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 8 HIS : no HE2:sc= -0.24 K(o=-0.35,f=-6.3!) USER MOD Set 1.2: A 10 HIS : no HD1:sc= -0.105 X(o=-0.35,f=-0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 7 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.08) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.44 USER MOD Single : A 77 SER OG : rot 180:sc= 0.531 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 1.83 (180deg=1.64) USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 2.39 (180deg=2.29) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -168:sc= -0.0367 (180deg=-0.33) 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= -0.039 K(o=-0.039,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.428 47.989 -20.474 1.00 0.00 N ATOM 2 CA MET A 1 11.374 47.934 -19.316 1.00 0.00 C ATOM 3 C MET A 1 10.909 46.944 -18.233 1.00 0.00 C ATOM 4 O MET A 1 11.502 45.872 -18.109 1.00 0.00 O ATOM 5 CB MET A 1 11.700 49.343 -18.753 1.00 0.00 C ATOM 6 CG MET A 1 12.720 49.337 -17.600 1.00 0.00 C ATOM 7 SD MET A 1 14.332 48.591 -17.985 1.00 0.00 S ATOM 8 CE MET A 1 15.129 48.737 -16.361 1.00 0.00 C ATOM 0 H1 MET A 1 10.781 48.668 -21.178 1.00 0.00 H new ATOM 0 H2 MET A 1 10.355 47.047 -20.908 1.00 0.00 H new ATOM 0 H3 MET A 1 9.490 48.291 -20.142 1.00 0.00 H new ATOM 0 HA MET A 1 12.317 47.542 -19.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.084 49.966 -19.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.777 49.806 -18.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.883 50.365 -17.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.284 48.803 -16.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.137 48.325 -16.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.181 49.787 -16.074 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.549 48.187 -15.620 1.00 0.00 H new ATOM 20 N ARG A 2 9.877 47.284 -17.437 1.00 0.00 N ATOM 21 CA ARG A 2 9.420 46.507 -16.258 1.00 0.00 C ATOM 22 C ARG A 2 7.890 46.507 -16.083 1.00 0.00 C ATOM 23 O ARG A 2 7.190 47.308 -16.704 1.00 0.00 O ATOM 24 CB ARG A 2 10.143 47.033 -14.997 1.00 0.00 C ATOM 25 CG ARG A 2 9.788 48.487 -14.629 1.00 0.00 C ATOM 26 CD ARG A 2 10.535 48.942 -13.367 1.00 0.00 C ATOM 27 NE ARG A 2 10.210 50.345 -13.030 1.00 0.00 N ATOM 28 CZ ARG A 2 9.191 50.794 -12.317 1.00 0.00 C ATOM 29 NH1 ARG A 2 8.299 49.998 -11.793 1.00 0.00 N ATOM 30 NH2 ARG A 2 9.042 52.072 -12.116 1.00 0.00 N ATOM 0 H ARG A 2 9.322 48.125 -17.596 1.00 0.00 H new ATOM 0 HA ARG A 2 9.684 45.462 -16.421 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.898 46.386 -14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.220 46.961 -15.152 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.039 49.146 -15.460 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.713 48.572 -14.468 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.271 48.294 -12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.609 48.842 -13.521 1.00 0.00 H new ATOM 0 HE ARG A 2 10.850 51.052 -13.392 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.374 48.990 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.527 50.384 -11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.713 52.732 -12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.254 52.413 -11.565 1.00 0.00 H new ATOM 44 N GLY A 3 7.392 45.647 -15.192 1.00 0.00 N ATOM 45 CA GLY A 3 6.002 45.656 -14.709 1.00 0.00 C ATOM 46 C GLY A 3 4.982 45.037 -15.673 1.00 0.00 C ATOM 47 O GLY A 3 4.069 45.725 -16.136 1.00 0.00 O ATOM 0 H GLY A 3 7.954 44.906 -14.774 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.958 45.119 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.710 46.686 -14.505 1.00 0.00 H new ATOM 51 N SER A 4 5.121 43.738 -15.960 1.00 0.00 N ATOM 52 CA SER A 4 4.165 42.943 -16.754 1.00 0.00 C ATOM 53 C SER A 4 3.925 41.542 -16.166 1.00 0.00 C ATOM 54 O SER A 4 4.849 40.889 -15.668 1.00 0.00 O ATOM 55 CB SER A 4 4.612 42.856 -18.223 1.00 0.00 C ATOM 56 OG SER A 4 5.912 42.294 -18.352 1.00 0.00 O ATOM 0 H SER A 4 5.921 43.192 -15.640 1.00 0.00 H new ATOM 0 HA SER A 4 3.210 43.466 -16.712 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.899 42.252 -18.784 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.602 43.853 -18.664 1.00 0.00 H new ATOM 0 HG SER A 4 6.159 42.254 -19.300 1.00 0.00 H new ATOM 62 N HIS A 5 2.667 41.080 -16.206 1.00 0.00 N ATOM 63 CA HIS A 5 2.227 39.752 -15.744 1.00 0.00 C ATOM 64 C HIS A 5 0.887 39.346 -16.388 1.00 0.00 C ATOM 65 O HIS A 5 -0.030 40.167 -16.478 1.00 0.00 O ATOM 66 CB HIS A 5 2.074 39.758 -14.213 1.00 0.00 C ATOM 67 CG HIS A 5 1.523 38.463 -13.662 1.00 0.00 C ATOM 68 ND1 HIS A 5 2.119 37.204 -13.790 1.00 0.00 N ATOM 69 CD2 HIS A 5 0.328 38.321 -13.016 1.00 0.00 C ATOM 70 CE1 HIS A 5 1.275 36.335 -13.209 1.00 0.00 C ATOM 71 NE2 HIS A 5 0.192 36.978 -12.736 1.00 0.00 N ATOM 0 H HIS A 5 1.898 41.640 -16.574 1.00 0.00 H new ATOM 0 HA HIS A 5 2.984 39.027 -16.042 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.045 39.954 -13.759 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.416 40.577 -13.924 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.372 39.106 -12.773 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.442 35.271 -13.132 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -0.595 36.546 -12.253 1.00 0.00 H new ATOM 79 N HIS A 6 0.759 38.070 -16.776 1.00 0.00 N ATOM 80 CA HIS A 6 -0.475 37.461 -17.301 1.00 0.00 C ATOM 81 C HIS A 6 -0.598 35.993 -16.852 1.00 0.00 C ATOM 82 O HIS A 6 0.353 35.218 -16.988 1.00 0.00 O ATOM 83 CB HIS A 6 -0.495 37.536 -18.839 1.00 0.00 C ATOM 84 CG HIS A 6 -0.515 38.937 -19.407 1.00 0.00 C ATOM 85 ND1 HIS A 6 0.581 39.614 -19.956 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.614 39.745 -19.481 1.00 0.00 C ATOM 87 CE1 HIS A 6 0.116 40.817 -20.341 1.00 0.00 C ATOM 88 NE2 HIS A 6 -1.197 40.921 -20.068 1.00 0.00 N ATOM 0 H HIS A 6 1.536 37.410 -16.732 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.322 38.019 -16.902 1.00 0.00 H new ATOM 0 HB2 HIS A 6 0.381 37.015 -19.225 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.371 36.999 -19.203 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.613 39.509 -19.146 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.713 41.589 -20.804 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -1.784 41.732 -20.262 1.00 0.00 H new ATOM 96 N HIS A 7 -1.774 35.599 -16.350 1.00 0.00 N ATOM 97 CA HIS A 7 -2.113 34.210 -15.990 1.00 0.00 C ATOM 98 C HIS A 7 -3.635 33.957 -16.022 1.00 0.00 C ATOM 99 O HIS A 7 -4.425 34.845 -15.692 1.00 0.00 O ATOM 100 CB HIS A 7 -1.560 33.884 -14.590 1.00 0.00 C ATOM 101 CG HIS A 7 -1.883 32.478 -14.141 1.00 0.00 C ATOM 102 ND1 HIS A 7 -1.468 31.308 -14.786 1.00 0.00 N ATOM 103 CD2 HIS A 7 -2.725 32.142 -13.120 1.00 0.00 C ATOM 104 CE1 HIS A 7 -2.064 30.294 -14.132 1.00 0.00 C ATOM 105 NE2 HIS A 7 -2.824 30.766 -13.127 1.00 0.00 N ATOM 0 H HIS A 7 -2.539 36.251 -16.177 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.655 33.557 -16.733 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.478 34.020 -14.592 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.969 34.593 -13.870 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.217 32.821 -12.440 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -1.949 29.249 -14.379 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.378 30.203 -12.481 1.00 0.00 H new ATOM 113 N HIS A 8 -4.037 32.728 -16.373 1.00 0.00 N ATOM 114 CA HIS A 8 -5.402 32.204 -16.218 1.00 0.00 C ATOM 115 C HIS A 8 -5.404 30.669 -16.086 1.00 0.00 C ATOM 116 O HIS A 8 -4.543 29.989 -16.651 1.00 0.00 O ATOM 117 CB HIS A 8 -6.276 32.631 -17.413 1.00 0.00 C ATOM 118 CG HIS A 8 -7.701 32.145 -17.283 1.00 0.00 C ATOM 119 ND1 HIS A 8 -8.604 32.550 -16.294 1.00 0.00 N ATOM 120 CD2 HIS A 8 -8.259 31.128 -18.003 1.00 0.00 C ATOM 121 CE1 HIS A 8 -9.693 31.776 -16.452 1.00 0.00 C ATOM 122 NE2 HIS A 8 -9.510 30.914 -17.466 1.00 0.00 N ATOM 0 H HIS A 8 -3.400 32.048 -16.787 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.817 32.622 -15.301 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.271 33.718 -17.494 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.844 32.241 -18.334 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -8.465 33.281 -15.597 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.809 30.597 -18.829 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.587 31.839 -15.849 1.00 0.00 H new ATOM 130 N HIS A 9 -6.403 30.115 -15.385 1.00 0.00 N ATOM 131 CA HIS A 9 -6.703 28.675 -15.352 1.00 0.00 C ATOM 132 C HIS A 9 -8.217 28.415 -15.236 1.00 0.00 C ATOM 133 O HIS A 9 -8.903 29.072 -14.448 1.00 0.00 O ATOM 134 CB HIS A 9 -5.942 28.015 -14.193 1.00 0.00 C ATOM 135 CG HIS A 9 -6.027 26.509 -14.229 1.00 0.00 C ATOM 136 ND1 HIS A 9 -6.956 25.727 -13.538 1.00 0.00 N ATOM 137 CD2 HIS A 9 -5.246 25.697 -14.999 1.00 0.00 C ATOM 138 CE1 HIS A 9 -6.702 24.459 -13.899 1.00 0.00 C ATOM 139 NE2 HIS A 9 -5.686 24.410 -14.777 1.00 0.00 N ATOM 0 H HIS A 9 -7.040 30.668 -14.812 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.373 28.233 -16.292 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.896 28.318 -14.231 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.344 28.376 -13.246 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.442 26.002 -15.653 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.240 23.597 -13.534 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.306 23.566 -15.205 1.00 0.00 H new ATOM 147 N HIS A 10 -8.739 27.450 -16.009 1.00 0.00 N ATOM 148 CA HIS A 10 -10.156 27.048 -15.973 1.00 0.00 C ATOM 149 C HIS A 10 -10.418 25.924 -14.959 1.00 0.00 C ATOM 150 O HIS A 10 -11.085 26.153 -13.947 1.00 0.00 O ATOM 151 CB HIS A 10 -10.652 26.667 -17.380 1.00 0.00 C ATOM 152 CG HIS A 10 -10.784 27.822 -18.345 1.00 0.00 C ATOM 153 ND1 HIS A 10 -11.754 28.828 -18.283 1.00 0.00 N ATOM 154 CD2 HIS A 10 -10.053 27.992 -19.485 1.00 0.00 C ATOM 155 CE1 HIS A 10 -11.606 29.561 -19.401 1.00 0.00 C ATOM 156 NE2 HIS A 10 -10.578 29.092 -20.130 1.00 0.00 N ATOM 0 H HIS A 10 -8.185 26.921 -16.683 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.729 27.911 -15.633 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.965 25.935 -17.805 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.622 26.178 -17.287 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.225 27.384 -19.817 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.223 30.404 -19.674 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.243 29.483 -21.010 1.00 0.00 H new ATOM 164 N GLY A 11 -9.888 24.720 -15.217 1.00 0.00 N ATOM 165 CA GLY A 11 -10.126 23.504 -14.425 1.00 0.00 C ATOM 166 C GLY A 11 -11.511 22.878 -14.663 1.00 0.00 C ATOM 167 O GLY A 11 -12.541 23.520 -14.444 1.00 0.00 O ATOM 0 H GLY A 11 -9.263 24.560 -16.007 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.358 22.768 -14.664 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.021 23.743 -13.367 1.00 0.00 H new ATOM 171 N SER A 12 -11.541 21.625 -15.136 1.00 0.00 N ATOM 172 CA SER A 12 -12.774 20.877 -15.452 1.00 0.00 C ATOM 173 C SER A 12 -12.560 19.351 -15.448 1.00 0.00 C ATOM 174 O SER A 12 -11.428 18.870 -15.545 1.00 0.00 O ATOM 175 CB SER A 12 -13.298 21.326 -16.826 1.00 0.00 C ATOM 176 OG SER A 12 -14.627 20.866 -17.033 1.00 0.00 O ATOM 0 H SER A 12 -10.693 21.088 -15.315 1.00 0.00 H new ATOM 0 HA SER A 12 -13.503 21.098 -14.672 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.270 22.414 -16.894 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.648 20.941 -17.612 1.00 0.00 H new ATOM 0 HG SER A 12 -14.943 21.163 -17.912 1.00 0.00 H new ATOM 182 N GLY A 58 -13.652 18.584 -15.359 1.00 0.00 N ATOM 183 CA GLY A 58 -13.681 17.128 -15.586 1.00 0.00 C ATOM 184 C GLY A 58 -13.164 16.238 -14.445 1.00 0.00 C ATOM 185 O GLY A 58 -13.061 15.023 -14.625 1.00 0.00 O ATOM 0 H GLY A 58 -14.567 18.966 -15.121 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.709 16.839 -15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.094 16.912 -16.478 1.00 0.00 H new ATOM 189 N ALA A 59 -12.837 16.804 -13.278 1.00 0.00 N ATOM 190 CA ALA A 59 -12.317 16.051 -12.134 1.00 0.00 C ATOM 191 C ALA A 59 -13.410 15.198 -11.448 1.00 0.00 C ATOM 192 O ALA A 59 -14.476 15.703 -11.087 1.00 0.00 O ATOM 193 CB ALA A 59 -11.647 17.029 -11.158 1.00 0.00 C ATOM 0 H ALA A 59 -12.927 17.804 -13.101 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.573 15.338 -12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.256 16.479 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.829 17.544 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -12.379 17.760 -10.815 1.00 0.00 H new ATOM 199 N LEU A 60 -13.118 13.907 -11.232 1.00 0.00 N ATOM 200 CA LEU A 60 -13.940 12.951 -10.475 1.00 0.00 C ATOM 201 C LEU A 60 -13.077 11.942 -9.699 1.00 0.00 C ATOM 202 O LEU A 60 -12.004 11.550 -10.159 1.00 0.00 O ATOM 203 CB LEU A 60 -14.931 12.251 -11.418 1.00 0.00 C ATOM 204 CG LEU A 60 -14.286 11.303 -12.455 1.00 0.00 C ATOM 205 CD1 LEU A 60 -14.300 9.838 -12.004 1.00 0.00 C ATOM 206 CD2 LEU A 60 -15.101 11.391 -13.738 1.00 0.00 C ATOM 0 H LEU A 60 -12.265 13.482 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.509 13.504 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.640 11.681 -10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.503 13.012 -11.949 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.249 11.610 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.835 9.217 -12.770 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.746 9.739 -11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.329 9.514 -11.850 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.668 10.731 -14.490 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.129 11.088 -13.538 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.090 12.417 -14.106 1.00 0.00 H new ATOM 218 N ALA A 61 -13.554 11.511 -8.532 1.00 0.00 N ATOM 219 CA ALA A 61 -12.872 10.543 -7.666 1.00 0.00 C ATOM 220 C ALA A 61 -13.835 9.885 -6.661 1.00 0.00 C ATOM 221 O ALA A 61 -14.838 10.491 -6.273 1.00 0.00 O ATOM 222 CB ALA A 61 -11.752 11.266 -6.904 1.00 0.00 C ATOM 0 H ALA A 61 -14.445 11.831 -8.152 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.466 9.751 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.237 10.557 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.043 11.690 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.181 12.065 -6.299 1.00 0.00 H new ATOM 228 N ALA A 62 -13.501 8.675 -6.202 1.00 0.00 N ATOM 229 CA ALA A 62 -14.255 7.926 -5.197 1.00 0.00 C ATOM 230 C ALA A 62 -13.498 7.652 -3.887 1.00 0.00 C ATOM 231 O ALA A 62 -12.273 7.515 -3.868 1.00 0.00 O ATOM 232 CB ALA A 62 -14.795 6.630 -5.821 1.00 0.00 C ATOM 0 H ALA A 62 -12.674 8.177 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.082 8.568 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.357 6.072 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.449 6.874 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.962 6.023 -6.177 1.00 0.00 H new ATOM 238 N LEU A 63 -14.256 7.547 -2.787 1.00 0.00 N ATOM 239 CA LEU A 63 -13.763 7.353 -1.420 1.00 0.00 C ATOM 240 C LEU A 63 -14.353 6.092 -0.763 1.00 0.00 C ATOM 241 O LEU A 63 -15.503 5.725 -1.013 1.00 0.00 O ATOM 242 CB LEU A 63 -14.105 8.583 -0.551 1.00 0.00 C ATOM 243 CG LEU A 63 -13.587 9.943 -1.048 1.00 0.00 C ATOM 244 CD1 LEU A 63 -14.045 11.048 -0.097 1.00 0.00 C ATOM 245 CD2 LEU A 63 -12.063 9.984 -1.119 1.00 0.00 C ATOM 0 H LEU A 63 -15.274 7.597 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.682 7.227 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.189 8.644 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.710 8.413 0.450 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.990 10.093 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.676 12.010 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.134 11.068 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.652 10.855 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.742 10.963 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.648 9.804 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.710 9.214 -1.806 1.00 0.00 H new ATOM 257 N HIS A 64 -13.585 5.480 0.139 1.00 0.00 N ATOM 258 CA HIS A 64 -14.082 4.506 1.118 1.00 0.00 C ATOM 259 C HIS A 64 -14.946 5.205 2.180 1.00 0.00 C ATOM 260 O HIS A 64 -14.612 6.307 2.621 1.00 0.00 O ATOM 261 CB HIS A 64 -12.892 3.807 1.787 1.00 0.00 C ATOM 262 CG HIS A 64 -12.103 2.879 0.900 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.556 1.652 0.413 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.793 3.043 0.546 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.508 1.108 -0.226 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.439 1.919 -0.168 1.00 0.00 N ATOM 0 H HIS A 64 -12.582 5.649 0.213 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.698 3.767 0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.218 4.569 2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.260 3.239 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.161 3.887 0.780 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.523 0.148 -0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.525 1.735 -0.581 1.00 0.00 H new ATOM 274 N ALA A 65 -16.035 4.566 2.619 1.00 0.00 N ATOM 275 CA ALA A 65 -17.032 5.182 3.509 1.00 0.00 C ATOM 276 C ALA A 65 -16.960 4.726 4.985 1.00 0.00 C ATOM 277 O ALA A 65 -17.528 5.389 5.855 1.00 0.00 O ATOM 278 CB ALA A 65 -18.415 4.913 2.905 1.00 0.00 C ATOM 0 H ALA A 65 -16.253 3.602 2.367 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.818 6.249 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.182 5.357 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.469 5.353 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.579 3.838 2.836 1.00 0.00 H new ATOM 284 N GLU A 66 -16.286 3.605 5.282 1.00 0.00 N ATOM 285 CA GLU A 66 -16.299 2.944 6.603 1.00 0.00 C ATOM 286 C GLU A 66 -14.910 2.428 7.032 1.00 0.00 C ATOM 287 O GLU A 66 -14.020 2.217 6.204 1.00 0.00 O ATOM 288 CB GLU A 66 -17.309 1.778 6.596 1.00 0.00 C ATOM 289 CG GLU A 66 -18.765 2.228 6.408 1.00 0.00 C ATOM 290 CD GLU A 66 -19.729 1.037 6.551 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.031 0.361 5.535 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.206 0.765 7.682 1.00 0.00 O ATOM 0 H GLU A 66 -15.704 3.120 4.599 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.598 3.698 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.046 1.085 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.225 1.230 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.012 2.992 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.886 2.683 5.425 1.00 0.00 H new ATOM 299 N GLY A 67 -14.734 2.200 8.341 1.00 0.00 N ATOM 300 CA GLY A 67 -13.502 1.658 8.931 1.00 0.00 C ATOM 301 C GLY A 67 -12.305 2.630 8.911 1.00 0.00 C ATOM 302 O GLY A 67 -12.487 3.831 8.687 1.00 0.00 O ATOM 0 H GLY A 67 -15.459 2.391 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.704 1.370 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.226 0.750 8.395 1.00 0.00 H new ATOM 306 N PRO A 68 -11.062 2.138 9.107 1.00 0.00 N ATOM 307 CA PRO A 68 -9.848 2.972 9.109 1.00 0.00 C ATOM 308 C PRO A 68 -9.610 3.728 7.790 1.00 0.00 C ATOM 309 O PRO A 68 -8.950 4.769 7.773 1.00 0.00 O ATOM 310 CB PRO A 68 -8.690 2.005 9.388 1.00 0.00 C ATOM 311 CG PRO A 68 -9.233 0.632 8.999 1.00 0.00 C ATOM 312 CD PRO A 68 -10.713 0.742 9.339 1.00 0.00 C ATOM 0 HA PRO A 68 -9.943 3.756 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.808 2.263 8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.395 2.032 10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.076 0.421 7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.748 -0.168 9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.310 0.079 8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.900 0.457 10.374 1.00 0.00 H new ATOM 320 N LEU A 69 -10.164 3.212 6.687 1.00 0.00 N ATOM 321 CA LEU A 69 -10.086 3.788 5.343 1.00 0.00 C ATOM 322 C LEU A 69 -11.153 4.868 5.070 1.00 0.00 C ATOM 323 O LEU A 69 -11.089 5.516 4.025 1.00 0.00 O ATOM 324 CB LEU A 69 -10.118 2.618 4.333 1.00 0.00 C ATOM 325 CG LEU A 69 -8.744 2.190 3.779 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.691 1.963 4.864 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.875 0.876 3.007 1.00 0.00 C ATOM 0 H LEU A 69 -10.701 2.345 6.709 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.151 4.338 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.582 1.757 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.758 2.899 3.496 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.419 3.013 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.750 1.664 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.542 2.885 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.028 1.177 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.899 0.583 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.250 0.099 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.569 1.009 2.177 1.00 0.00 H new ATOM 339 N ALA A 70 -12.107 5.108 5.979 1.00 0.00 N ATOM 340 CA ALA A 70 -13.156 6.112 5.787 1.00 0.00 C ATOM 341 C ALA A 70 -12.577 7.497 5.425 1.00 0.00 C ATOM 342 O ALA A 70 -11.728 8.040 6.139 1.00 0.00 O ATOM 343 CB ALA A 70 -14.028 6.190 7.047 1.00 0.00 C ATOM 0 H ALA A 70 -12.171 4.611 6.867 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.771 5.803 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.808 6.937 6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.486 5.218 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.410 6.470 7.900 1.00 0.00 H new ATOM 349 N GLY A 71 -13.045 8.068 4.309 1.00 0.00 N ATOM 350 CA GLY A 71 -12.582 9.356 3.780 1.00 0.00 C ATOM 351 C GLY A 71 -11.403 9.294 2.807 1.00 0.00 C ATOM 352 O GLY A 71 -10.980 10.345 2.323 1.00 0.00 O ATOM 0 H GLY A 71 -13.772 7.638 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.418 9.842 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.302 9.992 4.620 1.00 0.00 H new ATOM 356 N LEU A 72 -10.861 8.106 2.520 1.00 0.00 N ATOM 357 CA LEU A 72 -9.655 7.929 1.702 1.00 0.00 C ATOM 358 C LEU A 72 -9.978 7.358 0.297 1.00 0.00 C ATOM 359 O LEU A 72 -10.979 6.653 0.161 1.00 0.00 O ATOM 360 CB LEU A 72 -8.680 7.034 2.485 1.00 0.00 C ATOM 361 CG LEU A 72 -8.332 7.449 3.929 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.213 6.539 4.439 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.862 8.900 4.047 1.00 0.00 C ATOM 0 H LEU A 72 -11.254 7.226 2.854 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.193 8.898 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.099 6.028 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.750 6.975 1.919 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.244 7.354 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.954 6.818 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.550 5.503 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.337 6.647 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.634 9.125 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.968 9.043 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.649 9.567 3.696 1.00 0.00 H new ATOM 375 N PRO A 73 -9.161 7.620 -0.748 1.00 0.00 N ATOM 376 CA PRO A 73 -9.380 7.125 -2.117 1.00 0.00 C ATOM 377 C PRO A 73 -9.477 5.604 -2.196 1.00 0.00 C ATOM 378 O PRO A 73 -8.745 4.886 -1.514 1.00 0.00 O ATOM 379 CB PRO A 73 -8.199 7.632 -2.954 1.00 0.00 C ATOM 380 CG PRO A 73 -7.111 7.871 -1.913 1.00 0.00 C ATOM 381 CD PRO A 73 -7.902 8.349 -0.701 1.00 0.00 C ATOM 0 HA PRO A 73 -10.336 7.494 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.889 6.899 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.450 8.546 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.551 6.961 -1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.390 8.618 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.364 8.144 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.070 9.425 -0.741 1.00 0.00 H new ATOM 389 N VAL A 74 -10.340 5.112 -3.084 1.00 0.00 N ATOM 390 CA VAL A 74 -10.460 3.672 -3.355 1.00 0.00 C ATOM 391 C VAL A 74 -9.323 3.178 -4.264 1.00 0.00 C ATOM 392 O VAL A 74 -8.899 2.028 -4.138 1.00 0.00 O ATOM 393 CB VAL A 74 -11.860 3.324 -3.908 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.062 1.815 -4.065 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.964 3.810 -2.961 1.00 0.00 C ATOM 0 H VAL A 74 -10.973 5.692 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.355 3.138 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.920 3.817 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.060 1.620 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.318 1.418 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.952 1.330 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.939 3.552 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.845 3.333 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.894 4.892 -2.845 1.00 0.00 H new ATOM 405 N THR A 75 -8.790 4.039 -5.141 1.00 0.00 N ATOM 406 CA THR A 75 -7.785 3.680 -6.165 1.00 0.00 C ATOM 407 C THR A 75 -6.686 4.736 -6.316 1.00 0.00 C ATOM 408 O THR A 75 -6.829 5.878 -5.874 1.00 0.00 O ATOM 409 CB THR A 75 -8.446 3.425 -7.539 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.657 4.646 -8.220 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.789 2.699 -7.457 1.00 0.00 C ATOM 0 H THR A 75 -9.047 5.026 -5.164 1.00 0.00 H new ATOM 0 HA THR A 75 -7.318 2.761 -5.811 1.00 0.00 H new ATOM 0 HB THR A 75 -7.748 2.781 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.075 4.468 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.188 2.558 -8.461 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.649 1.728 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.488 3.293 -6.869 1.00 0.00 H new ATOM 419 N ARG A 76 -5.589 4.380 -7.007 1.00 0.00 N ATOM 420 CA ARG A 76 -4.529 5.335 -7.398 1.00 0.00 C ATOM 421 C ARG A 76 -5.071 6.464 -8.279 1.00 0.00 C ATOM 422 O ARG A 76 -4.647 7.604 -8.128 1.00 0.00 O ATOM 423 CB ARG A 76 -3.392 4.592 -8.130 1.00 0.00 C ATOM 424 CG ARG A 76 -2.546 3.712 -7.192 1.00 0.00 C ATOM 425 CD ARG A 76 -1.497 2.900 -7.966 1.00 0.00 C ATOM 426 NE ARG A 76 -0.537 3.767 -8.689 1.00 0.00 N ATOM 427 CZ ARG A 76 0.234 3.415 -9.704 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.321 2.181 -10.112 1.00 0.00 N ATOM 429 NH2 ARG A 76 0.937 4.307 -10.340 1.00 0.00 N ATOM 0 H ARG A 76 -5.409 3.423 -7.312 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.141 5.788 -6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.819 3.969 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.744 5.321 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.047 4.341 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.199 3.033 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.953 2.258 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.000 2.246 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.463 4.734 -8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.216 1.450 -9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.926 1.945 -10.899 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.896 5.286 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.529 4.027 -11.122 1.00 0.00 H new ATOM 443 N SER A 77 -6.051 6.175 -9.135 1.00 0.00 N ATOM 444 CA SER A 77 -6.696 7.186 -9.988 1.00 0.00 C ATOM 445 C SER A 77 -7.577 8.140 -9.171 1.00 0.00 C ATOM 446 O SER A 77 -7.500 9.353 -9.365 1.00 0.00 O ATOM 447 CB SER A 77 -7.484 6.511 -11.114 1.00 0.00 C ATOM 448 OG SER A 77 -7.623 7.412 -12.204 1.00 0.00 O ATOM 0 H SER A 77 -6.424 5.234 -9.260 1.00 0.00 H new ATOM 0 HA SER A 77 -5.913 7.795 -10.441 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.970 5.607 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.466 6.207 -10.753 1.00 0.00 H new ATOM 0 HG SER A 77 -8.126 6.978 -12.925 1.00 0.00 H new ATOM 454 N ASP A 78 -8.311 7.639 -8.167 1.00 0.00 N ATOM 455 CA ASP A 78 -9.036 8.508 -7.229 1.00 0.00 C ATOM 456 C ASP A 78 -8.061 9.398 -6.450 1.00 0.00 C ATOM 457 O ASP A 78 -8.272 10.601 -6.367 1.00 0.00 O ATOM 458 CB ASP A 78 -9.909 7.706 -6.253 1.00 0.00 C ATOM 459 CG ASP A 78 -10.973 6.846 -6.940 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.621 7.333 -7.897 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.227 5.727 -6.446 1.00 0.00 O ATOM 0 H ASP A 78 -8.418 6.641 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.697 9.136 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.268 7.062 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.400 8.397 -5.568 1.00 0.00 H new ATOM 466 N ALA A 79 -6.950 8.846 -5.949 1.00 0.00 N ATOM 467 CA ALA A 79 -5.919 9.610 -5.240 1.00 0.00 C ATOM 468 C ALA A 79 -5.292 10.716 -6.115 1.00 0.00 C ATOM 469 O ALA A 79 -5.215 11.875 -5.703 1.00 0.00 O ATOM 470 CB ALA A 79 -4.864 8.613 -4.741 1.00 0.00 C ATOM 0 H ALA A 79 -6.740 7.851 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.371 10.136 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.080 9.150 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.332 7.893 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.430 8.087 -5.591 1.00 0.00 H new ATOM 476 N ARG A 80 -4.914 10.380 -7.355 1.00 0.00 N ATOM 477 CA ARG A 80 -4.388 11.305 -8.378 1.00 0.00 C ATOM 478 C ARG A 80 -5.357 12.454 -8.660 1.00 0.00 C ATOM 479 O ARG A 80 -4.947 13.613 -8.645 1.00 0.00 O ATOM 480 CB ARG A 80 -4.077 10.464 -9.631 1.00 0.00 C ATOM 481 CG ARG A 80 -3.451 11.251 -10.791 1.00 0.00 C ATOM 482 CD ARG A 80 -3.130 10.334 -11.982 1.00 0.00 C ATOM 483 NE ARG A 80 -4.348 9.692 -12.529 1.00 0.00 N ATOM 484 CZ ARG A 80 -5.169 10.158 -13.456 1.00 0.00 C ATOM 485 NH1 ARG A 80 -4.927 11.261 -14.106 1.00 0.00 N ATOM 486 NH2 ARG A 80 -6.267 9.520 -13.742 1.00 0.00 N ATOM 0 H ARG A 80 -4.967 9.418 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.478 11.791 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.401 9.656 -9.351 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.000 10.001 -9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.135 12.038 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.539 11.740 -10.450 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.642 10.914 -12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.424 9.565 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.583 8.777 -12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.082 11.796 -13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.583 11.590 -14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.498 8.657 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.897 9.884 -14.457 1.00 0.00 H new ATOM 500 N VAL A 81 -6.647 12.162 -8.856 1.00 0.00 N ATOM 501 CA VAL A 81 -7.650 13.201 -9.145 1.00 0.00 C ATOM 502 C VAL A 81 -8.072 13.980 -7.890 1.00 0.00 C ATOM 503 O VAL A 81 -8.315 15.178 -8.002 1.00 0.00 O ATOM 504 CB VAL A 81 -8.854 12.650 -9.931 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.810 13.794 -10.289 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.438 12.017 -11.268 1.00 0.00 C ATOM 0 H VAL A 81 -7.025 11.215 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.162 13.924 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.318 11.901 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.660 13.398 -10.845 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.165 14.271 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.286 14.528 -10.902 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.322 11.643 -11.784 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.945 12.766 -11.888 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.751 11.192 -11.082 1.00 0.00 H new ATOM 516 N LEU A 82 -8.066 13.393 -6.686 1.00 0.00 N ATOM 517 CA LEU A 82 -8.235 14.156 -5.436 1.00 0.00 C ATOM 518 C LEU A 82 -7.112 15.189 -5.259 1.00 0.00 C ATOM 519 O LEU A 82 -7.396 16.353 -4.977 1.00 0.00 O ATOM 520 CB LEU A 82 -8.290 13.199 -4.230 1.00 0.00 C ATOM 521 CG LEU A 82 -9.599 12.394 -4.101 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.395 11.277 -3.086 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.783 13.250 -3.652 1.00 0.00 C ATOM 0 H LEU A 82 -7.946 12.390 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.178 14.699 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.456 12.501 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.145 13.778 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.834 12.001 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.316 10.702 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.592 10.622 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.131 11.707 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.675 12.628 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.566 13.688 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.953 14.045 -4.378 1.00 0.00 H new ATOM 535 N ILE A 83 -5.849 14.807 -5.507 1.00 0.00 N ATOM 536 CA ILE A 83 -4.712 15.745 -5.484 1.00 0.00 C ATOM 537 C ILE A 83 -4.859 16.814 -6.579 1.00 0.00 C ATOM 538 O ILE A 83 -4.628 17.993 -6.307 1.00 0.00 O ATOM 539 CB ILE A 83 -3.363 14.995 -5.583 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.136 14.119 -4.327 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.204 16.007 -5.737 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.048 13.052 -4.504 1.00 0.00 C ATOM 0 H ILE A 83 -5.587 13.846 -5.728 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.718 16.261 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.390 14.347 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.867 14.763 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.073 13.629 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.258 15.469 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.353 16.596 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.182 16.670 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.947 12.479 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.324 12.383 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.099 13.535 -4.737 1.00 0.00 H new ATOM 554 N PHE A 84 -5.294 16.445 -7.791 1.00 0.00 N ATOM 555 CA PHE A 84 -5.572 17.427 -8.847 1.00 0.00 C ATOM 556 C PHE A 84 -6.663 18.428 -8.439 1.00 0.00 C ATOM 557 O PHE A 84 -6.450 19.629 -8.564 1.00 0.00 O ATOM 558 CB PHE A 84 -5.970 16.725 -10.154 1.00 0.00 C ATOM 559 CG PHE A 84 -6.402 17.663 -11.274 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.692 18.852 -11.532 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.538 17.360 -12.052 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.080 19.706 -12.577 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.933 18.219 -13.096 1.00 0.00 C ATOM 564 CZ PHE A 84 -7.199 19.387 -13.363 1.00 0.00 C ATOM 0 H PHE A 84 -5.461 15.476 -8.064 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.650 17.987 -9.005 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.126 16.130 -10.502 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.785 16.032 -9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.840 19.109 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.108 16.466 -11.847 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.519 20.607 -12.776 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.801 17.980 -13.692 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.495 20.039 -14.172 1.00 0.00 H new ATOM 574 N ASN A 85 -7.804 17.965 -7.918 1.00 0.00 N ATOM 575 CA ASN A 85 -8.911 18.838 -7.525 1.00 0.00 C ATOM 576 C ASN A 85 -8.524 19.773 -6.358 1.00 0.00 C ATOM 577 O ASN A 85 -8.864 20.957 -6.370 1.00 0.00 O ATOM 578 CB ASN A 85 -10.120 17.952 -7.180 1.00 0.00 C ATOM 579 CG ASN A 85 -11.340 18.781 -6.811 1.00 0.00 C ATOM 580 OD1 ASN A 85 -12.031 19.317 -7.664 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.636 18.930 -5.540 1.00 0.00 N ATOM 0 H ASN A 85 -7.984 16.974 -7.758 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.168 19.498 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.358 17.314 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.863 17.294 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.442 19.493 -5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.060 18.483 -4.826 1.00 0.00 H new ATOM 588 N GLU A 86 -7.768 19.251 -5.382 1.00 0.00 N ATOM 589 CA GLU A 86 -7.172 20.038 -4.299 1.00 0.00 C ATOM 590 C GLU A 86 -6.248 21.132 -4.853 1.00 0.00 C ATOM 591 O GLU A 86 -6.452 22.309 -4.546 1.00 0.00 O ATOM 592 CB GLU A 86 -6.411 19.097 -3.349 1.00 0.00 C ATOM 593 CG GLU A 86 -5.774 19.819 -2.156 1.00 0.00 C ATOM 594 CD GLU A 86 -4.932 18.830 -1.334 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.502 17.983 -0.606 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.683 18.842 -1.431 1.00 0.00 O ATOM 0 H GLU A 86 -7.552 18.256 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.965 20.540 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.097 18.335 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.632 18.580 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.147 20.638 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.550 20.258 -1.529 1.00 0.00 H new ATOM 603 N TRP A 87 -5.279 20.772 -5.709 1.00 0.00 N ATOM 604 CA TRP A 87 -4.432 21.748 -6.386 1.00 0.00 C ATOM 605 C TRP A 87 -5.258 22.771 -7.164 1.00 0.00 C ATOM 606 O TRP A 87 -4.989 23.954 -7.038 1.00 0.00 O ATOM 607 CB TRP A 87 -3.439 21.056 -7.323 1.00 0.00 C ATOM 608 CG TRP A 87 -2.666 22.010 -8.183 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.530 22.644 -7.819 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.996 22.519 -9.515 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.113 23.482 -8.838 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.970 23.426 -9.916 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.063 22.321 -10.424 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -1.973 24.065 -11.162 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.096 22.991 -11.661 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.053 23.855 -12.035 1.00 0.00 C ATOM 0 H TRP A 87 -5.067 19.803 -5.945 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.876 22.279 -5.613 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.741 20.467 -6.729 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.980 20.359 -7.963 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.023 22.516 -6.874 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.278 24.066 -8.797 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.864 21.645 -10.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.156 24.711 -11.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.931 22.840 -12.329 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.082 24.356 -12.991 1.00 0.00 H new ATOM 627 N GLU A 88 -6.270 22.355 -7.927 1.00 0.00 N ATOM 628 CA GLU A 88 -7.062 23.239 -8.783 1.00 0.00 C ATOM 629 C GLU A 88 -7.791 24.318 -7.967 1.00 0.00 C ATOM 630 O GLU A 88 -7.670 25.510 -8.261 1.00 0.00 O ATOM 631 CB GLU A 88 -8.046 22.378 -9.593 1.00 0.00 C ATOM 632 CG GLU A 88 -8.646 23.126 -10.783 1.00 0.00 C ATOM 633 CD GLU A 88 -10.181 22.986 -10.824 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.684 21.946 -11.315 1.00 0.00 O ATOM 635 OE2 GLU A 88 -10.893 23.928 -10.394 1.00 0.00 O ATOM 0 H GLU A 88 -6.567 21.380 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.400 23.773 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.532 21.487 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.850 22.040 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.377 24.181 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.220 22.740 -11.709 1.00 0.00 H new ATOM 642 N GLU A 89 -8.479 23.922 -6.890 1.00 0.00 N ATOM 643 CA GLU A 89 -9.141 24.858 -5.976 1.00 0.00 C ATOM 644 C GLU A 89 -8.131 25.814 -5.311 1.00 0.00 C ATOM 645 O GLU A 89 -8.304 27.038 -5.356 1.00 0.00 O ATOM 646 CB GLU A 89 -9.936 24.059 -4.930 1.00 0.00 C ATOM 647 CG GLU A 89 -10.752 24.967 -4.002 1.00 0.00 C ATOM 648 CD GLU A 89 -11.606 24.130 -3.032 1.00 0.00 C ATOM 649 OE1 GLU A 89 -11.119 23.786 -1.928 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.779 23.819 -3.359 1.00 0.00 O ATOM 0 H GLU A 89 -8.592 22.943 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.828 25.485 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.606 23.366 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.248 23.459 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.081 25.615 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.397 25.615 -4.595 1.00 0.00 H new ATOM 657 N ARG A 90 -7.038 25.267 -4.753 1.00 0.00 N ATOM 658 CA ARG A 90 -5.984 26.069 -4.110 1.00 0.00 C ATOM 659 C ARG A 90 -5.373 27.059 -5.090 1.00 0.00 C ATOM 660 O ARG A 90 -5.370 28.244 -4.810 1.00 0.00 O ATOM 661 CB ARG A 90 -4.876 25.168 -3.552 1.00 0.00 C ATOM 662 CG ARG A 90 -5.315 24.248 -2.410 1.00 0.00 C ATOM 663 CD ARG A 90 -5.175 24.848 -1.001 1.00 0.00 C ATOM 664 NE ARG A 90 -6.106 25.976 -0.776 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.821 27.267 -0.746 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.616 27.736 -0.853 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.745 28.171 -0.641 1.00 0.00 N ATOM 0 H ARG A 90 -6.861 24.263 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.450 26.618 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.482 24.556 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.058 25.796 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.357 23.970 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.729 23.330 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.361 24.072 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.151 25.190 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.084 25.728 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.829 27.098 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.456 28.743 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.725 27.894 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.492 29.159 -0.621 1.00 0.00 H new ATOM 681 N LYS A 91 -4.930 26.574 -6.249 1.00 0.00 N ATOM 682 CA LYS A 91 -4.355 27.361 -7.362 1.00 0.00 C ATOM 683 C LYS A 91 -5.259 28.527 -7.777 1.00 0.00 C ATOM 684 O LYS A 91 -4.771 29.640 -7.966 1.00 0.00 O ATOM 685 CB LYS A 91 -4.082 26.438 -8.568 1.00 0.00 C ATOM 686 CG LYS A 91 -3.284 27.086 -9.711 1.00 0.00 C ATOM 687 CD LYS A 91 -1.817 27.300 -9.313 1.00 0.00 C ATOM 688 CE LYS A 91 -0.948 27.651 -10.530 1.00 0.00 C ATOM 689 NZ LYS A 91 0.492 27.754 -10.153 1.00 0.00 N ATOM 0 H LYS A 91 -4.959 25.576 -6.457 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.418 27.793 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.540 25.559 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.036 26.089 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.334 26.453 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.735 28.042 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.752 28.100 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.432 26.397 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.071 26.890 -11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.283 28.595 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.075 27.789 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.644 28.619 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.762 26.926 -9.585 1.00 0.00 H new ATOM 703 N LYS A 92 -6.572 28.294 -7.893 1.00 0.00 N ATOM 704 CA LYS A 92 -7.556 29.331 -8.259 1.00 0.00 C ATOM 705 C LYS A 92 -7.836 30.338 -7.127 1.00 0.00 C ATOM 706 O LYS A 92 -8.144 31.494 -7.427 1.00 0.00 O ATOM 707 CB LYS A 92 -8.823 28.656 -8.813 1.00 0.00 C ATOM 708 CG LYS A 92 -8.566 28.159 -10.251 1.00 0.00 C ATOM 709 CD LYS A 92 -9.534 27.071 -10.731 1.00 0.00 C ATOM 710 CE LYS A 92 -11.011 27.475 -10.685 1.00 0.00 C ATOM 711 NZ LYS A 92 -11.858 26.386 -11.237 1.00 0.00 N ATOM 0 H LYS A 92 -6.988 27.376 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.127 29.949 -9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.109 27.819 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.654 29.361 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.628 29.008 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.548 27.774 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.276 26.798 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.394 26.181 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.305 27.689 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.163 28.390 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.861 26.619 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.670 26.281 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.637 25.494 -10.751 1.00 0.00 H new ATOM 725 N SER A 93 -7.654 29.959 -5.856 1.00 0.00 N ATOM 726 CA SER A 93 -7.678 30.900 -4.714 1.00 0.00 C ATOM 727 C SER A 93 -6.329 31.593 -4.408 1.00 0.00 C ATOM 728 O SER A 93 -6.316 32.716 -3.906 1.00 0.00 O ATOM 729 CB SER A 93 -8.160 30.174 -3.451 1.00 0.00 C ATOM 730 OG SER A 93 -9.518 29.784 -3.596 1.00 0.00 O ATOM 0 H SER A 93 -7.485 28.991 -5.583 1.00 0.00 H new ATOM 0 HA SER A 93 -8.365 31.692 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.540 29.296 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.052 30.826 -2.584 1.00 0.00 H new ATOM 0 HG SER A 93 -9.814 29.320 -2.785 1.00 0.00 H new ATOM 736 N ASP A 94 -5.201 30.941 -4.701 1.00 0.00 N ATOM 737 CA ASP A 94 -3.829 31.271 -4.303 1.00 0.00 C ATOM 738 C ASP A 94 -2.838 30.746 -5.379 1.00 0.00 C ATOM 739 O ASP A 94 -2.581 29.540 -5.456 1.00 0.00 O ATOM 740 CB ASP A 94 -3.507 30.621 -2.943 1.00 0.00 C ATOM 741 CG ASP A 94 -4.315 31.198 -1.771 1.00 0.00 C ATOM 742 OD1 ASP A 94 -4.079 32.369 -1.389 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.130 30.447 -1.176 1.00 0.00 O ATOM 0 H ASP A 94 -5.226 30.096 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.731 32.353 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.696 29.550 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.444 30.745 -2.735 1.00 0.00 H new ATOM 748 N PRO A 95 -2.256 31.614 -6.229 1.00 0.00 N ATOM 749 CA PRO A 95 -1.650 31.231 -7.518 1.00 0.00 C ATOM 750 C PRO A 95 -0.293 30.504 -7.453 1.00 0.00 C ATOM 751 O PRO A 95 0.159 29.970 -8.467 1.00 0.00 O ATOM 752 CB PRO A 95 -1.538 32.546 -8.301 1.00 0.00 C ATOM 753 CG PRO A 95 -1.405 33.588 -7.194 1.00 0.00 C ATOM 754 CD PRO A 95 -2.378 33.058 -6.149 1.00 0.00 C ATOM 0 HA PRO A 95 -2.282 30.480 -7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.674 32.549 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.417 32.724 -8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.387 33.649 -6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.677 34.586 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.126 33.422 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.398 33.381 -6.358 1.00 0.00 H new ATOM 762 N TRP A 96 0.376 30.460 -6.301 1.00 0.00 N ATOM 763 CA TRP A 96 1.745 29.928 -6.167 1.00 0.00 C ATOM 764 C TRP A 96 1.889 28.408 -6.379 1.00 0.00 C ATOM 765 O TRP A 96 2.980 27.943 -6.721 1.00 0.00 O ATOM 766 CB TRP A 96 2.275 30.285 -4.769 1.00 0.00 C ATOM 767 CG TRP A 96 1.668 29.493 -3.645 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.396 29.612 -3.203 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.263 28.418 -2.854 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.169 28.712 -2.179 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.287 27.947 -1.923 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.526 27.783 -2.834 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.552 26.918 -1.010 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.800 26.741 -1.927 1.00 0.00 C ATOM 775 CH2 TRP A 96 2.820 26.309 -1.014 1.00 0.00 C ATOM 0 H TRP A 96 -0.016 30.795 -5.421 1.00 0.00 H new ATOM 0 HA TRP A 96 2.321 30.390 -6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.355 30.138 -4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.095 31.345 -4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.334 30.307 -3.592 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.714 28.625 -1.676 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.292 28.102 -3.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.793 26.597 -0.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.771 26.269 -1.932 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.041 25.513 -0.319 1.00 0.00 H new ATOM 786 N LEU A 97 0.828 27.620 -6.144 1.00 0.00 N ATOM 787 CA LEU A 97 0.957 26.182 -5.874 1.00 0.00 C ATOM 788 C LEU A 97 1.373 25.346 -7.107 1.00 0.00 C ATOM 789 O LEU A 97 0.903 25.593 -8.220 1.00 0.00 O ATOM 790 CB LEU A 97 -0.366 25.681 -5.258 1.00 0.00 C ATOM 791 CG LEU A 97 -0.295 24.287 -4.601 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.592 24.258 -3.354 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.699 23.869 -4.190 1.00 0.00 C ATOM 0 H LEU A 97 -0.134 27.959 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 97 1.777 26.044 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.696 26.402 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.127 25.660 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 97 0.139 23.608 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.601 23.251 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.607 24.549 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.200 24.954 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.664 22.884 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.101 24.592 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.340 23.830 -5.071 1.00 0.00 H new ATOM 805 N ARG A 98 2.177 24.292 -6.900 1.00 0.00 N ATOM 806 CA ARG A 98 2.563 23.281 -7.912 1.00 0.00 C ATOM 807 C ARG A 98 1.829 21.944 -7.687 1.00 0.00 C ATOM 808 O ARG A 98 1.594 21.550 -6.546 1.00 0.00 O ATOM 809 CB ARG A 98 4.097 23.127 -7.884 1.00 0.00 C ATOM 810 CG ARG A 98 4.648 22.262 -9.031 1.00 0.00 C ATOM 811 CD ARG A 98 6.176 22.132 -8.978 1.00 0.00 C ATOM 812 NE ARG A 98 6.861 23.408 -9.273 1.00 0.00 N ATOM 813 CZ ARG A 98 8.157 23.649 -9.166 1.00 0.00 C ATOM 814 NH1 ARG A 98 9.002 22.738 -8.769 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.637 24.824 -9.464 1.00 0.00 N ATOM 0 H ARG A 98 2.596 24.108 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 98 2.260 23.615 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.554 24.115 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.393 22.686 -6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.199 21.270 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.355 22.699 -9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.474 21.783 -7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.499 21.376 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 98 6.275 24.180 -9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.670 21.804 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.995 22.960 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.012 25.565 -9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.638 25.003 -9.379 1.00 0.00 H new ATOM 829 N LEU A 99 1.461 21.259 -8.775 1.00 0.00 N ATOM 830 CA LEU A 99 0.753 19.968 -8.766 1.00 0.00 C ATOM 831 C LEU A 99 1.778 18.809 -8.838 1.00 0.00 C ATOM 832 O LEU A 99 2.515 18.701 -9.820 1.00 0.00 O ATOM 833 CB LEU A 99 -0.238 19.969 -9.958 1.00 0.00 C ATOM 834 CG LEU A 99 -1.436 18.993 -9.930 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.099 18.979 -11.309 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.058 17.573 -9.587 1.00 0.00 C ATOM 0 H LEU A 99 1.653 21.596 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 99 0.189 19.823 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.637 20.979 -10.055 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.334 19.764 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.105 19.353 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.946 18.293 -11.299 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.448 19.982 -11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.376 18.652 -12.057 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.951 16.949 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.351 17.196 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.598 17.547 -8.599 1.00 0.00 H new ATOM 848 N ASP A 100 1.815 17.931 -7.826 1.00 0.00 N ATOM 849 CA ASP A 100 2.678 16.733 -7.788 1.00 0.00 C ATOM 850 C ASP A 100 1.905 15.489 -7.302 1.00 0.00 C ATOM 851 O ASP A 100 1.374 15.477 -6.190 1.00 0.00 O ATOM 852 CB ASP A 100 3.899 16.988 -6.888 1.00 0.00 C ATOM 853 CG ASP A 100 4.898 17.976 -7.513 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.641 17.573 -8.442 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.980 19.139 -7.049 1.00 0.00 O ATOM 0 H ASP A 100 1.236 18.032 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 100 3.017 16.534 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.562 17.377 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.404 16.042 -6.690 1.00 0.00 H new ATOM 860 N MET A 101 1.828 14.444 -8.138 1.00 0.00 N ATOM 861 CA MET A 101 1.072 13.203 -7.869 1.00 0.00 C ATOM 862 C MET A 101 1.653 11.974 -8.599 1.00 0.00 C ATOM 863 O MET A 101 0.949 11.194 -9.243 1.00 0.00 O ATOM 864 CB MET A 101 -0.450 13.408 -8.065 1.00 0.00 C ATOM 865 CG MET A 101 -0.899 14.384 -9.149 1.00 0.00 C ATOM 866 SD MET A 101 -0.728 13.839 -10.868 1.00 0.00 S ATOM 867 CE MET A 101 -2.145 14.719 -11.583 1.00 0.00 C ATOM 0 H MET A 101 2.299 14.434 -9.043 1.00 0.00 H new ATOM 0 HA MET A 101 1.200 12.966 -6.813 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.894 12.437 -8.283 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.868 13.744 -7.116 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.947 14.627 -8.973 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.333 15.308 -9.029 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.336 14.345 -12.589 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.026 14.556 -10.962 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.926 15.786 -11.628 1.00 0.00 H new ATOM 877 N SER A 102 2.967 11.785 -8.452 1.00 0.00 N ATOM 878 CA SER A 102 3.651 10.519 -8.769 1.00 0.00 C ATOM 879 C SER A 102 3.224 9.397 -7.810 1.00 0.00 C ATOM 880 O SER A 102 2.746 9.659 -6.702 1.00 0.00 O ATOM 881 CB SER A 102 5.175 10.709 -8.713 1.00 0.00 C ATOM 882 OG SER A 102 5.580 11.751 -9.592 1.00 0.00 O ATOM 0 H SER A 102 3.596 12.510 -8.107 1.00 0.00 H new ATOM 0 HA SER A 102 3.363 10.228 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.481 10.946 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.674 9.779 -8.988 1.00 0.00 H new ATOM 0 HG SER A 102 6.553 11.861 -9.543 1.00 0.00 H new ATOM 888 N ASP A 103 3.451 8.136 -8.184 1.00 0.00 N ATOM 889 CA ASP A 103 3.095 6.963 -7.367 1.00 0.00 C ATOM 890 C ASP A 103 3.627 7.051 -5.924 1.00 0.00 C ATOM 891 O ASP A 103 2.882 6.796 -4.978 1.00 0.00 O ATOM 892 CB ASP A 103 3.564 5.681 -8.076 1.00 0.00 C ATOM 893 CG ASP A 103 5.095 5.497 -8.096 1.00 0.00 C ATOM 894 OD1 ASP A 103 5.797 6.322 -8.729 1.00 0.00 O ATOM 895 OD2 ASP A 103 5.601 4.519 -7.497 1.00 0.00 O ATOM 0 H ASP A 103 3.892 7.893 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 103 2.009 6.939 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.112 4.820 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.197 5.691 -9.102 1.00 0.00 H new ATOM 900 N LYS A 104 4.856 7.557 -5.739 1.00 0.00 N ATOM 901 CA LYS A 104 5.444 7.836 -4.419 1.00 0.00 C ATOM 902 C LYS A 104 4.638 8.863 -3.617 1.00 0.00 C ATOM 903 O LYS A 104 4.407 8.644 -2.431 1.00 0.00 O ATOM 904 CB LYS A 104 6.910 8.284 -4.575 1.00 0.00 C ATOM 905 CG LYS A 104 7.802 7.164 -5.136 1.00 0.00 C ATOM 906 CD LYS A 104 9.266 7.617 -5.233 1.00 0.00 C ATOM 907 CE LYS A 104 10.132 6.486 -5.803 1.00 0.00 C ATOM 908 NZ LYS A 104 11.561 6.889 -5.919 1.00 0.00 N ATOM 0 H LYS A 104 5.479 7.787 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 104 5.413 6.908 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.956 9.149 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.296 8.603 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.732 6.285 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.443 6.869 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.340 8.499 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.632 7.904 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.053 5.609 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.755 6.198 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.114 6.099 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.640 7.711 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.929 7.139 -4.979 1.00 0.00 H new ATOM 922 N ALA A 105 4.139 9.934 -4.243 1.00 0.00 N ATOM 923 CA ALA A 105 3.277 10.921 -3.585 1.00 0.00 C ATOM 924 C ALA A 105 1.938 10.309 -3.157 1.00 0.00 C ATOM 925 O ALA A 105 1.469 10.571 -2.049 1.00 0.00 O ATOM 926 CB ALA A 105 3.101 12.132 -4.510 1.00 0.00 C ATOM 0 H ALA A 105 4.323 10.141 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 105 3.754 11.258 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.461 12.870 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.075 12.576 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.642 11.812 -5.446 1.00 0.00 H new ATOM 932 N ILE A 106 1.362 9.424 -3.983 1.00 0.00 N ATOM 933 CA ILE A 106 0.099 8.747 -3.632 1.00 0.00 C ATOM 934 C ILE A 106 0.318 7.792 -2.465 1.00 0.00 C ATOM 935 O ILE A 106 -0.432 7.849 -1.498 1.00 0.00 O ATOM 936 CB ILE A 106 -0.554 8.071 -4.862 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.348 9.104 -5.682 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.540 6.944 -4.490 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.494 10.235 -6.241 1.00 0.00 C ATOM 0 H ILE A 106 1.744 9.160 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.619 9.498 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 106 0.273 7.645 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.844 8.594 -6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.130 9.529 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.961 6.514 -5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.014 6.170 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.343 7.351 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.124 10.922 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.018 10.771 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.272 9.822 -6.897 1.00 0.00 H new ATOM 951 N PHE A 107 1.367 6.969 -2.504 1.00 0.00 N ATOM 952 CA PHE A 107 1.619 6.000 -1.425 1.00 0.00 C ATOM 953 C PHE A 107 2.061 6.671 -0.109 1.00 0.00 C ATOM 954 O PHE A 107 1.749 6.166 0.969 1.00 0.00 O ATOM 955 CB PHE A 107 2.620 4.924 -1.871 1.00 0.00 C ATOM 956 CG PHE A 107 2.309 4.222 -3.181 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.978 3.932 -3.538 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.357 3.814 -4.029 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.695 3.270 -4.742 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.071 3.141 -5.231 1.00 0.00 C ATOM 961 CZ PHE A 107 1.742 2.873 -5.592 1.00 0.00 C ATOM 0 H PHE A 107 2.051 6.950 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 107 0.667 5.513 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.604 5.385 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.686 4.171 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.171 4.221 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.382 4.018 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.329 3.065 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.878 2.830 -5.878 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.524 2.364 -6.519 1.00 0.00 H new ATOM 971 N ARG A 108 2.734 7.834 -0.167 1.00 0.00 N ATOM 972 CA ARG A 108 3.087 8.646 1.012 1.00 0.00 C ATOM 973 C ARG A 108 1.875 9.350 1.634 1.00 0.00 C ATOM 974 O ARG A 108 1.767 9.376 2.860 1.00 0.00 O ATOM 975 CB ARG A 108 4.181 9.660 0.628 1.00 0.00 C ATOM 976 CG ARG A 108 5.584 9.043 0.488 1.00 0.00 C ATOM 977 CD ARG A 108 6.203 8.655 1.838 1.00 0.00 C ATOM 978 NE ARG A 108 7.574 8.136 1.668 1.00 0.00 N ATOM 979 CZ ARG A 108 8.400 7.752 2.627 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.067 7.794 3.887 1.00 0.00 N ATOM 981 NH2 ARG A 108 9.592 7.316 2.335 1.00 0.00 N ATOM 0 H ARG A 108 3.052 8.242 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 108 3.468 7.971 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.908 10.134 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.214 10.446 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.525 8.159 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.239 9.754 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.219 9.524 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.583 7.900 2.322 1.00 0.00 H new ATOM 0 HE ARG A 108 7.921 8.066 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.144 8.131 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.730 7.490 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.894 7.269 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.224 7.021 3.080 1.00 0.00 H new ATOM 995 N ARG A 109 0.950 9.885 0.821 1.00 0.00 N ATOM 996 CA ARG A 109 -0.295 10.512 1.315 1.00 0.00 C ATOM 997 C ARG A 109 -1.315 9.469 1.804 1.00 0.00 C ATOM 998 O ARG A 109 -1.945 9.662 2.844 1.00 0.00 O ATOM 999 CB ARG A 109 -0.873 11.428 0.220 1.00 0.00 C ATOM 1000 CG ARG A 109 -2.096 12.207 0.726 1.00 0.00 C ATOM 1001 CD ARG A 109 -2.736 13.099 -0.343 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.099 14.427 -0.455 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.734 15.577 -0.631 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -4.026 15.653 -0.731 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -2.092 16.700 -0.721 1.00 0.00 N ATOM 0 H ARG A 109 1.040 9.897 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.059 11.121 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.106 12.128 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.155 10.829 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.841 11.501 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.799 12.825 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.680 12.595 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.793 13.229 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.082 14.462 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.593 14.807 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.475 16.559 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.074 16.712 -0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.605 17.571 -0.856 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.453 8.369 1.064 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.464 7.324 1.243 1.00 0.00 C ATOM 1021 C TYR A 110 -1.790 5.931 1.312 1.00 0.00 C ATOM 1022 O TYR A 110 -1.572 5.291 0.277 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.474 7.426 0.090 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.125 8.780 -0.124 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -5.018 9.302 0.830 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.884 9.491 -1.315 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.703 10.508 0.575 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.585 10.684 -1.585 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.505 11.191 -0.643 1.00 0.00 C ATOM 1030 OH TYR A 110 -6.164 12.354 -0.908 1.00 0.00 O ATOM 0 H TYR A 110 -0.830 8.171 0.281 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.996 7.460 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.968 7.141 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.262 6.692 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.179 8.778 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -3.159 9.121 -2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.381 10.909 1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -4.418 11.210 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.903 12.684 -1.793 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.437 5.433 2.513 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.563 4.262 2.673 1.00 0.00 C ATOM 1042 C PRO A 111 -1.199 2.924 2.256 1.00 0.00 C ATOM 1043 O PRO A 111 -0.481 1.941 2.060 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.150 4.268 4.150 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.313 4.971 4.845 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.728 6.020 3.816 1.00 0.00 C ATOM 0 HA PRO A 111 0.290 4.342 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -0.008 3.257 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.789 4.801 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.126 4.282 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.008 5.426 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.787 6.262 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.175 6.949 3.959 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.526 2.870 2.088 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.265 1.660 1.703 1.00 0.00 C ATOM 1056 C HIS A 112 -3.247 1.354 0.190 1.00 0.00 C ATOM 1057 O HIS A 112 -3.742 0.296 -0.209 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.686 1.743 2.280 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.547 2.826 1.680 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.334 4.202 1.811 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.617 2.615 0.862 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.293 4.783 1.072 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.086 3.861 0.507 1.00 0.00 N ATOM 0 H HIS A 112 -3.129 3.682 2.218 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.747 0.803 2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.180 0.782 2.134 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.618 1.906 3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.018 1.661 0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.410 5.850 0.949 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.896 4.049 -0.083 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.683 2.233 -0.658 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.671 2.045 -2.124 1.00 0.00 C ATOM 1073 C LEU A 113 -1.476 1.217 -2.645 1.00 0.00 C ATOM 1074 O LEU A 113 -1.630 0.559 -3.680 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.775 3.398 -2.872 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.175 4.033 -2.997 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.203 3.135 -3.681 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.740 4.389 -1.643 1.00 0.00 C ATOM 0 H LEU A 113 -2.224 3.090 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.560 1.454 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.125 4.113 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.377 3.259 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.013 4.919 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.161 3.652 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.865 2.898 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.317 2.213 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.727 4.834 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.822 3.488 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.080 5.102 -1.149 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.310 1.233 -1.970 1.00 0.00 N ATOM 1091 CA ARG A 114 0.869 0.443 -2.379 1.00 0.00 C ATOM 1092 C ARG A 114 0.639 -1.075 -2.271 1.00 0.00 C ATOM 1093 O ARG A 114 0.929 -1.795 -3.258 1.00 0.00 O ATOM 1094 CB ARG A 114 2.113 0.890 -1.596 1.00 0.00 C ATOM 1095 CG ARG A 114 3.402 0.381 -2.264 1.00 0.00 C ATOM 1096 CD ARG A 114 4.670 0.935 -1.603 1.00 0.00 C ATOM 1097 NE ARG A 114 4.871 0.401 -0.242 1.00 0.00 N ATOM 1098 CZ ARG A 114 5.909 0.619 0.544 1.00 0.00 C ATOM 1099 NH1 ARG A 114 6.903 1.381 0.186 1.00 0.00 N ATOM 1100 NH2 ARG A 114 5.970 0.066 1.720 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.190 -1.555 -1.203 1.00 0.00 O ATOM 0 H ARG A 114 -0.159 1.791 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 114 1.039 0.641 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.137 1.978 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.057 0.515 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.422 -0.708 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.395 0.660 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.535 0.689 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.609 2.022 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 114 4.133 -0.197 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.896 1.832 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.688 1.526 0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.214 -0.539 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.774 0.238 2.323 1.00 0.00 H new TER 1115 ARG A 114