USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1071 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 44 CYS SG : rot 139:sc= 0.696 USER MOD Set 1.2: A 60 MET CE :methyl -163:sc= 0 (180deg=-0.0256) USER MOD Set 2.1: A 52 CYS SG : rot 170:sc= 0 USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.623 (180deg=0.306) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.253 K(o=0.25,f=-3.3!) USER MOD Single : A 12 ASN : amide:sc= -0.837 K(o=-0.84,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0.611 (180deg=0.586) USER MOD Single : A 33 ASN : amide:sc= -0.0871 K(o=-0.087,f=-1.3!) USER MOD Single : A 38 ASN : amide:sc= -0.215 K(o=-0.22,f=-3.6) USER MOD Single : A 39 CYS SG : rot 16:sc= 0.414 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.1!) USER MOD Single : A 49 CYS SG : rot 55:sc= 0.897 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 61 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.3) USER MOD Single : A 64 CYS SG : rot 180:sc= 0.00851 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.663 K(o=0.66,f=-2.4!) USER MOD Single : A 74 THR OG1 : rot -79:sc= 1.52 USER MOD Single : A 75 GLN : amide:sc= 0.814 K(o=0.81,f=-8.5!) USER MOD Single : A 81 GLN : amide:sc= 0.175 K(o=0.17,f=-2!) USER MOD Single : A 84 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00249) USER MOD Single : A 104 SER OG : rot -90:sc= 0.731 USER MOD Single : A 105 CYS SG : rot 23:sc= 0 USER MOD Single : A 108 CYS SG : rot -164:sc= -0.0603 USER MOD Single : A 116 LYS NZ :NH3+ -116:sc= 0.423 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.152 K(o=-0.15,f=-11!) USER MOD Single : A 124 MET CE :methyl -116:sc= 0 (180deg=-0.11) USER MOD Single : A 128 ASN : amide:sc= 0.71 K(o=0.71,f=-0.42) USER MOD Single : A 133 MET CE :methyl 174:sc= 0 (180deg=-0.0309) USER MOD Single : A 135 LYS NZ :NH3+ 179:sc= 1.03 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.737 44.330 11.861 1.00 0.00 N ATOM 2 CA MET A 1 27.568 44.753 11.031 1.00 0.00 C ATOM 3 C MET A 1 26.271 44.088 11.534 1.00 0.00 C ATOM 4 O MET A 1 26.328 42.935 11.979 1.00 0.00 O ATOM 5 CB MET A 1 27.761 44.451 9.522 1.00 0.00 C ATOM 6 CG MET A 1 28.783 45.360 8.816 1.00 0.00 C ATOM 7 SD MET A 1 30.542 45.098 9.201 1.00 0.00 S ATOM 8 CE MET A 1 30.862 43.549 8.309 1.00 0.00 C ATOM 0 H1 MET A 1 29.609 44.417 11.302 1.00 0.00 H new ATOM 0 H2 MET A 1 28.803 44.937 12.703 1.00 0.00 H new ATOM 0 H3 MET A 1 28.613 43.341 12.157 1.00 0.00 H new ATOM 0 HA MET A 1 27.490 45.835 11.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.077 43.414 9.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.799 44.548 9.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.652 45.242 7.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.536 46.394 9.056 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.903 43.257 8.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.210 42.765 8.695 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.665 43.694 7.247 1.00 0.00 H new ATOM 18 N PRO A 2 25.108 44.775 11.467 1.00 0.00 N ATOM 19 CA PRO A 2 23.813 44.221 11.870 1.00 0.00 C ATOM 20 C PRO A 2 23.282 43.215 10.836 1.00 0.00 C ATOM 21 O PRO A 2 23.645 43.270 9.660 1.00 0.00 O ATOM 22 CB PRO A 2 22.880 45.431 12.001 1.00 0.00 C ATOM 23 CG PRO A 2 23.426 46.400 10.953 1.00 0.00 C ATOM 24 CD PRO A 2 24.935 46.157 11.017 1.00 0.00 C ATOM 0 HA PRO A 2 23.889 43.665 12.805 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.842 45.164 11.802 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.913 45.859 13.003 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.025 46.191 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 2 23.173 47.434 11.188 1.00 0.00 H new ATOM 0 HD2 PRO A 2 25.395 46.309 10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 2 25.412 46.853 11.706 1.00 0.00 H new ATOM 32 N VAL A 3 22.389 42.316 11.269 1.00 0.00 N ATOM 33 CA VAL A 3 21.701 41.360 10.379 1.00 0.00 C ATOM 34 C VAL A 3 20.442 42.025 9.810 1.00 0.00 C ATOM 35 O VAL A 3 19.476 42.274 10.534 1.00 0.00 O ATOM 36 CB VAL A 3 21.362 40.028 11.095 1.00 0.00 C ATOM 37 CG1 VAL A 3 20.616 39.056 10.164 1.00 0.00 C ATOM 38 CG2 VAL A 3 22.641 39.335 11.599 1.00 0.00 C ATOM 0 H VAL A 3 22.120 42.227 12.249 1.00 0.00 H new ATOM 0 HA VAL A 3 22.376 41.099 9.563 1.00 0.00 H new ATOM 0 HB VAL A 3 20.719 40.281 11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.396 38.134 10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 3 19.684 39.514 9.832 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.239 38.831 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 3 22.377 38.402 12.098 1.00 0.00 H new ATOM 0 HG22 VAL A 3 23.296 39.122 10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 3 23.156 39.989 12.302 1.00 0.00 H new ATOM 48 N ARG A 4 20.462 42.306 8.502 1.00 0.00 N ATOM 49 CA ARG A 4 19.338 42.899 7.763 1.00 0.00 C ATOM 50 C ARG A 4 18.242 41.856 7.489 1.00 0.00 C ATOM 51 O ARG A 4 18.541 40.710 7.137 1.00 0.00 O ATOM 52 CB ARG A 4 19.843 43.520 6.445 1.00 0.00 C ATOM 53 CG ARG A 4 20.840 44.684 6.628 1.00 0.00 C ATOM 54 CD ARG A 4 20.254 45.928 7.314 1.00 0.00 C ATOM 55 NE ARG A 4 19.195 46.555 6.499 1.00 0.00 N ATOM 56 CZ ARG A 4 18.377 47.532 6.875 1.00 0.00 C ATOM 57 NH1 ARG A 4 18.425 48.064 8.080 1.00 0.00 N ATOM 58 NH2 ARG A 4 17.486 47.999 6.026 1.00 0.00 N ATOM 0 H ARG A 4 21.276 42.124 7.914 1.00 0.00 H new ATOM 0 HA ARG A 4 18.899 43.685 8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 4 20.319 42.741 5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 4 18.986 43.878 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 4 21.689 44.329 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 4 21.225 44.972 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 4 19.848 45.650 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 4 21.049 46.651 7.496 1.00 0.00 H new ATOM 0 HE ARG A 4 19.079 46.202 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 4 19.107 47.727 8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 4 17.780 48.813 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 4 17.426 47.611 5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.856 48.749 6.309 1.00 0.00 H new ATOM 72 N ARG A 5 16.976 42.269 7.630 1.00 0.00 N ATOM 73 CA ARG A 5 15.770 41.436 7.456 1.00 0.00 C ATOM 74 C ARG A 5 14.489 42.279 7.329 1.00 0.00 C ATOM 75 O ARG A 5 14.432 43.417 7.802 1.00 0.00 O ATOM 76 CB ARG A 5 15.642 40.396 8.595 1.00 0.00 C ATOM 77 CG ARG A 5 15.511 41.017 10.000 1.00 0.00 C ATOM 78 CD ARG A 5 15.241 39.974 11.093 1.00 0.00 C ATOM 79 NE ARG A 5 16.391 39.072 11.303 1.00 0.00 N ATOM 80 CZ ARG A 5 16.498 37.796 10.939 1.00 0.00 C ATOM 81 NH1 ARG A 5 15.556 37.173 10.260 1.00 0.00 N ATOM 82 NH2 ARG A 5 17.576 37.116 11.262 1.00 0.00 N ATOM 0 H ARG A 5 16.750 43.232 7.879 1.00 0.00 H new ATOM 0 HA ARG A 5 15.890 40.899 6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.771 39.768 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 5 16.515 39.744 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.427 41.557 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.702 41.747 9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.006 40.483 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.365 39.385 10.822 1.00 0.00 H new ATOM 0 HE ARG A 5 17.197 39.473 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.706 37.670 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.677 36.194 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.324 37.566 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.664 36.138 10.986 1.00 0.00 H new ATOM 96 N GLY A 6 13.454 41.693 6.718 1.00 0.00 N ATOM 97 CA GLY A 6 12.073 42.204 6.687 1.00 0.00 C ATOM 98 C GLY A 6 11.131 41.391 7.581 1.00 0.00 C ATOM 99 O GLY A 6 11.559 40.494 8.309 1.00 0.00 O ATOM 0 H GLY A 6 13.556 40.814 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.066 43.246 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.704 42.184 5.662 1.00 0.00 H new ATOM 103 N HIS A 7 9.836 41.694 7.509 1.00 0.00 N ATOM 104 CA HIS A 7 8.773 40.891 8.131 1.00 0.00 C ATOM 105 C HIS A 7 8.359 39.698 7.230 1.00 0.00 C ATOM 106 O HIS A 7 8.586 39.722 6.015 1.00 0.00 O ATOM 107 CB HIS A 7 7.574 41.803 8.448 1.00 0.00 C ATOM 108 CG HIS A 7 7.895 42.903 9.433 1.00 0.00 C ATOM 109 ND1 HIS A 7 7.989 44.249 9.157 1.00 0.00 N ATOM 110 CD2 HIS A 7 8.151 42.748 10.770 1.00 0.00 C ATOM 111 CE1 HIS A 7 8.297 44.888 10.300 1.00 0.00 C ATOM 112 NE2 HIS A 7 8.406 44.013 11.318 1.00 0.00 N ATOM 0 H HIS A 7 9.486 42.513 7.012 1.00 0.00 H new ATOM 0 HA HIS A 7 9.149 40.461 9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.213 42.250 7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.761 41.196 8.846 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.156 41.812 11.309 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.437 45.955 10.389 1.00 0.00 H new ATOM 0 HE2 HIS A 7 8.629 44.227 12.290 1.00 0.00 H new ATOM 120 N VAL A 8 7.738 38.658 7.807 1.00 0.00 N ATOM 121 CA VAL A 8 7.299 37.456 7.062 1.00 0.00 C ATOM 122 C VAL A 8 6.203 37.785 6.032 1.00 0.00 C ATOM 123 O VAL A 8 5.310 38.595 6.293 1.00 0.00 O ATOM 124 CB VAL A 8 6.883 36.300 8.011 1.00 0.00 C ATOM 125 CG1 VAL A 8 5.562 36.550 8.760 1.00 0.00 C ATOM 126 CG2 VAL A 8 6.803 34.954 7.272 1.00 0.00 C ATOM 0 H VAL A 8 7.523 38.621 8.803 1.00 0.00 H new ATOM 0 HA VAL A 8 8.162 37.101 6.499 1.00 0.00 H new ATOM 0 HB VAL A 8 7.676 36.261 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.341 35.697 9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.654 37.449 9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.754 36.681 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.509 34.172 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.066 35.021 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.778 34.713 6.848 1.00 0.00 H new ATOM 136 N ALA A 9 6.277 37.141 4.864 1.00 0.00 N ATOM 137 CA ALA A 9 5.325 37.255 3.752 1.00 0.00 C ATOM 138 C ALA A 9 4.802 35.861 3.324 1.00 0.00 C ATOM 139 O ALA A 9 5.516 34.869 3.527 1.00 0.00 O ATOM 140 CB ALA A 9 6.050 37.971 2.599 1.00 0.00 C ATOM 0 H ALA A 9 7.038 36.495 4.657 1.00 0.00 H new ATOM 0 HA ALA A 9 4.449 37.829 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.372 38.075 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.372 38.959 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.920 37.388 2.298 1.00 0.00 H new ATOM 146 N PRO A 10 3.594 35.761 2.726 1.00 0.00 N ATOM 147 CA PRO A 10 3.018 34.488 2.296 1.00 0.00 C ATOM 148 C PRO A 10 3.856 33.859 1.178 1.00 0.00 C ATOM 149 O PRO A 10 4.135 34.484 0.153 1.00 0.00 O ATOM 150 CB PRO A 10 1.584 34.803 1.852 1.00 0.00 C ATOM 151 CG PRO A 10 1.641 36.279 1.464 1.00 0.00 C ATOM 152 CD PRO A 10 2.670 36.850 2.437 1.00 0.00 C ATOM 0 HA PRO A 10 3.011 33.751 3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.279 34.180 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.868 34.627 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.949 36.412 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.670 36.763 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.193 37.700 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.190 37.207 3.348 1.00 0.00 H new ATOM 160 N GLN A 11 4.260 32.606 1.395 1.00 0.00 N ATOM 161 CA GLN A 11 5.032 31.793 0.457 1.00 0.00 C ATOM 162 C GLN A 11 4.111 31.136 -0.590 1.00 0.00 C ATOM 163 O GLN A 11 2.883 31.133 -0.449 1.00 0.00 O ATOM 164 CB GLN A 11 5.829 30.715 1.229 1.00 0.00 C ATOM 165 CG GLN A 11 6.713 31.243 2.382 1.00 0.00 C ATOM 166 CD GLN A 11 5.986 31.486 3.717 1.00 0.00 C ATOM 167 OE1 GLN A 11 4.788 31.277 3.879 1.00 0.00 O ATOM 168 NE2 GLN A 11 6.688 31.930 4.742 1.00 0.00 N ATOM 0 H GLN A 11 4.050 32.112 2.262 1.00 0.00 H new ATOM 0 HA GLN A 11 5.731 32.442 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.125 29.989 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.464 30.181 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.521 30.531 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.174 32.178 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.686 32.112 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.233 32.091 5.641 1.00 0.00 H new ATOM 177 N ASN A 12 4.690 30.524 -1.631 1.00 0.00 N ATOM 178 CA ASN A 12 3.937 29.674 -2.551 1.00 0.00 C ATOM 179 C ASN A 12 3.554 28.345 -1.873 1.00 0.00 C ATOM 180 O ASN A 12 4.297 27.815 -1.042 1.00 0.00 O ATOM 181 CB ASN A 12 4.708 29.491 -3.872 1.00 0.00 C ATOM 182 CG ASN A 12 6.167 29.052 -3.724 1.00 0.00 C ATOM 183 OD1 ASN A 12 7.084 29.756 -4.128 1.00 0.00 O ATOM 184 ND2 ASN A 12 6.439 27.900 -3.139 1.00 0.00 N ATOM 0 H ASN A 12 5.682 30.605 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 12 2.998 30.163 -2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.184 28.753 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.683 30.432 -4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.408 27.602 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.680 27.308 -2.800 1.00 0.00 H new ATOM 191 N THR A 13 2.400 27.795 -2.259 1.00 0.00 N ATOM 192 CA THR A 13 1.782 26.591 -1.661 1.00 0.00 C ATOM 193 C THR A 13 1.586 25.476 -2.685 1.00 0.00 C ATOM 194 O THR A 13 1.892 24.321 -2.393 1.00 0.00 O ATOM 195 CB THR A 13 0.445 26.960 -1.001 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.367 27.642 -1.939 1.00 0.00 O ATOM 197 CG2 THR A 13 0.655 27.871 0.216 1.00 0.00 C ATOM 0 H THR A 13 1.845 28.183 -3.022 1.00 0.00 H new ATOM 0 HA THR A 13 2.466 26.210 -0.902 1.00 0.00 H new ATOM 0 HB THR A 13 -0.034 26.038 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.222 27.877 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.311 28.113 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.274 27.358 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.151 28.789 -0.098 1.00 0.00 H new ATOM 205 N PHE A 14 1.152 25.818 -3.904 1.00 0.00 N ATOM 206 CA PHE A 14 1.023 24.877 -5.020 1.00 0.00 C ATOM 207 C PHE A 14 2.396 24.451 -5.544 1.00 0.00 C ATOM 208 O PHE A 14 2.724 23.266 -5.539 1.00 0.00 O ATOM 209 CB PHE A 14 0.184 25.529 -6.126 1.00 0.00 C ATOM 210 CG PHE A 14 -0.244 24.561 -7.214 1.00 0.00 C ATOM 211 CD1 PHE A 14 -1.438 23.829 -7.074 1.00 0.00 C ATOM 212 CD2 PHE A 14 0.560 24.370 -8.357 1.00 0.00 C ATOM 213 CE1 PHE A 14 -1.828 22.914 -8.069 1.00 0.00 C ATOM 214 CE2 PHE A 14 0.168 23.458 -9.353 1.00 0.00 C ATOM 215 CZ PHE A 14 -1.025 22.728 -9.209 1.00 0.00 C ATOM 0 H PHE A 14 0.877 26.770 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 14 0.521 23.973 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.704 25.978 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.758 26.339 -6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.057 23.970 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.479 24.926 -8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.745 22.354 -7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.784 23.318 -10.229 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.325 22.025 -9.973 1.00 0.00 H new ATOM 225 N LEU A 15 3.227 25.429 -5.934 1.00 0.00 N ATOM 226 CA LEU A 15 4.585 25.213 -6.453 1.00 0.00 C ATOM 227 C LEU A 15 5.457 24.454 -5.446 1.00 0.00 C ATOM 228 O LEU A 15 6.250 23.603 -5.835 1.00 0.00 O ATOM 229 CB LEU A 15 5.185 26.585 -6.822 1.00 0.00 C ATOM 230 CG LEU A 15 6.653 26.536 -7.291 1.00 0.00 C ATOM 231 CD1 LEU A 15 6.837 25.722 -8.579 1.00 0.00 C ATOM 232 CD2 LEU A 15 7.174 27.961 -7.519 1.00 0.00 C ATOM 0 H LEU A 15 2.967 26.415 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 15 4.546 24.587 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.580 27.032 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.115 27.243 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 15 7.221 26.040 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.890 25.722 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.506 24.697 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.246 26.168 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.212 27.920 -7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.569 28.452 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.112 28.524 -6.588 1.00 0.00 H new ATOM 244 N ASP A 16 5.248 24.689 -4.152 1.00 0.00 N ATOM 245 CA ASP A 16 5.944 23.986 -3.062 1.00 0.00 C ATOM 246 C ASP A 16 5.713 22.467 -3.047 1.00 0.00 C ATOM 247 O ASP A 16 6.563 21.718 -2.565 1.00 0.00 O ATOM 248 CB ASP A 16 5.468 24.584 -1.742 1.00 0.00 C ATOM 249 CG ASP A 16 6.423 24.251 -0.586 1.00 0.00 C ATOM 250 OD1 ASP A 16 7.468 24.932 -0.458 1.00 0.00 O ATOM 251 OD2 ASP A 16 6.125 23.310 0.188 1.00 0.00 O ATOM 0 H ASP A 16 4.580 25.384 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 16 7.014 24.122 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.383 25.666 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.472 24.207 -1.510 1.00 0.00 H new ATOM 256 N THR A 17 4.584 22.023 -3.608 1.00 0.00 N ATOM 257 CA THR A 17 4.258 20.603 -3.828 1.00 0.00 C ATOM 258 C THR A 17 4.903 20.090 -5.114 1.00 0.00 C ATOM 259 O THR A 17 5.324 18.938 -5.167 1.00 0.00 O ATOM 260 CB THR A 17 2.733 20.397 -3.841 1.00 0.00 C ATOM 261 OG1 THR A 17 2.198 20.842 -2.610 1.00 0.00 O ATOM 262 CG2 THR A 17 2.338 18.925 -3.988 1.00 0.00 C ATOM 0 H THR A 17 3.850 22.654 -3.931 1.00 0.00 H new ATOM 0 HA THR A 17 4.667 20.021 -3.002 1.00 0.00 H new ATOM 0 HB THR A 17 2.347 20.955 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.226 20.716 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.251 18.838 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.736 18.533 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.745 18.354 -3.154 1.00 0.00 H new ATOM 270 N ILE A 18 5.040 20.942 -6.136 1.00 0.00 N ATOM 271 CA ILE A 18 5.675 20.585 -7.424 1.00 0.00 C ATOM 272 C ILE A 18 7.192 20.456 -7.284 1.00 0.00 C ATOM 273 O ILE A 18 7.776 19.535 -7.843 1.00 0.00 O ATOM 274 CB ILE A 18 5.300 21.611 -8.522 1.00 0.00 C ATOM 275 CG1 ILE A 18 3.788 21.916 -8.600 1.00 0.00 C ATOM 276 CG2 ILE A 18 5.820 21.165 -9.901 1.00 0.00 C ATOM 277 CD1 ILE A 18 2.871 20.700 -8.782 1.00 0.00 C ATOM 0 H ILE A 18 4.713 21.908 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 18 5.293 19.610 -7.725 1.00 0.00 H new ATOM 0 HB ILE A 18 5.791 22.539 -8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.494 22.436 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.617 22.603 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.542 21.905 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.906 21.072 -9.868 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.381 20.202 -10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.833 21.030 -8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.126 20.187 -9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.001 20.017 -7.942 1.00 0.00 H new ATOM 289 N ILE A 19 7.840 21.312 -6.490 1.00 0.00 N ATOM 290 CA ILE A 19 9.293 21.248 -6.221 1.00 0.00 C ATOM 291 C ILE A 19 9.704 19.855 -5.716 1.00 0.00 C ATOM 292 O ILE A 19 10.716 19.316 -6.155 1.00 0.00 O ATOM 293 CB ILE A 19 9.683 22.392 -5.250 1.00 0.00 C ATOM 294 CG1 ILE A 19 9.627 23.746 -6.001 1.00 0.00 C ATOM 295 CG2 ILE A 19 11.086 22.189 -4.641 1.00 0.00 C ATOM 296 CD1 ILE A 19 9.544 24.960 -5.068 1.00 0.00 C ATOM 0 H ILE A 19 7.373 22.080 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 19 9.848 21.397 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 19 8.969 22.387 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.512 23.841 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.763 23.749 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.314 23.016 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 19 11.109 21.252 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.828 22.156 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.508 25.873 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.644 24.889 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.421 24.982 -4.421 1.00 0.00 H new ATOM 308 N ARG A 20 8.876 19.223 -4.880 1.00 0.00 N ATOM 309 CA ARG A 20 9.111 17.872 -4.333 1.00 0.00 C ATOM 310 C ARG A 20 9.181 16.787 -5.425 1.00 0.00 C ATOM 311 O ARG A 20 9.848 15.768 -5.247 1.00 0.00 O ATOM 312 CB ARG A 20 8.008 17.524 -3.314 1.00 0.00 C ATOM 313 CG ARG A 20 7.882 18.566 -2.191 1.00 0.00 C ATOM 314 CD ARG A 20 6.663 18.320 -1.296 1.00 0.00 C ATOM 315 NE ARG A 20 6.330 19.533 -0.523 1.00 0.00 N ATOM 316 CZ ARG A 20 5.708 19.593 0.648 1.00 0.00 C ATOM 317 NH1 ARG A 20 5.301 18.514 1.286 1.00 0.00 N ATOM 318 NH2 ARG A 20 5.479 20.762 1.204 1.00 0.00 N ATOM 0 H ARG A 20 8.004 19.640 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 20 10.084 17.889 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.054 17.440 -3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.220 16.549 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.785 18.549 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.812 19.561 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.810 18.027 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.866 17.493 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 20 6.609 20.424 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.461 17.591 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.826 18.601 2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.779 21.617 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.001 20.814 2.104 1.00 0.00 H new ATOM 332 N LYS A 21 8.533 17.006 -6.575 1.00 0.00 N ATOM 333 CA LYS A 21 8.588 16.123 -7.752 1.00 0.00 C ATOM 334 C LYS A 21 9.933 16.263 -8.497 1.00 0.00 C ATOM 335 O LYS A 21 10.511 15.263 -8.926 1.00 0.00 O ATOM 336 CB LYS A 21 7.402 16.454 -8.684 1.00 0.00 C ATOM 337 CG LYS A 21 6.029 16.386 -7.989 1.00 0.00 C ATOM 338 CD LYS A 21 4.872 16.797 -8.911 1.00 0.00 C ATOM 339 CE LYS A 21 4.696 15.832 -10.096 1.00 0.00 C ATOM 340 NZ LYS A 21 3.514 16.184 -10.932 1.00 0.00 N ATOM 0 H LYS A 21 7.940 17.823 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 21 8.513 15.086 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.542 17.454 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.408 15.761 -9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.859 15.371 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.038 17.036 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.947 16.833 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.052 17.803 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.594 15.848 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.585 14.814 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.432 15.509 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.653 16.144 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.631 17.145 -11.311 1.00 0.00 H new ATOM 354 N PHE A 22 10.458 17.493 -8.588 1.00 0.00 N ATOM 355 CA PHE A 22 11.751 17.820 -9.207 1.00 0.00 C ATOM 356 C PHE A 22 12.961 17.569 -8.285 1.00 0.00 C ATOM 357 O PHE A 22 14.068 17.368 -8.789 1.00 0.00 O ATOM 358 CB PHE A 22 11.716 19.276 -9.699 1.00 0.00 C ATOM 359 CG PHE A 22 10.910 19.464 -10.973 1.00 0.00 C ATOM 360 CD1 PHE A 22 11.541 19.336 -12.227 1.00 0.00 C ATOM 361 CD2 PHE A 22 9.532 19.744 -10.916 1.00 0.00 C ATOM 362 CE1 PHE A 22 10.799 19.488 -13.411 1.00 0.00 C ATOM 363 CE2 PHE A 22 8.789 19.890 -12.101 1.00 0.00 C ATOM 364 CZ PHE A 22 9.422 19.764 -13.350 1.00 0.00 C ATOM 0 H PHE A 22 9.979 18.315 -8.221 1.00 0.00 H new ATOM 0 HA PHE A 22 11.892 17.143 -10.049 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.295 19.906 -8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 22 12.737 19.618 -9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 22 12.598 19.120 -12.278 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.043 19.847 -9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.288 19.393 -14.369 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.731 20.099 -12.052 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.852 19.879 -14.260 1.00 0.00 H new ATOM 374 N GLU A 23 12.768 17.525 -6.960 1.00 0.00 N ATOM 375 CA GLU A 23 13.815 17.152 -5.990 1.00 0.00 C ATOM 376 C GLU A 23 14.317 15.709 -6.188 1.00 0.00 C ATOM 377 O GLU A 23 15.488 15.421 -5.922 1.00 0.00 O ATOM 378 CB GLU A 23 13.286 17.317 -4.555 1.00 0.00 C ATOM 379 CG GLU A 23 13.287 18.772 -4.072 1.00 0.00 C ATOM 380 CD GLU A 23 14.697 19.247 -3.690 1.00 0.00 C ATOM 381 OE1 GLU A 23 15.147 18.970 -2.553 1.00 0.00 O ATOM 382 OE2 GLU A 23 15.368 19.912 -4.517 1.00 0.00 O ATOM 0 H GLU A 23 11.874 17.749 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 23 14.659 17.821 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.270 16.925 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.895 16.717 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.887 19.415 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.625 18.869 -3.211 1.00 0.00 H new ATOM 389 N GLY A 24 13.453 14.815 -6.691 1.00 0.00 N ATOM 390 CA GLY A 24 13.788 13.454 -7.112 1.00 0.00 C ATOM 391 C GLY A 24 13.155 12.420 -6.193 1.00 0.00 C ATOM 392 O GLY A 24 13.754 12.044 -5.185 1.00 0.00 O ATOM 0 H GLY A 24 12.465 15.032 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.446 13.293 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.871 13.328 -7.114 1.00 0.00 H new ATOM 396 N GLN A 25 11.956 11.954 -6.570 1.00 0.00 N ATOM 397 CA GLN A 25 11.284 10.772 -6.002 1.00 0.00 C ATOM 398 C GLN A 25 10.991 10.931 -4.493 1.00 0.00 C ATOM 399 O GLN A 25 11.118 9.988 -3.711 1.00 0.00 O ATOM 400 CB GLN A 25 12.110 9.517 -6.348 1.00 0.00 C ATOM 401 CG GLN A 25 12.165 9.227 -7.859 1.00 0.00 C ATOM 402 CD GLN A 25 12.983 7.972 -8.175 1.00 0.00 C ATOM 403 OE1 GLN A 25 12.456 6.917 -8.509 1.00 0.00 O ATOM 404 NE2 GLN A 25 14.298 8.024 -8.080 1.00 0.00 N ATOM 0 H GLN A 25 11.407 12.403 -7.303 1.00 0.00 H new ATOM 0 HA GLN A 25 10.298 10.660 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.125 9.642 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.683 8.656 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.152 9.104 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.600 10.082 -8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.755 8.893 -7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.857 7.195 -8.283 1.00 0.00 H new ATOM 413 N SER A 26 10.618 12.146 -4.067 1.00 0.00 N ATOM 414 CA SER A 26 10.428 12.493 -2.646 1.00 0.00 C ATOM 415 C SER A 26 9.167 11.857 -2.021 1.00 0.00 C ATOM 416 O SER A 26 9.121 11.623 -0.807 1.00 0.00 O ATOM 417 CB SER A 26 10.386 14.027 -2.525 1.00 0.00 C ATOM 418 OG SER A 26 10.418 14.488 -1.179 1.00 0.00 O ATOM 0 H SER A 26 10.438 12.924 -4.702 1.00 0.00 H new ATOM 0 HA SER A 26 11.267 12.083 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.232 14.450 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.481 14.398 -3.007 1.00 0.00 H new ATOM 0 HG SER A 26 10.390 15.468 -1.168 1.00 0.00 H new ATOM 424 N ARG A 27 8.148 11.533 -2.839 1.00 0.00 N ATOM 425 CA ARG A 27 6.944 10.822 -2.384 1.00 0.00 C ATOM 426 C ARG A 27 7.241 9.337 -2.140 1.00 0.00 C ATOM 427 O ARG A 27 8.163 8.750 -2.707 1.00 0.00 O ATOM 428 CB ARG A 27 5.757 10.977 -3.350 1.00 0.00 C ATOM 429 CG ARG A 27 5.143 12.388 -3.364 1.00 0.00 C ATOM 430 CD ARG A 27 5.851 13.402 -4.276 1.00 0.00 C ATOM 431 NE ARG A 27 5.824 12.981 -5.694 1.00 0.00 N ATOM 432 CZ ARG A 27 4.778 12.978 -6.518 1.00 0.00 C ATOM 433 NH1 ARG A 27 3.609 13.473 -6.173 1.00 0.00 N ATOM 434 NH2 ARG A 27 4.902 12.466 -7.723 1.00 0.00 N ATOM 0 H ARG A 27 8.139 11.758 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 27 6.653 11.287 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.087 10.725 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.984 10.258 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.101 12.310 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.144 12.777 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.372 14.376 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.885 13.521 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 27 6.708 12.656 -6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.480 13.878 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.831 13.452 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.795 12.074 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.105 12.460 -8.359 1.00 0.00 H new ATOM 448 N LYS A 28 6.426 8.702 -1.301 1.00 0.00 N ATOM 449 CA LYS A 28 6.591 7.303 -0.898 1.00 0.00 C ATOM 450 C LYS A 28 5.838 6.362 -1.850 1.00 0.00 C ATOM 451 O LYS A 28 4.712 6.647 -2.248 1.00 0.00 O ATOM 452 CB LYS A 28 6.138 7.144 0.567 1.00 0.00 C ATOM 453 CG LYS A 28 6.932 8.055 1.514 1.00 0.00 C ATOM 454 CD LYS A 28 6.276 9.391 1.862 1.00 0.00 C ATOM 455 CE LYS A 28 7.348 10.424 2.236 1.00 0.00 C ATOM 456 NZ LYS A 28 8.112 10.132 3.490 1.00 0.00 N ATOM 0 H LYS A 28 5.617 9.152 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 28 7.642 7.023 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.076 7.376 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.261 6.105 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.117 7.511 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.904 8.256 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.694 9.751 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.582 9.259 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.055 10.504 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.869 11.398 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.876 10.829 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.471 10.187 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.520 9.177 3.433 1.00 0.00 H new ATOM 470 N PHE A 29 6.441 5.220 -2.180 1.00 0.00 N ATOM 471 CA PHE A 29 5.855 4.189 -3.043 1.00 0.00 C ATOM 472 C PHE A 29 6.553 2.834 -2.925 1.00 0.00 C ATOM 473 O PHE A 29 7.725 2.743 -2.557 1.00 0.00 O ATOM 474 CB PHE A 29 5.810 4.658 -4.510 1.00 0.00 C ATOM 475 CG PHE A 29 7.154 5.053 -5.100 1.00 0.00 C ATOM 476 CD1 PHE A 29 8.031 4.069 -5.597 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.534 6.409 -5.145 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.285 4.437 -6.119 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.784 6.777 -5.672 1.00 0.00 C ATOM 480 CZ PHE A 29 9.662 5.791 -6.155 1.00 0.00 C ATOM 0 H PHE A 29 7.374 4.978 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 29 4.835 4.040 -2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.384 3.860 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.134 5.510 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.740 3.029 -5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.862 7.169 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.958 3.679 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.070 7.818 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.625 6.073 -6.553 1.00 0.00 H new ATOM 490 N ILE A 30 5.815 1.783 -3.283 1.00 0.00 N ATOM 491 CA ILE A 30 6.260 0.385 -3.334 1.00 0.00 C ATOM 492 C ILE A 30 5.656 -0.325 -4.551 1.00 0.00 C ATOM 493 O ILE A 30 4.563 0.018 -4.993 1.00 0.00 O ATOM 494 CB ILE A 30 5.923 -0.349 -2.011 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.400 -0.485 -1.784 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.594 0.349 -0.813 1.00 0.00 C ATOM 497 CD1 ILE A 30 4.050 -0.991 -0.383 1.00 0.00 C ATOM 0 H ILE A 30 4.839 1.887 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 30 7.344 0.366 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 30 6.323 -1.359 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.926 0.483 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.987 -1.169 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.344 -0.183 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.675 0.348 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.238 1.377 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.967 -1.066 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.498 -1.973 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.436 -0.295 0.362 1.00 0.00 H new ATOM 509 N ILE A 31 6.363 -1.315 -5.089 1.00 0.00 N ATOM 510 CA ILE A 31 5.944 -2.150 -6.224 1.00 0.00 C ATOM 511 C ILE A 31 5.646 -3.555 -5.706 1.00 0.00 C ATOM 512 O ILE A 31 6.443 -4.127 -4.963 1.00 0.00 O ATOM 513 CB ILE A 31 7.032 -2.216 -7.326 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.581 -0.809 -7.669 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.476 -2.933 -8.577 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.634 -0.785 -8.784 1.00 0.00 C ATOM 0 H ILE A 31 7.284 -1.573 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 31 5.055 -1.707 -6.673 1.00 0.00 H new ATOM 0 HB ILE A 31 7.873 -2.795 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.748 -0.170 -7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.015 -0.374 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.248 -2.974 -9.346 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.174 -3.946 -8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.614 -2.385 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.960 0.241 -8.955 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.489 -1.393 -8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.202 -1.186 -9.701 1.00 0.00 H new ATOM 528 N ALA A 32 4.534 -4.130 -6.146 1.00 0.00 N ATOM 529 CA ALA A 32 4.101 -5.478 -5.809 1.00 0.00 C ATOM 530 C ALA A 32 3.714 -6.263 -7.066 1.00 0.00 C ATOM 531 O ALA A 32 3.198 -5.695 -8.028 1.00 0.00 O ATOM 532 CB ALA A 32 2.931 -5.330 -4.839 1.00 0.00 C ATOM 0 H ALA A 32 3.885 -3.651 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 32 4.906 -6.048 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.568 -6.317 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.262 -4.794 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.127 -4.773 -5.320 1.00 0.00 H new ATOM 538 N ASN A 33 3.925 -7.580 -7.050 1.00 0.00 N ATOM 539 CA ASN A 33 3.412 -8.465 -8.097 1.00 0.00 C ATOM 540 C ASN A 33 1.875 -8.509 -8.037 1.00 0.00 C ATOM 541 O ASN A 33 1.306 -8.806 -6.990 1.00 0.00 O ATOM 542 CB ASN A 33 4.014 -9.877 -7.930 1.00 0.00 C ATOM 543 CG ASN A 33 5.270 -10.137 -8.763 1.00 0.00 C ATOM 544 OD1 ASN A 33 5.511 -9.524 -9.795 1.00 0.00 O ATOM 545 ND2 ASN A 33 6.090 -11.089 -8.355 1.00 0.00 N ATOM 0 H ASN A 33 4.451 -8.059 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 33 3.705 -8.081 -9.074 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.253 -10.034 -6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.257 -10.614 -8.198 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.923 -11.313 -8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.890 -11.600 -7.495 1.00 0.00 H new ATOM 552 N ALA A 34 1.198 -8.264 -9.163 1.00 0.00 N ATOM 553 CA ALA A 34 -0.261 -8.424 -9.269 1.00 0.00 C ATOM 554 C ALA A 34 -0.683 -9.903 -9.365 1.00 0.00 C ATOM 555 O ALA A 34 -1.744 -10.291 -8.878 1.00 0.00 O ATOM 556 CB ALA A 34 -0.754 -7.632 -10.488 1.00 0.00 C ATOM 0 H ALA A 34 1.642 -7.950 -10.026 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.720 -8.036 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.835 -7.741 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.505 -6.578 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.273 -8.014 -11.389 1.00 0.00 H new ATOM 562 N ARG A 35 0.171 -10.755 -9.953 1.00 0.00 N ATOM 563 CA ARG A 35 -0.108 -12.164 -10.290 1.00 0.00 C ATOM 564 C ARG A 35 0.039 -13.114 -9.081 1.00 0.00 C ATOM 565 O ARG A 35 0.652 -14.179 -9.175 1.00 0.00 O ATOM 566 CB ARG A 35 0.751 -12.588 -11.501 1.00 0.00 C ATOM 567 CG ARG A 35 0.535 -11.674 -12.724 1.00 0.00 C ATOM 568 CD ARG A 35 1.164 -12.244 -14.001 1.00 0.00 C ATOM 569 NE ARG A 35 2.634 -12.344 -13.903 1.00 0.00 N ATOM 570 CZ ARG A 35 3.424 -13.107 -14.654 1.00 0.00 C ATOM 571 NH1 ARG A 35 2.951 -13.863 -15.625 1.00 0.00 N ATOM 572 NH2 ARG A 35 4.721 -13.121 -14.436 1.00 0.00 N ATOM 0 H ARG A 35 1.114 -10.472 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.157 -12.246 -10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.804 -12.571 -11.220 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.510 -13.616 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.534 -11.530 -12.882 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.962 -10.692 -12.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.747 -13.231 -14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.900 -11.610 -14.848 1.00 0.00 H new ATOM 0 HE ARG A 35 3.088 -11.773 -13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.950 -13.875 -15.820 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.586 -14.436 -16.181 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.119 -12.548 -13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.328 -13.705 -15.011 1.00 0.00 H new ATOM 586 N VAL A 36 -0.502 -12.705 -7.931 1.00 0.00 N ATOM 587 CA VAL A 36 -0.478 -13.429 -6.643 1.00 0.00 C ATOM 588 C VAL A 36 -1.556 -12.871 -5.708 1.00 0.00 C ATOM 589 O VAL A 36 -1.742 -11.659 -5.644 1.00 0.00 O ATOM 590 CB VAL A 36 0.930 -13.420 -5.987 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.436 -12.027 -5.590 1.00 0.00 C ATOM 592 CG2 VAL A 36 1.001 -14.370 -4.783 1.00 0.00 C ATOM 0 H VAL A 36 -0.996 -11.815 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.705 -14.477 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 36 1.599 -13.777 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.425 -12.114 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.495 -11.395 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.748 -11.581 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.001 -14.336 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.272 -14.063 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.781 -15.387 -5.108 1.00 0.00 H new ATOM 602 N GLU A 37 -2.260 -13.751 -4.987 1.00 0.00 N ATOM 603 CA GLU A 37 -3.436 -13.400 -4.171 1.00 0.00 C ATOM 604 C GLU A 37 -3.128 -12.340 -3.098 1.00 0.00 C ATOM 605 O GLU A 37 -3.908 -11.409 -2.891 1.00 0.00 O ATOM 606 CB GLU A 37 -3.975 -14.691 -3.528 1.00 0.00 C ATOM 607 CG GLU A 37 -5.308 -14.490 -2.795 1.00 0.00 C ATOM 608 CD GLU A 37 -5.846 -15.828 -2.267 1.00 0.00 C ATOM 609 OE1 GLU A 37 -5.488 -16.226 -1.133 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.636 -16.494 -2.979 1.00 0.00 O ATOM 0 H GLU A 37 -2.028 -14.744 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.187 -12.950 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.104 -15.448 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.236 -15.075 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.172 -13.795 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.036 -14.041 -3.471 1.00 0.00 H new ATOM 617 N ASN A 38 -1.968 -12.457 -2.442 1.00 0.00 N ATOM 618 CA ASN A 38 -1.523 -11.527 -1.396 1.00 0.00 C ATOM 619 C ASN A 38 -0.963 -10.188 -1.929 1.00 0.00 C ATOM 620 O ASN A 38 -0.881 -9.231 -1.159 1.00 0.00 O ATOM 621 CB ASN A 38 -0.502 -12.245 -0.493 1.00 0.00 C ATOM 622 CG ASN A 38 0.681 -12.835 -1.259 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.353 -12.158 -2.024 1.00 0.00 O ATOM 624 ND2 ASN A 38 0.933 -14.124 -1.121 1.00 0.00 N ATOM 0 H ASN A 38 -1.303 -13.209 -2.624 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.404 -11.242 -0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.128 -11.541 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.008 -13.044 0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.689 -14.556 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.372 -14.688 -0.483 1.00 0.00 H new ATOM 631 N CYS A 39 -0.553 -10.108 -3.206 1.00 0.00 N ATOM 632 CA CYS A 39 0.143 -8.945 -3.789 1.00 0.00 C ATOM 633 C CYS A 39 1.366 -8.507 -2.949 1.00 0.00 C ATOM 634 O CYS A 39 1.430 -7.378 -2.456 1.00 0.00 O ATOM 635 CB CYS A 39 -0.864 -7.815 -4.073 1.00 0.00 C ATOM 636 SG CYS A 39 -2.025 -8.333 -5.372 1.00 0.00 S ATOM 0 H CYS A 39 -0.698 -10.863 -3.876 1.00 0.00 H new ATOM 0 HA CYS A 39 0.570 -9.236 -4.749 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.410 -7.566 -3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.335 -6.914 -4.384 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.958 -9.622 -5.525 1.00 0.00 H new ATOM 642 N ALA A 40 2.318 -9.422 -2.740 1.00 0.00 N ATOM 643 CA ALA A 40 3.550 -9.181 -1.984 1.00 0.00 C ATOM 644 C ALA A 40 4.436 -8.080 -2.605 1.00 0.00 C ATOM 645 O ALA A 40 4.594 -8.028 -3.826 1.00 0.00 O ATOM 646 CB ALA A 40 4.320 -10.503 -1.853 1.00 0.00 C ATOM 0 H ALA A 40 2.251 -10.374 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 40 3.272 -8.811 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.239 -10.335 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.703 -11.233 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.565 -10.881 -2.845 1.00 0.00 H new ATOM 652 N VAL A 41 5.058 -7.244 -1.761 1.00 0.00 N ATOM 653 CA VAL A 41 6.043 -6.222 -2.183 1.00 0.00 C ATOM 654 C VAL A 41 7.272 -6.904 -2.790 1.00 0.00 C ATOM 655 O VAL A 41 7.912 -7.734 -2.144 1.00 0.00 O ATOM 656 CB VAL A 41 6.484 -5.280 -1.029 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.477 -4.206 -1.490 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.258 -4.570 -0.429 1.00 0.00 C ATOM 0 H VAL A 41 4.894 -7.254 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 41 5.547 -5.599 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 41 6.975 -5.910 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.751 -3.576 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.371 -4.685 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.016 -3.593 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.578 -3.912 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.764 -3.981 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.562 -5.313 -0.038 1.00 0.00 H new ATOM 668 N ILE A 42 7.607 -6.517 -4.023 1.00 0.00 N ATOM 669 CA ILE A 42 8.833 -6.928 -4.737 1.00 0.00 C ATOM 670 C ILE A 42 9.893 -5.822 -4.757 1.00 0.00 C ATOM 671 O ILE A 42 11.076 -6.116 -4.931 1.00 0.00 O ATOM 672 CB ILE A 42 8.516 -7.393 -6.177 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.808 -6.318 -7.033 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.702 -8.693 -6.118 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.643 -6.709 -8.504 1.00 0.00 C ATOM 0 H ILE A 42 7.020 -5.891 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 42 9.246 -7.770 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 42 9.465 -7.574 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.825 -6.118 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.375 -5.389 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.475 -9.026 -7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.280 -9.461 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.772 -8.516 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.138 -5.905 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.624 -6.880 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.049 -7.620 -8.574 1.00 0.00 H new ATOM 687 N TYR A 43 9.487 -4.566 -4.541 1.00 0.00 N ATOM 688 CA TYR A 43 10.387 -3.414 -4.473 1.00 0.00 C ATOM 689 C TYR A 43 9.789 -2.260 -3.656 1.00 0.00 C ATOM 690 O TYR A 43 8.578 -2.071 -3.627 1.00 0.00 O ATOM 691 CB TYR A 43 10.740 -2.952 -5.898 1.00 0.00 C ATOM 692 CG TYR A 43 12.022 -2.141 -5.937 1.00 0.00 C ATOM 693 CD1 TYR A 43 13.260 -2.786 -5.757 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.971 -0.737 -6.055 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.447 -2.032 -5.686 1.00 0.00 C ATOM 696 CE2 TYR A 43 13.156 0.022 -5.984 1.00 0.00 C ATOM 697 CZ TYR A 43 14.399 -0.625 -5.791 1.00 0.00 C ATOM 698 OH TYR A 43 15.548 0.101 -5.691 1.00 0.00 O ATOM 0 H TYR A 43 8.506 -4.319 -4.406 1.00 0.00 H new ATOM 0 HA TYR A 43 11.296 -3.724 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.843 -3.823 -6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.921 -2.353 -6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.300 -3.862 -5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.022 -0.242 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.395 -2.531 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.115 1.097 -6.077 1.00 0.00 H new ATOM 0 HH TYR A 43 15.342 1.054 -5.786 1.00 0.00 H new ATOM 708 N CYS A 44 10.623 -1.448 -3.015 1.00 0.00 N ATOM 709 CA CYS A 44 10.202 -0.287 -2.220 1.00 0.00 C ATOM 710 C CYS A 44 11.210 0.875 -2.272 1.00 0.00 C ATOM 711 O CYS A 44 12.393 0.653 -2.532 1.00 0.00 O ATOM 712 CB CYS A 44 9.887 -0.764 -0.790 1.00 0.00 C ATOM 713 SG CYS A 44 11.259 -1.722 -0.089 1.00 0.00 S ATOM 0 H CYS A 44 11.635 -1.577 -3.031 1.00 0.00 H new ATOM 0 HA CYS A 44 9.297 0.137 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.682 0.098 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.984 -1.374 -0.800 1.00 0.00 H new ATOM 0 HG CYS A 44 11.424 -1.395 1.158 1.00 0.00 H new ATOM 719 N ASN A 45 10.726 2.104 -2.048 1.00 0.00 N ATOM 720 CA ASN A 45 11.562 3.326 -2.092 1.00 0.00 C ATOM 721 C ASN A 45 12.485 3.453 -0.841 1.00 0.00 C ATOM 722 O ASN A 45 12.733 2.474 -0.141 1.00 0.00 O ATOM 723 CB ASN A 45 10.633 4.550 -2.310 1.00 0.00 C ATOM 724 CG ASN A 45 11.335 5.815 -2.829 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.531 5.834 -3.089 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.634 6.930 -2.937 1.00 0.00 N ATOM 0 H ASN A 45 9.746 2.286 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 45 12.255 3.271 -2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.850 4.272 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.142 4.787 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.090 7.793 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.637 6.928 -2.723 1.00 0.00 H new ATOM 733 N ASP A 46 12.962 4.658 -0.508 1.00 0.00 N ATOM 734 CA ASP A 46 13.601 4.993 0.784 1.00 0.00 C ATOM 735 C ASP A 46 12.754 5.953 1.643 1.00 0.00 C ATOM 736 O ASP A 46 12.935 6.022 2.859 1.00 0.00 O ATOM 737 CB ASP A 46 14.979 5.617 0.518 1.00 0.00 C ATOM 738 CG ASP A 46 15.971 4.609 -0.084 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.521 3.778 0.679 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.224 4.668 -1.312 1.00 0.00 O ATOM 0 H ASP A 46 12.916 5.454 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 46 13.698 4.066 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.867 6.463 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.384 6.009 1.451 1.00 0.00 H new ATOM 745 N GLY A 47 11.789 6.657 1.035 1.00 0.00 N ATOM 746 CA GLY A 47 10.893 7.600 1.719 1.00 0.00 C ATOM 747 C GLY A 47 9.813 6.899 2.528 1.00 0.00 C ATOM 748 O GLY A 47 9.391 7.412 3.562 1.00 0.00 O ATOM 0 H GLY A 47 11.606 6.585 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.480 8.239 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.424 8.250 0.981 1.00 0.00 H new ATOM 752 N PHE A 48 9.341 5.736 2.061 1.00 0.00 N ATOM 753 CA PHE A 48 8.275 4.956 2.712 1.00 0.00 C ATOM 754 C PHE A 48 8.737 4.429 4.089 1.00 0.00 C ATOM 755 O PHE A 48 7.980 4.461 5.055 1.00 0.00 O ATOM 756 CB PHE A 48 7.812 3.834 1.744 1.00 0.00 C ATOM 757 CG PHE A 48 8.583 2.528 1.849 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.964 2.477 1.570 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.940 1.382 2.345 1.00 0.00 C ATOM 760 CE1 PHE A 48 10.713 1.341 1.934 1.00 0.00 C ATOM 761 CE2 PHE A 48 8.686 0.237 2.661 1.00 0.00 C ATOM 762 CZ PHE A 48 10.076 0.225 2.494 1.00 0.00 C ATOM 0 H PHE A 48 9.693 5.302 1.208 1.00 0.00 H new ATOM 0 HA PHE A 48 7.414 5.591 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.757 3.630 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.892 4.203 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.447 3.308 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.869 1.382 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.782 1.330 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.184 -0.643 3.036 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.653 -0.637 2.794 1.00 0.00 H new ATOM 772 N CYS A 49 10.019 4.054 4.197 1.00 0.00 N ATOM 773 CA CYS A 49 10.708 3.723 5.452 1.00 0.00 C ATOM 774 C CYS A 49 10.547 4.835 6.505 1.00 0.00 C ATOM 775 O CYS A 49 10.157 4.553 7.636 1.00 0.00 O ATOM 776 CB CYS A 49 12.177 3.419 5.095 1.00 0.00 C ATOM 777 SG CYS A 49 13.250 3.368 6.560 1.00 0.00 S ATOM 0 H CYS A 49 10.627 3.970 3.383 1.00 0.00 H new ATOM 0 HA CYS A 49 10.264 2.845 5.922 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.231 2.463 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.545 4.178 4.405 1.00 0.00 H new ATOM 0 HG CYS A 49 12.768 2.522 7.422 1.00 0.00 H new ATOM 783 N GLU A 50 10.762 6.095 6.120 1.00 0.00 N ATOM 784 CA GLU A 50 10.665 7.244 7.035 1.00 0.00 C ATOM 785 C GLU A 50 9.216 7.660 7.354 1.00 0.00 C ATOM 786 O GLU A 50 8.974 8.287 8.388 1.00 0.00 O ATOM 787 CB GLU A 50 11.448 8.432 6.458 1.00 0.00 C ATOM 788 CG GLU A 50 12.939 8.102 6.338 1.00 0.00 C ATOM 789 CD GLU A 50 13.761 9.357 6.010 1.00 0.00 C ATOM 790 OE1 GLU A 50 13.743 9.814 4.842 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.432 9.901 6.920 1.00 0.00 O ATOM 0 H GLU A 50 11.009 6.352 5.164 1.00 0.00 H new ATOM 0 HA GLU A 50 11.102 6.929 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.050 8.693 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.316 9.304 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.294 7.665 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.087 7.353 5.560 1.00 0.00 H new ATOM 798 N LEU A 51 8.249 7.299 6.498 1.00 0.00 N ATOM 799 CA LEU A 51 6.818 7.527 6.734 1.00 0.00 C ATOM 800 C LEU A 51 6.306 6.693 7.922 1.00 0.00 C ATOM 801 O LEU A 51 5.717 7.244 8.851 1.00 0.00 O ATOM 802 CB LEU A 51 6.048 7.227 5.428 1.00 0.00 C ATOM 803 CG LEU A 51 4.527 7.485 5.478 1.00 0.00 C ATOM 804 CD1 LEU A 51 4.190 8.969 5.677 1.00 0.00 C ATOM 805 CD2 LEU A 51 3.860 6.966 4.200 1.00 0.00 C ATOM 0 H LEU A 51 8.443 6.834 5.611 1.00 0.00 H new ATOM 0 HA LEU A 51 6.650 8.569 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.475 7.832 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.213 6.183 5.161 1.00 0.00 H new ATOM 0 HG LEU A 51 4.140 6.945 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.108 9.096 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.621 9.317 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.602 9.550 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.787 7.154 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.281 7.480 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.037 5.895 4.107 1.00 0.00 H new ATOM 817 N CYS A 52 6.530 5.373 7.892 1.00 0.00 N ATOM 818 CA CYS A 52 5.963 4.428 8.869 1.00 0.00 C ATOM 819 C CYS A 52 6.956 3.958 9.951 1.00 0.00 C ATOM 820 O CYS A 52 6.524 3.453 10.988 1.00 0.00 O ATOM 821 CB CYS A 52 5.373 3.246 8.088 1.00 0.00 C ATOM 822 SG CYS A 52 4.065 3.841 6.973 1.00 0.00 S ATOM 0 H CYS A 52 7.113 4.925 7.185 1.00 0.00 H new ATOM 0 HA CYS A 52 5.189 4.948 9.434 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.156 2.750 7.514 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.967 2.507 8.779 1.00 0.00 H new ATOM 0 HG CYS A 52 3.716 2.885 6.164 1.00 0.00 H new ATOM 828 N GLY A 53 8.266 4.125 9.742 1.00 0.00 N ATOM 829 CA GLY A 53 9.323 3.800 10.712 1.00 0.00 C ATOM 830 C GLY A 53 9.806 2.348 10.650 1.00 0.00 C ATOM 831 O GLY A 53 10.602 1.935 11.493 1.00 0.00 O ATOM 0 H GLY A 53 8.634 4.501 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.173 4.461 10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.954 4.006 11.717 1.00 0.00 H new ATOM 835 N TYR A 54 9.335 1.573 9.665 1.00 0.00 N ATOM 836 CA TYR A 54 9.816 0.221 9.355 1.00 0.00 C ATOM 837 C TYR A 54 11.038 0.249 8.404 1.00 0.00 C ATOM 838 O TYR A 54 11.756 1.244 8.349 1.00 0.00 O ATOM 839 CB TYR A 54 8.614 -0.614 8.874 1.00 0.00 C ATOM 840 CG TYR A 54 7.739 -0.107 7.733 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.209 0.785 6.747 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.410 -0.565 7.666 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.351 1.228 5.724 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.554 -0.146 6.630 1.00 0.00 C ATOM 845 CZ TYR A 54 6.017 0.765 5.660 1.00 0.00 C ATOM 846 OH TYR A 54 5.173 1.197 4.683 1.00 0.00 O ATOM 0 H TYR A 54 8.586 1.879 9.043 1.00 0.00 H new ATOM 0 HA TYR A 54 10.212 -0.272 10.243 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.996 -1.591 8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.964 -0.772 9.735 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.232 1.130 6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.042 -1.246 8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.713 1.926 4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.543 -0.523 6.579 1.00 0.00 H new ATOM 0 HH TYR A 54 4.297 0.772 4.796 1.00 0.00 H new ATOM 856 N SER A 55 11.273 -0.804 7.613 1.00 0.00 N ATOM 857 CA SER A 55 12.354 -0.863 6.610 1.00 0.00 C ATOM 858 C SER A 55 12.116 -1.988 5.590 1.00 0.00 C ATOM 859 O SER A 55 11.257 -2.855 5.801 1.00 0.00 O ATOM 860 CB SER A 55 13.718 -1.043 7.303 1.00 0.00 C ATOM 861 OG SER A 55 14.790 -0.847 6.388 1.00 0.00 O ATOM 0 H SER A 55 10.711 -1.655 7.649 1.00 0.00 H new ATOM 0 HA SER A 55 12.356 0.081 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.806 -0.335 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.781 -2.043 7.733 1.00 0.00 H new ATOM 0 HG SER A 55 15.644 -0.965 6.854 1.00 0.00 H new ATOM 867 N ARG A 56 12.910 -2.023 4.512 1.00 0.00 N ATOM 868 CA ARG A 56 12.836 -3.047 3.457 1.00 0.00 C ATOM 869 C ARG A 56 12.918 -4.460 4.047 1.00 0.00 C ATOM 870 O ARG A 56 12.061 -5.277 3.746 1.00 0.00 O ATOM 871 CB ARG A 56 13.917 -2.784 2.388 1.00 0.00 C ATOM 872 CG ARG A 56 13.881 -3.834 1.259 1.00 0.00 C ATOM 873 CD ARG A 56 14.863 -3.546 0.116 1.00 0.00 C ATOM 874 NE ARG A 56 14.456 -2.395 -0.720 1.00 0.00 N ATOM 875 CZ ARG A 56 15.219 -1.828 -1.655 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.418 -2.289 -1.950 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.798 -0.780 -2.325 1.00 0.00 N ATOM 0 H ARG A 56 13.637 -1.327 4.344 1.00 0.00 H new ATOM 0 HA ARG A 56 11.866 -2.980 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.773 -1.790 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.901 -2.790 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.105 -4.814 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.870 -3.884 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.851 -3.353 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.950 -4.432 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 56 13.525 -2.007 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.787 -3.102 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.977 -1.832 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.876 -0.389 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.393 -0.357 -3.037 1.00 0.00 H new ATOM 891 N ALA A 57 13.843 -4.733 4.968 1.00 0.00 N ATOM 892 CA ALA A 57 13.964 -6.032 5.651 1.00 0.00 C ATOM 893 C ALA A 57 12.672 -6.492 6.375 1.00 0.00 C ATOM 894 O ALA A 57 12.447 -7.695 6.515 1.00 0.00 O ATOM 895 CB ALA A 57 15.142 -5.935 6.629 1.00 0.00 C ATOM 0 H ALA A 57 14.541 -4.052 5.268 1.00 0.00 H new ATOM 0 HA ALA A 57 14.138 -6.798 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.259 -6.884 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.055 -5.710 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.950 -5.143 7.352 1.00 0.00 H new ATOM 901 N GLU A 58 11.818 -5.550 6.794 1.00 0.00 N ATOM 902 CA GLU A 58 10.542 -5.812 7.478 1.00 0.00 C ATOM 903 C GLU A 58 9.356 -5.862 6.500 1.00 0.00 C ATOM 904 O GLU A 58 8.450 -6.677 6.681 1.00 0.00 O ATOM 905 CB GLU A 58 10.266 -4.711 8.519 1.00 0.00 C ATOM 906 CG GLU A 58 11.465 -4.377 9.413 1.00 0.00 C ATOM 907 CD GLU A 58 11.945 -5.583 10.239 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.168 -6.097 11.079 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.111 -6.010 10.072 1.00 0.00 O ATOM 0 H GLU A 58 11.999 -4.555 6.663 1.00 0.00 H new ATOM 0 HA GLU A 58 10.636 -6.786 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.951 -3.806 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.433 -5.023 9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.286 -4.017 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.195 -3.565 10.087 1.00 0.00 H new ATOM 916 N VAL A 59 9.360 -4.986 5.481 1.00 0.00 N ATOM 917 CA VAL A 59 8.289 -4.855 4.468 1.00 0.00 C ATOM 918 C VAL A 59 8.477 -5.833 3.286 1.00 0.00 C ATOM 919 O VAL A 59 7.554 -6.062 2.505 1.00 0.00 O ATOM 920 CB VAL A 59 8.105 -3.372 4.036 1.00 0.00 C ATOM 921 CG1 VAL A 59 6.956 -3.201 3.024 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.777 -2.526 5.278 1.00 0.00 C ATOM 0 H VAL A 59 10.127 -4.330 5.332 1.00 0.00 H new ATOM 0 HA VAL A 59 7.349 -5.155 4.931 1.00 0.00 H new ATOM 0 HB VAL A 59 9.033 -3.049 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.865 -2.150 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.166 -3.790 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.023 -3.542 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.646 -1.484 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.858 -2.892 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.594 -2.601 5.995 1.00 0.00 H new ATOM 932 N MET A 60 9.636 -6.492 3.176 1.00 0.00 N ATOM 933 CA MET A 60 9.843 -7.615 2.244 1.00 0.00 C ATOM 934 C MET A 60 8.968 -8.821 2.622 1.00 0.00 C ATOM 935 O MET A 60 8.853 -9.174 3.796 1.00 0.00 O ATOM 936 CB MET A 60 11.330 -8.005 2.185 1.00 0.00 C ATOM 937 CG MET A 60 12.109 -7.083 1.238 1.00 0.00 C ATOM 938 SD MET A 60 11.819 -7.404 -0.526 1.00 0.00 S ATOM 939 CE MET A 60 10.973 -5.874 -0.998 1.00 0.00 C ATOM 0 H MET A 60 10.461 -6.264 3.731 1.00 0.00 H new ATOM 0 HA MET A 60 9.539 -7.288 1.250 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.762 -7.953 3.184 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.425 -9.038 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.842 -6.049 1.456 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.174 -7.187 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.462 -6.019 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.244 -5.610 -0.232 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.703 -5.070 -1.097 1.00 0.00 H new ATOM 949 N GLN A 61 8.333 -9.426 1.606 1.00 0.00 N ATOM 950 CA GLN A 61 7.399 -10.567 1.713 1.00 0.00 C ATOM 951 C GLN A 61 6.042 -10.186 2.351 1.00 0.00 C ATOM 952 O GLN A 61 5.198 -11.048 2.590 1.00 0.00 O ATOM 953 CB GLN A 61 8.115 -11.771 2.379 1.00 0.00 C ATOM 954 CG GLN A 61 7.597 -13.170 1.985 1.00 0.00 C ATOM 955 CD GLN A 61 6.468 -13.722 2.867 1.00 0.00 C ATOM 956 OE1 GLN A 61 6.523 -13.707 4.094 1.00 0.00 O ATOM 957 NE2 GLN A 61 5.421 -14.277 2.287 1.00 0.00 N ATOM 0 H GLN A 61 8.460 -9.122 0.641 1.00 0.00 H new ATOM 0 HA GLN A 61 7.117 -10.883 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.176 -11.717 2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.030 -11.666 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.245 -13.132 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.432 -13.870 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.355 -14.301 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.678 -14.682 2.856 1.00 0.00 H new ATOM 966 N ARG A 62 5.794 -8.887 2.573 1.00 0.00 N ATOM 967 CA ARG A 62 4.518 -8.357 3.082 1.00 0.00 C ATOM 968 C ARG A 62 3.558 -8.049 1.930 1.00 0.00 C ATOM 969 O ARG A 62 4.031 -7.687 0.845 1.00 0.00 O ATOM 970 CB ARG A 62 4.721 -7.066 3.895 1.00 0.00 C ATOM 971 CG ARG A 62 5.560 -7.228 5.164 1.00 0.00 C ATOM 972 CD ARG A 62 4.948 -8.133 6.234 1.00 0.00 C ATOM 973 NE ARG A 62 5.895 -8.276 7.352 1.00 0.00 N ATOM 974 CZ ARG A 62 5.688 -8.915 8.497 1.00 0.00 C ATOM 975 NH1 ARG A 62 4.551 -9.528 8.763 1.00 0.00 N ATOM 976 NH2 ARG A 62 6.639 -8.946 9.404 1.00 0.00 N ATOM 0 H ARG A 62 6.488 -8.160 2.401 1.00 0.00 H new ATOM 0 HA ARG A 62 4.097 -9.128 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.196 -6.322 3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.744 -6.671 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.536 -7.627 4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.730 -6.242 5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.009 -7.710 6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.717 -9.111 5.811 1.00 0.00 H new ATOM 0 HE ARG A 62 6.808 -7.837 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.795 -9.521 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.427 -10.009 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.529 -8.481 9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.487 -9.435 10.286 1.00 0.00 H new ATOM 990 N PRO A 63 2.233 -8.110 2.162 1.00 0.00 N ATOM 991 CA PRO A 63 1.233 -7.657 1.203 1.00 0.00 C ATOM 992 C PRO A 63 1.280 -6.126 1.102 1.00 0.00 C ATOM 993 O PRO A 63 1.348 -5.436 2.119 1.00 0.00 O ATOM 994 CB PRO A 63 -0.100 -8.170 1.756 1.00 0.00 C ATOM 995 CG PRO A 63 0.114 -8.186 3.270 1.00 0.00 C ATOM 996 CD PRO A 63 1.593 -8.533 3.408 1.00 0.00 C ATOM 0 HA PRO A 63 1.396 -8.030 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.927 -7.517 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.335 -9.164 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.117 -7.220 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.521 -8.925 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.034 -8.022 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.728 -9.602 3.571 1.00 0.00 H new ATOM 1004 N CYS A 64 1.224 -5.580 -0.118 1.00 0.00 N ATOM 1005 CA CYS A 64 1.273 -4.124 -0.353 1.00 0.00 C ATOM 1006 C CYS A 64 0.035 -3.351 0.146 1.00 0.00 C ATOM 1007 O CYS A 64 0.015 -2.118 0.086 1.00 0.00 O ATOM 1008 CB CYS A 64 1.535 -3.866 -1.838 1.00 0.00 C ATOM 1009 SG CYS A 64 0.138 -4.442 -2.850 1.00 0.00 S ATOM 0 H CYS A 64 1.143 -6.131 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 64 2.093 -3.733 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.695 -2.801 -2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.447 -4.377 -2.145 1.00 0.00 H new ATOM 0 HG CYS A 64 0.386 -4.209 -4.105 1.00 0.00 H new ATOM 1015 N THR A 65 -0.974 -4.065 0.664 1.00 0.00 N ATOM 1016 CA THR A 65 -2.091 -3.496 1.428 1.00 0.00 C ATOM 1017 C THR A 65 -1.609 -2.807 2.703 1.00 0.00 C ATOM 1018 O THR A 65 -2.239 -1.841 3.133 1.00 0.00 O ATOM 1019 CB THR A 65 -3.111 -4.576 1.798 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.435 -5.596 2.501 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.778 -5.195 0.569 1.00 0.00 C ATOM 0 H THR A 65 -1.037 -5.078 0.561 1.00 0.00 H new ATOM 0 HA THR A 65 -2.565 -2.754 0.785 1.00 0.00 H new ATOM 0 HB THR A 65 -3.892 -4.111 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.071 -6.299 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.492 -5.955 0.887 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.299 -4.419 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.019 -5.653 -0.065 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.508 -3.299 3.293 1.00 0.00 N ATOM 1030 CA CYS A 66 0.086 -2.806 4.541 1.00 0.00 C ATOM 1031 C CYS A 66 -0.943 -2.684 5.685 1.00 0.00 C ATOM 1032 O CYS A 66 -0.892 -1.754 6.490 1.00 0.00 O ATOM 1033 CB CYS A 66 0.895 -1.527 4.259 1.00 0.00 C ATOM 1034 SG CYS A 66 2.295 -1.908 3.162 1.00 0.00 S ATOM 0 H CYS A 66 0.011 -4.082 2.896 1.00 0.00 H new ATOM 0 HA CYS A 66 0.791 -3.547 4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.254 -0.776 3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.260 -1.104 5.195 1.00 0.00 H new ATOM 0 HG CYS A 66 2.971 -0.822 2.928 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.879 -3.640 5.772 1.00 0.00 N ATOM 1041 CA ASP A 67 -2.984 -3.642 6.742 1.00 0.00 C ATOM 1042 C ASP A 67 -2.488 -3.599 8.195 1.00 0.00 C ATOM 1043 O ASP A 67 -3.134 -3.003 9.056 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.848 -4.888 6.503 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.038 -4.956 7.475 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.075 -4.306 7.201 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.935 -5.666 8.504 1.00 0.00 O ATOM 0 H ASP A 67 -1.889 -4.452 5.155 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.575 -2.738 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.217 -4.883 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.235 -5.782 6.617 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.303 -4.163 8.456 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.629 -4.138 9.753 1.00 0.00 C ATOM 1054 C PHE A 68 -0.319 -2.716 10.277 1.00 0.00 C ATOM 1055 O PHE A 68 -0.040 -2.561 11.467 1.00 0.00 O ATOM 1056 CB PHE A 68 0.639 -5.003 9.661 1.00 0.00 C ATOM 1057 CG PHE A 68 1.631 -4.565 8.598 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.526 -3.511 8.861 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.646 -5.191 7.336 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.416 -3.077 7.865 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.541 -4.756 6.343 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.425 -3.695 6.604 1.00 0.00 C ATOM 0 H PHE A 68 -0.772 -4.665 7.745 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.315 -4.551 10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.139 -4.995 10.630 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.345 -6.034 9.462 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.528 -3.035 9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.969 -6.007 7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.097 -2.264 8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.549 -5.239 5.377 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.108 -3.357 5.839 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.400 -1.679 9.429 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.313 -0.267 9.833 1.00 0.00 C ATOM 1074 C LEU A 69 -1.588 0.262 10.513 1.00 0.00 C ATOM 1075 O LEU A 69 -1.591 1.410 10.958 1.00 0.00 O ATOM 1076 CB LEU A 69 0.035 0.610 8.614 1.00 0.00 C ATOM 1077 CG LEU A 69 1.399 0.318 7.962 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.558 1.221 6.733 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.562 0.564 8.938 1.00 0.00 C ATOM 0 H LEU A 69 -0.530 -1.801 8.425 1.00 0.00 H new ATOM 0 HA LEU A 69 0.479 -0.211 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.743 0.483 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.014 1.656 8.921 1.00 0.00 H new ATOM 0 HG LEU A 69 1.428 -0.733 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.520 1.026 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.756 1.015 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.510 2.266 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.507 0.347 8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.553 1.605 9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.452 -0.085 9.806 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.672 -0.514 10.605 1.00 0.00 N ATOM 1092 CA HIS A 70 -3.864 -0.085 11.333 1.00 0.00 C ATOM 1093 C HIS A 70 -3.606 0.117 12.846 1.00 0.00 C ATOM 1094 O HIS A 70 -2.908 -0.667 13.501 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.055 -1.028 11.065 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.060 -2.338 11.819 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.676 -3.566 11.332 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.545 -2.549 13.084 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -4.904 -4.489 12.281 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.438 -3.917 13.378 1.00 0.00 N ATOM 0 H HIS A 70 -2.746 -1.440 10.184 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.131 0.898 10.945 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.974 -0.493 11.304 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.083 -1.248 9.998 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.285 -3.745 10.407 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.942 -1.791 13.743 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.689 -5.543 12.179 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.215 1.171 13.402 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.378 1.413 14.840 1.00 0.00 C ATOM 1110 C GLY A 71 -5.863 1.384 15.243 1.00 0.00 C ATOM 1111 O GLY A 71 -6.701 0.947 14.448 1.00 0.00 O ATOM 0 H GLY A 71 -4.627 1.913 12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.831 0.657 15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.946 2.379 15.100 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.220 1.885 16.443 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.615 1.990 16.880 1.00 0.00 C ATOM 1117 C PRO A 72 -8.416 3.043 16.090 1.00 0.00 C ATOM 1118 O PRO A 72 -9.643 2.952 16.039 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.539 2.330 18.373 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.210 3.071 18.512 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.320 2.378 17.481 1.00 0.00 C ATOM 0 HA PRO A 72 -8.153 1.059 16.698 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.378 2.952 18.685 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.562 1.431 18.989 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.317 4.135 18.302 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.803 2.984 19.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.589 3.072 17.067 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.761 1.559 17.935 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.744 4.021 15.457 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.378 5.107 14.690 1.00 0.00 C ATOM 1131 C ARG A 73 -8.609 4.768 13.200 1.00 0.00 C ATOM 1132 O ARG A 73 -9.262 5.546 12.499 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.531 6.388 14.827 1.00 0.00 C ATOM 1134 CG ARG A 73 -7.434 6.869 16.286 1.00 0.00 C ATOM 1135 CD ARG A 73 -6.672 8.195 16.397 1.00 0.00 C ATOM 1136 NE ARG A 73 -6.605 8.648 17.801 1.00 0.00 N ATOM 1137 CZ ARG A 73 -5.689 8.328 18.711 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -4.659 7.552 18.438 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -5.802 8.795 19.935 1.00 0.00 N ATOM 0 H ARG A 73 -6.726 4.079 15.465 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.371 5.257 15.114 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.529 6.202 14.440 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.967 7.177 14.215 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.436 6.990 16.697 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.933 6.110 16.887 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.664 8.074 16.001 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.164 8.954 15.789 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.346 9.278 18.108 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.542 7.172 17.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.979 7.332 19.166 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.588 9.398 20.180 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.104 8.555 20.639 1.00 0.00 H new ATOM 1153 N THR A 74 -8.061 3.651 12.697 1.00 0.00 N ATOM 1154 CA THR A 74 -8.088 3.268 11.269 1.00 0.00 C ATOM 1155 C THR A 74 -9.501 2.903 10.820 1.00 0.00 C ATOM 1156 O THR A 74 -10.231 2.208 11.526 1.00 0.00 O ATOM 1157 CB THR A 74 -7.095 2.136 10.996 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.835 2.573 11.438 1.00 0.00 O ATOM 1159 CG2 THR A 74 -6.975 1.797 9.513 1.00 0.00 C ATOM 0 H THR A 74 -7.575 2.971 13.281 1.00 0.00 H new ATOM 0 HA THR A 74 -7.779 4.130 10.678 1.00 0.00 H new ATOM 0 HB THR A 74 -7.447 1.243 11.512 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.441 3.168 10.766 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.257 0.988 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.947 1.485 9.131 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.635 2.676 8.965 1.00 0.00 H new ATOM 1167 N GLN A 75 -9.880 3.385 9.637 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.223 3.256 9.075 1.00 0.00 C ATOM 1169 C GLN A 75 -11.359 1.891 8.380 1.00 0.00 C ATOM 1170 O GLN A 75 -10.656 1.619 7.404 1.00 0.00 O ATOM 1171 CB GLN A 75 -11.490 4.411 8.084 1.00 0.00 C ATOM 1172 CG GLN A 75 -11.393 5.829 8.683 1.00 0.00 C ATOM 1173 CD GLN A 75 -9.968 6.344 8.930 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -8.967 5.785 8.493 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -9.821 7.422 9.665 1.00 0.00 N ATOM 0 H GLN A 75 -9.241 3.892 9.025 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.963 3.314 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.780 4.333 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.486 4.281 7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.901 6.523 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.935 5.843 9.628 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.641 7.901 10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.887 7.780 9.863 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.281 1.035 8.843 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.410 -0.352 8.349 1.00 0.00 C ATOM 1186 C ARG A 76 -12.797 -0.411 6.862 1.00 0.00 C ATOM 1187 O ARG A 76 -12.247 -1.220 6.113 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.411 -1.142 9.220 1.00 0.00 C ATOM 1189 CG ARG A 76 -12.794 -1.755 10.491 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.222 -0.740 11.492 1.00 0.00 C ATOM 1191 NE ARG A 76 -11.735 -1.407 12.714 1.00 0.00 N ATOM 1192 CZ ARG A 76 -12.446 -1.734 13.790 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -13.740 -1.502 13.881 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -11.850 -2.318 14.808 1.00 0.00 N ATOM 0 H ARG A 76 -12.957 1.278 9.567 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.429 -0.821 8.432 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.227 -0.479 9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.847 -1.941 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.556 -2.350 10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.998 -2.439 10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.405 -0.188 11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.990 -0.012 11.754 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.743 -1.644 12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.234 -1.056 13.108 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.248 -1.769 14.724 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.850 -2.517 14.768 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.388 -2.572 15.637 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.666 0.501 6.398 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.007 0.646 4.968 1.00 0.00 C ATOM 1210 C ARG A 77 -12.805 1.072 4.123 1.00 0.00 C ATOM 1211 O ARG A 77 -12.636 0.553 3.026 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.173 1.636 4.779 1.00 0.00 C ATOM 1213 CG ARG A 77 -16.528 1.118 5.283 1.00 0.00 C ATOM 1214 CD ARG A 77 -17.009 -0.140 4.549 1.00 0.00 C ATOM 1215 NE ARG A 77 -18.387 -0.489 4.941 1.00 0.00 N ATOM 1216 CZ ARG A 77 -19.142 -1.448 4.414 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.708 -2.235 3.449 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -20.367 -1.629 4.856 1.00 0.00 N ATOM 0 H ARG A 77 -14.155 1.161 7.003 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.318 -0.338 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.935 2.564 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.261 1.878 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.453 0.902 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.275 1.904 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.964 0.024 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.342 -0.973 4.773 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.803 0.061 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.763 -2.119 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.317 -2.960 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.734 -1.035 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.951 -2.363 4.455 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.935 1.949 4.622 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.726 2.372 3.904 1.00 0.00 C ATOM 1234 C ALA A 78 -9.686 1.243 3.820 1.00 0.00 C ATOM 1235 O ALA A 78 -9.173 0.962 2.740 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.168 3.624 4.583 1.00 0.00 C ATOM 0 H ALA A 78 -12.046 2.389 5.536 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.982 2.612 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.269 3.951 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.914 4.418 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.923 3.397 5.620 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.450 0.524 4.924 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.595 -0.671 4.937 1.00 0.00 C ATOM 1244 C ALA A 79 -9.061 -1.727 3.911 1.00 0.00 C ATOM 1245 O ALA A 79 -8.237 -2.360 3.247 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.575 -1.225 6.367 1.00 0.00 C ATOM 0 H ALA A 79 -9.847 0.754 5.835 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.583 -0.402 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.946 -2.114 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.176 -0.470 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.589 -1.485 6.671 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.381 -1.848 3.715 1.00 0.00 N ATOM 1253 CA ALA A 80 -10.987 -2.676 2.673 1.00 0.00 C ATOM 1254 C ALA A 80 -10.786 -2.099 1.272 1.00 0.00 C ATOM 1255 O ALA A 80 -10.419 -2.846 0.374 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.480 -2.822 2.974 1.00 0.00 C ATOM 0 H ALA A 80 -11.068 -1.361 4.290 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.494 -3.648 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.948 -3.437 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.610 -3.295 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.947 -1.837 2.984 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.987 -0.792 1.060 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.801 -0.177 -0.256 1.00 0.00 C ATOM 1264 C GLN A 81 -9.369 -0.338 -0.781 1.00 0.00 C ATOM 1265 O GLN A 81 -9.218 -0.489 -1.987 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.195 1.306 -0.229 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.670 1.659 0.031 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.687 0.576 -0.334 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -13.895 0.258 -1.498 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.327 -0.044 0.638 1.00 0.00 N ATOM 0 H GLN A 81 -11.280 -0.140 1.788 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.460 -0.706 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.595 1.797 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.911 1.744 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.786 1.899 1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.912 2.562 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.157 0.218 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.992 -0.785 0.419 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.330 -0.394 0.070 1.00 0.00 N ATOM 1280 CA ILE A 82 -6.970 -0.765 -0.382 1.00 0.00 C ATOM 1281 C ILE A 82 -6.967 -2.172 -1.006 1.00 0.00 C ATOM 1282 O ILE A 82 -6.449 -2.358 -2.104 1.00 0.00 O ATOM 1283 CB ILE A 82 -5.928 -0.675 0.762 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -5.865 0.724 1.407 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.535 -1.004 0.191 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.073 0.761 2.715 1.00 0.00 C ATOM 0 H ILE A 82 -8.400 -0.190 1.067 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.678 -0.042 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.232 -1.384 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.415 1.421 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.880 1.073 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.792 -0.944 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.541 -2.012 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.285 -0.289 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.072 1.777 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.535 0.090 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.047 0.443 2.528 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.559 -3.159 -0.325 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.610 -4.550 -0.783 1.00 0.00 C ATOM 1300 C ALA A 83 -8.539 -4.746 -1.998 1.00 0.00 C ATOM 1301 O ALA A 83 -8.220 -5.515 -2.906 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.030 -5.426 0.406 1.00 0.00 C ATOM 0 H ALA A 83 -8.022 -3.011 0.572 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.621 -4.846 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.076 -6.469 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.302 -5.321 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.011 -5.111 0.762 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.668 -4.031 -2.042 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.608 -4.044 -3.168 1.00 0.00 C ATOM 1310 C GLN A 84 -10.025 -3.330 -4.397 1.00 0.00 C ATOM 1311 O GLN A 84 -10.310 -3.745 -5.519 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.943 -3.391 -2.765 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.743 -4.143 -1.684 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.203 -5.533 -2.131 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -14.086 -5.689 -2.966 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.620 -6.595 -1.609 1.00 0.00 N ATOM 0 H GLN A 84 -9.959 -3.416 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.786 -5.086 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.742 -2.381 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.566 -3.296 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.129 -4.241 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.615 -3.550 -1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.883 -6.482 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.906 -7.529 -1.902 1.00 0.00 H new ATOM 1325 N ALA A 85 -9.176 -2.305 -4.224 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.546 -1.604 -5.345 1.00 0.00 C ATOM 1327 C ALA A 85 -7.690 -2.541 -6.227 1.00 0.00 C ATOM 1328 O ALA A 85 -7.614 -2.352 -7.441 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.699 -0.450 -4.818 1.00 0.00 C ATOM 0 H ALA A 85 -8.911 -1.943 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.344 -1.218 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.231 0.070 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.333 0.245 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.926 -0.839 -4.155 1.00 0.00 H new ATOM 1335 N LEU A 86 -7.086 -3.576 -5.621 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.276 -4.604 -6.295 1.00 0.00 C ATOM 1337 C LEU A 86 -7.107 -5.524 -7.214 1.00 0.00 C ATOM 1338 O LEU A 86 -6.542 -6.224 -8.054 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.538 -5.454 -5.238 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.685 -4.677 -4.214 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.132 -5.645 -3.161 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.529 -3.909 -4.866 1.00 0.00 C ATOM 0 H LEU A 86 -7.150 -3.725 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.564 -4.081 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.277 -6.041 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.891 -6.160 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.338 -3.940 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.530 -5.093 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.959 -6.133 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.513 -6.398 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.964 -3.381 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.873 -4.609 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.928 -3.190 -5.581 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.440 -5.532 -7.077 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.354 -6.274 -7.959 1.00 0.00 C ATOM 1356 C LEU A 87 -9.686 -5.498 -9.250 1.00 0.00 C ATOM 1357 O LEU A 87 -10.187 -6.092 -10.207 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.641 -6.631 -7.187 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.433 -7.371 -5.846 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.797 -7.630 -5.193 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -9.683 -8.700 -6.022 1.00 0.00 C ATOM 0 H LEU A 87 -8.921 -5.016 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.849 -7.189 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.193 -5.712 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.268 -7.249 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.819 -6.735 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.654 -8.152 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.300 -6.680 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.408 -8.242 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.562 -9.181 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.252 -9.354 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.702 -8.509 -6.457 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.409 -4.187 -9.287 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.644 -3.301 -10.433 1.00 0.00 C ATOM 1375 C GLY A 88 -8.421 -3.161 -11.346 1.00 0.00 C ATOM 1376 O GLY A 88 -7.277 -3.271 -10.903 1.00 0.00 O ATOM 0 H GLY A 88 -9.000 -3.698 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.482 -3.684 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.933 -2.315 -10.069 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.673 -2.869 -12.626 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.649 -2.639 -13.657 1.00 0.00 C ATOM 1382 C ALA A 89 -7.337 -1.142 -13.903 1.00 0.00 C ATOM 1383 O ALA A 89 -6.583 -0.815 -14.821 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.113 -3.353 -14.934 1.00 0.00 C ATOM 0 H ALA A 89 -9.623 -2.783 -12.987 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.700 -3.050 -13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.376 -3.204 -15.723 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.221 -4.419 -14.736 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.072 -2.944 -15.252 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.917 -0.240 -13.102 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.758 1.220 -13.192 1.00 0.00 C ATOM 1392 C GLU A 90 -7.200 1.808 -11.879 1.00 0.00 C ATOM 1393 O GLU A 90 -7.277 1.189 -10.814 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.114 1.865 -13.561 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.054 2.728 -14.830 1.00 0.00 C ATOM 1396 CD GLU A 90 -8.322 4.060 -14.604 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -7.069 4.065 -14.554 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -8.995 5.110 -14.471 1.00 0.00 O ATOM 0 H GLU A 90 -8.536 -0.517 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.034 1.446 -13.975 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.856 1.079 -13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.454 2.480 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.551 2.171 -15.621 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.068 2.929 -15.177 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.629 3.010 -11.965 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.044 3.762 -10.851 1.00 0.00 C ATOM 1407 C GLU A 91 -7.083 4.093 -9.761 1.00 0.00 C ATOM 1408 O GLU A 91 -8.239 4.415 -10.062 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.399 5.033 -11.430 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.585 5.846 -10.421 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.043 7.123 -11.084 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.037 7.050 -11.831 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.639 8.211 -10.892 1.00 0.00 O ATOM 0 H GLU A 91 -6.558 3.509 -12.852 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.289 3.152 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.750 4.751 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.183 5.668 -11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.208 6.108 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.758 5.246 -10.041 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.662 4.012 -8.489 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.556 4.045 -7.322 1.00 0.00 C ATOM 1422 C ARG A 92 -6.868 4.670 -6.105 1.00 0.00 C ATOM 1423 O ARG A 92 -5.872 4.138 -5.613 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.005 2.597 -7.023 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.411 2.444 -6.412 1.00 0.00 C ATOM 1426 CD ARG A 92 -9.587 3.052 -5.015 1.00 0.00 C ATOM 1427 NE ARG A 92 -10.795 2.507 -4.360 1.00 0.00 N ATOM 1428 CZ ARG A 92 -11.976 3.105 -4.212 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -12.185 4.356 -4.568 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -12.987 2.440 -3.695 1.00 0.00 N ATOM 0 H ARG A 92 -5.677 3.920 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.423 4.668 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.969 2.026 -7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.283 2.146 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.134 2.905 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.654 1.383 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.709 2.838 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.666 4.136 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.715 1.565 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.427 4.904 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.105 4.776 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.865 1.469 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.892 2.896 -3.581 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.446 5.747 -5.562 1.00 0.00 N ATOM 1445 CA LYS A 93 -7.019 6.388 -4.311 1.00 0.00 C ATOM 1446 C LYS A 93 -7.995 6.100 -3.147 1.00 0.00 C ATOM 1447 O LYS A 93 -9.210 6.165 -3.319 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.854 7.906 -4.523 1.00 0.00 C ATOM 1449 CG LYS A 93 -5.993 8.248 -5.752 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.494 9.698 -5.774 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.651 10.701 -5.635 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.204 12.108 -5.841 1.00 0.00 N ATOM 0 H LYS A 93 -8.246 6.211 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.056 5.960 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.838 8.361 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.401 8.345 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.134 7.578 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.574 8.060 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.782 9.850 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.961 9.885 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.429 10.459 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.096 10.604 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.016 12.749 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.481 12.350 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.803 12.209 -6.795 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.451 5.808 -1.965 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.144 5.670 -0.674 1.00 0.00 C ATOM 1468 C VAL A 94 -7.402 6.466 0.413 1.00 0.00 C ATOM 1469 O VAL A 94 -6.176 6.418 0.483 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.296 4.173 -0.320 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -6.979 3.418 -0.202 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -9.108 3.997 0.966 1.00 0.00 C ATOM 0 H VAL A 94 -6.447 5.650 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.148 6.089 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.827 3.734 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.178 2.376 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.445 3.467 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.370 3.869 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.202 2.935 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.601 4.502 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.100 4.428 0.832 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.143 7.202 1.246 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.629 7.975 2.386 1.00 0.00 C ATOM 1484 C GLU A 95 -7.895 7.220 3.703 1.00 0.00 C ATOM 1485 O GLU A 95 -8.996 6.710 3.916 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.296 9.359 2.373 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.718 10.318 3.417 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.434 11.676 3.359 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.221 12.443 2.391 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.227 11.985 4.281 1.00 0.00 O ATOM 0 H GLU A 95 -9.155 7.280 1.143 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.550 8.105 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.183 9.800 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.365 9.241 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.824 9.887 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.651 10.456 3.241 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.892 7.124 4.585 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.860 6.161 5.704 1.00 0.00 C ATOM 1499 C ILE A 96 -5.876 6.591 6.802 1.00 0.00 C ATOM 1500 O ILE A 96 -4.824 7.148 6.505 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.525 4.751 5.149 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.607 3.683 6.262 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.174 4.718 4.408 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.487 2.244 5.756 1.00 0.00 C ATOM 0 H ILE A 96 -6.065 7.720 4.545 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.842 6.133 6.175 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.283 4.507 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.816 3.869 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.555 3.794 6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.986 3.710 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.203 5.412 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.377 5.009 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.554 1.555 6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.294 2.037 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.527 2.113 5.256 1.00 0.00 H new ATOM 1516 N ALA A 97 -6.181 6.335 8.078 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.242 6.581 9.178 1.00 0.00 C ATOM 1518 C ALA A 97 -4.233 5.428 9.340 1.00 0.00 C ATOM 1519 O ALA A 97 -4.626 4.286 9.587 1.00 0.00 O ATOM 1520 CB ALA A 97 -6.021 6.872 10.468 1.00 0.00 C ATOM 0 H ALA A 97 -7.079 5.954 8.377 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.645 7.461 8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.320 7.054 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.647 7.752 10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.649 6.016 10.714 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.938 5.743 9.238 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.807 4.848 9.500 1.00 0.00 C ATOM 1528 C PHE A 98 -1.161 5.144 10.864 1.00 0.00 C ATOM 1529 O PHE A 98 -1.132 6.286 11.325 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.751 5.014 8.388 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.996 4.353 7.037 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.111 3.523 6.785 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.030 4.529 6.026 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.235 2.861 5.550 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.159 3.875 4.789 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.257 3.031 4.555 1.00 0.00 C ATOM 0 H PHE A 98 -2.635 6.675 8.956 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.181 3.824 9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.621 6.082 8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.196 4.636 8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.870 3.396 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.818 5.173 6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.084 2.220 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.585 4.021 4.020 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.350 2.513 3.612 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.599 4.103 11.481 1.00 0.00 N ATOM 1547 CA TYR A 99 0.164 4.144 12.734 1.00 0.00 C ATOM 1548 C TYR A 99 1.678 3.965 12.477 1.00 0.00 C ATOM 1549 O TYR A 99 2.085 3.103 11.693 1.00 0.00 O ATOM 1550 CB TYR A 99 -0.384 3.037 13.647 1.00 0.00 C ATOM 1551 CG TYR A 99 0.097 3.087 15.084 1.00 0.00 C ATOM 1552 CD1 TYR A 99 -0.623 3.832 16.038 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.234 2.354 15.479 1.00 0.00 C ATOM 1554 CE1 TYR A 99 -0.220 3.838 17.386 1.00 0.00 C ATOM 1555 CE2 TYR A 99 1.645 2.357 16.825 1.00 0.00 C ATOM 1556 CZ TYR A 99 0.913 3.092 17.786 1.00 0.00 C ATOM 1557 OH TYR A 99 1.293 3.063 19.096 1.00 0.00 O ATOM 0 H TYR A 99 -0.666 3.158 11.102 1.00 0.00 H new ATOM 0 HA TYR A 99 0.049 5.116 13.213 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.473 3.091 13.643 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.111 2.071 13.223 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.489 4.401 15.733 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.791 1.789 14.747 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.775 4.411 18.114 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.519 1.798 17.124 1.00 0.00 H new ATOM 0 HH TYR A 99 2.091 2.502 19.193 1.00 0.00 H new ATOM 1567 N ARG A 100 2.512 4.776 13.140 1.00 0.00 N ATOM 1568 CA ARG A 100 3.976 4.824 12.993 1.00 0.00 C ATOM 1569 C ARG A 100 4.677 4.051 14.124 1.00 0.00 C ATOM 1570 O ARG A 100 4.205 4.044 15.258 1.00 0.00 O ATOM 1571 CB ARG A 100 4.395 6.309 12.953 1.00 0.00 C ATOM 1572 CG ARG A 100 5.879 6.529 12.613 1.00 0.00 C ATOM 1573 CD ARG A 100 6.215 7.954 12.151 1.00 0.00 C ATOM 1574 NE ARG A 100 5.994 8.981 13.187 1.00 0.00 N ATOM 1575 CZ ARG A 100 6.202 10.285 13.034 1.00 0.00 C ATOM 1576 NH1 ARG A 100 6.635 10.803 11.902 1.00 0.00 N ATOM 1577 NH2 ARG A 100 5.967 11.094 14.042 1.00 0.00 N ATOM 0 H ARG A 100 2.170 5.449 13.826 1.00 0.00 H new ATOM 0 HA ARG A 100 4.282 4.335 12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.783 6.829 12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.183 6.762 13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.480 6.293 13.491 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.169 5.828 11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.258 7.988 11.835 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.609 8.196 11.277 1.00 0.00 H new ATOM 0 HE ARG A 100 5.654 8.664 14.095 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.823 10.197 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.782 11.809 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.629 10.719 14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.122 12.097 13.938 1.00 0.00 H new ATOM 1591 N LYS A 101 5.849 3.460 13.853 1.00 0.00 N ATOM 1592 CA LYS A 101 6.661 2.725 14.853 1.00 0.00 C ATOM 1593 C LYS A 101 7.094 3.578 16.070 1.00 0.00 C ATOM 1594 O LYS A 101 7.358 3.034 17.144 1.00 0.00 O ATOM 1595 CB LYS A 101 7.895 2.099 14.162 1.00 0.00 C ATOM 1596 CG LYS A 101 7.719 0.628 13.760 1.00 0.00 C ATOM 1597 CD LYS A 101 6.801 0.437 12.544 1.00 0.00 C ATOM 1598 CE LYS A 101 6.624 -1.044 12.172 1.00 0.00 C ATOM 1599 NZ LYS A 101 5.840 -1.814 13.181 1.00 0.00 N ATOM 0 H LYS A 101 6.271 3.475 12.925 1.00 0.00 H new ATOM 0 HA LYS A 101 6.017 1.945 15.260 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.131 2.681 13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.751 2.180 14.832 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.697 0.199 13.540 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.311 0.074 14.605 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.826 0.875 12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.214 0.976 11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.125 -1.112 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.606 -1.503 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.741 -2.800 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.334 -1.791 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.897 -1.388 13.287 1.00 0.00 H new ATOM 1613 N ASP A 102 7.122 4.907 15.927 1.00 0.00 N ATOM 1614 CA ASP A 102 7.388 5.875 17.007 1.00 0.00 C ATOM 1615 C ASP A 102 6.211 6.040 18.000 1.00 0.00 C ATOM 1616 O ASP A 102 6.348 6.734 19.009 1.00 0.00 O ATOM 1617 CB ASP A 102 7.747 7.230 16.374 1.00 0.00 C ATOM 1618 CG ASP A 102 9.080 7.180 15.610 1.00 0.00 C ATOM 1619 OD1 ASP A 102 10.148 7.294 16.261 1.00 0.00 O ATOM 1620 OD2 ASP A 102 9.055 7.033 14.365 1.00 0.00 O ATOM 0 H ASP A 102 6.955 5.358 15.028 1.00 0.00 H new ATOM 0 HA ASP A 102 8.218 5.486 17.597 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.951 7.533 15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.806 7.989 17.154 1.00 0.00 H new ATOM 1625 N GLY A 103 5.055 5.420 17.719 1.00 0.00 N ATOM 1626 CA GLY A 103 3.813 5.514 18.500 1.00 0.00 C ATOM 1627 C GLY A 103 2.823 6.558 17.968 1.00 0.00 C ATOM 1628 O GLY A 103 1.739 6.721 18.527 1.00 0.00 O ATOM 0 H GLY A 103 4.956 4.813 16.905 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.327 4.538 18.510 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.062 5.757 19.533 1.00 0.00 H new ATOM 1632 N SER A 104 3.191 7.276 16.907 1.00 0.00 N ATOM 1633 CA SER A 104 2.392 8.339 16.280 1.00 0.00 C ATOM 1634 C SER A 104 1.296 7.790 15.342 1.00 0.00 C ATOM 1635 O SER A 104 1.324 6.623 14.945 1.00 0.00 O ATOM 1636 CB SER A 104 3.309 9.282 15.471 1.00 0.00 C ATOM 1637 OG SER A 104 4.673 9.250 15.896 1.00 0.00 O ATOM 0 H SER A 104 4.086 7.131 16.440 1.00 0.00 H new ATOM 0 HA SER A 104 1.901 8.877 17.091 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.258 9.010 14.417 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.934 10.302 15.555 1.00 0.00 H new ATOM 0 HG SER A 104 4.815 9.925 16.592 1.00 0.00 H new ATOM 1643 N CYS A 105 0.377 8.654 14.890 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.578 8.343 13.820 1.00 0.00 C ATOM 1645 C CYS A 105 -0.933 9.577 12.972 1.00 0.00 C ATOM 1646 O CYS A 105 -0.788 10.721 13.414 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.814 7.639 14.413 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.680 8.702 15.610 1.00 0.00 S ATOM 0 H CYS A 105 0.275 9.598 15.262 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.104 7.652 13.122 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.497 7.363 13.609 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.507 6.714 14.902 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.393 9.947 15.372 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.405 9.336 11.748 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.701 10.367 10.747 1.00 0.00 C ATOM 1656 C PHE A 106 -2.603 9.826 9.632 1.00 0.00 C ATOM 1657 O PHE A 106 -2.612 8.628 9.355 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.386 10.930 10.170 1.00 0.00 C ATOM 1659 CG PHE A 106 0.561 9.888 9.594 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.355 9.364 8.301 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.647 9.430 10.364 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.207 8.365 7.798 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.504 8.440 9.854 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.274 7.894 8.581 1.00 0.00 C ATOM 0 H PHE A 106 -1.598 8.392 11.414 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.245 11.174 11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.629 11.650 9.389 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.134 11.476 10.957 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.460 9.731 7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.822 9.840 11.348 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.041 7.960 6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.342 8.098 10.443 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.917 7.112 8.204 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.332 10.719 8.957 1.00 0.00 N ATOM 1675 CA LEU A 107 -4.041 10.398 7.715 1.00 0.00 C ATOM 1676 C LEU A 107 -3.053 10.310 6.552 1.00 0.00 C ATOM 1677 O LEU A 107 -2.359 11.274 6.232 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.105 11.468 7.411 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.543 11.210 7.906 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -7.095 9.851 7.459 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.644 11.332 9.428 1.00 0.00 C ATOM 0 H LEU A 107 -3.447 11.687 9.257 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.535 9.434 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.766 12.410 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.142 11.607 6.330 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.156 11.984 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.110 9.728 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.106 9.803 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.462 9.055 7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.671 11.144 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.983 10.603 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.350 12.336 9.733 1.00 0.00 H new ATOM 1693 N CYS A 108 -3.054 9.174 5.870 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.310 8.890 4.652 1.00 0.00 C ATOM 1695 C CYS A 108 -3.286 8.738 3.466 1.00 0.00 C ATOM 1696 O CYS A 108 -4.396 8.220 3.618 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.534 7.588 4.905 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.271 7.381 3.623 1.00 0.00 S ATOM 0 H CYS A 108 -3.611 8.375 6.172 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.623 9.698 4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.067 7.615 5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.216 6.738 4.899 1.00 0.00 H new ATOM 0 HG CYS A 108 0.150 6.151 3.624 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.870 9.146 2.270 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.475 8.783 0.993 1.00 0.00 C ATOM 1706 C LEU A 109 -2.689 7.605 0.412 1.00 0.00 C ATOM 1707 O LEU A 109 -1.477 7.717 0.239 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.421 10.010 0.054 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.315 9.908 -1.202 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -5.810 9.891 -0.847 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.029 11.116 -2.104 1.00 0.00 C ATOM 0 H LEU A 109 -2.067 9.766 2.160 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.517 8.488 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.713 10.895 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.389 10.161 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.084 8.971 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.400 9.818 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.023 9.034 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.069 10.809 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.652 11.060 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.253 12.035 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.978 11.112 -2.395 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.373 6.507 0.095 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.825 5.378 -0.672 1.00 0.00 C ATOM 1725 C VAL A 110 -3.415 5.433 -2.080 1.00 0.00 C ATOM 1726 O VAL A 110 -4.635 5.378 -2.224 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.141 4.014 -0.019 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.492 2.879 -0.799 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.713 3.958 1.457 1.00 0.00 C ATOM 0 H VAL A 110 -4.346 6.370 0.368 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.739 5.467 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.224 3.894 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.728 1.928 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.872 2.876 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.411 3.019 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.957 2.979 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.638 4.126 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.240 4.730 2.018 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.574 5.530 -3.109 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.946 5.469 -4.518 1.00 0.00 C ATOM 1741 C ASP A 111 -2.323 4.220 -5.147 1.00 0.00 C ATOM 1742 O ASP A 111 -1.099 4.127 -5.213 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.449 6.751 -5.206 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.645 6.751 -6.734 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.574 6.072 -7.229 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.879 7.468 -7.419 1.00 0.00 O ATOM 0 H ASP A 111 -1.571 5.659 -2.975 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.028 5.403 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.974 7.607 -4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.390 6.884 -4.985 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.145 3.272 -5.609 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.661 2.150 -6.432 1.00 0.00 C ATOM 1753 C VAL A 112 -2.710 2.529 -7.904 1.00 0.00 C ATOM 1754 O VAL A 112 -3.761 2.890 -8.432 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.361 0.800 -6.180 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -4.871 0.845 -6.103 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -2.962 -0.289 -7.188 1.00 0.00 C ATOM 0 H VAL A 112 -4.149 3.256 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.630 1.979 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 112 -2.993 0.545 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.256 -0.159 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.174 1.502 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.272 1.225 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.490 -1.213 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.225 0.034 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.887 -0.461 -7.131 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.559 2.380 -8.553 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.370 2.571 -9.990 1.00 0.00 C ATOM 1769 C VAL A 113 -1.135 1.180 -10.597 1.00 0.00 C ATOM 1770 O VAL A 113 -0.083 0.590 -10.331 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.186 3.531 -10.251 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.114 3.660 -11.754 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.454 4.929 -9.673 1.00 0.00 C ATOM 0 H VAL A 113 -0.698 2.113 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.243 3.031 -10.453 1.00 0.00 H new ATOM 0 HB VAL A 113 0.679 3.098 -9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.951 4.342 -11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.368 2.681 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.765 4.049 -12.268 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.399 5.576 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.346 5.349 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.605 4.855 -8.596 1.00 0.00 H new ATOM 1783 N PRO A 114 -2.094 0.616 -11.357 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.922 -0.674 -12.010 1.00 0.00 C ATOM 1785 C PRO A 114 -0.979 -0.519 -13.204 1.00 0.00 C ATOM 1786 O PRO A 114 -1.195 0.323 -14.075 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.324 -1.125 -12.425 1.00 0.00 C ATOM 1788 CG PRO A 114 -4.082 0.186 -12.613 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.437 1.130 -11.599 1.00 0.00 C ATOM 0 HA PRO A 114 -1.471 -1.422 -11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.301 -1.710 -13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.787 -1.750 -11.661 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.982 0.563 -13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.148 0.062 -12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.400 2.149 -11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.014 1.161 -10.675 1.00 0.00 H new ATOM 1797 N VAL A 115 0.070 -1.342 -13.234 1.00 0.00 N ATOM 1798 CA VAL A 115 1.052 -1.386 -14.330 1.00 0.00 C ATOM 1799 C VAL A 115 0.662 -2.511 -15.283 1.00 0.00 C ATOM 1800 O VAL A 115 0.565 -3.669 -14.868 1.00 0.00 O ATOM 1801 CB VAL A 115 2.492 -1.602 -13.811 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.522 -1.592 -14.953 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.883 -0.536 -12.777 1.00 0.00 C ATOM 0 H VAL A 115 0.269 -2.009 -12.488 1.00 0.00 H new ATOM 0 HA VAL A 115 1.042 -0.426 -14.846 1.00 0.00 H new ATOM 0 HB VAL A 115 2.500 -2.584 -13.338 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.520 -1.747 -14.544 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.291 -2.390 -15.658 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.486 -0.632 -15.467 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.901 -0.718 -12.434 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.826 0.452 -13.234 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.200 -0.584 -11.929 1.00 0.00 H new ATOM 1813 N LYS A 116 0.465 -2.181 -16.563 1.00 0.00 N ATOM 1814 CA LYS A 116 0.201 -3.170 -17.612 1.00 0.00 C ATOM 1815 C LYS A 116 1.483 -3.603 -18.340 1.00 0.00 C ATOM 1816 O LYS A 116 2.436 -2.831 -18.485 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.858 -2.675 -18.613 1.00 0.00 C ATOM 1818 CG LYS A 116 -2.137 -2.162 -17.935 1.00 0.00 C ATOM 1819 CD LYS A 116 -3.364 -2.241 -18.857 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.051 -3.612 -18.745 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.348 -3.625 -19.484 1.00 0.00 N ATOM 0 H LYS A 116 0.484 -1.219 -16.901 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.201 -4.050 -17.109 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.430 -1.877 -19.219 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.115 -3.488 -19.292 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.326 -2.745 -17.034 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.989 -1.129 -17.621 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.071 -1.454 -18.595 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.060 -2.066 -19.889 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.394 -4.385 -19.144 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.224 -3.851 -17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.129 -3.769 -18.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.477 -2.718 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.343 -4.398 -20.180 1.00 0.00 H new ATOM 1835 N ASN A 117 1.486 -4.847 -18.816 1.00 0.00 N ATOM 1836 CA ASN A 117 2.554 -5.422 -19.635 1.00 0.00 C ATOM 1837 C ASN A 117 2.449 -4.971 -21.108 1.00 0.00 C ATOM 1838 O ASN A 117 1.594 -4.166 -21.487 1.00 0.00 O ATOM 1839 CB ASN A 117 2.525 -6.960 -19.460 1.00 0.00 C ATOM 1840 CG ASN A 117 1.225 -7.602 -19.933 1.00 0.00 C ATOM 1841 OD1 ASN A 117 0.465 -7.015 -20.682 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.899 -8.803 -19.518 1.00 0.00 N ATOM 0 H ASN A 117 0.724 -5.502 -18.638 1.00 0.00 H new ATOM 0 HA ASN A 117 3.524 -5.055 -19.301 1.00 0.00 H new ATOM 0 HB2 ASN A 117 3.358 -7.396 -20.011 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.678 -7.201 -18.408 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.023 -9.228 -19.823 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.521 -9.312 -18.890 1.00 0.00 H new ATOM 1849 N GLU A 118 3.304 -5.553 -21.949 1.00 0.00 N ATOM 1850 CA GLU A 118 3.315 -5.351 -23.407 1.00 0.00 C ATOM 1851 C GLU A 118 2.078 -5.918 -24.146 1.00 0.00 C ATOM 1852 O GLU A 118 1.840 -5.551 -25.300 1.00 0.00 O ATOM 1853 CB GLU A 118 4.612 -5.939 -23.990 1.00 0.00 C ATOM 1854 CG GLU A 118 4.793 -7.435 -23.696 1.00 0.00 C ATOM 1855 CD GLU A 118 6.021 -7.994 -24.428 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.142 -7.939 -23.870 1.00 0.00 O ATOM 1857 OE2 GLU A 118 5.878 -8.499 -25.568 1.00 0.00 O ATOM 0 H GLU A 118 4.029 -6.196 -21.631 1.00 0.00 H new ATOM 0 HA GLU A 118 3.271 -4.274 -23.570 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.618 -5.786 -25.069 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.464 -5.392 -23.586 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.904 -7.588 -22.622 1.00 0.00 H new ATOM 0 HG3 GLU A 118 3.901 -7.981 -24.005 1.00 0.00 H new ATOM 1864 N ASP A 119 1.281 -6.791 -23.514 1.00 0.00 N ATOM 1865 CA ASP A 119 0.076 -7.410 -24.101 1.00 0.00 C ATOM 1866 C ASP A 119 -1.232 -6.680 -23.718 1.00 0.00 C ATOM 1867 O ASP A 119 -2.262 -6.851 -24.374 1.00 0.00 O ATOM 1868 CB ASP A 119 0.030 -8.879 -23.647 1.00 0.00 C ATOM 1869 CG ASP A 119 -1.090 -9.679 -24.335 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -1.011 -9.886 -25.570 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -2.029 -10.128 -23.634 1.00 0.00 O ATOM 0 H ASP A 119 1.458 -7.096 -22.557 1.00 0.00 H new ATOM 0 HA ASP A 119 0.145 -7.337 -25.186 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.990 -9.350 -23.858 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -0.113 -8.917 -22.567 1.00 0.00 H new ATOM 1876 N GLY A 120 -1.191 -5.862 -22.659 1.00 0.00 N ATOM 1877 CA GLY A 120 -2.339 -5.176 -22.057 1.00 0.00 C ATOM 1878 C GLY A 120 -3.085 -6.024 -21.020 1.00 0.00 C ATOM 1879 O GLY A 120 -4.313 -5.975 -20.969 1.00 0.00 O ATOM 0 H GLY A 120 -0.317 -5.651 -22.177 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.995 -4.257 -21.583 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -3.034 -4.887 -22.846 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.359 -6.733 -20.149 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.850 -7.264 -18.866 1.00 0.00 C ATOM 1885 C ALA A 121 -2.089 -6.611 -17.695 1.00 0.00 C ATOM 1886 O ALA A 121 -0.958 -6.164 -17.877 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.694 -8.793 -18.857 1.00 0.00 C ATOM 0 H ALA A 121 -1.380 -6.962 -20.321 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.906 -7.024 -18.746 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.056 -9.190 -17.909 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.272 -9.223 -19.675 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.643 -9.052 -18.981 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.690 -6.542 -16.502 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.045 -5.977 -15.294 1.00 0.00 C ATOM 1895 C VAL A 122 -1.122 -7.035 -14.678 1.00 0.00 C ATOM 1896 O VAL A 122 -1.568 -8.145 -14.390 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.066 -5.473 -14.240 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -2.366 -4.837 -13.025 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -4.023 -4.428 -14.836 1.00 0.00 C ATOM 0 H VAL A 122 -3.640 -6.875 -16.338 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.471 -5.104 -15.605 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.627 -6.352 -13.922 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.115 -4.497 -12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.720 -5.575 -12.550 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.766 -3.988 -13.354 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.724 -4.098 -14.069 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.450 -3.574 -15.196 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.575 -4.871 -15.665 1.00 0.00 H new ATOM 1909 N ILE A 123 0.156 -6.690 -14.468 1.00 0.00 N ATOM 1910 CA ILE A 123 1.170 -7.627 -13.919 1.00 0.00 C ATOM 1911 C ILE A 123 1.857 -7.134 -12.640 1.00 0.00 C ATOM 1912 O ILE A 123 2.240 -7.949 -11.803 1.00 0.00 O ATOM 1913 CB ILE A 123 2.193 -8.068 -14.994 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.311 -7.054 -15.339 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.480 -8.578 -16.260 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.893 -5.659 -15.809 1.00 0.00 C ATOM 0 H ILE A 123 0.524 -5.760 -14.670 1.00 0.00 H new ATOM 0 HA ILE A 123 0.606 -8.509 -13.615 1.00 0.00 H new ATOM 0 HB ILE A 123 2.734 -8.888 -14.522 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.939 -6.935 -14.456 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.935 -7.496 -16.116 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.222 -8.881 -16.998 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.852 -9.432 -16.005 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.860 -7.783 -16.674 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.782 -5.062 -16.013 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.297 -5.745 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.301 -5.175 -15.032 1.00 0.00 H new ATOM 1928 N MET A 124 1.945 -5.818 -12.439 1.00 0.00 N ATOM 1929 CA MET A 124 2.392 -5.187 -11.184 1.00 0.00 C ATOM 1930 C MET A 124 1.442 -4.075 -10.719 1.00 0.00 C ATOM 1931 O MET A 124 0.792 -3.409 -11.525 1.00 0.00 O ATOM 1932 CB MET A 124 3.815 -4.630 -11.355 1.00 0.00 C ATOM 1933 CG MET A 124 4.871 -5.740 -11.419 1.00 0.00 C ATOM 1934 SD MET A 124 6.524 -5.157 -11.877 1.00 0.00 S ATOM 1935 CE MET A 124 6.264 -4.878 -13.649 1.00 0.00 C ATOM 0 H MET A 124 1.702 -5.139 -13.160 1.00 0.00 H new ATOM 0 HA MET A 124 2.388 -5.957 -10.413 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.862 -4.034 -12.266 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.043 -3.962 -10.525 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.926 -6.232 -10.448 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.550 -6.492 -12.139 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.898 -5.556 -14.221 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.219 -5.062 -13.897 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.519 -3.848 -13.896 1.00 0.00 H new ATOM 1945 N PHE A 125 1.418 -3.835 -9.410 1.00 0.00 N ATOM 1946 CA PHE A 125 0.818 -2.659 -8.776 1.00 0.00 C ATOM 1947 C PHE A 125 1.926 -1.792 -8.184 1.00 0.00 C ATOM 1948 O PHE A 125 2.832 -2.302 -7.530 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.144 -3.118 -7.670 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.366 -3.857 -8.176 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.305 -3.181 -8.977 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.574 -5.208 -7.840 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.442 -3.858 -9.452 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.714 -5.881 -8.312 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.637 -5.210 -9.132 1.00 0.00 C ATOM 0 H PHE A 125 1.831 -4.478 -8.734 1.00 0.00 H new ATOM 0 HA PHE A 125 0.263 -2.077 -9.512 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.397 -3.764 -6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.470 -2.246 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.152 -2.142 -9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.858 -5.727 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.165 -3.338 -10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.881 -6.914 -8.044 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.498 -5.736 -9.517 1.00 0.00 H new ATOM 1965 N ILE A 126 1.830 -0.476 -8.364 1.00 0.00 N ATOM 1966 CA ILE A 126 2.597 0.498 -7.572 1.00 0.00 C ATOM 1967 C ILE A 126 1.615 1.110 -6.573 1.00 0.00 C ATOM 1968 O ILE A 126 0.628 1.703 -7.007 1.00 0.00 O ATOM 1969 CB ILE A 126 3.253 1.582 -8.460 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.094 0.975 -9.606 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.128 2.501 -7.582 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.481 1.998 -10.680 1.00 0.00 C ATOM 0 H ILE A 126 1.220 -0.050 -9.061 1.00 0.00 H new ATOM 0 HA ILE A 126 3.424 0.007 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 126 2.455 2.160 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.000 0.535 -9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.532 0.165 -10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.592 3.266 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.507 2.978 -6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.904 1.909 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.070 1.507 -11.455 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.579 2.420 -11.123 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.070 2.796 -10.227 1.00 0.00 H new ATOM 1984 N LEU A 127 1.860 0.955 -5.272 1.00 0.00 N ATOM 1985 CA LEU A 127 1.089 1.603 -4.206 1.00 0.00 C ATOM 1986 C LEU A 127 1.919 2.791 -3.729 1.00 0.00 C ATOM 1987 O LEU A 127 3.082 2.622 -3.372 1.00 0.00 O ATOM 1988 CB LEU A 127 0.802 0.616 -3.046 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.413 -0.325 -3.214 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.722 0.409 -2.939 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.443 -1.052 -4.562 1.00 0.00 C ATOM 0 H LEU A 127 2.614 0.365 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 127 0.117 1.933 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.689 0.001 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.659 1.196 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.297 -1.106 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.558 -0.279 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.717 0.791 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.827 1.240 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.322 -1.694 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.484 -0.321 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.456 -1.659 -4.668 1.00 0.00 H new ATOM 2003 N ASN A 128 1.340 3.988 -3.749 1.00 0.00 N ATOM 2004 CA ASN A 128 2.015 5.236 -3.399 1.00 0.00 C ATOM 2005 C ASN A 128 1.354 5.839 -2.156 1.00 0.00 C ATOM 2006 O ASN A 128 0.143 6.050 -2.156 1.00 0.00 O ATOM 2007 CB ASN A 128 1.991 6.249 -4.559 1.00 0.00 C ATOM 2008 CG ASN A 128 2.273 5.666 -5.944 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.355 5.818 -6.496 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.305 5.011 -6.560 1.00 0.00 N ATOM 0 H ASN A 128 0.364 4.121 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 128 3.061 5.009 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.013 6.731 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.726 7.028 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.460 4.633 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.403 4.884 -6.101 1.00 0.00 H new ATOM 2017 N PHE A 129 2.139 6.101 -1.109 1.00 0.00 N ATOM 2018 CA PHE A 129 1.685 6.647 0.166 1.00 0.00 C ATOM 2019 C PHE A 129 2.028 8.145 0.266 1.00 0.00 C ATOM 2020 O PHE A 129 3.100 8.567 -0.169 1.00 0.00 O ATOM 2021 CB PHE A 129 2.336 5.839 1.307 1.00 0.00 C ATOM 2022 CG PHE A 129 2.213 4.323 1.247 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.071 3.701 0.704 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.247 3.524 1.772 1.00 0.00 C ATOM 2025 CE1 PHE A 129 0.961 2.300 0.695 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.140 2.122 1.757 1.00 0.00 C ATOM 2027 CZ PHE A 129 1.994 1.510 1.223 1.00 0.00 C ATOM 0 H PHE A 129 3.145 5.932 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 129 0.601 6.562 0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.396 6.091 1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.902 6.176 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.276 4.305 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.127 3.991 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.081 1.831 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.939 1.515 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.908 0.433 1.219 1.00 0.00 H new ATOM 2037 N GLU A 130 1.160 8.947 0.884 1.00 0.00 N ATOM 2038 CA GLU A 130 1.439 10.351 1.207 1.00 0.00 C ATOM 2039 C GLU A 130 0.655 10.777 2.446 1.00 0.00 C ATOM 2040 O GLU A 130 -0.554 10.591 2.490 1.00 0.00 O ATOM 2041 CB GLU A 130 1.073 11.278 0.026 1.00 0.00 C ATOM 2042 CG GLU A 130 2.306 11.901 -0.644 1.00 0.00 C ATOM 2043 CD GLU A 130 2.935 13.002 0.233 1.00 0.00 C ATOM 2044 OE1 GLU A 130 3.427 12.700 1.347 1.00 0.00 O ATOM 2045 OE2 GLU A 130 2.936 14.181 -0.192 1.00 0.00 O ATOM 0 H GLU A 130 0.233 8.639 1.178 1.00 0.00 H new ATOM 0 HA GLU A 130 2.507 10.439 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.510 10.710 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.418 12.073 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 130 3.045 11.124 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.023 12.322 -1.609 1.00 0.00 H new ATOM 2052 N VAL A 131 1.302 11.369 3.447 1.00 0.00 N ATOM 2053 CA VAL A 131 0.601 11.893 4.630 1.00 0.00 C ATOM 2054 C VAL A 131 -0.167 13.167 4.256 1.00 0.00 C ATOM 2055 O VAL A 131 0.424 14.171 3.858 1.00 0.00 O ATOM 2056 CB VAL A 131 1.534 12.056 5.847 1.00 0.00 C ATOM 2057 CG1 VAL A 131 2.842 12.782 5.525 1.00 0.00 C ATOM 2058 CG2 VAL A 131 0.824 12.729 7.032 1.00 0.00 C ATOM 0 H VAL A 131 2.313 11.501 3.468 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.134 11.158 4.957 1.00 0.00 H new ATOM 0 HB VAL A 131 1.802 11.039 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.447 12.860 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 131 3.391 12.223 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.621 13.781 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.519 12.823 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.478 13.719 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.029 12.123 7.337 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.496 13.096 4.363 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.430 14.168 3.970 1.00 0.00 C ATOM 2070 C VAL A 132 -2.812 15.085 5.145 1.00 0.00 C ATOM 2071 O VAL A 132 -3.056 16.269 4.921 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.667 13.597 3.231 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.685 12.896 4.123 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.359 14.663 2.369 1.00 0.00 C ATOM 0 H VAL A 132 -1.970 12.273 4.734 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.901 14.807 3.262 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.254 12.821 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.512 12.532 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.209 12.056 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.063 13.599 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.221 14.222 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.689 15.486 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.659 15.039 1.623 1.00 0.00 H new ATOM 2084 N MET A 133 -2.785 14.577 6.391 1.00 0.00 N ATOM 2085 CA MET A 133 -2.849 15.387 7.624 1.00 0.00 C ATOM 2086 C MET A 133 -2.372 14.616 8.862 1.00 0.00 C ATOM 2087 O MET A 133 -2.574 13.409 8.958 1.00 0.00 O ATOM 2088 CB MET A 133 -4.237 16.026 7.846 1.00 0.00 C ATOM 2089 CG MET A 133 -5.371 15.015 8.041 1.00 0.00 C ATOM 2090 SD MET A 133 -7.012 15.729 8.316 1.00 0.00 S ATOM 2091 CE MET A 133 -7.380 16.308 6.638 1.00 0.00 C ATOM 0 H MET A 133 -2.717 13.576 6.573 1.00 0.00 H new ATOM 0 HA MET A 133 -2.147 16.208 7.475 1.00 0.00 H new ATOM 0 HB2 MET A 133 -4.190 16.675 8.720 1.00 0.00 H new ATOM 0 HB3 MET A 133 -4.474 16.660 6.991 1.00 0.00 H new ATOM 0 HG2 MET A 133 -5.416 14.372 7.162 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.124 14.378 8.890 1.00 0.00 H new ATOM 0 HE1 MET A 133 -8.403 16.682 6.598 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.690 17.108 6.370 1.00 0.00 H new ATOM 0 HE3 MET A 133 -7.268 15.482 5.935 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.754 15.303 9.822 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.280 14.707 11.076 1.00 0.00 C ATOM 2103 C GLU A 134 -2.380 14.774 12.148 1.00 0.00 C ATOM 2104 O GLU A 134 -3.003 15.823 12.351 1.00 0.00 O ATOM 2105 CB GLU A 134 0.009 15.411 11.525 1.00 0.00 C ATOM 2106 CG GLU A 134 0.672 14.721 12.721 1.00 0.00 C ATOM 2107 CD GLU A 134 1.994 15.413 13.084 1.00 0.00 C ATOM 2108 OE1 GLU A 134 1.970 16.423 13.828 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.069 14.955 12.629 1.00 0.00 O ATOM 0 H GLU A 134 -1.565 16.303 9.752 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.049 13.653 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.711 15.440 10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.218 16.444 11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.002 14.741 13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.857 13.673 12.486 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.627 13.640 12.816 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.699 13.466 13.812 1.00 0.00 C ATOM 2118 C LYS A 135 -3.323 13.823 15.256 1.00 0.00 C ATOM 2119 O LYS A 135 -2.126 13.830 15.626 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.240 12.029 13.722 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.285 11.876 12.609 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.589 12.663 12.823 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.239 12.431 14.194 1.00 0.00 C ATOM 2124 NZ LYS A 135 -6.935 13.503 15.189 1.00 0.00 N ATOM 2125 OXT LYS A 135 -4.282 14.084 16.021 1.00 0.00 O ATOM 0 H LYS A 135 -2.074 12.794 12.677 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.471 14.191 13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.414 11.342 13.540 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.684 11.748 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.838 12.193 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.530 10.819 12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.383 13.727 12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.300 12.388 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -8.319 12.360 14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.901 11.473 14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -7.418 13.292 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -5.909 13.546 15.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.266 14.419 14.825 1.00 0.00 H new TER 2139 LYS A 135