USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 6 HIS : no HD1:sc= 0.252 K(o=0.52,f=0) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -122:sc= 0.268 (180deg=0) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0123) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-1) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-1.5) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.18) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 166:sc= -0.316 (180deg=-1.08) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.672 32.077 -3.798 1.00 0.00 N ATOM 2 CA MET A 1 9.201 31.178 -4.899 1.00 0.00 C ATOM 3 C MET A 1 7.975 31.775 -5.615 1.00 0.00 C ATOM 4 O MET A 1 6.952 32.013 -4.973 1.00 0.00 O ATOM 5 CB MET A 1 8.903 29.751 -4.365 1.00 0.00 C ATOM 6 CG MET A 1 8.527 28.735 -5.463 1.00 0.00 C ATOM 7 SD MET A 1 8.077 27.078 -4.865 1.00 0.00 S ATOM 8 CE MET A 1 9.683 26.465 -4.276 1.00 0.00 C ATOM 0 H1 MET A 1 10.499 31.651 -3.332 1.00 0.00 H new ATOM 0 H2 MET A 1 9.936 33.002 -4.194 1.00 0.00 H new ATOM 0 H3 MET A 1 8.909 32.203 -3.102 1.00 0.00 H new ATOM 0 HA MET A 1 10.004 31.096 -5.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.779 29.384 -3.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.089 29.807 -3.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.691 29.136 -6.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.368 28.640 -6.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.571 25.443 -3.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.402 26.482 -5.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.041 27.101 -3.466 1.00 0.00 H new ATOM 20 N ARG A 2 8.053 31.998 -6.939 1.00 0.00 N ATOM 21 CA ARG A 2 6.901 32.442 -7.770 1.00 0.00 C ATOM 22 C ARG A 2 6.015 31.275 -8.239 1.00 0.00 C ATOM 23 O ARG A 2 4.799 31.432 -8.333 1.00 0.00 O ATOM 24 CB ARG A 2 7.389 33.256 -8.989 1.00 0.00 C ATOM 25 CG ARG A 2 7.645 34.746 -8.707 1.00 0.00 C ATOM 26 CD ARG A 2 8.838 35.023 -7.783 1.00 0.00 C ATOM 27 NE ARG A 2 9.071 36.474 -7.627 1.00 0.00 N ATOM 28 CZ ARG A 2 9.789 37.269 -8.404 1.00 0.00 C ATOM 29 NH1 ARG A 2 10.407 36.837 -9.469 1.00 0.00 N ATOM 30 NH2 ARG A 2 9.899 38.536 -8.121 1.00 0.00 N ATOM 0 H ARG A 2 8.915 31.877 -7.471 1.00 0.00 H new ATOM 0 HA ARG A 2 6.287 33.075 -7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.310 32.808 -9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.648 33.173 -9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.809 35.259 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.749 35.178 -8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.656 34.575 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.732 34.550 -8.189 1.00 0.00 H new ATOM 0 HE ARG A 2 8.625 36.916 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.347 35.853 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.950 37.484 -10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.431 38.917 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.453 39.146 -8.722 1.00 0.00 H new ATOM 44 N GLY A 3 6.625 30.117 -8.512 1.00 0.00 N ATOM 45 CA GLY A 3 5.964 28.933 -9.081 1.00 0.00 C ATOM 46 C GLY A 3 5.692 29.045 -10.591 1.00 0.00 C ATOM 47 O GLY A 3 5.745 30.133 -11.172 1.00 0.00 O ATOM 0 H GLY A 3 7.620 29.971 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.585 28.057 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.020 28.770 -8.561 1.00 0.00 H new ATOM 51 N SER A 4 5.439 27.902 -11.240 1.00 0.00 N ATOM 52 CA SER A 4 5.202 27.804 -12.692 1.00 0.00 C ATOM 53 C SER A 4 4.408 26.540 -13.076 1.00 0.00 C ATOM 54 O SER A 4 4.129 25.690 -12.228 1.00 0.00 O ATOM 55 CB SER A 4 6.553 27.831 -13.431 1.00 0.00 C ATOM 56 OG SER A 4 6.363 28.183 -14.795 1.00 0.00 O ATOM 0 H SER A 4 5.392 27.001 -10.765 1.00 0.00 H new ATOM 0 HA SER A 4 4.595 28.659 -12.989 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.222 28.547 -12.954 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.031 26.854 -13.364 1.00 0.00 H new ATOM 0 HG SER A 4 7.229 28.198 -15.253 1.00 0.00 H new ATOM 62 N HIS A 5 4.078 26.428 -14.370 1.00 0.00 N ATOM 63 CA HIS A 5 3.378 25.326 -15.056 1.00 0.00 C ATOM 64 C HIS A 5 1.980 24.992 -14.501 1.00 0.00 C ATOM 65 O HIS A 5 1.838 24.416 -13.421 1.00 0.00 O ATOM 66 CB HIS A 5 4.289 24.085 -15.135 1.00 0.00 C ATOM 67 CG HIS A 5 5.635 24.340 -15.776 1.00 0.00 C ATOM 68 ND1 HIS A 5 6.871 24.296 -15.119 1.00 0.00 N ATOM 69 CD2 HIS A 5 5.845 24.642 -17.091 1.00 0.00 C ATOM 70 CE1 HIS A 5 7.794 24.582 -16.053 1.00 0.00 C ATOM 71 NE2 HIS A 5 7.207 24.792 -17.245 1.00 0.00 N ATOM 0 H HIS A 5 4.315 27.173 -15.025 1.00 0.00 H new ATOM 0 HA HIS A 5 3.172 25.684 -16.065 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.447 23.700 -14.128 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.774 23.306 -15.697 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.093 24.743 -17.859 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.857 24.636 -15.872 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.688 25.023 -18.115 1.00 0.00 H new ATOM 79 N HIS A 6 0.935 25.286 -15.282 1.00 0.00 N ATOM 80 CA HIS A 6 -0.467 24.963 -14.970 1.00 0.00 C ATOM 81 C HIS A 6 -1.221 24.432 -16.204 1.00 0.00 C ATOM 82 O HIS A 6 -0.929 24.813 -17.339 1.00 0.00 O ATOM 83 CB HIS A 6 -1.160 26.185 -14.343 1.00 0.00 C ATOM 84 CG HIS A 6 -1.360 27.363 -15.268 1.00 0.00 C ATOM 85 ND1 HIS A 6 -2.585 27.757 -15.818 1.00 0.00 N ATOM 86 CD2 HIS A 6 -0.394 28.240 -15.670 1.00 0.00 C ATOM 87 CE1 HIS A 6 -2.321 28.840 -16.569 1.00 0.00 C ATOM 88 NE2 HIS A 6 -1.017 29.155 -16.493 1.00 0.00 N ATOM 0 H HIS A 6 1.041 25.769 -16.174 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.482 24.155 -14.239 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.133 25.874 -13.963 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -0.573 26.514 -13.485 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.651 28.221 -15.398 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.053 29.380 -17.151 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -0.564 29.938 -16.964 1.00 0.00 H new ATOM 96 N HIS A 7 -2.170 23.518 -15.974 1.00 0.00 N ATOM 97 CA HIS A 7 -2.946 22.801 -17.001 1.00 0.00 C ATOM 98 C HIS A 7 -4.304 22.318 -16.446 1.00 0.00 C ATOM 99 O HIS A 7 -4.679 22.661 -15.320 1.00 0.00 O ATOM 100 CB HIS A 7 -2.090 21.630 -17.534 1.00 0.00 C ATOM 101 CG HIS A 7 -1.686 20.603 -16.498 1.00 0.00 C ATOM 102 ND1 HIS A 7 -2.551 19.917 -15.642 1.00 0.00 N ATOM 103 CD2 HIS A 7 -0.412 20.154 -16.285 1.00 0.00 C ATOM 104 CE1 HIS A 7 -1.784 19.069 -14.938 1.00 0.00 C ATOM 105 NE2 HIS A 7 -0.493 19.193 -15.301 1.00 0.00 N ATOM 0 H HIS A 7 -2.432 23.243 -15.027 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.179 23.477 -17.824 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.645 21.126 -18.325 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.187 22.038 -17.989 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.483 20.488 -16.790 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.150 18.385 -14.187 1.00 0.00 H new ATOM 0 HE2 HIS A 7 0.290 18.666 -14.914 1.00 0.00 H new ATOM 113 N HIS A 8 -5.057 21.535 -17.231 1.00 0.00 N ATOM 114 CA HIS A 8 -6.291 20.871 -16.795 1.00 0.00 C ATOM 115 C HIS A 8 -6.439 19.448 -17.357 1.00 0.00 C ATOM 116 O HIS A 8 -6.064 19.169 -18.499 1.00 0.00 O ATOM 117 CB HIS A 8 -7.516 21.740 -17.131 1.00 0.00 C ATOM 118 CG HIS A 8 -7.737 21.975 -18.610 1.00 0.00 C ATOM 119 ND1 HIS A 8 -7.137 22.983 -19.376 1.00 0.00 N ATOM 120 CD2 HIS A 8 -8.568 21.248 -19.414 1.00 0.00 C ATOM 121 CE1 HIS A 8 -7.615 22.831 -20.624 1.00 0.00 C ATOM 122 NE2 HIS A 8 -8.475 21.799 -20.674 1.00 0.00 N ATOM 0 H HIS A 8 -4.820 21.343 -18.204 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.228 20.759 -15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.405 21.267 -16.715 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.407 22.705 -16.636 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.178 20.407 -19.120 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.346 23.450 -21.467 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.974 21.478 -21.504 1.00 0.00 H new ATOM 130 N HIS A 9 -7.031 18.558 -16.551 1.00 0.00 N ATOM 131 CA HIS A 9 -7.330 17.150 -16.860 1.00 0.00 C ATOM 132 C HIS A 9 -8.679 16.717 -16.247 1.00 0.00 C ATOM 133 O HIS A 9 -9.267 17.449 -15.444 1.00 0.00 O ATOM 134 CB HIS A 9 -6.195 16.250 -16.316 1.00 0.00 C ATOM 135 CG HIS A 9 -4.853 16.398 -16.997 1.00 0.00 C ATOM 136 ND1 HIS A 9 -3.627 16.539 -16.339 1.00 0.00 N ATOM 137 CD2 HIS A 9 -4.625 16.335 -18.343 1.00 0.00 C ATOM 138 CE1 HIS A 9 -2.694 16.599 -17.308 1.00 0.00 C ATOM 139 NE2 HIS A 9 -3.265 16.474 -18.520 1.00 0.00 N ATOM 0 H HIS A 9 -7.332 18.814 -15.611 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.401 17.044 -17.942 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.067 16.461 -15.254 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.510 15.210 -16.399 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.366 16.202 -19.117 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.636 16.729 -17.136 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.776 16.481 -19.415 1.00 0.00 H new ATOM 147 N HIS A 10 -9.126 15.497 -16.581 1.00 0.00 N ATOM 148 CA HIS A 10 -10.309 14.811 -16.016 1.00 0.00 C ATOM 149 C HIS A 10 -11.660 15.505 -16.309 1.00 0.00 C ATOM 150 O HIS A 10 -11.726 16.509 -17.024 1.00 0.00 O ATOM 151 CB HIS A 10 -10.079 14.530 -14.514 1.00 0.00 C ATOM 152 CG HIS A 10 -8.696 14.009 -14.190 1.00 0.00 C ATOM 153 ND1 HIS A 10 -8.185 12.766 -14.569 1.00 0.00 N ATOM 154 CD2 HIS A 10 -7.722 14.708 -13.538 1.00 0.00 C ATOM 155 CE1 HIS A 10 -6.913 12.744 -14.135 1.00 0.00 C ATOM 156 NE2 HIS A 10 -6.608 13.897 -13.510 1.00 0.00 N ATOM 0 H HIS A 10 -8.653 14.931 -17.286 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.407 13.859 -16.538 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -10.251 15.448 -13.953 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -10.818 13.805 -14.173 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.807 15.702 -13.125 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.231 11.917 -14.269 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.709 14.130 -13.089 1.00 0.00 H new ATOM 164 N GLY A 11 -12.759 14.935 -15.799 1.00 0.00 N ATOM 165 CA GLY A 11 -14.122 15.438 -16.011 1.00 0.00 C ATOM 166 C GLY A 11 -15.198 14.706 -15.199 1.00 0.00 C ATOM 167 O GLY A 11 -14.909 13.785 -14.429 1.00 0.00 O ATOM 0 H GLY A 11 -12.725 14.097 -15.218 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.149 16.498 -15.757 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.366 15.358 -17.070 1.00 0.00 H new ATOM 171 N SER A 12 -16.454 15.127 -15.371 1.00 0.00 N ATOM 172 CA SER A 12 -17.631 14.549 -14.700 1.00 0.00 C ATOM 173 C SER A 12 -17.935 13.108 -15.148 1.00 0.00 C ATOM 174 O SER A 12 -17.581 12.681 -16.251 1.00 0.00 O ATOM 175 CB SER A 12 -18.854 15.460 -14.894 1.00 0.00 C ATOM 176 OG SER A 12 -19.123 15.680 -16.273 1.00 0.00 O ATOM 0 H SER A 12 -16.691 15.898 -15.995 1.00 0.00 H new ATOM 0 HA SER A 12 -17.395 14.489 -13.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 -19.725 15.008 -14.419 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.680 16.415 -14.399 1.00 0.00 H new ATOM 0 HG SER A 12 -19.907 16.261 -16.365 1.00 0.00 H new ATOM 182 N GLY A 58 -18.564 12.328 -14.258 1.00 0.00 N ATOM 183 CA GLY A 58 -18.889 10.906 -14.468 1.00 0.00 C ATOM 184 C GLY A 58 -17.723 9.923 -14.256 1.00 0.00 C ATOM 185 O GLY A 58 -17.957 8.714 -14.168 1.00 0.00 O ATOM 0 H GLY A 58 -18.869 12.675 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.700 10.633 -13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -19.265 10.783 -15.484 1.00 0.00 H new ATOM 189 N ALA A 59 -16.486 10.422 -14.132 1.00 0.00 N ATOM 190 CA ALA A 59 -15.261 9.649 -13.894 1.00 0.00 C ATOM 191 C ALA A 59 -14.380 10.235 -12.759 1.00 0.00 C ATOM 192 O ALA A 59 -13.183 9.945 -12.668 1.00 0.00 O ATOM 193 CB ALA A 59 -14.518 9.510 -15.229 1.00 0.00 C ATOM 0 H ALA A 59 -16.304 11.423 -14.198 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.526 8.657 -13.527 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -13.602 8.938 -15.078 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -15.154 8.993 -15.947 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -14.269 10.500 -15.611 1.00 0.00 H new ATOM 199 N LEU A 60 -14.962 11.084 -11.899 1.00 0.00 N ATOM 200 CA LEU A 60 -14.280 11.768 -10.793 1.00 0.00 C ATOM 201 C LEU A 60 -14.056 10.832 -9.582 1.00 0.00 C ATOM 202 O LEU A 60 -14.636 9.747 -9.494 1.00 0.00 O ATOM 203 CB LEU A 60 -15.067 13.063 -10.464 1.00 0.00 C ATOM 204 CG LEU A 60 -14.193 14.336 -10.408 1.00 0.00 C ATOM 205 CD1 LEU A 60 -14.943 15.539 -10.983 1.00 0.00 C ATOM 206 CD2 LEU A 60 -13.794 14.705 -8.975 1.00 0.00 C ATOM 0 H LEU A 60 -15.953 11.320 -11.957 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.271 12.056 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.845 13.203 -11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.568 12.937 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.302 14.108 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.307 16.423 -10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.207 15.341 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.851 15.712 -10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.181 15.606 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.691 14.885 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.226 13.886 -8.533 1.00 0.00 H new ATOM 218 N ALA A 61 -13.186 11.246 -8.656 1.00 0.00 N ATOM 219 CA ALA A 61 -12.702 10.432 -7.537 1.00 0.00 C ATOM 220 C ALA A 61 -13.805 9.869 -6.618 1.00 0.00 C ATOM 221 O ALA A 61 -14.783 10.553 -6.307 1.00 0.00 O ATOM 222 CB ALA A 61 -11.746 11.274 -6.691 1.00 0.00 C ATOM 0 H ALA A 61 -12.787 12.185 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.212 9.568 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.379 10.678 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.904 11.595 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.272 12.149 -6.310 1.00 0.00 H new ATOM 228 N ALA A 62 -13.568 8.659 -6.103 1.00 0.00 N ATOM 229 CA ALA A 62 -14.361 8.005 -5.067 1.00 0.00 C ATOM 230 C ALA A 62 -13.585 7.732 -3.769 1.00 0.00 C ATOM 231 O ALA A 62 -12.363 7.573 -3.775 1.00 0.00 O ATOM 232 CB ALA A 62 -14.957 6.711 -5.638 1.00 0.00 C ATOM 0 H ALA A 62 -12.783 8.086 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.156 8.694 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.552 6.215 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.592 6.948 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.152 6.049 -5.957 1.00 0.00 H new ATOM 238 N LEU A 63 -14.322 7.648 -2.654 1.00 0.00 N ATOM 239 CA LEU A 63 -13.799 7.410 -1.304 1.00 0.00 C ATOM 240 C LEU A 63 -14.409 6.151 -0.668 1.00 0.00 C ATOM 241 O LEU A 63 -15.578 5.824 -0.897 1.00 0.00 O ATOM 242 CB LEU A 63 -14.080 8.629 -0.401 1.00 0.00 C ATOM 243 CG LEU A 63 -13.536 9.984 -0.887 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.930 11.082 0.098 1.00 0.00 C ATOM 245 CD2 LEU A 63 -12.015 9.981 -1.009 1.00 0.00 C ATOM 0 H LEU A 63 -15.337 7.748 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.724 7.257 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.159 8.720 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.661 8.427 0.585 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.967 10.167 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.543 12.039 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.016 11.134 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.513 10.857 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.676 10.957 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.572 9.767 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.709 9.217 -1.723 1.00 0.00 H new ATOM 257 N HIS A 64 -13.638 5.488 0.196 1.00 0.00 N ATOM 258 CA HIS A 64 -14.146 4.501 1.157 1.00 0.00 C ATOM 259 C HIS A 64 -15.003 5.188 2.231 1.00 0.00 C ATOM 260 O HIS A 64 -14.653 6.275 2.701 1.00 0.00 O ATOM 261 CB HIS A 64 -12.960 3.782 1.813 1.00 0.00 C ATOM 262 CG HIS A 64 -12.201 2.838 0.916 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.696 1.633 0.415 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.887 2.964 0.563 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.666 1.063 -0.233 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.571 1.838 -0.165 1.00 0.00 N ATOM 0 H HIS A 64 -12.628 5.622 0.250 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.770 3.778 0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.267 4.532 2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.327 3.223 2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.227 3.784 0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.712 0.111 -0.740 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.663 1.629 -0.580 1.00 0.00 H new ATOM 274 N ALA A 65 -16.103 4.556 2.651 1.00 0.00 N ATOM 275 CA ALA A 65 -17.089 5.162 3.559 1.00 0.00 C ATOM 276 C ALA A 65 -17.025 4.658 5.020 1.00 0.00 C ATOM 277 O ALA A 65 -17.584 5.300 5.910 1.00 0.00 O ATOM 278 CB ALA A 65 -18.478 4.934 2.947 1.00 0.00 C ATOM 0 H ALA A 65 -16.338 3.604 2.371 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.857 6.224 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.237 5.371 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.524 5.404 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.660 3.864 2.846 1.00 0.00 H new ATOM 284 N GLU A 66 -16.364 3.521 5.280 1.00 0.00 N ATOM 285 CA GLU A 66 -16.380 2.820 6.579 1.00 0.00 C ATOM 286 C GLU A 66 -14.994 2.272 6.982 1.00 0.00 C ATOM 287 O GLU A 66 -14.113 2.073 6.141 1.00 0.00 O ATOM 288 CB GLU A 66 -17.405 1.667 6.540 1.00 0.00 C ATOM 289 CG GLU A 66 -18.855 2.139 6.371 1.00 0.00 C ATOM 290 CD GLU A 66 -19.834 0.956 6.479 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.147 0.317 5.443 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.308 0.652 7.603 1.00 0.00 O ATOM 0 H GLU A 66 -15.790 3.050 4.580 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.666 3.554 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.153 0.995 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.325 1.090 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.091 2.882 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.973 2.626 5.403 1.00 0.00 H new ATOM 299 N GLY A 67 -14.814 2.004 8.283 1.00 0.00 N ATOM 300 CA GLY A 67 -13.584 1.424 8.847 1.00 0.00 C ATOM 301 C GLY A 67 -12.374 2.378 8.852 1.00 0.00 C ATOM 302 O GLY A 67 -12.536 3.588 8.654 1.00 0.00 O ATOM 0 H GLY A 67 -15.530 2.187 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.783 1.105 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.324 0.531 8.279 1.00 0.00 H new ATOM 306 N PRO A 68 -11.140 1.862 9.043 1.00 0.00 N ATOM 307 CA PRO A 68 -9.913 2.678 9.073 1.00 0.00 C ATOM 308 C PRO A 68 -9.654 3.464 7.776 1.00 0.00 C ATOM 309 O PRO A 68 -8.977 4.495 7.790 1.00 0.00 O ATOM 310 CB PRO A 68 -8.773 1.683 9.333 1.00 0.00 C ATOM 311 CG PRO A 68 -9.335 0.330 8.905 1.00 0.00 C ATOM 312 CD PRO A 68 -10.816 0.454 9.240 1.00 0.00 C ATOM 0 HA PRO A 68 -10.000 3.445 9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.883 1.942 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.484 1.677 10.384 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.175 0.144 7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.866 -0.492 9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.420 -0.182 8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.014 0.145 10.266 1.00 0.00 H new ATOM 320 N LEU A 69 -10.208 2.987 6.657 1.00 0.00 N ATOM 321 CA LEU A 69 -10.111 3.594 5.329 1.00 0.00 C ATOM 322 C LEU A 69 -11.154 4.700 5.076 1.00 0.00 C ATOM 323 O LEU A 69 -11.071 5.374 4.050 1.00 0.00 O ATOM 324 CB LEU A 69 -10.162 2.449 4.289 1.00 0.00 C ATOM 325 CG LEU A 69 -8.793 2.008 3.734 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.752 1.743 4.824 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.936 0.709 2.940 1.00 0.00 C ATOM 0 H LEU A 69 -10.760 2.129 6.654 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.164 4.127 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.647 1.586 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.790 2.764 3.456 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.454 2.836 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.813 1.437 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.592 2.652 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.108 0.951 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.962 0.409 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.325 -0.074 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.623 0.865 2.109 1.00 0.00 H new ATOM 339 N ALA A 70 -12.112 4.934 5.985 1.00 0.00 N ATOM 340 CA ALA A 70 -13.144 5.957 5.812 1.00 0.00 C ATOM 341 C ALA A 70 -12.539 7.342 5.485 1.00 0.00 C ATOM 342 O ALA A 70 -11.678 7.850 6.212 1.00 0.00 O ATOM 343 CB ALA A 70 -14.022 6.020 7.068 1.00 0.00 C ATOM 0 H ALA A 70 -12.190 4.417 6.861 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.761 5.677 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.790 6.782 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.496 5.052 7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.405 6.271 7.931 1.00 0.00 H new ATOM 349 N GLY A 71 -12.997 7.948 4.384 1.00 0.00 N ATOM 350 CA GLY A 71 -12.508 9.238 3.883 1.00 0.00 C ATOM 351 C GLY A 71 -11.340 9.175 2.897 1.00 0.00 C ATOM 352 O GLY A 71 -10.904 10.228 2.428 1.00 0.00 O ATOM 0 H GLY A 71 -13.734 7.547 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.337 9.756 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.205 9.845 4.736 1.00 0.00 H new ATOM 356 N LEU A 72 -10.821 7.984 2.580 1.00 0.00 N ATOM 357 CA LEU A 72 -9.627 7.803 1.744 1.00 0.00 C ATOM 358 C LEU A 72 -9.975 7.261 0.333 1.00 0.00 C ATOM 359 O LEU A 72 -10.994 6.580 0.195 1.00 0.00 O ATOM 360 CB LEU A 72 -8.653 6.884 2.501 1.00 0.00 C ATOM 361 CG LEU A 72 -8.287 7.269 3.949 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.179 6.336 4.441 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.794 8.711 4.087 1.00 0.00 C ATOM 0 H LEU A 72 -11.224 7.104 2.902 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.153 8.768 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.081 5.882 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.729 6.826 1.925 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.197 7.176 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.911 6.598 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.531 5.305 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.304 6.440 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.554 8.915 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.902 8.851 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.574 9.396 3.753 1.00 0.00 H new ATOM 375 N PRO A 73 -9.164 7.525 -0.717 1.00 0.00 N ATOM 376 CA PRO A 73 -9.408 7.058 -2.093 1.00 0.00 C ATOM 377 C PRO A 73 -9.539 5.535 -2.195 1.00 0.00 C ATOM 378 O PRO A 73 -8.825 4.796 -1.515 1.00 0.00 O ATOM 379 CB PRO A 73 -8.220 7.558 -2.929 1.00 0.00 C ATOM 380 CG PRO A 73 -7.122 7.789 -1.897 1.00 0.00 C ATOM 381 CD PRO A 73 -7.901 8.247 -0.670 1.00 0.00 C ATOM 0 HA PRO A 73 -10.359 7.450 -2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.919 6.823 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.465 8.475 -3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.555 6.879 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.409 8.544 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.355 8.023 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.064 9.325 -0.689 1.00 0.00 H new ATOM 389 N VAL A 74 -10.413 5.058 -3.084 1.00 0.00 N ATOM 390 CA VAL A 74 -10.598 3.615 -3.320 1.00 0.00 C ATOM 391 C VAL A 74 -9.482 3.042 -4.208 1.00 0.00 C ATOM 392 O VAL A 74 -9.012 1.928 -3.969 1.00 0.00 O ATOM 393 CB VAL A 74 -12.009 3.311 -3.873 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.253 1.808 -4.031 1.00 0.00 C ATOM 395 CG2 VAL A 74 -13.093 3.833 -2.923 1.00 0.00 C ATOM 0 H VAL A 74 -11.011 5.652 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.522 3.107 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.060 3.805 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.257 1.641 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.520 1.391 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.156 1.320 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.077 3.607 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.987 3.352 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.987 4.912 -2.808 1.00 0.00 H new ATOM 405 N THR A 75 -9.006 3.817 -5.190 1.00 0.00 N ATOM 406 CA THR A 75 -7.894 3.465 -6.094 1.00 0.00 C ATOM 407 C THR A 75 -6.973 4.659 -6.401 1.00 0.00 C ATOM 408 O THR A 75 -7.313 5.818 -6.146 1.00 0.00 O ATOM 409 CB THR A 75 -8.423 2.762 -7.357 1.00 0.00 C ATOM 410 OG1 THR A 75 -7.377 2.484 -8.264 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.454 3.608 -8.083 1.00 0.00 C ATOM 0 H THR A 75 -9.395 4.739 -5.387 1.00 0.00 H new ATOM 0 HA THR A 75 -7.256 2.751 -5.573 1.00 0.00 H new ATOM 0 HB THR A 75 -8.883 1.834 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.741 2.036 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.802 3.076 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.298 3.801 -7.420 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.003 4.554 -8.382 1.00 0.00 H new ATOM 419 N ARG A 76 -5.788 4.392 -6.970 1.00 0.00 N ATOM 420 CA ARG A 76 -4.779 5.400 -7.362 1.00 0.00 C ATOM 421 C ARG A 76 -5.317 6.450 -8.341 1.00 0.00 C ATOM 422 O ARG A 76 -4.913 7.605 -8.266 1.00 0.00 O ATOM 423 CB ARG A 76 -3.503 4.694 -7.879 1.00 0.00 C ATOM 424 CG ARG A 76 -3.716 3.818 -9.130 1.00 0.00 C ATOM 425 CD ARG A 76 -2.458 3.025 -9.511 1.00 0.00 C ATOM 426 NE ARG A 76 -1.394 3.879 -10.075 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.169 4.177 -11.339 1.00 0.00 C ATOM 428 NH1 ARG A 76 -1.979 3.830 -12.302 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.100 4.843 -11.655 1.00 0.00 N ATOM 0 H ARG A 76 -5.491 3.439 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.517 5.970 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.751 5.450 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.099 4.072 -7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.538 3.125 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.011 4.451 -9.967 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.076 2.512 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.724 2.257 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.750 4.291 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.828 3.306 -12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.763 4.083 -13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.556 5.130 -10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.084 5.079 -12.630 1.00 0.00 H new ATOM 443 N SER A 77 -6.302 6.092 -9.168 1.00 0.00 N ATOM 444 CA SER A 77 -7.035 7.049 -10.020 1.00 0.00 C ATOM 445 C SER A 77 -7.827 8.072 -9.186 1.00 0.00 C ATOM 446 O SER A 77 -7.752 9.276 -9.441 1.00 0.00 O ATOM 447 CB SER A 77 -7.961 6.284 -10.974 1.00 0.00 C ATOM 448 OG SER A 77 -8.565 7.174 -11.898 1.00 0.00 O ATOM 0 H SER A 77 -6.620 5.128 -9.271 1.00 0.00 H new ATOM 0 HA SER A 77 -6.307 7.614 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.393 5.524 -11.510 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.731 5.764 -10.404 1.00 0.00 H new ATOM 0 HG SER A 77 -9.152 6.671 -12.501 1.00 0.00 H new ATOM 454 N ASP A 78 -8.492 7.631 -8.109 1.00 0.00 N ATOM 455 CA ASP A 78 -9.157 8.544 -7.170 1.00 0.00 C ATOM 456 C ASP A 78 -8.124 9.411 -6.451 1.00 0.00 C ATOM 457 O ASP A 78 -8.300 10.621 -6.384 1.00 0.00 O ATOM 458 CB ASP A 78 -9.997 7.808 -6.117 1.00 0.00 C ATOM 459 CG ASP A 78 -10.963 6.776 -6.690 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.720 7.112 -7.630 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.980 5.653 -6.144 1.00 0.00 O ATOM 0 H ASP A 78 -8.583 6.644 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.829 9.161 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.326 7.310 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.565 8.542 -5.546 1.00 0.00 H new ATOM 466 N ALA A 79 -7.019 8.827 -5.970 1.00 0.00 N ATOM 467 CA ALA A 79 -5.955 9.582 -5.299 1.00 0.00 C ATOM 468 C ALA A 79 -5.359 10.684 -6.199 1.00 0.00 C ATOM 469 O ALA A 79 -5.212 11.828 -5.765 1.00 0.00 O ATOM 470 CB ALA A 79 -4.878 8.590 -4.838 1.00 0.00 C ATOM 0 H ALA A 79 -6.839 7.825 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.377 10.101 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.076 9.131 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.318 7.870 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.474 8.063 -5.703 1.00 0.00 H new ATOM 476 N ARG A 80 -5.097 10.366 -7.473 1.00 0.00 N ATOM 477 CA ARG A 80 -4.635 11.309 -8.505 1.00 0.00 C ATOM 478 C ARG A 80 -5.643 12.438 -8.731 1.00 0.00 C ATOM 479 O ARG A 80 -5.272 13.606 -8.696 1.00 0.00 O ATOM 480 CB ARG A 80 -4.326 10.502 -9.783 1.00 0.00 C ATOM 481 CG ARG A 80 -3.833 11.351 -10.967 1.00 0.00 C ATOM 482 CD ARG A 80 -3.459 10.486 -12.179 1.00 0.00 C ATOM 483 NE ARG A 80 -2.241 9.683 -11.924 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.982 10.038 -12.122 1.00 0.00 C ATOM 485 NH1 ARG A 80 -0.651 11.215 -12.575 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.016 9.206 -11.861 1.00 0.00 N ATOM 0 H ARG A 80 -5.203 9.415 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.724 11.811 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.571 9.752 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.225 9.966 -10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.610 12.060 -11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.967 11.936 -10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.288 9.822 -12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.298 11.126 -13.047 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.390 8.745 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.375 11.901 -12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.332 11.450 -12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.228 8.275 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.953 9.485 -12.015 1.00 0.00 H new ATOM 500 N VAL A 81 -6.930 12.122 -8.886 1.00 0.00 N ATOM 501 CA VAL A 81 -7.974 13.146 -9.064 1.00 0.00 C ATOM 502 C VAL A 81 -8.211 13.965 -7.785 1.00 0.00 C ATOM 503 O VAL A 81 -8.436 15.167 -7.889 1.00 0.00 O ATOM 504 CB VAL A 81 -9.275 12.517 -9.604 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.442 13.513 -9.644 1.00 0.00 C ATOM 506 CG2 VAL A 81 -9.096 12.017 -11.039 1.00 0.00 C ATOM 0 H VAL A 81 -7.280 11.164 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.616 13.853 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.499 11.701 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.331 13.016 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.642 13.880 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.183 14.351 -10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.030 11.579 -11.391 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.821 12.852 -11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.309 11.263 -11.066 1.00 0.00 H new ATOM 516 N LEU A 82 -8.097 13.392 -6.580 1.00 0.00 N ATOM 517 CA LEU A 82 -8.187 14.150 -5.320 1.00 0.00 C ATOM 518 C LEU A 82 -7.032 15.157 -5.178 1.00 0.00 C ATOM 519 O LEU A 82 -7.274 16.314 -4.840 1.00 0.00 O ATOM 520 CB LEU A 82 -8.219 13.177 -4.124 1.00 0.00 C ATOM 521 CG LEU A 82 -9.520 12.362 -3.976 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.296 11.246 -2.959 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.708 13.208 -3.524 1.00 0.00 C ATOM 0 H LEU A 82 -7.940 12.393 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.113 14.725 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.383 12.484 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.060 13.746 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.761 11.962 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.212 10.665 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.493 10.595 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.023 11.680 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.593 12.577 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.488 13.657 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.893 13.995 -4.255 1.00 0.00 H new ATOM 535 N ILE A 83 -5.791 14.761 -5.499 1.00 0.00 N ATOM 536 CA ILE A 83 -4.635 15.678 -5.487 1.00 0.00 C ATOM 537 C ILE A 83 -4.758 16.731 -6.603 1.00 0.00 C ATOM 538 O ILE A 83 -4.453 17.901 -6.368 1.00 0.00 O ATOM 539 CB ILE A 83 -3.302 14.897 -5.547 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.122 14.054 -4.261 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.110 15.867 -5.714 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.019 12.993 -4.357 1.00 0.00 C ATOM 0 H ILE A 83 -5.559 13.806 -5.772 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.634 16.220 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.331 14.231 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.897 14.722 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.066 13.561 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.181 15.298 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.229 16.434 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.079 16.554 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.957 12.446 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.251 12.299 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.064 13.478 -4.558 1.00 0.00 H new ATOM 554 N PHE A 84 -5.272 16.362 -7.784 1.00 0.00 N ATOM 555 CA PHE A 84 -5.588 17.333 -8.837 1.00 0.00 C ATOM 556 C PHE A 84 -6.623 18.368 -8.373 1.00 0.00 C ATOM 557 O PHE A 84 -6.391 19.568 -8.505 1.00 0.00 O ATOM 558 CB PHE A 84 -6.090 16.633 -10.107 1.00 0.00 C ATOM 559 CG PHE A 84 -6.368 17.638 -11.208 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.287 18.279 -11.839 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.685 18.041 -11.502 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.508 19.347 -12.721 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.910 19.100 -12.401 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.823 19.765 -12.994 1.00 0.00 C ATOM 0 H PHE A 84 -5.478 15.395 -8.033 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.660 17.858 -9.064 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.347 15.912 -10.447 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.998 16.073 -9.883 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.278 17.946 -11.643 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.521 17.538 -11.038 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.672 19.846 -13.188 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.920 19.402 -12.636 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.998 20.597 -13.660 1.00 0.00 H new ATOM 574 N ASN A 85 -7.740 17.917 -7.790 1.00 0.00 N ATOM 575 CA ASN A 85 -8.796 18.786 -7.276 1.00 0.00 C ATOM 576 C ASN A 85 -8.279 19.718 -6.166 1.00 0.00 C ATOM 577 O ASN A 85 -8.629 20.900 -6.154 1.00 0.00 O ATOM 578 CB ASN A 85 -9.961 17.904 -6.797 1.00 0.00 C ATOM 579 CG ASN A 85 -11.121 18.735 -6.273 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.924 19.260 -7.030 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.243 18.894 -4.973 1.00 0.00 N ATOM 0 H ASN A 85 -7.935 16.924 -7.662 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.148 19.443 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.305 17.278 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.610 17.234 -6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.007 19.455 -4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.573 18.456 -4.341 1.00 0.00 H new ATOM 588 N GLU A 86 -7.413 19.217 -5.273 1.00 0.00 N ATOM 589 CA GLU A 86 -6.727 20.056 -4.290 1.00 0.00 C ATOM 590 C GLU A 86 -5.862 21.123 -4.974 1.00 0.00 C ATOM 591 O GLU A 86 -6.113 22.305 -4.738 1.00 0.00 O ATOM 592 CB GLU A 86 -5.915 19.221 -3.286 1.00 0.00 C ATOM 593 CG GLU A 86 -5.205 20.145 -2.281 1.00 0.00 C ATOM 594 CD GLU A 86 -4.575 19.392 -1.099 1.00 0.00 C ATOM 595 OE1 GLU A 86 -3.878 18.373 -1.320 1.00 0.00 O ATOM 596 OE2 GLU A 86 -4.753 19.843 0.058 1.00 0.00 O ATOM 0 H GLU A 86 -7.173 18.227 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.495 20.575 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.574 18.533 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.180 18.614 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.428 20.706 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.921 20.872 -1.899 1.00 0.00 H new ATOM 603 N TRP A 87 -4.894 20.758 -5.834 1.00 0.00 N ATOM 604 CA TRP A 87 -4.091 21.748 -6.543 1.00 0.00 C ATOM 605 C TRP A 87 -4.963 22.778 -7.279 1.00 0.00 C ATOM 606 O TRP A 87 -4.722 23.971 -7.138 1.00 0.00 O ATOM 607 CB TRP A 87 -3.137 21.062 -7.526 1.00 0.00 C ATOM 608 CG TRP A 87 -2.498 22.042 -8.457 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.461 22.850 -8.149 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.952 22.458 -9.782 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.235 23.732 -9.189 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.149 23.558 -10.206 1.00 0.00 C ATOM 613 CE3 TRP A 87 -3.995 22.051 -10.643 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.379 24.234 -11.412 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.246 22.732 -11.848 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.450 23.826 -12.229 1.00 0.00 C ATOM 0 H TRP A 87 -4.656 19.789 -6.048 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.508 22.286 -5.796 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.364 20.531 -6.971 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.684 20.317 -8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.895 22.813 -7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.486 24.424 -9.202 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.609 21.205 -10.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.744 25.055 -11.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.057 22.412 -12.485 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.660 24.353 -13.148 1.00 0.00 H new ATOM 627 N GLU A 88 -5.987 22.348 -8.014 1.00 0.00 N ATOM 628 CA GLU A 88 -6.818 23.215 -8.844 1.00 0.00 C ATOM 629 C GLU A 88 -7.628 24.225 -8.007 1.00 0.00 C ATOM 630 O GLU A 88 -7.631 25.418 -8.325 1.00 0.00 O ATOM 631 CB GLU A 88 -7.692 22.309 -9.727 1.00 0.00 C ATOM 632 CG GLU A 88 -8.373 23.027 -10.896 1.00 0.00 C ATOM 633 CD GLU A 88 -9.711 23.724 -10.558 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.418 23.331 -9.598 1.00 0.00 O ATOM 635 OE2 GLU A 88 -10.098 24.648 -11.314 1.00 0.00 O ATOM 0 H GLU A 88 -6.267 21.368 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.195 23.842 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.074 21.503 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.458 21.847 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.684 23.773 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.551 22.303 -11.691 1.00 0.00 H new ATOM 642 N GLU A 89 -8.228 23.796 -6.891 1.00 0.00 N ATOM 643 CA GLU A 89 -8.939 24.684 -5.965 1.00 0.00 C ATOM 644 C GLU A 89 -7.983 25.669 -5.266 1.00 0.00 C ATOM 645 O GLU A 89 -8.225 26.882 -5.256 1.00 0.00 O ATOM 646 CB GLU A 89 -9.709 23.833 -4.942 1.00 0.00 C ATOM 647 CG GLU A 89 -10.570 24.685 -4.004 1.00 0.00 C ATOM 648 CD GLU A 89 -11.396 23.791 -3.058 1.00 0.00 C ATOM 649 OE1 GLU A 89 -10.897 23.432 -1.963 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.555 23.448 -3.398 1.00 0.00 O ATOM 0 H GLU A 89 -8.234 22.817 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.644 25.290 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.345 23.123 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.001 23.250 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.932 25.349 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.237 25.317 -4.589 1.00 0.00 H new ATOM 657 N ARG A 90 -6.859 25.168 -4.728 1.00 0.00 N ATOM 658 CA ARG A 90 -5.830 25.995 -4.074 1.00 0.00 C ATOM 659 C ARG A 90 -5.267 27.020 -5.054 1.00 0.00 C ATOM 660 O ARG A 90 -5.164 28.189 -4.706 1.00 0.00 O ATOM 661 CB ARG A 90 -4.677 25.124 -3.566 1.00 0.00 C ATOM 662 CG ARG A 90 -5.063 24.035 -2.562 1.00 0.00 C ATOM 663 CD ARG A 90 -4.805 24.385 -1.093 1.00 0.00 C ATOM 664 NE ARG A 90 -5.133 23.223 -0.239 1.00 0.00 N ATOM 665 CZ ARG A 90 -6.235 23.003 0.458 1.00 0.00 C ATOM 666 NH1 ARG A 90 -7.179 23.891 0.584 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.405 21.851 1.037 1.00 0.00 N ATOM 0 H ARG A 90 -6.637 24.172 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.301 26.505 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.199 24.650 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.932 25.772 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.122 23.808 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.512 23.126 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.761 24.667 -0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.409 25.244 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.418 22.498 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.086 24.802 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.012 23.676 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.692 21.127 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.252 21.672 1.577 1.00 0.00 H new ATOM 681 N LYS A 91 -4.963 26.598 -6.284 1.00 0.00 N ATOM 682 CA LYS A 91 -4.476 27.461 -7.379 1.00 0.00 C ATOM 683 C LYS A 91 -5.500 28.528 -7.784 1.00 0.00 C ATOM 684 O LYS A 91 -5.106 29.661 -8.058 1.00 0.00 O ATOM 685 CB LYS A 91 -3.983 26.596 -8.561 1.00 0.00 C ATOM 686 CG LYS A 91 -3.207 27.382 -9.636 1.00 0.00 C ATOM 687 CD LYS A 91 -4.065 27.812 -10.839 1.00 0.00 C ATOM 688 CE LYS A 91 -3.198 28.584 -11.847 1.00 0.00 C ATOM 689 NZ LYS A 91 -3.966 28.978 -13.066 1.00 0.00 N ATOM 0 H LYS A 91 -5.049 25.620 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.618 28.027 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.344 25.802 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.842 26.114 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.771 28.270 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.380 26.769 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.502 26.936 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.892 28.437 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.796 29.477 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.347 27.968 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.507 28.579 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.938 28.614 -12.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.989 30.015 -13.142 1.00 0.00 H new ATOM 703 N LYS A 92 -6.807 28.228 -7.758 1.00 0.00 N ATOM 704 CA LYS A 92 -7.871 29.248 -7.905 1.00 0.00 C ATOM 705 C LYS A 92 -7.877 30.273 -6.758 1.00 0.00 C ATOM 706 O LYS A 92 -8.056 31.464 -7.023 1.00 0.00 O ATOM 707 CB LYS A 92 -9.249 28.574 -8.066 1.00 0.00 C ATOM 708 CG LYS A 92 -9.793 28.637 -9.504 1.00 0.00 C ATOM 709 CD LYS A 92 -8.912 27.915 -10.538 1.00 0.00 C ATOM 710 CE LYS A 92 -9.482 28.013 -11.963 1.00 0.00 C ATOM 711 NZ LYS A 92 -10.720 27.205 -12.135 1.00 0.00 N ATOM 0 H LYS A 92 -7.161 27.279 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.652 29.811 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.174 27.531 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.961 29.053 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.791 28.199 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.897 29.682 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.910 28.343 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.815 26.866 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.697 29.056 -12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.730 27.677 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.896 27.051 -13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.604 26.287 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.526 27.712 -11.717 1.00 0.00 H new ATOM 725 N SER A 93 -7.637 29.850 -5.513 1.00 0.00 N ATOM 726 CA SER A 93 -7.534 30.767 -4.359 1.00 0.00 C ATOM 727 C SER A 93 -6.211 31.557 -4.289 1.00 0.00 C ATOM 728 O SER A 93 -6.207 32.725 -3.894 1.00 0.00 O ATOM 729 CB SER A 93 -7.720 29.997 -3.046 1.00 0.00 C ATOM 730 OG SER A 93 -9.022 29.427 -2.984 1.00 0.00 O ATOM 0 H SER A 93 -7.508 28.868 -5.271 1.00 0.00 H new ATOM 0 HA SER A 93 -8.331 31.497 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.968 29.211 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.569 30.667 -2.200 1.00 0.00 H new ATOM 0 HG SER A 93 -9.125 28.937 -2.141 1.00 0.00 H new ATOM 736 N ASP A 94 -5.089 30.941 -4.676 1.00 0.00 N ATOM 737 CA ASP A 94 -3.710 31.412 -4.520 1.00 0.00 C ATOM 738 C ASP A 94 -2.839 30.862 -5.685 1.00 0.00 C ATOM 739 O ASP A 94 -2.471 29.684 -5.685 1.00 0.00 O ATOM 740 CB ASP A 94 -3.152 30.944 -3.165 1.00 0.00 C ATOM 741 CG ASP A 94 -3.776 31.696 -1.978 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.387 32.864 -1.735 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.625 31.114 -1.256 1.00 0.00 O ATOM 0 H ASP A 94 -5.124 30.034 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.690 32.501 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.335 29.876 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.071 31.086 -3.153 1.00 0.00 H new ATOM 748 N PRO A 95 -2.498 31.683 -6.698 1.00 0.00 N ATOM 749 CA PRO A 95 -2.074 31.221 -8.031 1.00 0.00 C ATOM 750 C PRO A 95 -0.672 30.593 -8.130 1.00 0.00 C ATOM 751 O PRO A 95 -0.347 29.988 -9.154 1.00 0.00 O ATOM 752 CB PRO A 95 -2.192 32.459 -8.930 1.00 0.00 C ATOM 753 CG PRO A 95 -1.995 33.615 -7.953 1.00 0.00 C ATOM 754 CD PRO A 95 -2.743 33.115 -6.726 1.00 0.00 C ATOM 0 HA PRO A 95 -2.712 30.389 -8.329 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.436 32.461 -9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.163 32.508 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.941 33.798 -7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.411 34.548 -8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.379 33.596 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.809 33.332 -6.797 1.00 0.00 H new ATOM 762 N TRP A 96 0.168 30.726 -7.099 1.00 0.00 N ATOM 763 CA TRP A 96 1.567 30.268 -7.109 1.00 0.00 C ATOM 764 C TRP A 96 1.746 28.737 -7.127 1.00 0.00 C ATOM 765 O TRP A 96 2.820 28.261 -7.501 1.00 0.00 O ATOM 766 CB TRP A 96 2.282 30.828 -5.871 1.00 0.00 C ATOM 767 CG TRP A 96 1.916 30.148 -4.583 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.762 30.319 -3.902 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.657 29.120 -3.857 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.739 29.482 -2.801 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.880 28.711 -2.731 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.901 28.477 -4.048 1.00 0.00 C ATOM 773 CZ2 TRP A 96 2.315 27.718 -1.839 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.347 27.480 -3.159 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.558 27.101 -2.054 1.00 0.00 C ATOM 0 H TRP A 96 -0.106 31.161 -6.218 1.00 0.00 H new ATOM 0 HA TRP A 96 1.996 30.637 -8.041 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.359 30.744 -6.019 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.054 31.890 -5.784 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.025 31.006 -4.176 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.025 29.440 -2.127 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.519 28.755 -4.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.701 27.432 -0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.301 27.002 -3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.909 26.338 -1.375 1.00 0.00 H new ATOM 786 N LEU A 97 0.750 27.959 -6.673 1.00 0.00 N ATOM 787 CA LEU A 97 0.971 26.573 -6.261 1.00 0.00 C ATOM 788 C LEU A 97 1.427 25.654 -7.417 1.00 0.00 C ATOM 789 O LEU A 97 0.791 25.599 -8.471 1.00 0.00 O ATOM 790 CB LEU A 97 -0.304 26.033 -5.593 1.00 0.00 C ATOM 791 CG LEU A 97 -0.132 24.648 -4.937 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.825 24.673 -3.744 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.489 24.173 -4.450 1.00 0.00 C ATOM 0 H LEU A 97 -0.217 28.272 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 97 1.794 26.571 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.633 26.744 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.096 25.974 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 97 0.290 23.980 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.907 23.671 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.808 25.010 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.443 25.356 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.386 23.194 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.883 24.882 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.174 24.101 -5.295 1.00 0.00 H new ATOM 805 N ARG A 98 2.478 24.860 -7.172 1.00 0.00 N ATOM 806 CA ARG A 98 2.945 23.772 -8.052 1.00 0.00 C ATOM 807 C ARG A 98 2.166 22.474 -7.769 1.00 0.00 C ATOM 808 O ARG A 98 2.006 22.090 -6.610 1.00 0.00 O ATOM 809 CB ARG A 98 4.462 23.606 -7.826 1.00 0.00 C ATOM 810 CG ARG A 98 5.200 22.625 -8.757 1.00 0.00 C ATOM 811 CD ARG A 98 5.478 23.169 -10.171 1.00 0.00 C ATOM 812 NE ARG A 98 4.325 23.049 -11.087 1.00 0.00 N ATOM 813 CZ ARG A 98 3.922 21.958 -11.714 1.00 0.00 C ATOM 814 NH1 ARG A 98 4.520 20.813 -11.570 1.00 0.00 N ATOM 815 NH2 ARG A 98 2.884 22.001 -12.494 1.00 0.00 N ATOM 0 H ARG A 98 3.047 24.957 -6.331 1.00 0.00 H new ATOM 0 HA ARG A 98 2.763 24.013 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.929 24.586 -7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.619 23.281 -6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.148 22.350 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.610 21.712 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.766 24.218 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.327 22.634 -10.597 1.00 0.00 H new ATOM 0 HE ARG A 98 3.783 23.897 -11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.330 20.735 -10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.179 19.993 -12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.379 22.878 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.574 21.158 -12.977 1.00 0.00 H new ATOM 829 N LEU A 99 1.687 21.793 -8.815 1.00 0.00 N ATOM 830 CA LEU A 99 1.065 20.461 -8.715 1.00 0.00 C ATOM 831 C LEU A 99 2.180 19.401 -8.605 1.00 0.00 C ATOM 832 O LEU A 99 2.959 19.237 -9.543 1.00 0.00 O ATOM 833 CB LEU A 99 0.154 20.256 -9.952 1.00 0.00 C ATOM 834 CG LEU A 99 -0.796 19.031 -9.997 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.525 19.071 -11.339 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.034 17.708 -9.961 1.00 0.00 C ATOM 0 H LEU A 99 1.719 22.153 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 99 0.442 20.366 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.459 21.151 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.799 20.204 -10.829 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.459 19.084 -9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.205 18.222 -11.409 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.093 19.998 -11.417 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.798 19.021 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.742 16.880 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.634 17.649 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.550 17.649 -9.043 1.00 0.00 H new ATOM 848 N ASP A 100 2.237 18.651 -7.500 1.00 0.00 N ATOM 849 CA ASP A 100 3.138 17.498 -7.347 1.00 0.00 C ATOM 850 C ASP A 100 2.355 16.213 -7.039 1.00 0.00 C ATOM 851 O ASP A 100 1.742 16.085 -5.977 1.00 0.00 O ATOM 852 CB ASP A 100 4.196 17.751 -6.264 1.00 0.00 C ATOM 853 CG ASP A 100 5.142 18.914 -6.617 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.975 18.751 -7.542 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.087 19.973 -5.949 1.00 0.00 O ATOM 0 H ASP A 100 1.657 18.826 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 100 3.652 17.365 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.698 17.967 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.782 16.844 -6.115 1.00 0.00 H new ATOM 860 N MET A 101 2.405 15.242 -7.957 1.00 0.00 N ATOM 861 CA MET A 101 2.009 13.854 -7.693 1.00 0.00 C ATOM 862 C MET A 101 2.678 12.848 -8.644 1.00 0.00 C ATOM 863 O MET A 101 2.831 13.075 -9.845 1.00 0.00 O ATOM 864 CB MET A 101 0.482 13.646 -7.698 1.00 0.00 C ATOM 865 CG MET A 101 -0.337 14.541 -8.632 1.00 0.00 C ATOM 866 SD MET A 101 -1.987 13.859 -8.908 1.00 0.00 S ATOM 867 CE MET A 101 -2.623 14.961 -10.193 1.00 0.00 C ATOM 0 H MET A 101 2.724 15.399 -8.913 1.00 0.00 H new ATOM 0 HA MET A 101 2.369 13.657 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.282 12.608 -7.962 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.117 13.792 -6.682 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.420 15.539 -8.203 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.180 14.646 -9.586 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.517 14.524 -10.637 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.871 15.927 -9.754 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.864 15.097 -10.964 1.00 0.00 H new ATOM 877 N SER A 102 3.020 11.702 -8.059 1.00 0.00 N ATOM 878 CA SER A 102 3.423 10.436 -8.683 1.00 0.00 C ATOM 879 C SER A 102 3.033 9.310 -7.716 1.00 0.00 C ATOM 880 O SER A 102 2.657 9.594 -6.575 1.00 0.00 O ATOM 881 CB SER A 102 4.933 10.456 -8.962 1.00 0.00 C ATOM 882 OG SER A 102 5.325 9.291 -9.672 1.00 0.00 O ATOM 0 H SER A 102 3.023 11.625 -7.042 1.00 0.00 H new ATOM 0 HA SER A 102 2.925 10.281 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.190 11.344 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.481 10.517 -8.022 1.00 0.00 H new ATOM 0 HG SER A 102 6.290 9.321 -9.843 1.00 0.00 H new ATOM 888 N ASP A 103 3.131 8.039 -8.101 1.00 0.00 N ATOM 889 CA ASP A 103 2.713 6.909 -7.254 1.00 0.00 C ATOM 890 C ASP A 103 3.370 6.927 -5.861 1.00 0.00 C ATOM 891 O ASP A 103 2.700 6.650 -4.869 1.00 0.00 O ATOM 892 CB ASP A 103 2.987 5.590 -7.982 1.00 0.00 C ATOM 893 CG ASP A 103 1.965 5.367 -9.105 1.00 0.00 C ATOM 894 OD1 ASP A 103 0.796 5.025 -8.817 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.298 5.536 -10.302 1.00 0.00 O ATOM 0 H ASP A 103 3.502 7.757 -9.008 1.00 0.00 H new ATOM 0 HA ASP A 103 1.642 7.008 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.995 5.601 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.943 4.762 -7.274 1.00 0.00 H new ATOM 900 N LYS A 104 4.623 7.393 -5.754 1.00 0.00 N ATOM 901 CA LYS A 104 5.304 7.626 -4.463 1.00 0.00 C ATOM 902 C LYS A 104 4.577 8.653 -3.582 1.00 0.00 C ATOM 903 O LYS A 104 4.397 8.411 -2.392 1.00 0.00 O ATOM 904 CB LYS A 104 6.766 8.047 -4.704 1.00 0.00 C ATOM 905 CG LYS A 104 7.602 6.920 -5.333 1.00 0.00 C ATOM 906 CD LYS A 104 9.070 7.352 -5.490 1.00 0.00 C ATOM 907 CE LYS A 104 9.976 6.230 -6.022 1.00 0.00 C ATOM 908 NZ LYS A 104 9.720 5.904 -7.455 1.00 0.00 N ATOM 0 H LYS A 104 5.200 7.622 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 104 5.286 6.684 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.788 8.920 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.217 8.346 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.545 6.028 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.190 6.655 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.121 8.204 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.448 7.689 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.018 6.525 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.828 5.334 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.360 5.142 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.734 5.594 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.888 6.748 -8.038 1.00 0.00 H new ATOM 922 N ALA A 105 4.091 9.757 -4.160 1.00 0.00 N ATOM 923 CA ALA A 105 3.272 10.758 -3.457 1.00 0.00 C ATOM 924 C ALA A 105 1.907 10.189 -3.036 1.00 0.00 C ATOM 925 O ALA A 105 1.445 10.448 -1.925 1.00 0.00 O ATOM 926 CB ALA A 105 3.134 12.015 -4.327 1.00 0.00 C ATOM 0 H ALA A 105 4.256 9.986 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 105 3.778 11.035 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.527 12.754 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.122 12.431 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.655 11.754 -5.270 1.00 0.00 H new ATOM 932 N ILE A 106 1.294 9.358 -3.886 1.00 0.00 N ATOM 933 CA ILE A 106 -0.005 8.731 -3.580 1.00 0.00 C ATOM 934 C ILE A 106 0.150 7.733 -2.436 1.00 0.00 C ATOM 935 O ILE A 106 -0.627 7.779 -1.488 1.00 0.00 O ATOM 936 CB ILE A 106 -0.648 8.122 -4.854 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.384 9.211 -5.662 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.660 6.998 -4.552 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.466 10.287 -6.240 1.00 0.00 C ATOM 0 H ILE A 106 1.675 9.101 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.703 9.495 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 106 0.179 7.697 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.929 8.737 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.124 9.687 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.071 6.617 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.158 6.189 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.467 7.392 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.061 11.014 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.060 10.791 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.258 9.825 -6.911 1.00 0.00 H new ATOM 951 N PHE A 107 1.185 6.896 -2.464 1.00 0.00 N ATOM 952 CA PHE A 107 1.444 5.931 -1.384 1.00 0.00 C ATOM 953 C PHE A 107 1.856 6.627 -0.072 1.00 0.00 C ATOM 954 O PHE A 107 1.473 6.177 1.009 1.00 0.00 O ATOM 955 CB PHE A 107 2.502 4.898 -1.798 1.00 0.00 C ATOM 956 CG PHE A 107 2.253 4.125 -3.081 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.945 3.912 -3.560 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.344 3.585 -3.791 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.732 3.194 -4.744 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.129 2.855 -4.973 1.00 0.00 C ATOM 961 CZ PHE A 107 1.821 2.659 -5.453 1.00 0.00 C ATOM 0 H PHE A 107 1.864 6.863 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 107 0.505 5.408 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.458 5.413 -1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.608 4.179 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.102 4.305 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.350 3.733 -3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.273 3.051 -5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.969 2.444 -5.513 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.655 2.100 -6.362 1.00 0.00 H new ATOM 971 N ARG A 108 2.596 7.747 -0.146 1.00 0.00 N ATOM 972 CA ARG A 108 2.980 8.564 1.020 1.00 0.00 C ATOM 973 C ARG A 108 1.766 9.209 1.700 1.00 0.00 C ATOM 974 O ARG A 108 1.673 9.176 2.928 1.00 0.00 O ATOM 975 CB ARG A 108 4.031 9.605 0.588 1.00 0.00 C ATOM 976 CG ARG A 108 4.567 10.441 1.762 1.00 0.00 C ATOM 977 CD ARG A 108 5.656 11.410 1.293 1.00 0.00 C ATOM 978 NE ARG A 108 6.158 12.233 2.415 1.00 0.00 N ATOM 979 CZ ARG A 108 7.066 13.191 2.351 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.648 13.524 1.232 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.410 13.843 3.425 1.00 0.00 N ATOM 0 H ARG A 108 2.949 8.116 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 108 3.424 7.913 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.863 9.094 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.591 10.271 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 108 3.750 11.000 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 108 4.969 9.780 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.480 10.849 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.258 12.058 0.512 1.00 0.00 H new ATOM 0 HE ARG A 108 5.762 12.041 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.406 13.039 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.345 14.269 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.978 13.615 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.111 14.582 3.371 1.00 0.00 H new ATOM 995 N ARG A 109 0.824 9.767 0.924 1.00 0.00 N ATOM 996 CA ARG A 109 -0.413 10.369 1.455 1.00 0.00 C ATOM 997 C ARG A 109 -1.430 9.309 1.910 1.00 0.00 C ATOM 998 O ARG A 109 -2.054 9.465 2.959 1.00 0.00 O ATOM 999 CB ARG A 109 -1.003 11.333 0.408 1.00 0.00 C ATOM 1000 CG ARG A 109 -2.189 12.119 0.987 1.00 0.00 C ATOM 1001 CD ARG A 109 -2.825 13.088 -0.014 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.061 14.340 -0.179 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.573 15.510 -0.523 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.838 15.694 -0.750 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -1.841 16.571 -0.666 1.00 0.00 N ATOM 0 H ARG A 109 0.897 9.815 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.165 10.938 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.232 12.027 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.328 10.770 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.947 11.416 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.853 12.679 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.913 12.594 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.836 13.328 0.315 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.055 14.300 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.490 14.914 -0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.180 16.618 -1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.834 16.520 -0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.272 17.456 -0.932 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.570 8.233 1.135 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.582 7.186 1.295 1.00 0.00 C ATOM 1021 C TYR A 110 -1.909 5.792 1.374 1.00 0.00 C ATOM 1022 O TYR A 110 -1.695 5.141 0.344 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.581 7.291 0.130 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.165 8.666 -0.136 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -5.039 9.263 0.790 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.872 9.327 -1.347 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.660 10.492 0.489 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.501 10.549 -1.659 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.411 11.127 -0.747 1.00 0.00 C ATOM 1030 OH TYR A 110 -6.023 12.308 -1.040 1.00 0.00 O ATOM 0 H TYR A 110 -0.953 8.059 0.342 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.127 7.319 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.084 6.949 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.403 6.602 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.235 8.778 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -3.163 8.895 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.327 10.949 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -4.287 11.043 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.742 12.610 -1.929 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.553 5.307 2.582 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.669 4.144 2.751 1.00 0.00 C ATOM 1042 C PRO A 111 -1.282 2.803 2.317 1.00 0.00 C ATOM 1043 O PRO A 111 -0.546 1.835 2.105 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.279 4.147 4.234 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.453 4.851 4.912 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.854 5.898 3.879 1.00 0.00 C ATOM 0 HA PRO A 111 0.194 4.236 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -0.144 3.135 4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.658 4.678 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.269 4.162 5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.161 5.306 5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.913 6.144 3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.299 6.825 4.025 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.607 2.729 2.143 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.318 1.520 1.707 1.00 0.00 C ATOM 1056 C HIS A 112 -3.260 1.262 0.186 1.00 0.00 C ATOM 1057 O HIS A 112 -3.701 0.197 -0.254 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.757 1.568 2.244 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.625 2.630 1.616 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.446 4.011 1.747 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.670 2.392 0.772 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.402 4.568 0.983 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.160 3.624 0.404 1.00 0.00 N ATOM 0 H HIS A 112 -3.227 3.523 2.304 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.799 0.660 2.131 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.223 0.595 2.085 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.724 1.734 3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.039 1.428 0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.541 5.631 0.853 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.962 3.791 -0.204 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.715 2.190 -0.620 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.632 2.036 -2.085 1.00 0.00 C ATOM 1073 C LEU A 113 -1.401 1.231 -2.555 1.00 0.00 C ATOM 1074 O LEU A 113 -1.488 0.585 -3.607 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.696 3.409 -2.799 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.091 4.029 -3.008 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.031 3.170 -3.849 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.802 4.274 -1.695 1.00 0.00 C ATOM 0 H LEU A 113 -2.320 3.066 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.506 1.450 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.094 4.116 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.223 3.305 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.882 4.961 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.992 3.674 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.596 3.015 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.177 2.206 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.781 4.712 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.925 3.329 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.213 4.958 -1.084 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.282 1.249 -1.810 1.00 0.00 N ATOM 1091 CA ARG A 114 0.936 0.479 -2.133 1.00 0.00 C ATOM 1092 C ARG A 114 0.697 -1.042 -2.143 1.00 0.00 C ATOM 1093 O ARG A 114 0.136 -1.583 -1.161 1.00 0.00 O ATOM 1094 CB ARG A 114 2.076 0.868 -1.179 1.00 0.00 C ATOM 1095 CG ARG A 114 3.430 0.315 -1.652 1.00 0.00 C ATOM 1096 CD ARG A 114 4.572 0.786 -0.746 1.00 0.00 C ATOM 1097 NE ARG A 114 5.870 0.250 -1.197 1.00 0.00 N ATOM 1098 CZ ARG A 114 7.037 0.388 -0.597 1.00 0.00 C ATOM 1099 NH1 ARG A 114 7.171 1.054 0.514 1.00 0.00 N ATOM 1100 NH2 ARG A 114 8.104 -0.152 -1.107 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.091 -1.702 -3.136 1.00 0.00 O ATOM 0 H ARG A 114 -0.195 1.803 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 114 1.227 0.740 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.133 1.954 -1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.858 0.491 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.397 -0.774 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.619 0.637 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.608 1.875 -0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.381 0.468 0.279 1.00 0.00 H new ATOM 0 HE ARG A 114 5.865 -0.285 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.358 1.490 0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.089 1.140 0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.041 -0.685 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.004 -0.043 -0.640 1.00 0.00 H new TER 1115 ARG A 114