USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 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 96 GLN : amide:sc= -0.0462 K(o=-0.32,f=-0.88) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.276 X(o=-0.32,f=-0.27) USER MOD Set 2.1: A 75 THR OG1 : rot -91:sc= 1.08 USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0.926 USER MOD Set 3.1: A 59 HIS : no HD1:sc= 0.895 K(o=0.93,f=-2.9) USER MOD Set 3.2: A 61 TYR OH : rot 52:sc= 0.033 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0747 (180deg=-0.515) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0182 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0453 X(o=-0.045,f=-0.3) USER MOD Single : A 5 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-1) USER MOD Single : A 7 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 9 SER OG : rot 24:sc= 0.0253 USER MOD Single : A 10 HIS : no HE2:sc= -0.204 K(o=-0.2,f=-0.94) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 150:sc= 0.13 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00416 USER MOD Single : A 35 SER OG : rot -50:sc= -0.228 USER MOD Single : A 41 SER OG : rot 180:sc= -0.211 USER MOD Single : A 43 SER OG : rot -49:sc= 0.384 USER MOD Single : A 51 CYS SG : rot -150:sc= -2.72 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.308 K(o=0.31,f=-0.34) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.051) USER MOD Single : A 76 SER OG : rot 180:sc= 0.135 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 98 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.8!) USER MOD Single : A 103 CYS SG : rot 43:sc= -0.767! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.845 -27.018 -30.307 1.00 0.00 N ATOM 2 CA MET A 1 9.181 -25.798 -30.815 1.00 0.00 C ATOM 3 C MET A 1 8.055 -25.393 -29.848 1.00 0.00 C ATOM 4 O MET A 1 7.309 -26.254 -29.368 1.00 0.00 O ATOM 5 CB MET A 1 8.639 -26.022 -32.260 1.00 0.00 C ATOM 6 CG MET A 1 7.595 -27.148 -32.415 1.00 0.00 C ATOM 7 SD MET A 1 7.032 -27.367 -34.124 1.00 0.00 S ATOM 8 CE MET A 1 8.552 -27.858 -34.938 1.00 0.00 C ATOM 0 H1 MET A 1 9.982 -27.690 -31.089 1.00 0.00 H new ATOM 0 H2 MET A 1 10.769 -26.767 -29.900 1.00 0.00 H new ATOM 0 H3 MET A 1 9.252 -27.457 -29.574 1.00 0.00 H new ATOM 0 HA MET A 1 9.907 -24.986 -30.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.196 -25.090 -32.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.482 -26.241 -32.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.024 -28.084 -32.057 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.736 -26.928 -31.781 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.318 -28.329 -35.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.173 -26.979 -35.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.090 -28.565 -34.307 1.00 0.00 H new ATOM 20 N GLY A 2 7.949 -24.093 -29.550 1.00 0.00 N ATOM 21 CA GLY A 2 6.952 -23.598 -28.612 1.00 0.00 C ATOM 22 C GLY A 2 7.312 -22.225 -28.083 1.00 0.00 C ATOM 23 O GLY A 2 6.451 -21.339 -28.033 1.00 0.00 O ATOM 0 H GLY A 2 8.546 -23.369 -29.949 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.980 -23.555 -29.103 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.858 -24.295 -27.780 1.00 0.00 H new ATOM 27 N HIS A 3 8.611 -22.048 -27.714 1.00 0.00 N ATOM 28 CA HIS A 3 9.153 -20.789 -27.131 1.00 0.00 C ATOM 29 C HIS A 3 8.489 -20.487 -25.761 1.00 0.00 C ATOM 30 O HIS A 3 7.897 -21.389 -25.149 1.00 0.00 O ATOM 31 CB HIS A 3 9.023 -19.593 -28.124 1.00 0.00 C ATOM 32 CG HIS A 3 9.820 -19.730 -29.398 1.00 0.00 C ATOM 33 ND1 HIS A 3 10.750 -18.802 -29.813 1.00 0.00 N ATOM 34 CD2 HIS A 3 9.796 -20.680 -30.362 1.00 0.00 C ATOM 35 CE1 HIS A 3 11.260 -19.177 -30.968 1.00 0.00 C ATOM 36 NE2 HIS A 3 10.697 -20.312 -31.323 1.00 0.00 N ATOM 0 H HIS A 3 9.315 -22.779 -27.814 1.00 0.00 H new ATOM 0 HA HIS A 3 10.219 -20.930 -26.954 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.972 -19.468 -28.383 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.336 -18.682 -27.614 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.179 -21.566 -30.371 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.013 -18.643 -31.529 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.900 -20.833 -32.176 1.00 0.00 H new ATOM 45 N HIS A 4 8.605 -19.235 -25.263 1.00 0.00 N ATOM 46 CA HIS A 4 7.964 -18.820 -24.000 1.00 0.00 C ATOM 47 C HIS A 4 7.439 -17.376 -24.116 1.00 0.00 C ATOM 48 O HIS A 4 8.219 -16.428 -24.286 1.00 0.00 O ATOM 49 CB HIS A 4 8.929 -18.988 -22.784 1.00 0.00 C ATOM 50 CG HIS A 4 10.224 -18.208 -22.872 1.00 0.00 C ATOM 51 ND1 HIS A 4 10.382 -16.940 -22.346 1.00 0.00 N ATOM 52 CD2 HIS A 4 11.422 -18.525 -23.424 1.00 0.00 C ATOM 53 CE1 HIS A 4 11.613 -16.520 -22.570 1.00 0.00 C ATOM 54 NE2 HIS A 4 12.261 -17.461 -23.223 1.00 0.00 N ATOM 0 H HIS A 4 9.138 -18.495 -25.720 1.00 0.00 H new ATOM 0 HA HIS A 4 7.113 -19.476 -23.818 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.402 -18.685 -21.879 1.00 0.00 H new ATOM 0 HB3 HIS A 4 9.168 -20.046 -22.675 1.00 0.00 H new ATOM 0 HD2 HIS A 4 11.669 -19.447 -23.929 1.00 0.00 H new ATOM 0 HE1 HIS A 4 12.020 -15.566 -22.269 1.00 0.00 H new ATOM 0 HE2 HIS A 4 13.232 -17.407 -23.530 1.00 0.00 H new ATOM 63 N HIS A 5 6.098 -17.233 -24.096 1.00 0.00 N ATOM 64 CA HIS A 5 5.419 -15.922 -23.972 1.00 0.00 C ATOM 65 C HIS A 5 5.336 -15.515 -22.490 1.00 0.00 C ATOM 66 O HIS A 5 5.947 -16.174 -21.631 1.00 0.00 O ATOM 67 CB HIS A 5 4.001 -15.961 -24.623 1.00 0.00 C ATOM 68 CG HIS A 5 4.006 -15.907 -26.128 1.00 0.00 C ATOM 69 ND1 HIS A 5 3.117 -16.603 -26.910 1.00 0.00 N ATOM 70 CD2 HIS A 5 4.758 -15.174 -26.986 1.00 0.00 C ATOM 71 CE1 HIS A 5 3.317 -16.304 -28.180 1.00 0.00 C ATOM 72 NE2 HIS A 5 4.309 -15.441 -28.253 1.00 0.00 N ATOM 0 H HIS A 5 5.454 -18.021 -24.165 1.00 0.00 H new ATOM 0 HA HIS A 5 6.003 -15.174 -24.508 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.494 -16.872 -24.306 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.417 -15.123 -24.243 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.562 -14.504 -26.720 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.761 -16.700 -29.017 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.682 -15.037 -29.112 1.00 0.00 H new ATOM 81 N HIS A 6 4.598 -14.408 -22.217 1.00 0.00 N ATOM 82 CA HIS A 6 4.405 -13.852 -20.866 1.00 0.00 C ATOM 83 C HIS A 6 5.722 -13.227 -20.355 1.00 0.00 C ATOM 84 O HIS A 6 6.583 -13.915 -19.788 1.00 0.00 O ATOM 85 CB HIS A 6 3.813 -14.918 -19.888 1.00 0.00 C ATOM 86 CG HIS A 6 3.774 -14.513 -18.439 1.00 0.00 C ATOM 87 ND1 HIS A 6 4.774 -14.836 -17.545 1.00 0.00 N ATOM 88 CD2 HIS A 6 2.849 -13.837 -17.728 1.00 0.00 C ATOM 89 CE1 HIS A 6 4.464 -14.375 -16.355 1.00 0.00 C ATOM 90 NE2 HIS A 6 3.300 -13.765 -16.438 1.00 0.00 N ATOM 0 H HIS A 6 4.118 -13.875 -22.942 1.00 0.00 H new ATOM 0 HA HIS A 6 3.666 -13.052 -20.914 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.799 -15.157 -20.208 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.399 -15.833 -19.976 1.00 0.00 H new ATOM 0 HD2 HIS A 6 1.924 -13.428 -18.106 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.061 -14.478 -15.461 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.813 -13.312 -15.665 1.00 0.00 H new ATOM 99 N HIS A 7 5.884 -11.924 -20.648 1.00 0.00 N ATOM 100 CA HIS A 7 7.014 -11.100 -20.179 1.00 0.00 C ATOM 101 C HIS A 7 6.935 -10.952 -18.647 1.00 0.00 C ATOM 102 O HIS A 7 7.908 -11.191 -17.929 1.00 0.00 O ATOM 103 CB HIS A 7 6.952 -9.712 -20.883 1.00 0.00 C ATOM 104 CG HIS A 7 7.951 -8.675 -20.399 1.00 0.00 C ATOM 105 ND1 HIS A 7 9.163 -8.446 -21.012 1.00 0.00 N ATOM 106 CD2 HIS A 7 7.883 -7.780 -19.372 1.00 0.00 C ATOM 107 CE1 HIS A 7 9.794 -7.465 -20.388 1.00 0.00 C ATOM 108 NE2 HIS A 7 9.041 -7.048 -19.397 1.00 0.00 N ATOM 0 H HIS A 7 5.223 -11.405 -21.226 1.00 0.00 H new ATOM 0 HA HIS A 7 7.963 -11.575 -20.427 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.103 -9.862 -21.952 1.00 0.00 H new ATOM 0 HB3 HIS A 7 5.948 -9.307 -20.757 1.00 0.00 H new ATOM 0 HD2 HIS A 7 7.069 -7.669 -18.671 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.766 -7.073 -20.650 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.280 -6.298 -18.748 1.00 0.00 H new ATOM 117 N HIS A 8 5.738 -10.548 -18.197 1.00 0.00 N ATOM 118 CA HIS A 8 5.370 -10.355 -16.790 1.00 0.00 C ATOM 119 C HIS A 8 3.859 -10.070 -16.770 1.00 0.00 C ATOM 120 O HIS A 8 3.057 -10.974 -16.526 1.00 0.00 O ATOM 121 CB HIS A 8 6.181 -9.190 -16.103 1.00 0.00 C ATOM 122 CG HIS A 8 7.304 -9.640 -15.202 1.00 0.00 C ATOM 123 ND1 HIS A 8 8.623 -9.347 -15.442 1.00 0.00 N ATOM 124 CD2 HIS A 8 7.286 -10.334 -14.037 1.00 0.00 C ATOM 125 CE1 HIS A 8 9.365 -9.839 -14.478 1.00 0.00 C ATOM 126 NE2 HIS A 8 8.582 -10.443 -13.609 1.00 0.00 N ATOM 0 H HIS A 8 4.968 -10.338 -18.832 1.00 0.00 H new ATOM 0 HA HIS A 8 5.615 -11.248 -16.215 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.594 -8.548 -16.881 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.490 -8.581 -15.520 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.412 -10.728 -13.539 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.440 -9.761 -14.409 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.890 -10.914 -12.758 1.00 0.00 H new ATOM 135 N SER A 9 3.508 -8.807 -17.086 1.00 0.00 N ATOM 136 CA SER A 9 2.129 -8.324 -17.263 1.00 0.00 C ATOM 137 C SER A 9 2.189 -6.814 -17.512 1.00 0.00 C ATOM 138 O SER A 9 2.846 -6.088 -16.749 1.00 0.00 O ATOM 139 CB SER A 9 1.221 -8.624 -16.036 1.00 0.00 C ATOM 140 OG SER A 9 1.776 -8.117 -14.831 1.00 0.00 O ATOM 0 H SER A 9 4.202 -8.073 -17.229 1.00 0.00 H new ATOM 0 HA SER A 9 1.685 -8.850 -18.108 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.237 -8.184 -16.196 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.077 -9.701 -15.945 1.00 0.00 H new ATOM 0 HG SER A 9 2.388 -7.380 -15.037 1.00 0.00 H new ATOM 146 N HIS A 10 1.532 -6.334 -18.583 1.00 0.00 N ATOM 147 CA HIS A 10 1.421 -4.882 -18.854 1.00 0.00 C ATOM 148 C HIS A 10 0.132 -4.331 -18.198 1.00 0.00 C ATOM 149 O HIS A 10 -0.750 -3.761 -18.853 1.00 0.00 O ATOM 150 CB HIS A 10 1.526 -4.570 -20.375 1.00 0.00 C ATOM 151 CG HIS A 10 0.488 -5.214 -21.252 1.00 0.00 C ATOM 152 ND1 HIS A 10 -0.735 -4.638 -21.521 1.00 0.00 N ATOM 153 CD2 HIS A 10 0.511 -6.371 -21.944 1.00 0.00 C ATOM 154 CE1 HIS A 10 -1.414 -5.412 -22.336 1.00 0.00 C ATOM 155 NE2 HIS A 10 -0.681 -6.472 -22.608 1.00 0.00 N ATOM 0 H HIS A 10 1.070 -6.924 -19.275 1.00 0.00 H new ATOM 0 HA HIS A 10 2.266 -4.363 -18.401 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.467 -3.490 -20.509 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.511 -4.881 -20.723 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -1.062 -3.748 -21.145 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.320 -7.086 -21.969 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.404 -5.213 -22.718 1.00 0.00 H new ATOM 164 N MET A 11 0.068 -4.506 -16.863 1.00 0.00 N ATOM 165 CA MET A 11 -1.093 -4.155 -16.029 1.00 0.00 C ATOM 166 C MET A 11 -0.668 -4.166 -14.536 1.00 0.00 C ATOM 167 O MET A 11 -1.313 -4.791 -13.680 1.00 0.00 O ATOM 168 CB MET A 11 -2.291 -5.124 -16.306 1.00 0.00 C ATOM 169 CG MET A 11 -2.001 -6.612 -16.060 1.00 0.00 C ATOM 170 SD MET A 11 -3.436 -7.666 -16.363 1.00 0.00 S ATOM 171 CE MET A 11 -2.792 -9.282 -15.939 1.00 0.00 C ATOM 0 H MET A 11 0.839 -4.903 -16.326 1.00 0.00 H new ATOM 0 HA MET A 11 -1.438 -3.152 -16.282 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.131 -4.826 -15.678 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.607 -4.999 -17.342 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.181 -6.929 -16.705 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.668 -6.747 -15.031 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.570 -10.032 -16.079 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.943 -9.516 -16.582 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.470 -9.283 -14.898 1.00 0.00 H new ATOM 181 N SER A 12 0.415 -3.434 -14.240 1.00 0.00 N ATOM 182 CA SER A 12 1.004 -3.355 -12.884 1.00 0.00 C ATOM 183 C SER A 12 0.037 -2.749 -11.852 1.00 0.00 C ATOM 184 O SER A 12 -0.825 -1.936 -12.194 1.00 0.00 O ATOM 185 CB SER A 12 2.304 -2.524 -12.923 1.00 0.00 C ATOM 186 OG SER A 12 2.941 -2.499 -11.656 1.00 0.00 O ATOM 0 H SER A 12 0.914 -2.876 -14.933 1.00 0.00 H new ATOM 0 HA SER A 12 1.218 -4.377 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.983 -2.943 -13.665 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.077 -1.505 -13.238 1.00 0.00 H new ATOM 0 HG SER A 12 3.910 -2.417 -11.779 1.00 0.00 H new ATOM 192 N TRP A 13 0.209 -3.140 -10.572 1.00 0.00 N ATOM 193 CA TRP A 13 -0.464 -2.496 -9.424 1.00 0.00 C ATOM 194 C TRP A 13 0.401 -1.348 -8.861 1.00 0.00 C ATOM 195 O TRP A 13 0.105 -0.804 -7.806 1.00 0.00 O ATOM 196 CB TRP A 13 -0.804 -3.545 -8.313 1.00 0.00 C ATOM 197 CG TRP A 13 0.222 -4.651 -8.115 1.00 0.00 C ATOM 198 CD1 TRP A 13 0.059 -5.965 -8.451 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.556 -4.546 -7.562 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.181 -6.674 -8.135 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.113 -5.836 -7.597 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.326 -3.502 -7.040 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.400 -6.110 -7.145 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.606 -3.774 -6.589 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.127 -5.070 -6.639 1.00 0.00 C ATOM 0 H TRP A 13 0.819 -3.912 -10.305 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.404 -2.070 -9.775 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.930 -3.018 -7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.764 -4.003 -8.553 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.829 -6.382 -8.902 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.304 -7.676 -8.279 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.928 -2.499 -6.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.809 -7.108 -7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.212 -2.972 -6.192 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.125 -5.253 -6.270 1.00 0.00 H new ATOM 216 N TYR A 14 1.429 -0.953 -9.623 1.00 0.00 N ATOM 217 CA TYR A 14 2.364 0.117 -9.268 1.00 0.00 C ATOM 218 C TYR A 14 2.169 1.234 -10.296 1.00 0.00 C ATOM 219 O TYR A 14 2.358 1.002 -11.495 1.00 0.00 O ATOM 220 CB TYR A 14 3.836 -0.391 -9.261 1.00 0.00 C ATOM 221 CG TYR A 14 4.877 0.736 -9.104 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.957 1.486 -7.934 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.755 1.072 -10.137 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.861 2.519 -7.803 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.667 2.103 -10.004 1.00 0.00 C ATOM 226 CZ TYR A 14 6.712 2.824 -8.836 1.00 0.00 C ATOM 227 OH TYR A 14 7.600 3.866 -8.706 1.00 0.00 O ATOM 0 H TYR A 14 1.637 -1.381 -10.525 1.00 0.00 H new ATOM 0 HA TYR A 14 2.165 0.480 -8.260 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.961 -1.106 -8.448 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.031 -0.928 -10.190 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.297 1.254 -7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.721 0.514 -11.061 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.900 3.089 -6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.340 2.340 -10.814 1.00 0.00 H new ATOM 0 HH TYR A 14 8.130 3.948 -9.526 1.00 0.00 H new ATOM 237 N HIS A 15 1.749 2.430 -9.845 1.00 0.00 N ATOM 238 CA HIS A 15 1.399 3.545 -10.736 1.00 0.00 C ATOM 239 C HIS A 15 2.101 4.825 -10.269 1.00 0.00 C ATOM 240 O HIS A 15 1.558 5.581 -9.452 1.00 0.00 O ATOM 241 CB HIS A 15 -0.145 3.758 -10.746 1.00 0.00 C ATOM 242 CG HIS A 15 -0.955 2.532 -11.087 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.215 2.148 -12.380 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.542 1.601 -10.295 1.00 0.00 C ATOM 245 CE1 HIS A 15 -1.919 1.033 -12.377 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.132 0.681 -11.125 1.00 0.00 N ATOM 0 H HIS A 15 1.644 2.648 -8.854 1.00 0.00 H new ATOM 0 HA HIS A 15 1.728 3.307 -11.747 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.454 4.117 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.384 4.544 -11.463 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.545 1.586 -9.215 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.262 0.500 -13.251 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.652 -0.143 -10.822 1.00 0.00 H new ATOM 255 N ARG A 16 3.339 5.036 -10.738 1.00 0.00 N ATOM 256 CA ARG A 16 4.028 6.331 -10.589 1.00 0.00 C ATOM 257 C ARG A 16 3.388 7.350 -11.555 1.00 0.00 C ATOM 258 O ARG A 16 2.712 6.936 -12.518 1.00 0.00 O ATOM 259 CB ARG A 16 5.549 6.182 -10.858 1.00 0.00 C ATOM 260 CG ARG A 16 5.914 5.873 -12.323 1.00 0.00 C ATOM 261 CD ARG A 16 7.426 5.748 -12.546 1.00 0.00 C ATOM 262 NE ARG A 16 7.758 5.518 -13.964 1.00 0.00 N ATOM 263 CZ ARG A 16 8.968 5.206 -14.437 1.00 0.00 C ATOM 264 NH1 ARG A 16 10.021 5.079 -13.629 1.00 0.00 N ATOM 265 NH2 ARG A 16 9.111 5.001 -15.737 1.00 0.00 N ATOM 0 H ARG A 16 3.887 4.327 -11.225 1.00 0.00 H new ATOM 0 HA ARG A 16 3.916 6.688 -9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.049 7.103 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.941 5.386 -10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.429 4.945 -12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.521 6.662 -12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.920 6.656 -12.201 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.814 4.926 -11.945 1.00 0.00 H new ATOM 0 HE ARG A 16 7.000 5.604 -14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.913 5.221 -12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.934 4.840 -14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.306 5.082 -16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.026 4.762 -16.118 1.00 0.00 H new ATOM 279 N ASP A 17 3.577 8.671 -11.298 1.00 0.00 N ATOM 280 CA ASP A 17 2.961 9.759 -12.104 1.00 0.00 C ATOM 281 C ASP A 17 1.408 9.714 -11.991 1.00 0.00 C ATOM 282 O ASP A 17 0.675 10.179 -12.865 1.00 0.00 O ATOM 283 CB ASP A 17 3.487 9.699 -13.575 1.00 0.00 C ATOM 284 CG ASP A 17 3.108 10.908 -14.447 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.508 12.042 -14.120 1.00 0.00 O ATOM 286 OD2 ASP A 17 2.451 10.723 -15.497 1.00 0.00 O ATOM 0 H ASP A 17 4.157 9.011 -10.531 1.00 0.00 H new ATOM 0 HA ASP A 17 3.260 10.729 -11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.573 9.611 -13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.103 8.794 -14.046 1.00 0.00 H new ATOM 291 N LEU A 18 0.940 9.155 -10.857 1.00 0.00 N ATOM 292 CA LEU A 18 -0.478 9.041 -10.480 1.00 0.00 C ATOM 293 C LEU A 18 -0.594 9.531 -9.032 1.00 0.00 C ATOM 294 O LEU A 18 0.068 8.982 -8.162 1.00 0.00 O ATOM 295 CB LEU A 18 -0.939 7.559 -10.661 1.00 0.00 C ATOM 296 CG LEU A 18 -2.406 7.186 -10.219 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.031 6.124 -11.148 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.457 6.695 -8.748 1.00 0.00 C ATOM 0 H LEU A 18 1.564 8.757 -10.155 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.130 9.647 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.831 7.301 -11.714 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.250 6.924 -10.105 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.993 8.101 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.041 5.894 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.068 6.509 -12.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.426 5.218 -11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.485 6.448 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.831 5.809 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.091 7.482 -8.089 1.00 0.00 H new ATOM 310 N SER A 19 -1.448 10.537 -8.771 1.00 0.00 N ATOM 311 CA SER A 19 -1.524 11.205 -7.449 1.00 0.00 C ATOM 312 C SER A 19 -2.293 10.321 -6.447 1.00 0.00 C ATOM 313 O SER A 19 -3.029 9.423 -6.867 1.00 0.00 O ATOM 314 CB SER A 19 -2.206 12.585 -7.598 1.00 0.00 C ATOM 315 OG SER A 19 -3.481 12.470 -8.218 1.00 0.00 O ATOM 0 H SER A 19 -2.101 10.911 -9.460 1.00 0.00 H new ATOM 0 HA SER A 19 -0.515 11.354 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.317 13.045 -6.616 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.571 13.245 -8.189 1.00 0.00 H new ATOM 0 HG SER A 19 -3.888 13.358 -8.297 1.00 0.00 H new ATOM 321 N ARG A 20 -2.127 10.568 -5.123 1.00 0.00 N ATOM 322 CA ARG A 20 -2.843 9.791 -4.083 1.00 0.00 C ATOM 323 C ARG A 20 -4.362 10.041 -4.160 1.00 0.00 C ATOM 324 O ARG A 20 -5.154 9.138 -3.877 1.00 0.00 O ATOM 325 CB ARG A 20 -2.326 10.104 -2.650 1.00 0.00 C ATOM 326 CG ARG A 20 -2.733 11.490 -2.091 1.00 0.00 C ATOM 327 CD ARG A 20 -2.386 11.681 -0.613 1.00 0.00 C ATOM 328 NE ARG A 20 -2.845 12.996 -0.114 1.00 0.00 N ATOM 329 CZ ARG A 20 -3.572 13.204 0.998 1.00 0.00 C ATOM 330 NH1 ARG A 20 -4.006 12.184 1.733 1.00 0.00 N ATOM 331 NH2 ARG A 20 -3.872 14.439 1.365 1.00 0.00 N ATOM 0 H ARG A 20 -1.510 11.292 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.641 8.739 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.694 9.334 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.238 10.035 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.239 12.267 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.806 11.625 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.846 10.887 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.308 11.595 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.587 13.817 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.788 11.227 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.556 12.359 2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.552 15.229 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.423 14.601 2.208 1.00 0.00 H new ATOM 345 N ALA A 21 -4.737 11.285 -4.523 1.00 0.00 N ATOM 346 CA ALA A 21 -6.133 11.676 -4.787 1.00 0.00 C ATOM 347 C ALA A 21 -6.735 10.792 -5.898 1.00 0.00 C ATOM 348 O ALA A 21 -7.830 10.233 -5.743 1.00 0.00 O ATOM 349 CB ALA A 21 -6.195 13.166 -5.160 1.00 0.00 C ATOM 0 H ALA A 21 -4.073 12.050 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.727 11.526 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.229 13.450 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.803 13.764 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.596 13.343 -6.054 1.00 0.00 H new ATOM 355 N ALA A 22 -5.967 10.642 -6.996 1.00 0.00 N ATOM 356 CA ALA A 22 -6.345 9.780 -8.133 1.00 0.00 C ATOM 357 C ALA A 22 -6.340 8.291 -7.742 1.00 0.00 C ATOM 358 O ALA A 22 -7.137 7.511 -8.262 1.00 0.00 O ATOM 359 CB ALA A 22 -5.401 10.026 -9.322 1.00 0.00 C ATOM 0 H ALA A 22 -5.071 11.113 -7.119 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.362 10.040 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.690 9.385 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.466 11.070 -9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.377 9.798 -9.027 1.00 0.00 H new ATOM 365 N ALA A 23 -5.426 7.921 -6.819 1.00 0.00 N ATOM 366 CA ALA A 23 -5.260 6.530 -6.346 1.00 0.00 C ATOM 367 C ALA A 23 -6.504 6.050 -5.589 1.00 0.00 C ATOM 368 O ALA A 23 -7.162 5.113 -6.023 1.00 0.00 O ATOM 369 CB ALA A 23 -4.010 6.400 -5.457 1.00 0.00 C ATOM 0 H ALA A 23 -4.782 8.579 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.130 5.896 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.908 5.368 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.126 6.684 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.109 7.055 -4.592 1.00 0.00 H new ATOM 375 N GLU A 24 -6.808 6.719 -4.460 1.00 0.00 N ATOM 376 CA GLU A 24 -7.951 6.370 -3.585 1.00 0.00 C ATOM 377 C GLU A 24 -9.302 6.518 -4.298 1.00 0.00 C ATOM 378 O GLU A 24 -10.265 5.846 -3.947 1.00 0.00 O ATOM 379 CB GLU A 24 -7.934 7.249 -2.316 1.00 0.00 C ATOM 380 CG GLU A 24 -8.077 8.767 -2.581 1.00 0.00 C ATOM 381 CD GLU A 24 -8.054 9.610 -1.303 1.00 0.00 C ATOM 382 OE1 GLU A 24 -7.017 9.617 -0.608 1.00 0.00 O ATOM 383 OE2 GLU A 24 -9.064 10.263 -0.981 1.00 0.00 O ATOM 0 H GLU A 24 -6.269 7.518 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.837 5.321 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.743 6.931 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.001 7.073 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.269 9.092 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.011 8.950 -3.112 1.00 0.00 H new ATOM 390 N GLU A 25 -9.353 7.435 -5.278 1.00 0.00 N ATOM 391 CA GLU A 25 -10.544 7.632 -6.115 1.00 0.00 C ATOM 392 C GLU A 25 -10.748 6.403 -7.013 1.00 0.00 C ATOM 393 O GLU A 25 -11.832 5.826 -7.053 1.00 0.00 O ATOM 394 CB GLU A 25 -10.404 8.903 -6.974 1.00 0.00 C ATOM 395 CG GLU A 25 -11.676 9.298 -7.758 1.00 0.00 C ATOM 396 CD GLU A 25 -12.894 9.616 -6.873 1.00 0.00 C ATOM 397 OE1 GLU A 25 -12.925 10.702 -6.258 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.828 8.789 -6.784 1.00 0.00 O ATOM 0 H GLU A 25 -8.577 8.055 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.413 7.755 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.121 9.733 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.588 8.758 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.453 10.169 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.937 8.486 -8.436 1.00 0.00 H new ATOM 405 N LEU A 26 -9.659 6.012 -7.702 1.00 0.00 N ATOM 406 CA LEU A 26 -9.625 4.835 -8.599 1.00 0.00 C ATOM 407 C LEU A 26 -9.997 3.566 -7.802 1.00 0.00 C ATOM 408 O LEU A 26 -10.754 2.731 -8.287 1.00 0.00 O ATOM 409 CB LEU A 26 -8.207 4.733 -9.253 1.00 0.00 C ATOM 410 CG LEU A 26 -8.012 3.795 -10.495 1.00 0.00 C ATOM 411 CD1 LEU A 26 -7.853 2.317 -10.105 1.00 0.00 C ATOM 412 CD2 LEU A 26 -9.143 3.999 -11.520 1.00 0.00 C ATOM 0 H LEU A 26 -8.769 6.507 -7.653 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.356 4.940 -9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.907 5.738 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.510 4.407 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.073 4.083 -10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.721 1.715 -11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.981 2.202 -9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.744 1.983 -9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.986 3.338 -12.372 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.102 3.769 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.144 5.035 -11.860 1.00 0.00 H new ATOM 424 N LEU A 27 -9.492 3.482 -6.559 1.00 0.00 N ATOM 425 CA LEU A 27 -9.773 2.374 -5.631 1.00 0.00 C ATOM 426 C LEU A 27 -11.270 2.373 -5.256 1.00 0.00 C ATOM 427 O LEU A 27 -11.928 1.350 -5.373 1.00 0.00 O ATOM 428 CB LEU A 27 -8.868 2.490 -4.361 1.00 0.00 C ATOM 429 CG LEU A 27 -7.334 2.271 -4.572 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.554 2.492 -3.259 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.029 0.886 -5.189 1.00 0.00 C ATOM 0 H LEU A 27 -8.871 4.189 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.543 1.426 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.014 3.479 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.218 1.765 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.994 3.019 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.490 2.333 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.715 3.511 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.905 1.788 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.953 0.775 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.397 0.103 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.522 0.803 -6.158 1.00 0.00 H new ATOM 443 N ALA A 28 -11.797 3.561 -4.878 1.00 0.00 N ATOM 444 CA ALA A 28 -13.192 3.737 -4.380 1.00 0.00 C ATOM 445 C ALA A 28 -14.240 3.386 -5.445 1.00 0.00 C ATOM 446 O ALA A 28 -15.331 2.913 -5.131 1.00 0.00 O ATOM 447 CB ALA A 28 -13.401 5.174 -3.861 1.00 0.00 C ATOM 0 H ALA A 28 -11.268 4.432 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.332 3.038 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.424 5.286 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.706 5.371 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.221 5.883 -4.670 1.00 0.00 H new ATOM 453 N ARG A 29 -13.894 3.628 -6.705 1.00 0.00 N ATOM 454 CA ARG A 29 -14.760 3.337 -7.850 1.00 0.00 C ATOM 455 C ARG A 29 -14.662 1.851 -8.239 1.00 0.00 C ATOM 456 O ARG A 29 -15.674 1.223 -8.578 1.00 0.00 O ATOM 457 CB ARG A 29 -14.328 4.251 -9.028 1.00 0.00 C ATOM 458 CG ARG A 29 -14.609 5.760 -8.788 1.00 0.00 C ATOM 459 CD ARG A 29 -13.730 6.685 -9.643 1.00 0.00 C ATOM 460 NE ARG A 29 -13.788 6.371 -11.081 1.00 0.00 N ATOM 461 CZ ARG A 29 -14.122 7.228 -12.055 1.00 0.00 C ATOM 462 NH1 ARG A 29 -14.605 8.432 -11.769 1.00 0.00 N ATOM 463 NH2 ARG A 29 -14.002 6.846 -13.323 1.00 0.00 N ATOM 0 H ARG A 29 -12.996 4.036 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.801 3.535 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.262 4.114 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.849 3.933 -9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.658 5.966 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.449 5.989 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.043 7.718 -9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.697 6.612 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.553 5.418 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.726 8.715 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.855 9.073 -12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.659 5.911 -13.544 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.253 7.488 -14.075 1.00 0.00 H new ATOM 477 N ALA A 30 -13.439 1.293 -8.162 1.00 0.00 N ATOM 478 CA ALA A 30 -13.132 -0.036 -8.712 1.00 0.00 C ATOM 479 C ALA A 30 -13.393 -1.186 -7.717 1.00 0.00 C ATOM 480 O ALA A 30 -14.282 -2.013 -7.949 1.00 0.00 O ATOM 481 CB ALA A 30 -11.678 -0.045 -9.179 1.00 0.00 C ATOM 0 H ALA A 30 -12.642 1.750 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.806 -0.215 -9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.434 -1.025 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.538 0.716 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.023 0.167 -8.334 1.00 0.00 H new ATOM 487 N GLY A 31 -12.646 -1.216 -6.591 1.00 0.00 N ATOM 488 CA GLY A 31 -12.705 -2.334 -5.637 1.00 0.00 C ATOM 489 C GLY A 31 -13.419 -1.948 -4.341 1.00 0.00 C ATOM 490 O GLY A 31 -14.196 -2.737 -3.800 1.00 0.00 O ATOM 0 H GLY A 31 -11.996 -0.476 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.221 -3.176 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.693 -2.668 -5.407 1.00 0.00 H new ATOM 494 N ARG A 32 -13.124 -0.720 -3.852 1.00 0.00 N ATOM 495 CA ARG A 32 -13.827 -0.064 -2.712 1.00 0.00 C ATOM 496 C ARG A 32 -13.790 -0.883 -1.378 1.00 0.00 C ATOM 497 O ARG A 32 -14.509 -0.562 -0.415 1.00 0.00 O ATOM 498 CB ARG A 32 -15.275 0.262 -3.206 1.00 0.00 C ATOM 499 CG ARG A 32 -16.185 1.097 -2.274 1.00 0.00 C ATOM 500 CD ARG A 32 -17.513 1.490 -2.963 1.00 0.00 C ATOM 501 NE ARG A 32 -18.151 0.342 -3.653 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.362 -0.178 -3.387 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.094 0.262 -2.364 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.826 -1.161 -4.148 1.00 0.00 N ATOM 0 H ARG A 32 -12.379 -0.143 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.304 0.852 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.194 0.790 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.780 -0.682 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.400 0.526 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.657 1.998 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.201 1.892 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.324 2.285 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.618 -0.096 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.738 1.007 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.010 -0.146 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.265 -1.513 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.743 -1.564 -3.957 1.00 0.00 H new ATOM 518 N ASP A 33 -12.864 -1.863 -1.274 1.00 0.00 N ATOM 519 CA ASP A 33 -12.906 -2.895 -0.216 1.00 0.00 C ATOM 520 C ASP A 33 -11.652 -3.795 -0.318 1.00 0.00 C ATOM 521 O ASP A 33 -11.585 -4.672 -1.197 1.00 0.00 O ATOM 522 CB ASP A 33 -14.208 -3.738 -0.354 1.00 0.00 C ATOM 523 CG ASP A 33 -14.364 -4.798 0.737 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.640 -4.423 1.885 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.189 -6.000 0.456 1.00 0.00 O ATOM 0 H ASP A 33 -12.075 -1.960 -1.914 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.909 -2.416 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.069 -3.070 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.214 -4.227 -1.328 1.00 0.00 H new ATOM 530 N GLY A 34 -10.627 -3.505 0.515 1.00 0.00 N ATOM 531 CA GLY A 34 -9.379 -4.297 0.545 1.00 0.00 C ATOM 532 C GLY A 34 -8.519 -4.042 -0.694 1.00 0.00 C ATOM 533 O GLY A 34 -7.660 -4.859 -1.057 1.00 0.00 O ATOM 0 H GLY A 34 -10.641 -2.728 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.810 -4.047 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.622 -5.358 0.608 1.00 0.00 H new ATOM 537 N SER A 35 -8.781 -2.890 -1.344 1.00 0.00 N ATOM 538 CA SER A 35 -8.190 -2.510 -2.628 1.00 0.00 C ATOM 539 C SER A 35 -6.889 -1.735 -2.414 1.00 0.00 C ATOM 540 O SER A 35 -6.909 -0.658 -1.825 1.00 0.00 O ATOM 541 CB SER A 35 -9.207 -1.657 -3.402 1.00 0.00 C ATOM 542 OG SER A 35 -10.472 -2.289 -3.408 1.00 0.00 O ATOM 0 H SER A 35 -9.424 -2.188 -0.977 1.00 0.00 H new ATOM 0 HA SER A 35 -7.950 -3.406 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.288 -0.671 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.863 -1.507 -4.425 1.00 0.00 H new ATOM 0 HG SER A 35 -10.370 -3.222 -3.691 1.00 0.00 H new ATOM 548 N PHE A 36 -5.773 -2.253 -2.924 1.00 0.00 N ATOM 549 CA PHE A 36 -4.445 -1.673 -2.669 1.00 0.00 C ATOM 550 C PHE A 36 -3.707 -1.384 -3.976 1.00 0.00 C ATOM 551 O PHE A 36 -4.023 -1.949 -5.020 1.00 0.00 O ATOM 552 CB PHE A 36 -3.594 -2.619 -1.778 1.00 0.00 C ATOM 553 CG PHE A 36 -3.222 -3.967 -2.426 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.120 -5.035 -2.421 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.979 -4.162 -3.039 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.787 -6.245 -3.002 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.655 -5.375 -3.620 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.556 -6.415 -3.601 1.00 0.00 C ATOM 0 H PHE A 36 -5.757 -3.080 -3.521 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.593 -0.730 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.676 -2.102 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.142 -2.815 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.088 -4.915 -1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.263 -3.354 -3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.494 -7.061 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.692 -5.506 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.300 -7.362 -4.054 1.00 0.00 H new ATOM 568 N LEU A 37 -2.728 -0.495 -3.897 1.00 0.00 N ATOM 569 CA LEU A 37 -1.756 -0.273 -4.963 1.00 0.00 C ATOM 570 C LEU A 37 -0.474 0.308 -4.365 1.00 0.00 C ATOM 571 O LEU A 37 -0.451 0.751 -3.213 1.00 0.00 O ATOM 572 CB LEU A 37 -2.355 0.616 -6.117 1.00 0.00 C ATOM 573 CG LEU A 37 -3.014 2.000 -5.749 1.00 0.00 C ATOM 574 CD1 LEU A 37 -1.985 3.090 -5.388 1.00 0.00 C ATOM 575 CD2 LEU A 37 -3.955 2.482 -6.886 1.00 0.00 C ATOM 0 H LEU A 37 -2.583 0.101 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.506 -1.225 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.555 0.811 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.107 0.021 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.604 1.828 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.506 4.016 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.400 2.767 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.321 3.259 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.399 3.439 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.383 2.599 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.745 1.747 -7.041 1.00 0.00 H new ATOM 587 N VAL A 38 0.586 0.276 -5.155 1.00 0.00 N ATOM 588 CA VAL A 38 1.846 0.938 -4.860 1.00 0.00 C ATOM 589 C VAL A 38 1.980 2.060 -5.899 1.00 0.00 C ATOM 590 O VAL A 38 1.365 1.992 -6.970 1.00 0.00 O ATOM 591 CB VAL A 38 3.072 -0.063 -4.905 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.385 0.622 -4.427 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.779 -1.331 -4.059 1.00 0.00 C ATOM 0 H VAL A 38 0.594 -0.225 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 38 1.852 1.336 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 38 3.213 -0.364 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.206 -0.094 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.609 1.471 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.261 0.970 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.635 -2.004 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.598 -1.044 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.898 -1.837 -4.454 1.00 0.00 H new ATOM 603 N ARG A 39 2.717 3.102 -5.566 1.00 0.00 N ATOM 604 CA ARG A 39 2.883 4.275 -6.427 1.00 0.00 C ATOM 605 C ARG A 39 4.167 5.007 -6.044 1.00 0.00 C ATOM 606 O ARG A 39 4.928 4.523 -5.205 1.00 0.00 O ATOM 607 CB ARG A 39 1.637 5.208 -6.322 1.00 0.00 C ATOM 608 CG ARG A 39 1.239 5.609 -4.886 1.00 0.00 C ATOM 609 CD ARG A 39 0.078 6.617 -4.870 1.00 0.00 C ATOM 610 NE ARG A 39 0.444 7.836 -5.609 1.00 0.00 N ATOM 611 CZ ARG A 39 0.857 8.988 -5.067 1.00 0.00 C ATOM 612 NH1 ARG A 39 0.873 9.154 -3.754 1.00 0.00 N ATOM 613 NH2 ARG A 39 1.255 9.973 -5.860 1.00 0.00 N ATOM 0 H ARG A 39 3.225 3.166 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 39 2.965 3.958 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.832 6.115 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.789 4.710 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.953 4.718 -4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.101 6.041 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.809 6.167 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.177 6.871 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 39 0.377 7.800 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.568 8.398 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.190 10.038 -3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.244 9.849 -6.872 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.572 10.855 -5.458 1.00 0.00 H new ATOM 627 N ASP A 40 4.438 6.129 -6.711 1.00 0.00 N ATOM 628 CA ASP A 40 5.546 7.021 -6.338 1.00 0.00 C ATOM 629 C ASP A 40 5.016 8.066 -5.349 1.00 0.00 C ATOM 630 O ASP A 40 4.003 8.724 -5.632 1.00 0.00 O ATOM 631 CB ASP A 40 6.148 7.702 -7.590 1.00 0.00 C ATOM 632 CG ASP A 40 7.295 8.687 -7.277 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.412 8.233 -6.947 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.093 9.913 -7.381 1.00 0.00 O ATOM 0 H ASP A 40 3.903 6.447 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 40 6.343 6.443 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.518 6.932 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.357 8.236 -8.116 1.00 0.00 H new ATOM 639 N SER A 41 5.670 8.171 -4.181 1.00 0.00 N ATOM 640 CA SER A 41 5.373 9.203 -3.178 1.00 0.00 C ATOM 641 C SER A 41 5.519 10.617 -3.790 1.00 0.00 C ATOM 642 O SER A 41 6.334 10.840 -4.684 1.00 0.00 O ATOM 643 CB SER A 41 6.274 9.008 -1.944 1.00 0.00 C ATOM 644 OG SER A 41 6.060 7.746 -1.345 1.00 0.00 O ATOM 0 H SER A 41 6.422 7.539 -3.906 1.00 0.00 H new ATOM 0 HA SER A 41 4.337 9.103 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.320 9.101 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.075 9.796 -1.218 1.00 0.00 H new ATOM 0 HG SER A 41 6.647 7.650 -0.566 1.00 0.00 H new ATOM 650 N GLU A 42 4.704 11.552 -3.306 1.00 0.00 N ATOM 651 CA GLU A 42 4.468 12.840 -3.971 1.00 0.00 C ATOM 652 C GLU A 42 5.624 13.830 -3.736 1.00 0.00 C ATOM 653 O GLU A 42 5.641 14.563 -2.737 1.00 0.00 O ATOM 654 CB GLU A 42 3.096 13.395 -3.506 1.00 0.00 C ATOM 655 CG GLU A 42 1.953 12.384 -3.725 1.00 0.00 C ATOM 656 CD GLU A 42 0.576 12.847 -3.245 1.00 0.00 C ATOM 657 OE1 GLU A 42 0.399 13.033 -2.025 1.00 0.00 O ATOM 658 OE2 GLU A 42 -0.343 13.007 -4.085 1.00 0.00 O ATOM 0 H GLU A 42 4.184 11.440 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 42 4.436 12.693 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.151 13.655 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.875 14.314 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.891 12.154 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.206 11.456 -3.212 1.00 0.00 H new ATOM 665 N SER A 43 6.618 13.756 -4.654 1.00 0.00 N ATOM 666 CA SER A 43 7.766 14.672 -4.746 1.00 0.00 C ATOM 667 C SER A 43 8.697 14.543 -3.516 1.00 0.00 C ATOM 668 O SER A 43 9.421 15.483 -3.164 1.00 0.00 O ATOM 669 CB SER A 43 7.287 16.134 -4.986 1.00 0.00 C ATOM 670 OG SER A 43 8.372 17.000 -5.298 1.00 0.00 O ATOM 0 H SER A 43 6.637 13.031 -5.371 1.00 0.00 H new ATOM 0 HA SER A 43 8.364 14.385 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.563 16.150 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.774 16.499 -4.096 1.00 0.00 H new ATOM 0 HG SER A 43 9.093 16.868 -4.648 1.00 0.00 H new ATOM 676 N VAL A 44 8.706 13.334 -2.902 1.00 0.00 N ATOM 677 CA VAL A 44 9.502 13.051 -1.690 1.00 0.00 C ATOM 678 C VAL A 44 11.002 12.978 -2.032 1.00 0.00 C ATOM 679 O VAL A 44 11.744 13.914 -1.698 1.00 0.00 O ATOM 680 CB VAL A 44 9.011 11.754 -0.938 1.00 0.00 C ATOM 681 CG1 VAL A 44 9.910 11.401 0.288 1.00 0.00 C ATOM 682 CG2 VAL A 44 7.530 11.923 -0.512 1.00 0.00 C ATOM 0 H VAL A 44 8.165 12.535 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 44 9.351 13.880 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 44 9.092 10.917 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.530 10.501 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.932 11.228 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.897 12.227 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.196 11.025 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.438 12.782 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.913 12.082 -1.396 1.00 0.00 H new ATOM 692 N ALA A 45 11.435 11.901 -2.728 1.00 0.00 N ATOM 693 CA ALA A 45 12.860 11.682 -3.095 1.00 0.00 C ATOM 694 C ALA A 45 13.006 10.449 -4.018 1.00 0.00 C ATOM 695 O ALA A 45 14.032 9.760 -3.996 1.00 0.00 O ATOM 696 CB ALA A 45 13.712 11.492 -1.822 1.00 0.00 C ATOM 0 H ALA A 45 10.812 11.161 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 45 13.214 12.560 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.753 11.332 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.636 12.382 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.349 10.627 -1.267 1.00 0.00 H new ATOM 702 N GLY A 46 12.006 10.222 -4.878 1.00 0.00 N ATOM 703 CA GLY A 46 11.884 8.964 -5.640 1.00 0.00 C ATOM 704 C GLY A 46 11.439 7.787 -4.778 1.00 0.00 C ATOM 705 O GLY A 46 11.868 6.652 -4.984 1.00 0.00 O ATOM 0 H GLY A 46 11.263 10.895 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.169 9.104 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.844 8.729 -6.099 1.00 0.00 H new ATOM 709 N ALA A 47 10.562 8.076 -3.808 1.00 0.00 N ATOM 710 CA ALA A 47 10.117 7.105 -2.794 1.00 0.00 C ATOM 711 C ALA A 47 8.861 6.366 -3.274 1.00 0.00 C ATOM 712 O ALA A 47 8.206 6.815 -4.215 1.00 0.00 O ATOM 713 CB ALA A 47 9.863 7.848 -1.472 1.00 0.00 C ATOM 0 H ALA A 47 10.137 8.997 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 47 10.891 6.355 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.533 7.138 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.784 8.329 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.092 8.604 -1.622 1.00 0.00 H new ATOM 719 N PHE A 48 8.526 5.240 -2.624 1.00 0.00 N ATOM 720 CA PHE A 48 7.324 4.440 -2.951 1.00 0.00 C ATOM 721 C PHE A 48 6.236 4.721 -1.904 1.00 0.00 C ATOM 722 O PHE A 48 6.555 5.026 -0.770 1.00 0.00 O ATOM 723 CB PHE A 48 7.653 2.918 -2.942 1.00 0.00 C ATOM 724 CG PHE A 48 8.711 2.479 -3.956 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.365 2.238 -5.285 1.00 0.00 C ATOM 726 CD2 PHE A 48 10.044 2.299 -3.582 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.312 1.836 -6.206 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.990 1.898 -4.507 1.00 0.00 C ATOM 729 CZ PHE A 48 10.623 1.669 -5.818 1.00 0.00 C ATOM 0 H PHE A 48 9.077 4.855 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 48 6.979 4.719 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.991 2.641 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.735 2.362 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.340 2.368 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.340 2.475 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.025 1.652 -7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.018 1.764 -4.204 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.364 1.359 -6.540 1.00 0.00 H new ATOM 739 N ALA A 49 4.959 4.665 -2.301 1.00 0.00 N ATOM 740 CA ALA A 49 3.813 4.781 -1.379 1.00 0.00 C ATOM 741 C ALA A 49 2.867 3.602 -1.611 1.00 0.00 C ATOM 742 O ALA A 49 2.594 3.250 -2.753 1.00 0.00 O ATOM 743 CB ALA A 49 3.087 6.124 -1.591 1.00 0.00 C ATOM 0 H ALA A 49 4.686 4.537 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 49 4.166 4.756 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.244 6.194 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.779 6.945 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.724 6.183 -2.617 1.00 0.00 H new ATOM 749 N LEU A 50 2.361 3.017 -0.520 1.00 0.00 N ATOM 750 CA LEU A 50 1.439 1.866 -0.555 1.00 0.00 C ATOM 751 C LEU A 50 0.079 2.357 -0.053 1.00 0.00 C ATOM 752 O LEU A 50 -0.096 2.583 1.141 1.00 0.00 O ATOM 753 CB LEU A 50 1.985 0.695 0.321 1.00 0.00 C ATOM 754 CG LEU A 50 1.052 -0.562 0.474 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.748 -1.239 -0.880 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.636 -1.570 1.488 1.00 0.00 C ATOM 0 H LEU A 50 2.580 3.330 0.426 1.00 0.00 H new ATOM 0 HA LEU A 50 1.343 1.476 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.934 0.366 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.198 1.085 1.316 1.00 0.00 H new ATOM 0 HG LEU A 50 0.100 -0.203 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.101 -2.101 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.249 -0.528 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.680 -1.567 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.969 -2.428 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.616 -1.904 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.736 -1.090 2.462 1.00 0.00 H new ATOM 768 N CYS A 51 -0.861 2.557 -0.984 1.00 0.00 N ATOM 769 CA CYS A 51 -2.188 3.127 -0.705 1.00 0.00 C ATOM 770 C CYS A 51 -3.218 1.992 -0.726 1.00 0.00 C ATOM 771 O CYS A 51 -3.465 1.390 -1.770 1.00 0.00 O ATOM 772 CB CYS A 51 -2.531 4.205 -1.765 1.00 0.00 C ATOM 773 SG CYS A 51 -1.254 5.467 -1.939 1.00 0.00 S ATOM 0 H CYS A 51 -0.721 2.325 -1.967 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.198 3.605 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.687 3.720 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.471 4.685 -1.494 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.800 6.591 -2.297 1.00 0.00 H new ATOM 779 N VAL A 52 -3.811 1.718 0.438 1.00 0.00 N ATOM 780 CA VAL A 52 -4.761 0.614 0.643 1.00 0.00 C ATOM 781 C VAL A 52 -6.096 1.240 1.069 1.00 0.00 C ATOM 782 O VAL A 52 -6.107 2.216 1.818 1.00 0.00 O ATOM 783 CB VAL A 52 -4.254 -0.406 1.750 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.159 -1.674 1.823 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.761 -0.783 1.538 1.00 0.00 C ATOM 0 H VAL A 52 -3.644 2.265 1.282 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.866 0.044 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.329 0.100 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.780 -2.348 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.179 -1.379 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.151 -2.182 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.449 -1.482 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.638 -1.248 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.147 0.116 1.592 1.00 0.00 H new ATOM 795 N LEU A 53 -7.209 0.692 0.588 1.00 0.00 N ATOM 796 CA LEU A 53 -8.558 1.215 0.844 1.00 0.00 C ATOM 797 C LEU A 53 -9.440 0.099 1.390 1.00 0.00 C ATOM 798 O LEU A 53 -9.324 -1.048 0.963 1.00 0.00 O ATOM 799 CB LEU A 53 -9.186 1.781 -0.460 1.00 0.00 C ATOM 800 CG LEU A 53 -10.661 2.299 -0.325 1.00 0.00 C ATOM 801 CD1 LEU A 53 -10.756 3.577 0.526 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.311 2.497 -1.687 1.00 0.00 C ATOM 0 H LEU A 53 -7.204 -0.141 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.486 2.022 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.562 2.600 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.160 1.003 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.216 1.523 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.797 3.895 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.376 3.376 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.163 4.366 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.332 2.856 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.740 3.228 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.327 1.548 -2.224 1.00 0.00 H new ATOM 814 N TYR A 54 -10.338 0.465 2.305 1.00 0.00 N ATOM 815 CA TYR A 54 -11.343 -0.430 2.858 1.00 0.00 C ATOM 816 C TYR A 54 -12.526 0.420 3.327 1.00 0.00 C ATOM 817 O TYR A 54 -12.390 1.154 4.303 1.00 0.00 O ATOM 818 CB TYR A 54 -10.756 -1.254 4.030 1.00 0.00 C ATOM 819 CG TYR A 54 -11.692 -2.347 4.550 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.793 -3.561 3.879 1.00 0.00 C ATOM 821 CD2 TYR A 54 -12.479 -2.167 5.694 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.631 -4.553 4.328 1.00 0.00 C ATOM 823 CE2 TYR A 54 -13.324 -3.161 6.142 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.394 -4.353 5.455 1.00 0.00 C ATOM 825 OH TYR A 54 -14.233 -5.355 5.896 1.00 0.00 O ATOM 0 H TYR A 54 -10.384 1.410 2.687 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.673 -1.139 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.822 -1.713 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.512 -0.578 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.203 -3.727 2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.423 -1.234 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.691 -5.491 3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.926 -3.006 7.025 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.701 -5.058 6.704 1.00 0.00 H new ATOM 835 N GLN A 55 -13.662 0.319 2.602 1.00 0.00 N ATOM 836 CA GLN A 55 -14.928 1.025 2.919 1.00 0.00 C ATOM 837 C GLN A 55 -14.711 2.521 3.256 1.00 0.00 C ATOM 838 O GLN A 55 -14.806 2.929 4.426 1.00 0.00 O ATOM 839 CB GLN A 55 -15.692 0.282 4.063 1.00 0.00 C ATOM 840 CG GLN A 55 -16.077 -1.172 3.731 1.00 0.00 C ATOM 841 CD GLN A 55 -17.040 -1.311 2.546 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.851 -0.421 2.273 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.970 -2.436 1.838 1.00 0.00 N ATOM 0 H GLN A 55 -13.728 -0.263 1.767 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.545 1.007 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.072 0.285 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.598 0.840 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.170 -1.736 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.533 -1.625 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.290 -3.154 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.597 -2.580 1.046 1.00 0.00 H new ATOM 852 N LYS A 56 -14.379 3.311 2.208 1.00 0.00 N ATOM 853 CA LYS A 56 -14.108 4.773 2.308 1.00 0.00 C ATOM 854 C LYS A 56 -12.978 5.134 3.319 1.00 0.00 C ATOM 855 O LYS A 56 -12.880 6.287 3.747 1.00 0.00 O ATOM 856 CB LYS A 56 -15.418 5.553 2.657 1.00 0.00 C ATOM 857 CG LYS A 56 -16.571 5.356 1.656 1.00 0.00 C ATOM 858 CD LYS A 56 -17.841 6.141 2.070 1.00 0.00 C ATOM 859 CE LYS A 56 -19.020 5.932 1.099 1.00 0.00 C ATOM 860 NZ LYS A 56 -20.194 6.764 1.459 1.00 0.00 N ATOM 0 H LYS A 56 -14.290 2.952 1.258 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.749 5.079 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.757 5.243 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.186 6.616 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.251 5.681 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.809 4.295 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.142 5.832 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.604 7.204 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.701 6.175 0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.308 4.881 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -20.963 6.592 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.515 6.515 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.928 7.769 1.433 1.00 0.00 H new ATOM 874 N HIS A 57 -12.103 4.166 3.657 1.00 0.00 N ATOM 875 CA HIS A 57 -10.995 4.390 4.627 1.00 0.00 C ATOM 876 C HIS A 57 -9.648 4.019 3.985 1.00 0.00 C ATOM 877 O HIS A 57 -9.358 2.843 3.756 1.00 0.00 O ATOM 878 CB HIS A 57 -11.223 3.595 5.936 1.00 0.00 C ATOM 879 CG HIS A 57 -10.257 3.925 7.048 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.007 3.073 8.100 1.00 0.00 N ATOM 881 CD2 HIS A 57 -9.490 5.024 7.277 1.00 0.00 C ATOM 882 CE1 HIS A 57 -9.138 3.624 8.922 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.809 4.805 8.445 1.00 0.00 N ATOM 0 H HIS A 57 -12.136 3.220 3.277 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.977 5.448 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.238 3.782 6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.153 2.530 5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.429 5.905 6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.760 3.182 9.832 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.151 5.454 8.876 1.00 0.00 H new ATOM 892 N VAL A 58 -8.844 5.053 3.697 1.00 0.00 N ATOM 893 CA VAL A 58 -7.531 4.929 3.048 1.00 0.00 C ATOM 894 C VAL A 58 -6.416 4.867 4.116 1.00 0.00 C ATOM 895 O VAL A 58 -6.543 5.445 5.201 1.00 0.00 O ATOM 896 CB VAL A 58 -7.266 6.132 2.053 1.00 0.00 C ATOM 897 CG1 VAL A 58 -5.951 5.942 1.245 1.00 0.00 C ATOM 898 CG2 VAL A 58 -8.470 6.320 1.102 1.00 0.00 C ATOM 0 H VAL A 58 -9.094 6.018 3.913 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.526 4.006 2.469 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.147 7.034 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.810 6.790 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.108 5.878 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.013 5.024 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.272 7.151 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.623 5.409 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.365 6.533 1.686 1.00 0.00 H new ATOM 908 N HIS A 59 -5.354 4.124 3.789 1.00 0.00 N ATOM 909 CA HIS A 59 -4.125 4.019 4.586 1.00 0.00 C ATOM 910 C HIS A 59 -2.934 4.039 3.610 1.00 0.00 C ATOM 911 O HIS A 59 -2.771 3.099 2.824 1.00 0.00 O ATOM 912 CB HIS A 59 -4.129 2.741 5.504 1.00 0.00 C ATOM 913 CG HIS A 59 -4.187 3.056 6.982 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.213 2.671 7.879 1.00 0.00 N ATOM 915 CD2 HIS A 59 -5.100 3.750 7.707 1.00 0.00 C ATOM 916 CE1 HIS A 59 -3.522 3.103 9.082 1.00 0.00 C ATOM 917 NE2 HIS A 59 -4.662 3.763 9.006 1.00 0.00 N ATOM 0 H HIS A 59 -5.324 3.562 2.938 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.049 4.862 5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.983 2.117 5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.232 2.156 5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.003 4.207 7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.942 2.945 9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.140 4.211 9.788 1.00 0.00 H new ATOM 926 N THR A 60 -2.110 5.101 3.651 1.00 0.00 N ATOM 927 CA THR A 60 -0.958 5.271 2.746 1.00 0.00 C ATOM 928 C THR A 60 0.325 5.053 3.555 1.00 0.00 C ATOM 929 O THR A 60 0.413 5.496 4.708 1.00 0.00 O ATOM 930 CB THR A 60 -0.946 6.696 2.083 1.00 0.00 C ATOM 931 OG1 THR A 60 -0.934 7.716 3.100 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.167 6.918 1.170 1.00 0.00 C ATOM 0 H THR A 60 -2.224 5.868 4.314 1.00 0.00 H new ATOM 0 HA THR A 60 -1.030 4.543 1.938 1.00 0.00 H new ATOM 0 HB THR A 60 -0.044 6.758 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.925 8.600 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.118 7.915 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.167 6.173 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.081 6.823 1.756 1.00 0.00 H new ATOM 940 N TYR A 61 1.302 4.343 2.972 1.00 0.00 N ATOM 941 CA TYR A 61 2.585 4.034 3.634 1.00 0.00 C ATOM 942 C TYR A 61 3.727 4.491 2.727 1.00 0.00 C ATOM 943 O TYR A 61 4.051 3.801 1.749 1.00 0.00 O ATOM 944 CB TYR A 61 2.696 2.506 3.923 1.00 0.00 C ATOM 945 CG TYR A 61 1.461 1.915 4.622 1.00 0.00 C ATOM 946 CD1 TYR A 61 1.226 2.145 5.978 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.520 1.155 3.921 1.00 0.00 C ATOM 948 CE1 TYR A 61 0.113 1.637 6.604 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.592 0.646 4.546 1.00 0.00 C ATOM 950 CZ TYR A 61 -0.792 0.892 5.886 1.00 0.00 C ATOM 951 OH TYR A 61 -1.907 0.389 6.514 1.00 0.00 O ATOM 0 H TYR A 61 1.228 3.965 2.028 1.00 0.00 H new ATOM 0 HA TYR A 61 2.641 4.559 4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.857 1.979 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.574 2.326 4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.932 2.733 6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.670 0.965 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.050 1.822 7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.305 0.056 3.990 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.373 1.113 6.983 1.00 0.00 H new ATOM 961 N ARG A 62 4.319 5.666 3.027 1.00 0.00 N ATOM 962 CA ARG A 62 5.430 6.211 2.226 1.00 0.00 C ATOM 963 C ARG A 62 6.725 5.479 2.585 1.00 0.00 C ATOM 964 O ARG A 62 7.384 5.779 3.591 1.00 0.00 O ATOM 965 CB ARG A 62 5.576 7.738 2.449 1.00 0.00 C ATOM 966 CG ARG A 62 4.334 8.567 2.035 1.00 0.00 C ATOM 967 CD ARG A 62 4.348 9.984 2.644 1.00 0.00 C ATOM 968 NE ARG A 62 4.428 9.927 4.118 1.00 0.00 N ATOM 969 CZ ARG A 62 4.462 10.978 4.949 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.337 12.212 4.504 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.603 10.758 6.250 1.00 0.00 N ATOM 0 H ARG A 62 4.046 6.252 3.816 1.00 0.00 H new ATOM 0 HA ARG A 62 5.216 6.054 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.785 7.921 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.439 8.094 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.295 8.641 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.430 8.046 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.197 10.544 2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.447 10.521 2.346 1.00 0.00 H new ATOM 0 HE ARG A 62 4.460 9.001 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.211 12.384 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.366 12.995 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.683 9.803 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.631 11.544 6.900 1.00 0.00 H new ATOM 985 N ILE A 63 7.027 4.467 1.774 1.00 0.00 N ATOM 986 CA ILE A 63 8.284 3.726 1.803 1.00 0.00 C ATOM 987 C ILE A 63 9.447 4.581 1.269 1.00 0.00 C ATOM 988 O ILE A 63 9.334 5.205 0.214 1.00 0.00 O ATOM 989 CB ILE A 63 8.154 2.447 0.884 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.848 1.636 1.185 1.00 0.00 C ATOM 991 CG2 ILE A 63 9.393 1.549 1.005 1.00 0.00 C ATOM 992 CD1 ILE A 63 6.558 0.522 0.186 1.00 0.00 C ATOM 0 H ILE A 63 6.384 4.131 1.057 1.00 0.00 H new ATOM 0 HA ILE A 63 8.489 3.449 2.837 1.00 0.00 H new ATOM 0 HB ILE A 63 8.087 2.801 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.925 1.203 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.002 2.324 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.275 0.677 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.278 2.107 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.507 1.224 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.637 0.011 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.446 0.948 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.383 -0.191 0.186 1.00 0.00 H new ATOM 1004 N LEU A 64 10.562 4.557 2.002 1.00 0.00 N ATOM 1005 CA LEU A 64 11.812 5.220 1.604 1.00 0.00 C ATOM 1006 C LEU A 64 12.643 4.210 0.785 1.00 0.00 C ATOM 1007 O LEU A 64 12.851 3.087 1.241 1.00 0.00 O ATOM 1008 CB LEU A 64 12.591 5.728 2.862 1.00 0.00 C ATOM 1009 CG LEU A 64 11.846 6.749 3.789 1.00 0.00 C ATOM 1010 CD1 LEU A 64 11.192 7.884 2.977 1.00 0.00 C ATOM 1011 CD2 LEU A 64 10.838 6.055 4.735 1.00 0.00 C ATOM 0 H LEU A 64 10.626 4.073 2.898 1.00 0.00 H new ATOM 0 HA LEU A 64 11.603 6.098 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.867 4.862 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.518 6.190 2.524 1.00 0.00 H new ATOM 0 HG LEU A 64 12.602 7.207 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.685 8.571 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.959 8.423 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.468 7.462 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.348 6.804 5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.089 5.527 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.366 5.345 5.371 1.00 0.00 H new ATOM 1023 N PRO A 65 13.111 4.599 -0.442 1.00 0.00 N ATOM 1024 CA PRO A 65 13.484 3.644 -1.501 1.00 0.00 C ATOM 1025 C PRO A 65 14.901 3.018 -1.357 1.00 0.00 C ATOM 1026 O PRO A 65 15.026 1.908 -0.830 1.00 0.00 O ATOM 1027 CB PRO A 65 13.323 4.504 -2.782 1.00 0.00 C ATOM 1028 CG PRO A 65 13.676 5.905 -2.357 1.00 0.00 C ATOM 1029 CD PRO A 65 13.342 6.008 -0.872 1.00 0.00 C ATOM 0 HA PRO A 65 12.864 2.748 -1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.982 4.155 -3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.304 4.453 -3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.733 6.108 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.111 6.638 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.158 6.465 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.458 6.624 -0.706 1.00 0.00 H new ATOM 1037 N ASP A 66 15.959 3.732 -1.782 1.00 0.00 N ATOM 1038 CA ASP A 66 17.292 3.128 -2.022 1.00 0.00 C ATOM 1039 C ASP A 66 18.401 4.162 -1.758 1.00 0.00 C ATOM 1040 O ASP A 66 18.152 5.370 -1.757 1.00 0.00 O ATOM 1041 CB ASP A 66 17.364 2.582 -3.482 1.00 0.00 C ATOM 1042 CG ASP A 66 18.678 1.859 -3.846 1.00 0.00 C ATOM 1043 OD1 ASP A 66 19.053 0.901 -3.135 1.00 0.00 O ATOM 1044 OD2 ASP A 66 19.342 2.245 -4.834 1.00 0.00 O ATOM 0 H ASP A 66 15.921 4.734 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 66 17.443 2.296 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.533 1.893 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.222 3.414 -4.172 1.00 0.00 H new ATOM 1049 N GLY A 67 19.615 3.649 -1.551 1.00 0.00 N ATOM 1050 CA GLY A 67 20.773 4.411 -1.067 1.00 0.00 C ATOM 1051 C GLY A 67 21.452 3.577 -0.008 1.00 0.00 C ATOM 1052 O GLY A 67 22.675 3.427 0.030 1.00 0.00 O ATOM 0 H GLY A 67 19.828 2.666 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.460 4.626 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.457 5.370 -0.656 1.00 0.00 H new ATOM 1056 N GLU A 68 20.597 3.056 0.888 1.00 0.00 N ATOM 1057 CA GLU A 68 20.840 1.845 1.687 1.00 0.00 C ATOM 1058 C GLU A 68 20.938 0.572 0.777 1.00 0.00 C ATOM 1059 O GLU A 68 21.425 0.638 -0.356 1.00 0.00 O ATOM 1060 CB GLU A 68 19.664 1.711 2.717 1.00 0.00 C ATOM 1061 CG GLU A 68 19.497 2.917 3.660 1.00 0.00 C ATOM 1062 CD GLU A 68 20.715 3.157 4.566 1.00 0.00 C ATOM 1063 OE1 GLU A 68 21.125 2.218 5.275 1.00 0.00 O ATOM 1064 OE2 GLU A 68 21.275 4.271 4.568 1.00 0.00 O ATOM 0 H GLU A 68 19.690 3.480 1.082 1.00 0.00 H new ATOM 0 HA GLU A 68 21.793 1.928 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.733 1.564 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.825 0.816 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.314 3.812 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.615 2.763 4.282 1.00 0.00 H new ATOM 1071 N ASP A 69 20.487 -0.583 1.297 1.00 0.00 N ATOM 1072 CA ASP A 69 20.388 -1.843 0.526 1.00 0.00 C ATOM 1073 C ASP A 69 18.903 -2.235 0.326 1.00 0.00 C ATOM 1074 O ASP A 69 18.541 -2.923 -0.639 1.00 0.00 O ATOM 1075 CB ASP A 69 21.173 -2.965 1.255 1.00 0.00 C ATOM 1076 CG ASP A 69 21.106 -4.321 0.531 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.811 -4.505 -0.482 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.326 -5.197 0.955 1.00 0.00 O ATOM 0 H ASP A 69 20.179 -0.673 2.265 1.00 0.00 H new ATOM 0 HA ASP A 69 20.830 -1.700 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 69 22.216 -2.664 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.777 -3.079 2.264 1.00 0.00 H new ATOM 1083 N PHE A 70 18.056 -1.744 1.236 1.00 0.00 N ATOM 1084 CA PHE A 70 16.647 -2.144 1.377 1.00 0.00 C ATOM 1085 C PHE A 70 15.724 -0.907 1.435 1.00 0.00 C ATOM 1086 O PHE A 70 16.187 0.214 1.685 1.00 0.00 O ATOM 1087 CB PHE A 70 16.496 -3.050 2.641 1.00 0.00 C ATOM 1088 CG PHE A 70 17.309 -2.603 3.872 1.00 0.00 C ATOM 1089 CD1 PHE A 70 16.952 -1.477 4.608 1.00 0.00 C ATOM 1090 CD2 PHE A 70 18.437 -3.317 4.285 1.00 0.00 C ATOM 1091 CE1 PHE A 70 17.678 -1.091 5.717 1.00 0.00 C ATOM 1092 CE2 PHE A 70 19.160 -2.925 5.394 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.781 -1.811 6.106 1.00 0.00 C ATOM 0 H PHE A 70 18.337 -1.037 1.916 1.00 0.00 H new ATOM 0 HA PHE A 70 16.340 -2.718 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.442 -3.089 2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.794 -4.065 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.093 -0.896 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.748 -4.189 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.378 -0.220 6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 70 20.024 -3.494 5.703 1.00 0.00 H new ATOM 0 HZ PHE A 70 19.350 -1.503 6.970 1.00 0.00 H new ATOM 1103 N LEU A 71 14.417 -1.144 1.193 1.00 0.00 N ATOM 1104 CA LEU A 71 13.357 -0.108 1.227 1.00 0.00 C ATOM 1105 C LEU A 71 12.545 -0.218 2.539 1.00 0.00 C ATOM 1106 O LEU A 71 12.127 -1.316 2.916 1.00 0.00 O ATOM 1107 CB LEU A 71 12.417 -0.201 -0.021 1.00 0.00 C ATOM 1108 CG LEU A 71 11.770 -1.604 -0.348 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.377 -1.457 -0.996 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.689 -2.453 -1.260 1.00 0.00 C ATOM 0 H LEU A 71 14.061 -2.072 0.965 1.00 0.00 H new ATOM 0 HA LEU A 71 13.840 0.868 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.609 0.518 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.986 0.118 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 71 11.650 -2.121 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.967 -2.445 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.713 -0.925 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.466 -0.897 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.213 -3.412 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.859 -1.925 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.643 -2.621 -0.760 1.00 0.00 H new ATOM 1122 N ALA A 72 12.330 0.928 3.228 1.00 0.00 N ATOM 1123 CA ALA A 72 11.712 0.970 4.577 1.00 0.00 C ATOM 1124 C ALA A 72 10.256 1.470 4.551 1.00 0.00 C ATOM 1125 O ALA A 72 10.000 2.641 4.270 1.00 0.00 O ATOM 1126 CB ALA A 72 12.561 1.858 5.500 1.00 0.00 C ATOM 0 H ALA A 72 12.579 1.848 2.866 1.00 0.00 H new ATOM 0 HA ALA A 72 11.685 -0.051 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.109 1.890 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.568 1.448 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.609 2.867 5.091 1.00 0.00 H new ATOM 1132 N VAL A 73 9.326 0.566 4.898 1.00 0.00 N ATOM 1133 CA VAL A 73 7.878 0.866 4.977 1.00 0.00 C ATOM 1134 C VAL A 73 7.559 1.451 6.349 1.00 0.00 C ATOM 1135 O VAL A 73 8.074 0.960 7.345 1.00 0.00 O ATOM 1136 CB VAL A 73 7.015 -0.433 4.774 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.491 -0.118 4.671 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.510 -1.223 3.551 1.00 0.00 C ATOM 0 H VAL A 73 9.553 -0.400 5.134 1.00 0.00 H new ATOM 0 HA VAL A 73 7.636 1.577 4.187 1.00 0.00 H new ATOM 0 HB VAL A 73 7.144 -1.055 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.936 -1.046 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.158 0.370 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.313 0.543 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.901 -2.119 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.429 -0.601 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.551 -1.510 3.700 1.00 0.00 H new ATOM 1148 N GLN A 74 6.706 2.480 6.406 1.00 0.00 N ATOM 1149 CA GLN A 74 6.284 3.100 7.670 1.00 0.00 C ATOM 1150 C GLN A 74 4.904 2.527 8.008 1.00 0.00 C ATOM 1151 O GLN A 74 3.889 3.027 7.524 1.00 0.00 O ATOM 1152 CB GLN A 74 6.262 4.649 7.526 1.00 0.00 C ATOM 1153 CG GLN A 74 7.599 5.284 7.071 1.00 0.00 C ATOM 1154 CD GLN A 74 8.797 4.896 7.954 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.084 5.547 8.956 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.520 3.850 7.563 1.00 0.00 N ATOM 0 H GLN A 74 6.288 2.907 5.579 1.00 0.00 H new ATOM 0 HA GLN A 74 6.979 2.879 8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.486 4.921 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.978 5.084 8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.803 4.983 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.495 6.369 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.255 3.331 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.340 3.567 8.100 1.00 0.00 H new ATOM 1165 N THR A 75 4.893 1.434 8.786 1.00 0.00 N ATOM 1166 CA THR A 75 3.702 0.590 8.968 1.00 0.00 C ATOM 1167 C THR A 75 2.623 1.278 9.845 1.00 0.00 C ATOM 1168 O THR A 75 1.541 1.585 9.343 1.00 0.00 O ATOM 1169 CB THR A 75 4.106 -0.797 9.568 1.00 0.00 C ATOM 1170 OG1 THR A 75 5.254 -1.317 8.862 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.953 -1.823 9.501 1.00 0.00 C ATOM 0 H THR A 75 5.709 1.110 9.306 1.00 0.00 H new ATOM 0 HA THR A 75 3.258 0.434 7.985 1.00 0.00 H new ATOM 0 HB THR A 75 4.347 -0.639 10.619 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.953 -1.868 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.283 -2.769 9.929 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.099 -1.448 10.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.663 -1.977 8.462 1.00 0.00 H new ATOM 1179 N SER A 76 2.927 1.520 11.145 1.00 0.00 N ATOM 1180 CA SER A 76 1.967 2.150 12.090 1.00 0.00 C ATOM 1181 C SER A 76 2.668 2.557 13.415 1.00 0.00 C ATOM 1182 O SER A 76 3.866 2.297 13.594 1.00 0.00 O ATOM 1183 CB SER A 76 0.760 1.202 12.336 1.00 0.00 C ATOM 1184 OG SER A 76 -0.276 1.854 13.044 1.00 0.00 O ATOM 0 H SER A 76 3.828 1.289 11.564 1.00 0.00 H new ATOM 0 HA SER A 76 1.586 3.068 11.643 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.378 0.842 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.091 0.328 12.897 1.00 0.00 H new ATOM 0 HG SER A 76 -1.021 1.232 13.181 1.00 0.00 H new ATOM 1190 N GLN A 77 1.892 3.177 14.339 1.00 0.00 N ATOM 1191 CA GLN A 77 2.408 3.870 15.554 1.00 0.00 C ATOM 1192 C GLN A 77 3.174 2.947 16.533 1.00 0.00 C ATOM 1193 O GLN A 77 4.184 3.359 17.112 1.00 0.00 O ATOM 1194 CB GLN A 77 1.239 4.553 16.318 1.00 0.00 C ATOM 1195 CG GLN A 77 0.439 5.596 15.505 1.00 0.00 C ATOM 1196 CD GLN A 77 -0.704 6.242 16.306 1.00 0.00 C ATOM 1197 OE1 GLN A 77 -1.277 5.632 17.216 1.00 0.00 O ATOM 1198 NE2 GLN A 77 -1.062 7.472 15.955 1.00 0.00 N ATOM 0 H GLN A 77 0.875 3.212 14.263 1.00 0.00 H new ATOM 0 HA GLN A 77 3.123 4.607 15.188 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.552 3.781 16.663 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.642 5.040 17.206 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.118 6.376 15.159 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.026 5.116 14.618 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.570 7.950 15.200 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.828 7.938 16.440 1.00 0.00 H new ATOM 1207 N GLY A 78 2.687 1.707 16.714 1.00 0.00 N ATOM 1208 CA GLY A 78 3.211 0.804 17.752 1.00 0.00 C ATOM 1209 C GLY A 78 3.335 -0.635 17.281 1.00 0.00 C ATOM 1210 O GLY A 78 3.040 -1.574 18.031 1.00 0.00 O ATOM 0 H GLY A 78 1.932 1.308 16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.189 1.160 18.075 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.555 0.840 18.622 1.00 0.00 H new ATOM 1214 N VAL A 79 3.795 -0.808 16.040 1.00 0.00 N ATOM 1215 CA VAL A 79 4.081 -2.134 15.443 1.00 0.00 C ATOM 1216 C VAL A 79 5.561 -2.179 14.980 1.00 0.00 C ATOM 1217 O VAL A 79 6.143 -1.113 14.713 1.00 0.00 O ATOM 1218 CB VAL A 79 3.123 -2.434 14.220 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.645 -2.531 14.677 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.301 -1.377 13.103 1.00 0.00 C ATOM 0 H VAL A 79 3.984 -0.031 15.408 1.00 0.00 H new ATOM 0 HA VAL A 79 3.905 -2.899 16.199 1.00 0.00 H new ATOM 0 HB VAL A 79 3.402 -3.403 13.806 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.011 -2.738 13.815 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.541 -3.335 15.405 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.342 -1.588 15.132 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.631 -1.607 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.065 -0.388 13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.332 -1.391 12.750 1.00 0.00 H new ATOM 1230 N PRO A 80 6.202 -3.391 14.878 1.00 0.00 N ATOM 1231 CA PRO A 80 7.584 -3.523 14.345 1.00 0.00 C ATOM 1232 C PRO A 80 7.647 -3.135 12.842 1.00 0.00 C ATOM 1233 O PRO A 80 6.846 -3.620 12.025 1.00 0.00 O ATOM 1234 CB PRO A 80 7.933 -5.022 14.584 1.00 0.00 C ATOM 1235 CG PRO A 80 6.601 -5.708 14.634 1.00 0.00 C ATOM 1236 CD PRO A 80 5.644 -4.713 15.264 1.00 0.00 C ATOM 0 HA PRO A 80 8.295 -2.856 14.832 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.555 -5.419 13.782 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.486 -5.159 15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.269 -5.990 13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.655 -6.624 15.222 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.628 -4.843 14.890 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.602 -4.829 16.347 1.00 0.00 H new ATOM 1244 N VAL A 81 8.585 -2.241 12.504 1.00 0.00 N ATOM 1245 CA VAL A 81 8.785 -1.731 11.140 1.00 0.00 C ATOM 1246 C VAL A 81 9.782 -2.643 10.430 1.00 0.00 C ATOM 1247 O VAL A 81 10.892 -2.861 10.935 1.00 0.00 O ATOM 1248 CB VAL A 81 9.311 -0.245 11.175 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.822 0.242 9.791 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.197 0.687 11.721 1.00 0.00 C ATOM 0 H VAL A 81 9.237 -1.845 13.181 1.00 0.00 H new ATOM 0 HA VAL A 81 7.838 -1.729 10.600 1.00 0.00 H new ATOM 0 HB VAL A 81 10.171 -0.211 11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.172 1.271 9.874 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.643 -0.395 9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.010 0.192 9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.561 1.714 11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.323 0.627 11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.924 0.375 12.729 1.00 0.00 H new ATOM 1260 N ARG A 82 9.400 -3.149 9.255 1.00 0.00 N ATOM 1261 CA ARG A 82 10.191 -4.127 8.512 1.00 0.00 C ATOM 1262 C ARG A 82 10.552 -3.556 7.139 1.00 0.00 C ATOM 1263 O ARG A 82 9.736 -2.887 6.487 1.00 0.00 O ATOM 1264 CB ARG A 82 9.421 -5.471 8.380 1.00 0.00 C ATOM 1265 CG ARG A 82 10.189 -6.581 7.616 1.00 0.00 C ATOM 1266 CD ARG A 82 9.557 -7.969 7.764 1.00 0.00 C ATOM 1267 NE ARG A 82 10.303 -8.994 6.999 1.00 0.00 N ATOM 1268 CZ ARG A 82 10.474 -10.280 7.360 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.058 -10.710 8.544 1.00 0.00 N ATOM 1270 NH2 ARG A 82 11.079 -11.122 6.530 1.00 0.00 N ATOM 0 H ARG A 82 8.529 -2.889 8.792 1.00 0.00 H new ATOM 0 HA ARG A 82 11.113 -4.332 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.179 -5.836 9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.475 -5.285 7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.233 -6.321 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.216 -6.617 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.532 -8.247 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.524 -7.937 7.418 1.00 0.00 H new ATOM 0 HE ARG A 82 10.726 -8.699 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.604 -10.065 9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.192 -11.686 8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.412 -10.794 5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.211 -12.097 6.799 1.00 0.00 H new ATOM 1284 N ARG A 83 11.799 -3.812 6.734 1.00 0.00 N ATOM 1285 CA ARG A 83 12.348 -3.399 5.445 1.00 0.00 C ATOM 1286 C ARG A 83 12.358 -4.610 4.504 1.00 0.00 C ATOM 1287 O ARG A 83 12.358 -5.761 4.953 1.00 0.00 O ATOM 1288 CB ARG A 83 13.779 -2.808 5.612 1.00 0.00 C ATOM 1289 CG ARG A 83 13.862 -1.477 6.413 1.00 0.00 C ATOM 1290 CD ARG A 83 13.688 -1.640 7.938 1.00 0.00 C ATOM 1291 NE ARG A 83 14.790 -2.408 8.539 1.00 0.00 N ATOM 1292 CZ ARG A 83 14.794 -2.917 9.779 1.00 0.00 C ATOM 1293 NH1 ARG A 83 13.726 -2.860 10.559 1.00 0.00 N ATOM 1294 NH2 ARG A 83 15.887 -3.507 10.231 1.00 0.00 N ATOM 0 H ARG A 83 12.468 -4.324 7.309 1.00 0.00 H new ATOM 0 HA ARG A 83 11.725 -2.613 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.405 -3.550 6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.204 -2.643 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.827 -1.009 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.096 -0.796 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 83 13.635 -0.656 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.742 -2.141 8.144 1.00 0.00 H new ATOM 0 HE ARG A 83 15.618 -2.566 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.870 -2.420 10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.759 -3.256 11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.714 -3.571 9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.903 -3.898 11.173 1.00 0.00 H new ATOM 1308 N PHE A 84 12.381 -4.334 3.199 1.00 0.00 N ATOM 1309 CA PHE A 84 12.260 -5.358 2.139 1.00 0.00 C ATOM 1310 C PHE A 84 13.370 -5.151 1.117 1.00 0.00 C ATOM 1311 O PHE A 84 13.965 -4.078 1.068 1.00 0.00 O ATOM 1312 CB PHE A 84 10.862 -5.267 1.456 1.00 0.00 C ATOM 1313 CG PHE A 84 9.711 -5.502 2.418 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.345 -6.793 2.769 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.019 -4.446 3.003 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.329 -7.017 3.657 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.007 -4.681 3.904 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.659 -5.967 4.226 1.00 0.00 C ATOM 0 H PHE A 84 12.485 -3.386 2.836 1.00 0.00 H new ATOM 0 HA PHE A 84 12.357 -6.351 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.751 -4.283 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.810 -6.000 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.869 -7.632 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.280 -3.430 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.053 -8.030 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.486 -3.851 4.358 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.858 -6.152 4.927 1.00 0.00 H new ATOM 1328 N GLN A 85 13.668 -6.178 0.326 1.00 0.00 N ATOM 1329 CA GLN A 85 14.635 -6.070 -0.784 1.00 0.00 C ATOM 1330 C GLN A 85 13.900 -5.883 -2.122 1.00 0.00 C ATOM 1331 O GLN A 85 14.500 -5.410 -3.091 1.00 0.00 O ATOM 1332 CB GLN A 85 15.560 -7.318 -0.803 1.00 0.00 C ATOM 1333 CG GLN A 85 16.345 -7.517 0.510 1.00 0.00 C ATOM 1334 CD GLN A 85 17.226 -8.773 0.551 1.00 0.00 C ATOM 1335 OE1 GLN A 85 16.913 -9.797 -0.060 1.00 0.00 O ATOM 1336 NE2 GLN A 85 18.323 -8.704 1.294 1.00 0.00 N ATOM 0 H GLN A 85 13.255 -7.105 0.427 1.00 0.00 H new ATOM 0 HA GLN A 85 15.261 -5.191 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.957 -8.205 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.265 -7.226 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.975 -6.643 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 85 15.636 -7.561 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.552 -7.841 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.937 -9.514 1.373 1.00 0.00 H new ATOM 1345 N THR A 86 12.583 -6.224 -2.162 1.00 0.00 N ATOM 1346 CA THR A 86 11.720 -6.062 -3.370 1.00 0.00 C ATOM 1347 C THR A 86 10.268 -5.723 -2.947 1.00 0.00 C ATOM 1348 O THR A 86 9.839 -6.089 -1.841 1.00 0.00 O ATOM 1349 CB THR A 86 11.699 -7.359 -4.274 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.395 -8.498 -3.461 1.00 0.00 O ATOM 1351 CG2 THR A 86 13.032 -7.604 -5.012 1.00 0.00 C ATOM 0 H THR A 86 12.089 -6.618 -1.361 1.00 0.00 H new ATOM 0 HA THR A 86 12.147 -5.247 -3.955 1.00 0.00 H new ATOM 0 HB THR A 86 10.934 -7.205 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.380 -9.303 -4.019 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.953 -8.508 -5.615 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.251 -6.755 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.835 -7.722 -4.284 1.00 0.00 H new ATOM 1359 N LEU A 87 9.518 -5.030 -3.849 1.00 0.00 N ATOM 1360 CA LEU A 87 8.070 -4.730 -3.677 1.00 0.00 C ATOM 1361 C LEU A 87 7.212 -6.022 -3.660 1.00 0.00 C ATOM 1362 O LEU A 87 6.099 -6.024 -3.125 1.00 0.00 O ATOM 1363 CB LEU A 87 7.561 -3.780 -4.804 1.00 0.00 C ATOM 1364 CG LEU A 87 8.141 -2.328 -4.829 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.648 -1.558 -6.076 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.788 -1.560 -3.533 1.00 0.00 C ATOM 0 H LEU A 87 9.904 -4.663 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 87 7.961 -4.234 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.779 -4.248 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.476 -3.709 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 87 9.227 -2.406 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.065 -0.551 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.971 -2.080 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.560 -1.500 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.205 -0.554 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.705 -1.499 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.205 -2.085 -2.674 1.00 0.00 H new ATOM 1378 N GLY A 88 7.720 -7.089 -4.298 1.00 0.00 N ATOM 1379 CA GLY A 88 7.098 -8.421 -4.221 1.00 0.00 C ATOM 1380 C GLY A 88 6.953 -8.933 -2.783 1.00 0.00 C ATOM 1381 O GLY A 88 5.906 -9.468 -2.411 1.00 0.00 O ATOM 0 H GLY A 88 8.561 -7.055 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.114 -8.384 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.697 -9.129 -4.794 1.00 0.00 H new ATOM 1385 N GLU A 89 8.010 -8.731 -1.972 1.00 0.00 N ATOM 1386 CA GLU A 89 8.031 -9.111 -0.539 1.00 0.00 C ATOM 1387 C GLU A 89 7.059 -8.240 0.280 1.00 0.00 C ATOM 1388 O GLU A 89 6.459 -8.719 1.251 1.00 0.00 O ATOM 1389 CB GLU A 89 9.454 -8.972 0.034 1.00 0.00 C ATOM 1390 CG GLU A 89 10.489 -9.914 -0.579 1.00 0.00 C ATOM 1391 CD GLU A 89 11.887 -9.637 -0.021 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.189 -10.082 1.102 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.675 -8.939 -0.684 1.00 0.00 O ATOM 0 H GLU A 89 8.877 -8.299 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 89 7.713 -10.151 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.789 -7.945 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.416 -9.148 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.211 -10.948 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.497 -9.795 -1.662 1.00 0.00 H new ATOM 1400 N LEU A 90 6.928 -6.961 -0.134 1.00 0.00 N ATOM 1401 CA LEU A 90 5.992 -5.988 0.474 1.00 0.00 C ATOM 1402 C LEU A 90 4.556 -6.536 0.437 1.00 0.00 C ATOM 1403 O LEU A 90 3.925 -6.738 1.474 1.00 0.00 O ATOM 1404 CB LEU A 90 6.075 -4.637 -0.303 1.00 0.00 C ATOM 1405 CG LEU A 90 5.025 -3.534 0.076 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.353 -2.877 1.425 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.878 -2.484 -1.051 1.00 0.00 C ATOM 0 H LEU A 90 7.472 -6.571 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 90 6.270 -5.823 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.072 -4.221 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.973 -4.851 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 90 4.060 -4.028 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.603 -2.119 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.352 -3.635 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.337 -2.410 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.143 -1.735 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.839 -2.001 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.548 -2.976 -1.966 1.00 0.00 H new ATOM 1419 N ILE A 91 4.082 -6.819 -0.789 1.00 0.00 N ATOM 1420 CA ILE A 91 2.732 -7.343 -1.042 1.00 0.00 C ATOM 1421 C ILE A 91 2.550 -8.730 -0.382 1.00 0.00 C ATOM 1422 O ILE A 91 1.490 -9.026 0.185 1.00 0.00 O ATOM 1423 CB ILE A 91 2.439 -7.428 -2.591 1.00 0.00 C ATOM 1424 CG1 ILE A 91 2.705 -6.053 -3.290 1.00 0.00 C ATOM 1425 CG2 ILE A 91 0.995 -7.921 -2.876 1.00 0.00 C ATOM 1426 CD1 ILE A 91 1.916 -4.873 -2.749 1.00 0.00 C ATOM 0 H ILE A 91 4.632 -6.689 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 91 2.016 -6.652 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 91 3.126 -8.163 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.767 -5.824 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.483 -6.158 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.832 -7.966 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.858 -8.913 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.280 -7.230 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.179 -3.974 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.849 -5.068 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.153 -4.729 -1.695 1.00 0.00 H new ATOM 1438 N GLY A 92 3.633 -9.533 -0.433 1.00 0.00 N ATOM 1439 CA GLY A 92 3.670 -10.883 0.140 1.00 0.00 C ATOM 1440 C GLY A 92 3.322 -10.930 1.626 1.00 0.00 C ATOM 1441 O GLY A 92 2.391 -11.635 2.029 1.00 0.00 O ATOM 0 H GLY A 92 4.509 -9.256 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.974 -11.519 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.666 -11.302 -0.004 1.00 0.00 H new ATOM 1445 N LEU A 93 4.060 -10.149 2.441 1.00 0.00 N ATOM 1446 CA LEU A 93 3.883 -10.133 3.902 1.00 0.00 C ATOM 1447 C LEU A 93 2.628 -9.357 4.340 1.00 0.00 C ATOM 1448 O LEU A 93 1.904 -9.830 5.208 1.00 0.00 O ATOM 1449 CB LEU A 93 5.156 -9.597 4.610 1.00 0.00 C ATOM 1450 CG LEU A 93 6.421 -10.516 4.514 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.551 -9.990 5.400 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.098 -11.983 4.868 1.00 0.00 C ATOM 0 H LEU A 93 4.788 -9.518 2.106 1.00 0.00 H new ATOM 0 HA LEU A 93 3.729 -11.166 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.403 -8.624 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.924 -9.437 5.663 1.00 0.00 H new ATOM 0 HG LEU A 93 6.753 -10.492 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.417 -10.647 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.825 -8.985 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.218 -9.963 6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.004 -12.584 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.716 -12.036 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.346 -12.367 4.179 1.00 0.00 H new ATOM 1464 N TYR A 94 2.354 -8.189 3.734 1.00 0.00 N ATOM 1465 CA TYR A 94 1.178 -7.357 4.110 1.00 0.00 C ATOM 1466 C TYR A 94 -0.166 -7.965 3.641 1.00 0.00 C ATOM 1467 O TYR A 94 -1.235 -7.461 4.011 1.00 0.00 O ATOM 1468 CB TYR A 94 1.351 -5.891 3.616 1.00 0.00 C ATOM 1469 CG TYR A 94 2.382 -5.090 4.424 1.00 0.00 C ATOM 1470 CD1 TYR A 94 2.052 -4.571 5.672 1.00 0.00 C ATOM 1471 CD2 TYR A 94 3.671 -4.863 3.955 1.00 0.00 C ATOM 1472 CE1 TYR A 94 2.966 -3.856 6.417 1.00 0.00 C ATOM 1473 CE2 TYR A 94 4.587 -4.152 4.695 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.233 -3.647 5.919 1.00 0.00 C ATOM 1475 OH TYR A 94 5.158 -2.935 6.646 1.00 0.00 O ATOM 0 H TYR A 94 2.922 -7.794 2.985 1.00 0.00 H new ATOM 0 HA TYR A 94 1.137 -7.345 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.651 -5.902 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.388 -5.383 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.059 -4.731 6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.959 -5.253 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 94 2.690 -3.463 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.584 -3.992 4.312 1.00 0.00 H new ATOM 0 HH TYR A 94 5.999 -2.885 6.145 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.117 -9.052 2.840 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.315 -9.844 2.466 1.00 0.00 C ATOM 1487 C ALA A 95 -1.981 -10.575 3.669 1.00 0.00 C ATOM 1488 O ALA A 95 -3.015 -11.227 3.495 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.937 -10.853 1.372 1.00 0.00 C ATOM 0 H ALA A 95 0.749 -9.406 2.435 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.059 -9.139 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.815 -11.436 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.566 -10.319 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.161 -11.521 1.746 1.00 0.00 H new ATOM 1495 N GLN A 96 -1.383 -10.478 4.876 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.975 -11.034 6.119 1.00 0.00 C ATOM 1497 C GLN A 96 -2.749 -9.918 6.875 1.00 0.00 C ATOM 1498 O GLN A 96 -2.297 -8.760 6.886 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.875 -11.669 7.015 1.00 0.00 C ATOM 1500 CG GLN A 96 0.144 -10.676 7.607 1.00 0.00 C ATOM 1501 CD GLN A 96 1.350 -11.339 8.285 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.768 -12.443 7.917 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.917 -10.673 9.282 1.00 0.00 N ATOM 0 H GLN A 96 -0.484 -10.017 5.019 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.678 -11.825 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.359 -12.200 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.335 -12.412 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.503 -10.024 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.364 -10.042 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.549 -9.764 9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.721 -11.070 9.768 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.942 -10.231 7.489 1.00 0.00 N ATOM 1513 CA PRO A 97 -4.756 -9.230 8.224 1.00 0.00 C ATOM 1514 C PRO A 97 -4.209 -8.940 9.640 1.00 0.00 C ATOM 1515 O PRO A 97 -3.295 -9.630 10.116 1.00 0.00 O ATOM 1516 CB PRO A 97 -6.182 -9.873 8.273 1.00 0.00 C ATOM 1517 CG PRO A 97 -6.071 -11.191 7.534 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.602 -11.560 7.522 1.00 0.00 C ATOM 0 HA PRO A 97 -4.746 -8.257 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.505 -10.029 9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.920 -9.223 7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.660 -11.963 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.455 -11.099 6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.319 -12.133 8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.342 -12.165 6.653 1.00 0.00 H new ATOM 1526 N ASN A 98 -4.828 -7.932 10.300 1.00 0.00 N ATOM 1527 CA ASN A 98 -4.482 -7.454 11.656 1.00 0.00 C ATOM 1528 C ASN A 98 -2.988 -7.081 11.771 1.00 0.00 C ATOM 1529 O ASN A 98 -2.166 -7.895 12.211 1.00 0.00 O ATOM 1530 CB ASN A 98 -4.926 -8.501 12.726 1.00 0.00 C ATOM 1531 CG ASN A 98 -4.991 -7.960 14.165 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -4.262 -7.044 14.547 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -5.876 -8.524 14.981 1.00 0.00 N ATOM 0 H ASN A 98 -5.605 -7.415 9.889 1.00 0.00 H new ATOM 0 HA ASN A 98 -5.032 -6.533 11.849 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.908 -8.886 12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -4.235 -9.343 12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -5.961 -8.199 15.944 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -6.470 -9.282 14.644 1.00 0.00 H new ATOM 1540 N GLN A 99 -2.648 -5.850 11.338 1.00 0.00 N ATOM 1541 CA GLN A 99 -1.262 -5.346 11.365 1.00 0.00 C ATOM 1542 C GLN A 99 -1.213 -3.797 11.311 1.00 0.00 C ATOM 1543 O GLN A 99 -0.139 -3.197 11.166 1.00 0.00 O ATOM 1544 CB GLN A 99 -0.479 -5.990 10.182 1.00 0.00 C ATOM 1545 CG GLN A 99 1.056 -5.917 10.286 1.00 0.00 C ATOM 1546 CD GLN A 99 1.599 -6.471 11.614 1.00 0.00 C ATOM 1547 OE1 GLN A 99 1.809 -5.728 12.578 1.00 0.00 O ATOM 1548 NE2 GLN A 99 1.788 -7.782 11.690 1.00 0.00 N ATOM 0 H GLN A 99 -3.322 -5.182 10.963 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.792 -5.629 12.307 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.771 -7.037 10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.787 -5.502 9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.497 -6.474 9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.373 -4.880 10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.606 -8.371 10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.115 -8.201 12.561 1.00 0.00 H new ATOM 1557 N GLY A 100 -2.386 -3.148 11.447 1.00 0.00 N ATOM 1558 CA GLY A 100 -2.490 -1.681 11.325 1.00 0.00 C ATOM 1559 C GLY A 100 -3.057 -1.263 9.969 1.00 0.00 C ATOM 1560 O GLY A 100 -3.419 -0.100 9.758 1.00 0.00 O ATOM 0 H GLY A 100 -3.272 -3.615 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.127 -1.294 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.505 -1.234 11.460 1.00 0.00 H new ATOM 1564 N LEU A 101 -3.089 -2.233 9.042 1.00 0.00 N ATOM 1565 CA LEU A 101 -3.679 -2.110 7.698 1.00 0.00 C ATOM 1566 C LEU A 101 -5.205 -1.910 7.758 1.00 0.00 C ATOM 1567 O LEU A 101 -5.861 -2.326 8.719 1.00 0.00 O ATOM 1568 CB LEU A 101 -3.333 -3.407 6.890 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.951 -3.462 6.151 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -2.008 -2.695 4.821 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.784 -2.962 7.044 1.00 0.00 C ATOM 0 H LEU A 101 -2.691 -3.157 9.213 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.263 -1.230 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.379 -4.252 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.116 -3.557 6.147 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.747 -4.510 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.037 -2.748 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.767 -3.139 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.261 -1.652 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.151 -3.020 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.968 -1.929 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.715 -3.586 7.935 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.774 -1.257 6.730 1.00 0.00 N ATOM 1584 CA VAL A 102 -7.225 -1.273 6.486 1.00 0.00 C ATOM 1585 C VAL A 102 -7.571 -2.575 5.718 1.00 0.00 C ATOM 1586 O VAL A 102 -7.715 -2.590 4.488 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.719 0.041 5.753 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -7.581 1.274 6.668 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.977 0.293 4.424 1.00 0.00 C ATOM 0 H VAL A 102 -5.246 -0.708 6.051 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.764 -1.274 7.433 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.772 -0.118 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.928 2.161 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.182 1.130 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.536 1.404 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.355 1.206 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.910 0.399 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.142 -0.548 3.750 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.580 -3.688 6.498 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.755 -5.080 6.007 1.00 0.00 C ATOM 1601 C CYS A 103 -6.460 -5.587 5.340 1.00 0.00 C ATOM 1602 O CYS A 103 -5.521 -4.819 5.118 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.981 -5.220 5.054 1.00 0.00 C ATOM 1604 SG CYS A 103 -9.253 -6.869 4.362 1.00 0.00 S ATOM 0 H CYS A 103 -7.463 -3.640 7.510 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.963 -5.709 6.873 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.877 -4.922 5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.860 -4.516 4.231 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.084 -7.763 5.291 1.00 0.00 H new ATOM 1610 N ALA A 104 -6.419 -6.894 5.020 1.00 0.00 N ATOM 1611 CA ALA A 104 -5.286 -7.510 4.315 1.00 0.00 C ATOM 1612 C ALA A 104 -5.287 -7.064 2.846 1.00 0.00 C ATOM 1613 O ALA A 104 -6.294 -6.519 2.348 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.371 -9.040 4.406 1.00 0.00 C ATOM 0 H ALA A 104 -7.169 -7.548 5.243 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.357 -7.187 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.526 -9.483 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.347 -9.344 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.301 -9.380 3.951 1.00 0.00 H new ATOM 1620 N LEU A 105 -4.167 -7.315 2.153 1.00 0.00 N ATOM 1621 CA LEU A 105 -4.064 -7.037 0.721 1.00 0.00 C ATOM 1622 C LEU A 105 -4.882 -8.098 -0.038 1.00 0.00 C ATOM 1623 O LEU A 105 -4.394 -9.196 -0.321 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.577 -6.996 0.272 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.649 -5.959 1.005 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.289 -5.828 0.293 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.331 -4.584 1.183 1.00 0.00 C ATOM 0 H LEU A 105 -3.322 -7.710 2.565 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.474 -6.053 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.152 -7.990 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.549 -6.782 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.466 -6.348 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.331 -5.104 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.211 -6.796 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.446 -5.491 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.650 -3.903 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.587 -4.175 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.238 -4.702 1.775 1.00 0.00 H new ATOM 1639 N LEU A 106 -6.160 -7.748 -0.297 1.00 0.00 N ATOM 1640 CA LEU A 106 -7.184 -8.667 -0.830 1.00 0.00 C ATOM 1641 C LEU A 106 -7.094 -8.720 -2.365 1.00 0.00 C ATOM 1642 O LEU A 106 -6.841 -9.775 -2.951 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.604 -8.196 -0.340 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.808 -9.208 -0.448 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -10.301 -9.425 -1.895 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -9.465 -10.549 0.239 1.00 0.00 C ATOM 0 H LEU A 106 -6.513 -6.804 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.014 -9.678 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.513 -7.899 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.870 -7.302 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.642 -8.749 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.130 -10.133 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.635 -8.475 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.486 -9.821 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.312 -11.230 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.592 -10.991 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.249 -10.373 1.293 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.276 -7.562 -2.989 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.324 -7.422 -4.451 1.00 0.00 C ATOM 1660 C LEU A 107 -6.740 -6.051 -4.786 1.00 0.00 C ATOM 1661 O LEU A 107 -7.160 -5.076 -4.158 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.787 -7.533 -4.971 1.00 0.00 C ATOM 1663 CG LEU A 107 -8.974 -7.448 -6.526 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -8.353 -8.663 -7.259 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -10.458 -7.256 -6.898 1.00 0.00 C ATOM 0 H LEU A 107 -7.397 -6.679 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.753 -8.217 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.203 -8.480 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.376 -6.740 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.429 -6.568 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.508 -8.558 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.284 -8.707 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.829 -9.580 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.557 -7.200 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.039 -8.099 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.828 -6.333 -6.452 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.723 -5.940 -5.710 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.153 -4.632 -6.100 1.00 0.00 C ATOM 1679 C PRO A 108 -6.258 -3.654 -6.579 1.00 0.00 C ATOM 1680 O PRO A 108 -6.633 -2.724 -5.852 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.104 -4.979 -7.213 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.399 -6.398 -7.607 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.012 -7.059 -6.387 1.00 0.00 C ATOM 0 HA PRO A 108 -4.681 -4.109 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.198 -4.306 -8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.085 -4.878 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.085 -6.432 -8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.489 -6.914 -7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.697 -7.860 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.251 -7.499 -5.743 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.802 -3.911 -7.770 1.00 0.00 N ATOM 1692 CA VAL A 109 -7.929 -3.166 -8.344 1.00 0.00 C ATOM 1693 C VAL A 109 -8.833 -4.171 -9.095 1.00 0.00 C ATOM 1694 O VAL A 109 -8.370 -4.766 -10.094 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.443 -2.000 -9.298 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -8.610 -1.401 -10.117 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -6.719 -0.875 -8.501 1.00 0.00 C ATOM 1698 OXT VAL A 109 -10.007 -4.349 -8.705 1.00 0.00 O ATOM 0 H VAL A 109 -6.466 -4.659 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.491 -2.683 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.732 -2.445 -9.995 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.233 -0.604 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.060 -2.180 -10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.361 -0.996 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.399 -0.091 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.402 -0.454 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.848 -1.291 -7.994 1.00 0.00 H new TER 1708 VAL A 109