 0.00 N ATOM 378 CA ALA A 27 5.421 6.855 2.635 1.00 0.00 C ATOM 379 C ALA A 27 6.810 6.241 2.774 1.00 0.00 C ATOM 380 O ALA A 27 7.311 5.600 1.850 1.00 0.00 O ATOM 381 CB ALA A 27 4.383 5.976 3.317 1.00 0.00 C ATOM 0 H ALA A 27 5.115 6.210 0.665 1.00 0.00 H new ATOM 0 HA ALA A 27 5.432 7.830 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.656 5.836 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.406 6.455 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.343 5.007 2.819 1.00 0.00 H new ATOM 387 N SER A 28 7.427 6.440 3.934 1.00 0.00 N ATOM 388 CA SER A 28 8.761 5.909 4.191 1.00 0.00 C ATOM 389 C SER A 28 8.683 4.486 4.733 1.00 0.00 C ATOM 390 O SER A 28 9.547 3.655 4.454 1.00 0.00 O ATOM 391 CB SER A 28 9.507 6.805 5.183 1.00 0.00 C ATOM 392 OG SER A 28 10.764 6.249 5.526 1.00 0.00 O ATOM 0 H SER A 28 7.025 6.965 4.711 1.00 0.00 H new ATOM 0 HA SER A 28 9.307 5.891 3.248 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.650 7.794 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.906 6.936 6.083 1.00 0.00 H new ATOM 0 HG SER A 28 11.419 6.468 4.831 1.00 0.00 H new ATOM 398 N SER A 29 7.642 4.212 5.512 1.00 0.00 N ATOM 399 CA SER A 29 7.452 2.890 6.099 1.00 0.00 C ATOM 400 C SER A 29 6.089 2.318 5.719 1.00 0.00 C ATOM 401 O SER A 29 5.339 2.924 4.952 1.00 0.00 O ATOM 402 CB SER A 29 7.581 2.960 7.621 1.00 0.00 C ATOM 403 OG SER A 29 8.468 3.994 8.010 1.00 0.00 O ATOM 0 H SER A 29 6.917 4.888 5.752 1.00 0.00 H new ATOM 0 HA SER A 29 8.226 2.231 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.600 3.132 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.941 2.005 8.003 1.00 0.00 H new ATOM 0 HG SER A 29 8.532 4.019 8.988 1.00 0.00 H new ATOM 409 N LEU A 30 5.774 1.146 6.261 1.00 0.00 N ATOM 410 CA LEU A 30 4.502 0.490 5.979 1.00 0.00 C ATOM 411 C LEU A 30 3.358 1.185 6.711 1.00 0.00 C ATOM 412 O LEU A 30 2.392 1.628 6.092 1.00 0.00 O ATOM 413 CB LEU A 30 4.564 -0.983 6.387 1.00 0.00 C ATOM 414 CG LEU A 30 3.230 -1.730 6.408 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.697 -1.909 4.996 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.385 -3.078 7.097 1.00 0.00 C ATOM 0 H LEU A 30 6.382 0.631 6.898 1.00 0.00 H new ATOM 0 HA LEU A 30 4.316 0.556 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.237 -1.501 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.009 -1.046 7.380 1.00 0.00 H new ATOM 0 HG LEU A 30 2.511 -1.136 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.747 -2.443 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.548 -0.932 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.413 -2.481 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.426 -3.596 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.119 -3.679 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.722 -2.926 8.123 1.00 0.00 H new ATOM 428 N GLN A 31 3.477 1.278 8.032 1.00 0.00 N ATOM 429 CA GLN A 31 2.454 1.920 8.847 1.00 0.00 C ATOM 430 C GLN A 31 2.086 3.287 8.282 1.00 0.00 C ATOM 431 O GLN A 31 0.921 3.557 7.991 1.00 0.00 O ATOM 432 CB GLN A 31 2.938 2.065 10.290 1.00 0.00 C ATOM 433 CG GLN A 31 2.037 2.936 11.150 1.00 0.00 C ATOM 434 CD GLN A 31 0.584 2.505 11.095 1.00 0.00 C ATOM 435 OE1 GLN A 31 -0.315 3.331 10.933 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.346 1.206 11.232 1.00 0.00 N ATOM 0 H GLN A 31 4.272 0.917 8.560 1.00 0.00 H new ATOM 0 HA GLN A 31 1.565 1.290 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.011 1.075 10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.942 2.488 10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.383 2.902 12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.118 3.972 10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.121 0.557 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.612 0.857 11.205 1.00 0.00 H new ATOM 445 N GLU A 32 3.088 4.148 8.129 1.00 0.00 N ATOM 446 CA GLU A 32 2.869 5.489 7.600 1.00 0.00 C ATOM 447 C GLU A 32 1.964 5.447 6.372 1.00 0.00 C ATOM 448 O GLU A 32 1.051 6.263 6.231 1.00 0.00 O ATOM 449 CB GLU A 32 4.204 6.144 7.241 1.00 0.00 C ATOM 450 CG GLU A 32 4.056 7.503 6.578 1.00 0.00 C ATOM 451 CD GLU A 32 5.242 8.412 6.840 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.675 8.501 8.008 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.735 9.035 5.877 1.00 0.00 O ATOM 0 H GLU A 32 4.059 3.940 8.364 1.00 0.00 H new ATOM 0 HA GLU A 32 2.378 6.081 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.800 6.254 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.756 5.482 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.937 7.368 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.147 7.983 6.941 1.00 0.00 H new ATOM 460 N LEU A 33 2.223 4.493 5.485 1.00 0.00 N ATOM 461 CA LEU A 33 1.432 4.345 4.268 1.00 0.00 C ATOM 462 C LEU A 33 -0.026 4.044 4.599 1.00 0.00 C ATOM 463 O LEU A 33 -0.902 4.886 4.406 1.00 0.00 O ATOM 464 CB LEU A 33 2.010 3.229 3.395 1.00 0.00 C ATOM 465 CG LEU A 33 1.248 2.925 2.104 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.282 4.124 1.169 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.828 1.696 1.420 1.00 0.00 C ATOM 0 H LEU A 33 2.974 3.810 5.585 1.00 0.00 H new ATOM 0 HA LEU A 33 1.473 5.286 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.035 3.492 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.056 2.317 3.990 1.00 0.00 H new ATOM 0 HG LEU A 33 0.208 2.718 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.735 3.889 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.819 4.981 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.316 4.363 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.274 1.494 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.876 1.874 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.750 0.838 2.087 1.00 0.00 H new ATOM 479 N ILE A 34 -0.277 2.839 5.100 1.00 0.00 N ATOM 480 CA ILE A 34 -1.629 2.429 5.461 1.00 0.00 C ATOM 481 C ILE A 34 -2.429 3.602 6.014 1.00 0.00 C ATOM 482 O ILE A 34 -3.461 3.981 5.458 1.00 0.00 O ATOM 483 CB ILE A 34 -1.614 1.295 6.502 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.033 0.018 5.891 1.00 0.00 C ATOM 485 CG2 ILE A 34 -3.017 1.044 7.033 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.565 -0.987 6.920 1.00 0.00 C ATOM 0 H ILE A 34 0.437 2.130 5.265 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.104 2.067 4.549 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.980 1.597 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.788 -0.448 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.195 0.282 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.989 0.239 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.396 1.952 7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.672 0.761 6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.166 -1.866 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.213 -0.539 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.405 -1.281 7.550 1.00 0.00 H new ATOM 498 N SER A 35 -1.947 4.175 7.112 1.00 0.00 N ATOM 499 CA SER A 35 -2.619 5.306 7.743 1.00 0.00 C ATOM 500 C SER A 35 -2.971 6.373 6.710 1.00 0.00 C ATOM 501 O SER A 35 -4.073 6.922 6.719 1.00 0.00 O ATOM 502 CB SER A 35 -1.733 5.909 8.834 1.00 0.00 C ATOM 503 OG SER A 35 -2.312 7.087 9.368 1.00 0.00 O ATOM 0 H SER A 35 -1.094 3.875 7.583 1.00 0.00 H new ATOM 0 HA SER A 35 -3.542 4.943 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.584 5.180 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.750 6.137 8.423 1.00 0.00 H new ATOM 0 HG SER A 35 -1.727 7.452 10.064 1.00 0.00 H new ATOM 509 N LYS A 36 -2.027 6.662 5.823 1.00 0.00 N ATOM 510 CA LYS A 36 -2.234 7.663 4.782 1.00 0.00 C ATOM 511 C LYS A 36 -3.312 7.212 3.801 1.00 0.00 C ATOM 512 O LYS A 36 -4.292 7.921 3.569 1.00 0.00 O ATOM 513 CB LYS A 36 -0.926 7.928 4.033 1.00 0.00 C ATOM 514 CG LYS A 36 0.135 8.602 4.884 1.00 0.00 C ATOM 515 CD LYS A 36 1.530 8.356 4.333 1.00 0.00 C ATOM 516 CE LYS A 36 1.929 9.426 3.328 1.00 0.00 C ATOM 517 NZ LYS A 36 2.280 10.710 3.996 1.00 0.00 N ATOM 0 H LYS A 36 -1.109 6.217 5.803 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.565 8.585 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.533 6.983 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.134 8.553 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.057 9.674 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.075 8.228 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.248 8.339 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.567 7.376 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.780 9.076 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.109 9.592 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.752 11.338 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.414 11.167 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.920 10.522 4.794 1.00 0.00 H new ATOM 531 N THR A 37 -3.126 6.027 3.228 1.00 0.00 N ATOM 532 CA THR A 37 -4.082 5.481 2.272 1.00 0.00 C ATOM 533 C THR A 37 -5.515 5.771 2.702 1.00 0.00 C ATOM 534 O THR A 37 -6.336 6.218 1.900 1.00 0.00 O ATOM 535 CB THR A 37 -3.905 3.960 2.107 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.519 3.643 1.932 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.703 3.449 0.917 1.00 0.00 C ATOM 0 H THR A 37 -2.322 5.427 3.409 1.00 0.00 H new ATOM 0 HA THR A 37 -3.887 5.967 1.316 1.00 0.00 H new ATOM 0 HB THR A 37 -4.276 3.473 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.415 2.674 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.563 2.372 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.761 3.665 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.358 3.943 0.009 1.00 0.00 H new ATOM 545 N LEU A 38 -5.809 5.517 3.972 1.00 0.00 N ATOM 546 CA LEU A 38 -7.146 5.752 4.508 1.00 0.00 C ATOM 547 C LEU A 38 -7.608 7.176 4.215 1.00 0.00 C ATOM 548 O LEU A 38 -8.665 7.384 3.618 1.00 0.00 O ATOM 549 CB LEU A 38 -7.162 5.500 6.017 1.00 0.00 C ATOM 550 CG LEU A 38 -7.377 4.051 6.454 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.822 3.825 7.852 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.855 3.691 6.400 1.00 0.00 C ATOM 0 H LEU A 38 -5.141 5.149 4.649 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.833 5.059 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.216 5.847 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.948 6.112 6.459 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.839 3.401 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.985 2.788 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.754 4.040 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.329 4.485 8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.989 2.656 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.414 4.348 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.222 3.811 5.381 1.00 0.00 H new ATOM 564 N ASP A 39 -6.809 8.150 4.634 1.00 0.00 N ATOM 565 CA ASP A 39 -7.134 9.554 4.413 1.00 0.00 C ATOM 566 C ASP A 39 -7.179 9.873 2.921 1.00 0.00 C ATOM 567 O ASP A 39 -8.140 10.465 2.432 1.00 0.00 O ATOM 568 CB ASP A 39 -6.111 10.453 5.109 1.00 0.00 C ATOM 569 CG ASP A 39 -6.513 10.796 6.530 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.797 9.862 7.308 1.00 0.00 O ATOM 571 OD2 ASP A 39 -6.543 11.999 6.863 1.00 0.00 O ATOM 0 H ASP A 39 -5.931 7.993 5.129 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.120 9.744 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.141 9.955 5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.991 11.373 4.536 1.00 0.00 H new ATOM 576 N ALA A 40 -6.133 9.476 2.205 1.00 0.00 N ATOM 577 CA ALA A 40 -6.053 9.719 0.770 1.00 0.00 C ATOM 578 C ALA A 40 -7.306 9.221 0.059 1.00 0.00 C ATOM 579 O ALA A 40 -8.043 10.003 -0.545 1.00 0.00 O ATOM 580 CB ALA A 40 -4.814 9.052 0.190 1.00 0.00 C ATOM 0 H ALA A 40 -5.329 8.985 2.595 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.980 10.795 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.767 9.242 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.924 9.458 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.863 7.978 0.367 1.00 0.00 H new ATOM 586 N LEU A 41 -7.544 7.916 0.132 1.00 0.00 N ATOM 587 CA LEU A 41 -8.709 7.313 -0.505 1.00 0.00 C ATOM 588 C LEU A 41 -9.993 7.717 0.213 1.00 0.00 C ATOM 589 O LEU A 41 -11.095 7.412 -0.244 1.00 0.00 O ATOM 590 CB LEU A 41 -8.577 5.789 -0.517 1.00 0.00 C ATOM 591 CG LEU A 41 -7.846 5.189 -1.719 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.554 3.714 -1.484 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.662 5.377 -2.990 1.00 0.00 C ATOM 0 H LEU A 41 -6.945 7.255 0.626 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.759 7.676 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.056 5.482 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.577 5.357 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.897 5.712 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.034 3.304 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.928 3.604 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.491 3.177 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.126 4.944 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.626 4.881 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.819 6.441 -3.167 1.00 0.00 H new ATOM 605 N VAL A 42 -9.844 8.408 1.338 1.00 0.00 N ATOM 606 CA VAL A 42 -10.990 8.859 2.117 1.00 0.00 C ATOM 607 C VAL A 42 -11.976 7.719 2.353 1.00 0.00 C ATOM 608 O VAL A 42 -13.161 7.834 2.037 1.00 0.00 O ATOM 609 CB VAL A 42 -11.723 10.020 1.419 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.802 10.592 2.325 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.735 11.101 1.006 1.00 0.00 C ATOM 0 H VAL A 42 -8.939 8.668 1.731 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.604 9.207 3.075 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.204 9.635 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.309 11.411 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.525 9.813 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.347 10.963 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.269 11.914 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.225 11.484 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.002 10.680 0.318 1.00 0.00 H new ATOM 621 N ILE A 43 -11.479 6.620 2.908 1.00 0.00 N ATOM 622 CA ILE A 43 -12.316 5.460 3.188 1.00 0.00 C ATOM 623 C ILE A 43 -13.362 5.779 4.250 1.00 0.00 C ATOM 624 O ILE A 43 -13.095 6.523 5.194 1.00 0.00 O ATOM 625 CB ILE A 43 -11.475 4.257 3.655 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.349 3.976 2.659 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.356 3.029 3.828 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.467 2.814 3.056 1.00 0.00 C ATOM 0 H ILE A 43 -10.500 6.508 3.173 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.817 5.201 2.255 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.029 4.498 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.783 3.774 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.734 4.870 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.747 2.188 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.125 3.235 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.829 2.783 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.691 2.673 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.004 3.022 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.069 1.909 3.130 1.00 0.00 H new ATOM 640 N ALA A 44 -14.552 5.210 4.093 1.00 0.00 N ATOM 641 CA ALA A 44 -15.637 5.431 5.041 1.00 0.00 C ATOM 642 C ALA A 44 -15.234 4.999 6.446 1.00 0.00 C ATOM 643 O ALA A 44 -15.244 5.801 7.382 1.00 0.00 O ATOM 644 CB ALA A 44 -16.887 4.687 4.596 1.00 0.00 C ATOM 0 H ALA A 44 -14.790 4.592 3.317 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.853 6.499 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.689 4.861 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.194 5.047 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.675 3.619 4.541 1.00 0.00 H new ATOM 650 N THR A 45 -14.880 3.726 6.591 1.00 0.00 N ATOM 651 CA THR A 45 -14.474 3.187 7.883 1.00 0.00 C ATOM 652 C THR A 45 -12.958 3.212 8.039 1.00 0.00 C ATOM 653 O THR A 45 -12.239 3.650 7.141 1.00 0.00 O ATOM 654 CB THR A 45 -14.974 1.742 8.069 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.635 1.271 9.379 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.370 0.820 7.021 1.00 0.00 C ATOM 0 H THR A 45 -14.866 3.048 5.829 1.00 0.00 H new ATOM 0 HA THR A 45 -14.924 3.822 8.646 1.00 0.00 H new ATOM 0 HB THR A 45 -16.058 1.738 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.930 1.924 10.048 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.738 -0.195 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.654 1.164 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.284 0.829 7.111 1.00 0.00 H new ATOM 664 N GLY A 46 -12.478 2.738 9.184 1.00 0.00 N ATOM 665 CA GLY A 46 -11.049 2.715 9.436 1.00 0.00 C ATOM 666 C GLY A 46 -10.467 1.318 9.350 1.00 0.00 C ATOM 667 O GLY A 46 -9.295 1.145 9.016 1.00 0.00 O ATOM 0 H GLY A 46 -13.053 2.369 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.546 3.360 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.851 3.127 10.425 1.00 0.00 H new ATOM 671 N LEU A 47 -11.287 0.319 9.656 1.00 0.00 N ATOM 672 CA LEU A 47 -10.847 -1.071 9.614 1.00 0.00 C ATOM 673 C LEU A 47 -10.620 -1.528 8.176 1.00 0.00 C ATOM 674 O LEU A 47 -11.567 -1.862 7.464 1.00 0.00 O ATOM 675 CB LEU A 47 -11.880 -1.975 10.292 1.00 0.00 C ATOM 676 CG LEU A 47 -11.336 -3.249 10.938 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.801 -4.199 9.878 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.250 -2.911 11.950 1.00 0.00 C ATOM 0 H LEU A 47 -12.260 0.445 9.936 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.902 -1.143 10.152 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.394 -1.394 11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.628 -2.258 9.551 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.153 -3.745 11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.418 -5.100 10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.604 -4.466 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.997 -3.712 9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.874 -3.830 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.433 -2.392 11.448 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.664 -2.269 12.727 1.00 0.00 H new ATOM 690 N VAL A 48 -9.360 -1.542 7.756 1.00 0.00 N ATOM 691 CA VAL A 48 -9.008 -1.960 6.404 1.00 0.00 C ATOM 692 C VAL A 48 -7.733 -2.795 6.402 1.00 0.00 C ATOM 693 O VAL A 48 -6.915 -2.705 7.318 1.00 0.00 O ATOM 694 CB VAL A 48 -8.816 -0.748 5.474 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.122 0.015 5.315 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.719 0.162 6.004 1.00 0.00 C ATOM 0 H VAL A 48 -8.565 -1.268 8.333 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.836 -2.565 6.034 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.513 -1.110 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.967 0.868 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.878 -0.643 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.458 0.368 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.597 1.013 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.990 0.518 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.782 -0.392 6.061 1.00 0.00 H new ATOM 706 N THR A 49 -7.569 -3.612 5.366 1.00 0.00 N ATOM 707 CA THR A 49 -6.393 -4.465 5.243 1.00 0.00 C ATOM 708 C THR A 49 -5.596 -4.125 3.989 1.00 0.00 C ATOM 709 O THR A 49 -6.157 -3.986 2.902 1.00 0.00 O ATOM 710 CB THR A 49 -6.783 -5.954 5.203 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.407 -6.332 6.435 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.560 -6.827 4.958 1.00 0.00 C ATOM 0 H THR A 49 -8.236 -3.701 4.600 1.00 0.00 H new ATOM 0 HA THR A 49 -5.775 -4.282 6.122 1.00 0.00 H new ATOM 0 HB THR A 49 -7.485 -6.101 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.653 -7.280 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.860 -7.875 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.106 -6.557 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.838 -6.675 5.760 1.00 0.00 H new ATOM 720 N LEU A 50 -4.283 -3.994 4.146 1.00 0.00 N ATOM 721 CA LEU A 50 -3.406 -3.671 3.026 1.00 0.00 C ATOM 722 C LEU A 50 -2.701 -4.920 2.509 1.00 0.00 C ATOM 723 O LEU A 50 -2.128 -5.687 3.283 1.00 0.00 O ATOM 724 CB LEU A 50 -2.373 -2.625 3.446 1.00 0.00 C ATOM 725 CG LEU A 50 -1.658 -1.892 2.310 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.571 -0.841 1.696 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.371 -1.256 2.811 1.00 0.00 C ATOM 0 H LEU A 50 -3.802 -4.107 5.039 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.019 -3.264 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.870 -1.885 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.621 -3.114 4.065 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.403 -2.619 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.046 -0.329 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.465 -1.322 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.857 -0.117 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.124 -0.739 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.602 -0.542 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.289 -2.030 3.202 1.00 0.00 H new ATOM 739 N VAL A 51 -2.744 -5.117 1.195 1.00 0.00 N ATOM 740 CA VAL A 51 -2.107 -6.272 0.574 1.00 0.00 C ATOM 741 C VAL A 51 -1.417 -5.884 -0.729 1.00 0.00 C ATOM 742 O VAL A 51 -1.492 -4.734 -1.166 1.00 0.00 O ATOM 743 CB VAL A 51 -3.127 -7.391 0.289 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.851 -7.791 1.565 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.115 -6.951 -0.780 1.00 0.00 C ATOM 0 H VAL A 51 -3.213 -4.492 0.540 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.363 -6.641 1.280 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.590 -8.263 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.567 -8.582 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.127 -8.150 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.378 -6.927 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.828 -7.753 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.649 -6.064 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.577 -6.720 -1.699 1.00 0.00 H new ATOM 755 N LEU A 52 -0.745 -6.850 -1.347 1.00 0.00 N ATOM 756 CA LEU A 52 -0.041 -6.609 -2.602 1.00 0.00 C ATOM 757 C LEU A 52 -0.973 -6.800 -3.794 1.00 0.00 C ATOM 758 O LEU A 52 -1.830 -7.685 -3.788 1.00 0.00 O ATOM 759 CB LEU A 52 1.160 -7.548 -2.723 1.00 0.00 C ATOM 760 CG LEU A 52 2.194 -7.464 -1.600 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.119 -8.671 -1.635 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.994 -6.174 -1.707 1.00 0.00 C ATOM 0 H LEU A 52 -0.673 -7.806 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 52 0.311 -5.577 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.791 -8.572 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.662 -7.343 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 52 1.667 -7.463 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.848 -8.594 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.534 -9.582 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.639 -8.703 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.725 -6.131 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.511 -6.145 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.320 -5.321 -1.632 1.00 0.00 H new ATOM 774 N GLU A 53 -0.798 -5.967 -4.815 1.00 0.00 N ATOM 775 CA GLU A 53 -1.623 -6.047 -6.015 1.00 0.00 C ATOM 776 C GLU A 53 -1.086 -7.102 -6.976 1.00 0.00 C ATOM 777 O GLU A 53 -1.362 -7.063 -8.175 1.00 0.00 O ATOM 778 CB GLU A 53 -1.679 -4.687 -6.713 1.00 0.00 C ATOM 779 CG GLU A 53 -2.789 -4.577 -7.744 1.00 0.00 C ATOM 780 CD GLU A 53 -4.091 -4.073 -7.149 1.00 0.00 C ATOM 781 OE1 GLU A 53 -4.768 -4.859 -6.454 1.00 0.00 O ATOM 782 OE2 GLU A 53 -4.432 -2.894 -7.380 1.00 0.00 O ATOM 0 H GLU A 53 -0.093 -5.230 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.630 -6.335 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.813 -3.908 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.722 -4.498 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.474 -3.904 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.956 -5.554 -8.199 1.00 0.00 H new ATOM 789 N GLU A 54 -0.315 -8.044 -6.442 1.00 0.00 N ATOM 790 CA GLU A 54 0.263 -9.110 -7.252 1.00 0.00 C ATOM 791 C GLU A 54 -0.363 -10.457 -6.906 1.00 0.00 C ATOM 792 O GLU A 54 -0.830 -11.182 -7.786 1.00 0.00 O ATOM 793 CB GLU A 54 1.778 -9.172 -7.048 1.00 0.00 C ATOM 794 CG GLU A 54 2.190 -9.382 -5.600 1.00 0.00 C ATOM 795 CD GLU A 54 3.591 -8.880 -5.313 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.559 -9.572 -5.689 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.719 -7.792 -4.712 1.00 0.00 O ATOM 0 H GLU A 54 -0.076 -8.091 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 54 0.053 -8.890 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.185 -9.982 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.223 -8.246 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.484 -8.869 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.132 -10.444 -5.360 1.00 0.00 H new ATOM 804 N ASP A 55 -0.369 -10.788 -5.619 1.00 0.00 N ATOM 805 CA ASP A 55 -0.937 -12.048 -5.156 1.00 0.00 C ATOM 806 C ASP A 55 -1.821 -11.827 -3.932 1.00 0.00 C ATOM 807 O ASP A 55 -2.334 -12.779 -3.344 1.00 0.00 O ATOM 808 CB ASP A 55 0.175 -13.043 -4.823 1.00 0.00 C ATOM 809 CG ASP A 55 0.824 -13.622 -6.066 1.00 0.00 C ATOM 810 OD1 ASP A 55 1.182 -12.838 -6.969 1.00 0.00 O ATOM 811 OD2 ASP A 55 0.974 -14.859 -6.134 1.00 0.00 O ATOM 0 H ASP A 55 0.013 -10.201 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.551 -12.457 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.934 -12.547 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.235 -13.853 -4.219 1.00 0.00 H new ATOM 816 N GLY A 56 -1.995 -10.564 -3.552 1.00 0.00 N ATOM 817 CA GLY A 56 -2.815 -10.242 -2.400 1.00 0.00 C ATOM 818 C GLY A 56 -2.217 -10.746 -1.102 1.00 0.00 C ATOM 819 O GLY A 56 -2.895 -11.400 -0.308 1.00 0.00 O ATOM 0 H GLY A 56 -1.582 -9.759 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.944 -9.161 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.807 -10.675 -2.532 1.00 0.00 H new ATOM 823 N THR A 57 -0.940 -10.444 -0.884 1.00 0.00 N ATOM 824 CA THR A 57 -0.249 -10.873 0.325 1.00 0.00 C ATOM 825 C THR A 57 -0.320 -9.802 1.408 1.00 0.00 C ATOM 826 O THR A 57 0.390 -8.799 1.350 1.00 0.00 O ATOM 827 CB THR A 57 1.228 -11.203 0.040 1.00 0.00 C ATOM 828 OG1 THR A 57 1.321 -12.161 -1.019 1.00 0.00 O ATOM 829 CG2 THR A 57 1.911 -11.748 1.286 1.00 0.00 C ATOM 0 H THR A 57 -0.364 -9.904 -1.530 1.00 0.00 H new ATOM 0 HA THR A 57 -0.753 -11.774 0.675 1.00 0.00 H new ATOM 0 HB THR A 57 1.732 -10.283 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.264 -12.364 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.953 -11.974 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.865 -11.004 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.405 -12.657 1.610 1.00 0.00 H new ATOM 837 N VAL A 58 -1.180 -10.024 2.397 1.00 0.00 N ATOM 838 CA VAL A 58 -1.342 -9.079 3.496 1.00 0.00 C ATOM 839 C VAL A 58 0.008 -8.547 3.966 1.00 0.00 C ATOM 840 O VAL A 58 0.842 -9.301 4.468 1.00 0.00 O ATOM 841 CB VAL A 58 -2.073 -9.723 4.688 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.105 -8.769 5.873 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.480 -10.139 4.289 1.00 0.00 C ATOM 0 H VAL A 58 -1.775 -10.850 2.460 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.943 -8.252 3.117 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.526 -10.617 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.626 -9.241 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.085 -8.527 6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.627 -7.855 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.982 -10.592 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.040 -9.263 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.429 -10.861 3.474 1.00 0.00 H new ATOM 853 N VAL A 59 0.215 -7.245 3.801 1.00 0.00 N ATOM 854 CA VAL A 59 1.463 -6.612 4.212 1.00 0.00 C ATOM 855 C VAL A 59 1.262 -5.760 5.461 1.00 0.00 C ATOM 856 O VAL A 59 0.892 -4.590 5.374 1.00 0.00 O ATOM 857 CB VAL A 59 2.039 -5.728 3.090 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.431 -5.237 3.458 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.065 -6.490 1.773 1.00 0.00 C ATOM 0 H VAL A 59 -0.465 -6.608 3.386 1.00 0.00 H new ATOM 0 HA VAL A 59 2.167 -7.414 4.432 1.00 0.00 H new ATOM 0 HB VAL A 59 1.393 -4.858 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.822 -4.614 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.380 -4.653 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.090 -6.092 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.475 -5.851 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.688 -7.378 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.051 -6.787 1.505 1.00 0.00 H new ATOM 869 N ASP A 60 1.510 -6.357 6.622 1.00 0.00 N ATOM 870 CA ASP A 60 1.358 -5.653 7.891 1.00 0.00 C ATOM 871 C ASP A 60 2.665 -5.665 8.678 1.00 0.00 C ATOM 872 O ASP A 60 2.662 -5.599 9.908 1.00 0.00 O ATOM 873 CB ASP A 60 0.241 -6.288 8.721 1.00 0.00 C ATOM 874 CG ASP A 60 -0.452 -5.287 9.621 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.877 -4.228 9.114 1.00 0.00 O ATOM 876 OD2 ASP A 60 -0.570 -5.560 10.834 1.00 0.00 O ATOM 0 H ASP A 60 1.817 -7.326 6.711 1.00 0.00 H new ATOM 0 HA ASP A 60 1.094 -4.618 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.492 -6.740 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.656 -7.092 9.329 1.00 0.00 H new ATOM 881 N THR A 61 3.780 -5.750 7.961 1.00 0.00 N ATOM 882 CA THR A 61 5.094 -5.773 8.592 1.00 0.00 C ATOM 883 C THR A 61 6.054 -4.814 7.898 1.00 0.00 C ATOM 884 O THR A 61 5.867 -4.471 6.731 1.00 0.00 O ATOM 885 CB THR A 61 5.701 -7.189 8.576 1.00 0.00 C ATOM 886 OG1 THR A 61 5.554 -7.771 7.276 1.00 0.00 O ATOM 887 CG2 THR A 61 5.028 -8.078 9.613 1.00 0.00 C ATOM 0 H THR A 61 3.800 -5.804 6.943 1.00 0.00 H new ATOM 0 HA THR A 61 4.953 -5.458 9.626 1.00 0.00 H new ATOM 0 HB THR A 61 6.760 -7.109 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.944 -8.670 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.473 -9.073 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.166 -7.648 10.605 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.963 -8.150 9.394 1.00 0.00 H new ATOM 895 N GLU A 62 7.084 -4.387 8.623 1.00 0.00 N ATOM 896 CA GLU A 62 8.074 -3.466 8.075 1.00 0.00 C ATOM 897 C GLU A 62 9.163 -4.225 7.320 1.00 0.00 C ATOM 898 O GLU A 62 9.790 -3.686 6.409 1.00 0.00 O ATOM 899 CB GLU A 62 8.700 -2.632 9.193 1.00 0.00 C ATOM 900 CG GLU A 62 7.956 -1.337 9.476 1.00 0.00 C ATOM 901 CD GLU A 62 8.078 -0.898 10.923 1.00 0.00 C ATOM 902 OE1 GLU A 62 7.588 -1.629 11.808 1.00 0.00 O ATOM 903 OE2 GLU A 62 8.665 0.177 11.167 1.00 0.00 O ATOM 0 H GLU A 62 7.254 -4.664 9.590 1.00 0.00 H new ATOM 0 HA GLU A 62 7.567 -2.801 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.734 -3.229 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.731 -2.398 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.343 -0.551 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.903 -1.466 9.227 1.00 0.00 H new ATOM 910 N GLU A 63 9.380 -5.478 7.708 1.00 0.00 N ATOM 911 CA GLU A 63 10.393 -6.309 7.069 1.00 0.00 C ATOM 912 C GLU A 63 9.952 -6.724 5.669 1.00 0.00 C ATOM 913 O GLU A 63 10.779 -6.906 4.774 1.00 0.00 O ATOM 914 CB GLU A 63 10.674 -7.551 7.917 1.00 0.00 C ATOM 915 CG GLU A 63 9.564 -8.587 7.866 1.00 0.00 C ATOM 916 CD GLU A 63 9.619 -9.559 9.028 1.00 0.00 C ATOM 917 OE1 GLU A 63 9.687 -9.097 10.186 1.00 0.00 O ATOM 918 OE2 GLU A 63 9.592 -10.782 8.779 1.00 0.00 O ATOM 0 H GLU A 63 8.869 -5.939 8.461 1.00 0.00 H new ATOM 0 HA GLU A 63 11.307 -5.722 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.603 -8.009 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.828 -7.246 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.599 -8.080 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.632 -9.141 6.930 1.00 0.00 H new ATOM 925 N PHE A 64 8.645 -6.874 5.486 1.00 0.00 N ATOM 926 CA PHE A 64 8.093 -7.270 4.196 1.00 0.00 C ATOM 927 C PHE A 64 7.834 -6.049 3.318 1.00 0.00 C ATOM 928 O PHE A 64 7.832 -6.143 2.090 1.00 0.00 O ATOM 929 CB PHE A 64 6.795 -8.057 4.392 1.00 0.00 C ATOM 930 CG PHE A 64 6.313 -8.738 3.144 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.189 -9.463 2.352 1.00 0.00 C ATOM 932 CD2 PHE A 64 4.984 -8.654 2.761 1.00 0.00 C ATOM 933 CE1 PHE A 64 6.749 -10.091 1.201 1.00 0.00 C ATOM 934 CE2 PHE A 64 4.538 -9.281 1.613 1.00 0.00 C ATOM 935 CZ PHE A 64 5.422 -10.000 0.832 1.00 0.00 C ATOM 0 H PHE A 64 7.947 -6.727 6.216 1.00 0.00 H new ATOM 0 HA PHE A 64 8.823 -7.907 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.947 -8.806 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.019 -7.380 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.228 -9.539 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.289 -8.092 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.443 -10.652 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.499 -9.209 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.075 -10.490 -0.066 1.00 0.00 H new ATOM 945 N PHE A 65 7.614 -4.905 3.956 1.00 0.00 N ATOM 946 CA PHE A 65 7.351 -3.665 3.235 1.00 0.00 C ATOM 947 C PHE A 65 8.653 -2.944 2.902 1.00 0.00 C ATOM 948 O PHE A 65 8.789 -2.347 1.834 1.00 0.00 O ATOM 949 CB PHE A 65 6.446 -2.750 4.062 1.00 0.00 C ATOM 950 CG PHE A 65 6.529 -1.304 3.664 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.627 -0.537 4.019 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.511 -0.713 2.934 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.706 0.793 3.655 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.586 0.617 2.566 1.00 0.00 C ATOM 955 CZ PHE A 65 6.685 1.371 2.926 1.00 0.00 C ATOM 0 H PHE A 65 7.613 -4.810 4.972 1.00 0.00 H new ATOM 0 HA PHE A 65 6.846 -3.917 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.414 -3.087 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.712 -2.844 5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.430 -0.984 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.649 -1.298 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.566 1.381 3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.785 1.066 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.746 2.410 2.638 1.00 0.00 H new ATOM 965 N GLN A 66 9.609 -3.004 3.824 1.00 0.00 N ATOM 966 CA GLN A 66 10.900 -2.355 3.628 1.00 0.00 C ATOM 967 C GLN A 66 11.711 -3.069 2.553 1.00 0.00 C ATOM 968 O GLN A 66 12.644 -2.502 1.982 1.00 0.00 O ATOM 969 CB GLN A 66 11.684 -2.327 4.942 1.00 0.00 C ATOM 970 CG GLN A 66 11.057 -1.442 6.007 1.00 0.00 C ATOM 971 CD GLN A 66 11.555 -0.013 5.945 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.747 0.235 5.762 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.642 0.940 6.099 1.00 0.00 N ATOM 0 H GLN A 66 9.514 -3.495 4.713 1.00 0.00 H new ATOM 0 HA GLN A 66 10.718 -1.332 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.766 -3.343 5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.698 -1.979 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.973 -1.451 5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.274 -1.856 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.664 0.690 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.919 1.921 6.068 1.00 0.00 H new ATOM 982 N THR A 67 11.351 -4.319 2.280 1.00 0.00 N ATOM 983 CA THR A 67 12.046 -5.112 1.273 1.00 0.00 C ATOM 984 C THR A 67 11.570 -4.758 -0.131 1.00 0.00 C ATOM 985 O THR A 67 12.350 -4.775 -1.084 1.00 0.00 O ATOM 986 CB THR A 67 11.841 -6.621 1.507 1.00 0.00 C ATOM 987 OG1 THR A 67 10.453 -6.899 1.726 1.00 0.00 O ATOM 988 CG2 THR A 67 12.653 -7.099 2.702 1.00 0.00 C ATOM 0 H THR A 67 10.582 -4.804 2.742 1.00 0.00 H new ATOM 0 HA THR A 67 13.107 -4.878 1.363 1.00 0.00 H new ATOM 0 HB THR A 67 12.182 -7.153 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.269 -6.910 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.492 -8.167 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.712 -6.913 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.338 -6.560 3.595 1.00 0.00 H new ATOM 996 N LEU A 68 10.287 -4.438 -0.253 1.00 0.00 N ATOM 997 CA LEU A 68 9.708 -4.077 -1.542 1.00 0.00 C ATOM 998 C LEU A 68 10.571 -3.044 -2.257 1.00 0.00 C ATOM 999 O LEU A 68 11.490 -2.475 -1.671 1.00 0.00 O ATOM 1000 CB LEU A 68 8.290 -3.533 -1.352 1.00 0.00 C ATOM 1001 CG LEU A 68 7.329 -4.423 -0.564 1.00 0.00 C ATOM 1002 CD1 LEU A 68 6.048 -3.670 -0.240 1.00 0.00 C ATOM 1003 CD2 LEU A 68 7.021 -5.695 -1.341 1.00 0.00 C ATOM 0 H LEU A 68 9.628 -4.421 0.525 1.00 0.00 H new ATOM 0 HA LEU A 68 9.666 -4.975 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.357 -2.569 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.858 -3.349 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 68 7.809 -4.702 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.376 -4.320 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.285 -2.790 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.564 -3.360 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.335 -6.316 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.562 -5.436 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.945 -6.245 -1.520 1.00 0.00 H new ATOM 1015 N GLY A 69 10.266 -2.805 -3.530 1.00 0.00 N ATOM 1016 CA GLY A 69 11.022 -1.839 -4.304 1.00 0.00 C ATOM 1017 C GLY A 69 10.283 -0.525 -4.472 1.00 0.00 C ATOM 1018 O GLY A 69 9.502 -0.130 -3.607 1.00 0.00 O ATOM 0 H GLY A 69 9.509 -3.263 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.978 -1.655 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.242 -2.257 -5.286 1.00 0.00 H new ATOM 1022 N ASP A 70 10.533 0.153 -5.587 1.00 0.00 N ATOM 1023 CA ASP A 70 9.886 1.431 -5.865 1.00 0.00 C ATOM 1024 C ASP A 70 8.702 1.246 -6.808 1.00 0.00 C ATOM 1025 O ASP A 70 8.733 0.400 -7.701 1.00 0.00 O ATOM 1026 CB ASP A 70 10.889 2.413 -6.472 1.00 0.00 C ATOM 1027 CG ASP A 70 11.889 1.730 -7.384 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.537 1.456 -8.550 1.00 0.00 O ATOM 1029 OD2 ASP A 70 13.024 1.468 -6.931 1.00 0.00 O ATOM 0 H ASP A 70 11.178 -0.160 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 70 9.517 1.837 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.351 3.176 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.423 2.924 -5.671 1.00 0.00 H new ATOM 1034 N ASN A 71 7.658 2.043 -6.602 1.00 0.00 N ATOM 1035 CA ASN A 71 6.462 1.966 -7.434 1.00 0.00 C ATOM 1036 C ASN A 71 5.741 0.637 -7.227 1.00 0.00 C ATOM 1037 O ASN A 71 5.239 0.037 -8.178 1.00 0.00 O ATOM 1038 CB ASN A 71 6.829 2.136 -8.909 1.00 0.00 C ATOM 1039 CG ASN A 71 7.970 3.116 -9.112 1.00 0.00 C ATOM 1040 OD1 ASN A 71 8.969 2.797 -9.756 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.824 4.316 -8.560 1.00 0.00 N ATOM 0 H ASN A 71 7.616 2.749 -5.867 1.00 0.00 H new ATOM 0 HA ASN A 71 5.792 2.773 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.107 1.168 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.955 2.481 -9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.558 5.017 -8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.978 4.536 -8.034 1.00 0.00 H new ATOM 1048 N THR A 72 5.692 0.184 -5.978 1.00 0.00 N ATOM 1049 CA THR A 72 5.034 -1.073 -5.647 1.00 0.00 C ATOM 1050 C THR A 72 3.530 -0.879 -5.484 1.00 0.00 C ATOM 1051 O THR A 72 3.082 -0.089 -4.654 1.00 0.00 O ATOM 1052 CB THR A 72 5.604 -1.682 -4.352 1.00 0.00 C ATOM 1053 OG1 THR A 72 7.026 -1.814 -4.458 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.982 -3.042 -4.073 1.00 0.00 C ATOM 0 H THR A 72 6.100 0.669 -5.179 1.00 0.00 H new ATOM 0 HA THR A 72 5.223 -1.756 -6.475 1.00 0.00 H new ATOM 0 HB THR A 72 5.362 -1.014 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.457 -1.020 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.400 -3.452 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.903 -2.933 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.196 -3.717 -4.902 1.00 0.00 H new ATOM 1062 N HIS A 73 2.755 -1.608 -6.281 1.00 0.00 N ATOM 1063 CA HIS A 73 1.300 -1.517 -6.224 1.00 0.00 C ATOM 1064 C HIS A 73 0.764 -2.182 -4.960 1.00 0.00 C ATOM 1065 O HIS A 73 1.408 -3.061 -4.387 1.00 0.00 O ATOM 1066 CB HIS A 73 0.679 -2.169 -7.460 1.00 0.00 C ATOM 1067 CG HIS A 73 0.501 -1.225 -8.609 1.00 0.00 C ATOM 1068 ND1 HIS A 73 1.278 -1.270 -9.747 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.374 -0.209 -8.792 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.890 -0.320 -10.580 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.112 0.338 -10.024 1.00 0.00 N ATOM 0 H HIS A 73 3.110 -2.268 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 73 1.026 -0.462 -6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.309 -3.000 -7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.291 -2.588 -7.191 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.034 -1.933 -9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.137 0.112 -8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.319 -0.116 -11.550 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.419 -1.755 -4.530 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.042 -2.307 -3.332 1.00 0.00 C ATOM 1082 C PHE A 74 -2.556 -2.400 -3.500 1.00 0.00 C ATOM 1083 O PHE A 74 -3.128 -1.796 -4.406 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.704 -1.447 -2.113 1.00 0.00 C ATOM 1085 CG PHE A 74 0.752 -1.471 -1.747 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.322 -2.604 -1.188 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.553 -0.361 -1.963 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.661 -2.628 -0.849 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.894 -0.379 -1.628 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.449 -1.515 -1.071 1.00 0.00 C ATOM 0 H PHE A 74 -0.965 -1.029 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.649 -3.312 -3.178 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.004 -0.418 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.290 -1.792 -1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.712 -3.478 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.124 0.529 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.092 -3.516 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.507 0.493 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.497 -1.533 -0.810 1.00 0.00 H new ATOM 1100 N MET A 75 -3.196 -3.164 -2.620 1.00 0.00 N ATOM 1101 CA MET A 75 -4.643 -3.336 -2.670 1.00 0.00 C ATOM 1102 C MET A 75 -5.264 -3.119 -1.293 1.00 0.00 C ATOM 1103 O MET A 75 -4.832 -3.717 -0.307 1.00 0.00 O ATOM 1104 CB MET A 75 -4.995 -4.731 -3.187 1.00 0.00 C ATOM 1105 CG MET A 75 -6.410 -5.169 -2.842 1.00 0.00 C ATOM 1106 SD MET A 75 -7.662 -4.060 -3.515 1.00 0.00 S ATOM 1107 CE MET A 75 -7.812 -4.691 -5.185 1.00 0.00 C ATOM 0 H MET A 75 -2.736 -3.673 -1.865 1.00 0.00 H new ATOM 0 HA MET A 75 -5.049 -2.591 -3.354 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.872 -4.750 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.289 -5.451 -2.773 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.578 -6.176 -3.224 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.517 -5.218 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.762 -4.369 -5.612 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.993 -4.308 -5.794 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.773 -5.780 -5.167 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.278 -2.262 -1.234 1.00 0.00 N ATOM 1118 CA ILE A 76 -6.957 -1.969 0.022 1.00 0.00 C ATOM 1119 C ILE A 76 -8.289 -2.706 0.111 1.00 0.00 C ATOM 1120 O ILE A 76 -9.095 -2.672 -0.820 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.207 -0.458 0.188 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.378 -0.107 1.667 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.433 -0.035 -0.607 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.069 0.156 2.380 1.00 0.00 C ATOM 0 H ILE A 76 -6.647 -1.759 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.301 -2.310 0.823 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.343 0.083 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.013 0.775 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.898 -0.923 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.597 1.035 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.276 -0.255 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.305 -0.581 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.266 0.399 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.440 -0.733 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.557 0.992 1.904 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.516 -3.371 1.239 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.753 -4.116 1.452 1.00 0.00 C ATOM 1138 C LEU A 77 -10.405 -3.723 2.773 1.00 0.00 C ATOM 1139 O LEU A 77 -9.829 -3.921 3.843 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.474 -5.620 1.436 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.652 -6.139 0.255 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.248 -7.588 0.480 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.433 -5.996 -1.043 1.00 0.00 C ATOM 0 H LEU A 77 -7.861 -3.410 2.020 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.440 -3.871 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.954 -5.882 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.428 -6.146 1.447 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.745 -5.539 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.664 -7.939 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.648 -7.662 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.142 -8.203 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.832 -6.370 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.357 -6.570 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.669 -4.945 -1.212 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.608 -3.165 2.690 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.339 -2.746 3.881 1.00 0.00 C ATOM 1157 C GLU A 78 -12.800 -3.954 4.690 1.00 0.00 C ATOM 1158 O GLU A 78 -12.625 -5.100 4.274 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.545 -1.888 3.491 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.184 -0.682 2.640 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.300 -0.278 1.696 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.469 -0.262 2.135 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.006 0.021 0.520 1.00 0.00 O ATOM 0 H GLU A 78 -12.097 -2.992 1.812 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.665 -2.153 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.259 -2.506 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.045 -1.546 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.942 0.158 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.287 -0.905 2.062 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.392 -3.690 5.851 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.880 -4.754 6.720 1.00 0.00 C ATOM 1172 C LYS A 79 -14.960 -5.573 6.022 1.00 0.00 C ATOM 1173 O LYS A 79 -16.139 -5.224 6.059 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.432 -4.165 8.021 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.051 -5.200 8.943 1.00 0.00 C ATOM 1176 CD LYS A 79 -14.932 -4.791 10.401 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.568 -3.433 10.652 1.00 0.00 C ATOM 1178 NZ LYS A 79 -16.055 -3.299 12.052 1.00 0.00 N ATOM 0 H LYS A 79 -13.545 -2.748 6.211 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.043 -5.412 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.626 -3.655 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.182 -3.411 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.102 -5.335 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.561 -6.162 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.411 -5.541 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.881 -4.760 10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.841 -2.648 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.400 -3.289 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.482 -2.360 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.767 -4.032 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.257 -3.411 12.709 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.550 -6.668 5.388 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.496 -7.521 4.693 1.00 0.00 C ATOM 1194 C GLY A 80 -15.239 -7.574 3.199 1.00 0.00 C ATOM 1195 O GLY A 80 -16.178 -7.589 2.403 1.00 0.00 O ATOM 0 H GLY A 80 -13.580 -6.979 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.442 -8.529 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.508 -7.158 4.872 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.966 -7.602 2.820 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.590 -7.652 1.412 1.00 0.00 C ATOM 1201 C GLN A 81 -12.329 -8.488 1.214 1.00 0.00 C ATOM 1202 O GLN A 81 -11.518 -8.633 2.129 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.368 -6.238 0.871 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.622 -5.379 0.882 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.623 -4.335 -0.217 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.176 -4.553 -1.296 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.003 -3.192 0.052 1.00 0.00 N ATOM 0 H GLN A 81 -13.178 -7.591 3.467 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.405 -8.121 0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.597 -5.748 1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.991 -6.303 -0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.497 -6.019 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.710 -4.884 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.558 -3.054 0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.972 -2.452 -0.649 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.172 -9.037 0.015 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.010 -9.858 -0.304 1.00 0.00 C ATOM 1218 C LYS A 82 -10.304 -9.340 -1.553 1.00 0.00 C ATOM 1219 O LYS A 82 -10.840 -8.501 -2.277 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.432 -11.315 -0.512 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.417 -11.507 -1.651 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.554 -12.973 -2.028 1.00 0.00 C ATOM 1223 CE LYS A 82 -11.395 -13.436 -2.897 1.00 0.00 C ATOM 1224 NZ LYS A 82 -11.308 -14.921 -2.962 1.00 0.00 N ATOM 0 H LYS A 82 -12.835 -8.928 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.315 -9.802 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.544 -11.917 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.877 -11.690 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.391 -11.112 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.087 -10.936 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.597 -13.580 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.493 -13.127 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.513 -13.035 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.462 -13.035 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.505 -15.196 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.170 -15.303 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.188 -15.303 -3.363 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.101 -9.846 -1.800 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.323 -9.435 -2.963 1.00 0.00 C ATOM 1240 C TRP A 83 -8.748 -10.210 -4.205 1.00 0.00 C ATOM 1241 O TRP A 83 -9.303 -11.304 -4.104 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.830 -9.643 -2.703 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.003 -9.645 -3.953 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.262 -8.610 -4.447 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.838 -10.733 -4.868 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.645 -8.989 -5.615 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.980 -10.287 -5.894 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.326 -12.042 -4.920 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.606 -11.104 -6.957 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.953 -12.851 -5.976 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.099 -12.380 -6.983 1.00 0.00 C ATOM 0 H TRP A 83 -8.643 -10.541 -1.211 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.510 -8.376 -3.138 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.471 -8.856 -2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.688 -10.589 -2.181 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.174 -7.637 -3.987 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.036 -8.399 -6.182 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.983 -12.414 -4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.949 -10.743 -7.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.326 -13.863 -6.027 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.825 -13.037 -7.795 1.00 0.00 H new ATOM 1262 N MET A 84 -8.484 -9.637 -5.374 1.00 0.00 N ATOM 1263 CA MET A 84 -8.839 -10.277 -6.636 1.00 0.00 C ATOM 1264 C MET A 84 -7.768 -10.027 -7.692 1.00 0.00 C ATOM 1265 O MET A 84 -7.165 -8.955 -7.758 1.00 0.00 O ATOM 1266 CB MET A 84 -10.192 -9.761 -7.132 1.00 0.00 C ATOM 1267 CG MET A 84 -11.331 -10.012 -6.158 1.00 0.00 C ATOM 1268 SD MET A 84 -12.935 -10.104 -6.976 1.00 0.00 S ATOM 1269 CE MET A 84 -12.805 -11.690 -7.798 1.00 0.00 C ATOM 0 H MET A 84 -8.026 -8.731 -5.474 1.00 0.00 H new ATOM 0 HA MET A 84 -8.910 -11.351 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.116 -8.690 -7.322 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.427 -10.238 -8.084 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.147 -10.943 -5.622 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.351 -9.215 -5.415 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.789 -11.998 -8.153 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.124 -11.606 -8.645 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.424 -12.433 -7.097 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.524 -11.037 -8.540 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.525 -10.951 -9.609 1.00 0.00 C ATOM 1281 C PRO A 85 -6.945 -9.992 -10.718 1.00 0.00 C ATOM 1282 O PRO A 85 -8.010 -9.378 -10.652 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.449 -12.383 -10.142 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.773 -12.981 -9.812 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.206 -12.342 -8.520 1.00 0.00 C ATOM 0 HA PRO A 85 -5.572 -10.567 -9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.265 -12.396 -11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.636 -12.937 -9.673 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.496 -12.789 -10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.697 -14.063 -9.706 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.289 -12.229 -8.471 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.908 -12.938 -7.657 1.00 0.00 H new ATOM 1293 N SER A 86 -6.101 -9.868 -11.738 1.00 0.00 N ATOM 1294 CA SER A 86 -6.384 -8.982 -12.860 1.00 0.00 C ATOM 1295 C SER A 86 -6.789 -9.780 -14.095 1.00 0.00 C ATOM 1296 O SER A 86 -6.720 -11.009 -14.104 1.00 0.00 O ATOM 1297 CB SER A 86 -5.160 -8.119 -13.176 1.00 0.00 C ATOM 1298 OG SER A 86 -4.007 -8.920 -13.371 1.00 0.00 O ATOM 0 H SER A 86 -5.216 -10.370 -11.810 1.00 0.00 H new ATOM 0 HA SER A 86 -7.215 -8.335 -12.579 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.350 -7.526 -14.071 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.985 -7.417 -12.360 1.00 0.00 H new ATOM 0 HG SER A 86 -3.240 -8.345 -13.573 1.00 0.00 H new ATOM 1304 N GLY A 87 -7.213 -9.072 -15.138 1.00 0.00 N ATOM 1305 CA GLY A 87 -7.624 -9.731 -16.364 1.00 0.00 C ATOM 1306 C GLY A 87 -9.037 -9.364 -16.773 1.00 0.00 C ATOM 1307 O GLY A 87 -9.707 -8.564 -16.121 1.00 0.00 O ATOM 0 H GLY A 87 -7.279 -8.054 -15.156 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.936 -9.463 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.556 -10.811 -16.233 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.510 -9.958 -17.879 1.00 0.00 N ATOM 1312 CA PRO A 88 -10.856 -9.704 -18.400 1.00 0.00 C ATOM 1313 C PRO A 88 -11.944 -10.287 -17.504 1.00 0.00 C ATOM 1314 O PRO A 88 -12.899 -9.600 -17.143 1.00 0.00 O ATOM 1315 CB PRO A 88 -10.849 -10.407 -19.759 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.818 -11.474 -19.628 1.00 0.00 C ATOM 1317 CD PRO A 88 -8.766 -10.923 -18.706 1.00 0.00 C ATOM 0 HA PRO A 88 -11.076 -8.638 -18.458 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.827 -10.828 -19.992 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.601 -9.713 -20.562 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.252 -12.388 -19.223 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.392 -11.726 -20.599 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.313 -11.707 -18.099 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.960 -10.441 -19.259 1.00 0.00 H new ATOM 1325 N SER A 89 -11.792 -11.559 -17.148 1.00 0.00 N ATOM 1326 CA SER A 89 -12.764 -12.236 -16.297 1.00 0.00 C ATOM 1327 C SER A 89 -12.065 -12.987 -15.167 1.00 0.00 C ATOM 1328 O SER A 89 -11.751 -14.170 -15.296 1.00 0.00 O ATOM 1329 CB SER A 89 -13.609 -13.206 -17.123 1.00 0.00 C ATOM 1330 OG SER A 89 -14.754 -12.560 -17.653 1.00 0.00 O ATOM 0 H SER A 89 -11.005 -12.141 -17.436 1.00 0.00 H new ATOM 0 HA SER A 89 -13.416 -11.480 -15.860 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.009 -13.615 -17.936 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.917 -14.046 -16.501 1.00 0.00 H new ATOM 0 HG SER A 89 -15.277 -13.201 -18.179 1.00 0.00 H new ATOM 1336 N SER A 90 -11.826 -12.291 -14.061 1.00 0.00 N ATOM 1337 CA SER A 90 -11.162 -12.890 -12.909 1.00 0.00 C ATOM 1338 C SER A 90 -11.891 -14.151 -12.456 1.00 0.00 C ATOM 1339 O SER A 90 -13.029 -14.400 -12.854 1.00 0.00 O ATOM 1340 CB SER A 90 -11.090 -11.886 -11.756 1.00 0.00 C ATOM 1341 OG SER A 90 -12.386 -11.471 -11.361 1.00 0.00 O ATOM 0 H SER A 90 -12.082 -11.311 -13.938 1.00 0.00 H new ATOM 0 HA SER A 90 -10.150 -13.164 -13.206 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.575 -12.337 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.504 -11.019 -12.060 1.00 0.00 H new ATOM 0 HG SER A 90 -12.314 -10.831 -10.622 1.00 0.00 H new ATOM 1347 N GLY A 91 -11.228 -14.943 -11.620 1.00 0.00 N ATOM 1348 CA GLY A 91 -11.827 -16.168 -11.126 1.00 0.00 C ATOM 1349 C GLY A 91 -12.701 -16.846 -12.164 1.00 0.00 C ATOM 1350 O GLY A 91 -12.593 -18.052 -12.384 1.00 0.00 O ATOM 0 H GLY A 91 -10.286 -14.758 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.039 -16.854 -10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.424 -15.946 -10.242 1.00 0.00 H new TER 1354 GLY A 91