USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.615 K(o=-0.61,f=-0.089) USER MOD Single : A 22 ASN : amide:sc= -4.74! X(o=-4.7!,f=-4.3) USER MOD Single : A 23 THR OG1 : rot 100:sc= -3.86! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -170:sc= -1.4! USER MOD Single : A 40 MET CE :methyl -168:sc= -0.306 (180deg=-0.788) USER MOD Single : A 41 MET CE :methyl -151:sc= -0.789 (180deg=-1.72) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= -3.53! (180deg=-6.95!) USER MOD Single : A 44 ASN : amide:sc= -2.93! C(o=-2.9!,f=-1.1!) USER MOD Single : A 46 MET CE :methyl -134:sc= -3.64! (180deg=-8.08!) USER MOD Single : A 52 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -8.29! C(o=-8.3!,f=-7.6!) USER MOD Single : A 65 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 165:sc= -0.407 USER MOD Single : A 78 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-5.2!) USER MOD Single : A 79 GLN : amide:sc= -0.727 K(o=-0.73,f=-0.17) USER MOD Single : A 81 SER OG : rot 100:sc= -7.1! USER MOD Single : A 83 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.0066) USER MOD Single : A 85 SER OG : rot -62:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -5.694 26.108 -7.262 1.00 0.00 N ATOM 16 CA ASP A 4 -4.676 25.274 -7.892 1.00 0.00 C ATOM 17 C ASP A 4 -3.295 25.571 -7.317 1.00 0.00 C ATOM 18 O ASP A 4 -2.546 26.381 -7.863 1.00 0.00 O ATOM 19 CB ASP A 4 -4.671 25.497 -9.405 1.00 0.00 C ATOM 20 CG ASP A 4 -3.533 24.768 -10.092 1.00 0.00 C ATOM 21 OD1 ASP A 4 -3.279 23.597 -9.740 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.895 25.369 -10.982 1.00 0.00 O ATOM 0 HA ASP A 4 -4.917 24.231 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.620 25.160 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.593 26.564 -9.612 1.00 0.00 H new ATOM 27 N ILE A 5 -2.966 24.910 -6.212 1.00 0.00 N ATOM 28 CA ILE A 5 -1.676 25.103 -5.563 1.00 0.00 C ATOM 29 C ILE A 5 -0.647 24.101 -6.090 1.00 0.00 C ATOM 30 O ILE A 5 -0.855 23.479 -7.131 1.00 0.00 O ATOM 31 CB ILE A 5 -1.810 25.001 -4.021 1.00 0.00 C ATOM 32 CG1 ILE A 5 -0.991 26.102 -3.348 1.00 0.00 C ATOM 33 CG2 ILE A 5 -1.400 23.629 -3.497 1.00 0.00 C ATOM 34 CD1 ILE A 5 -1.267 27.479 -3.911 1.00 0.00 C ATOM 0 H ILE A 5 -3.575 24.236 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.324 26.106 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.863 25.135 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.206 26.104 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.070 25.877 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.511 23.606 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.036 22.864 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.360 23.435 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.654 28.215 -3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.026 27.493 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.321 27.723 -3.775 1.00 0.00 H new ATOM 46 N ASP A 6 0.463 23.951 -5.373 1.00 0.00 N ATOM 47 CA ASP A 6 1.514 23.026 -5.784 1.00 0.00 C ATOM 48 C ASP A 6 1.252 21.620 -5.255 1.00 0.00 C ATOM 49 O ASP A 6 1.342 20.640 -5.995 1.00 0.00 O ATOM 50 CB ASP A 6 2.878 23.510 -5.290 1.00 0.00 C ATOM 51 CG ASP A 6 3.994 22.554 -5.661 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.794 21.328 -5.526 1.00 0.00 O ATOM 53 OD2 ASP A 6 5.067 23.030 -6.088 1.00 0.00 O ATOM 0 H ASP A 6 0.657 24.456 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 6 1.514 22.994 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.088 24.492 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.849 23.629 -4.207 1.00 0.00 H new ATOM 58 N GLU A 7 0.942 21.533 -3.969 1.00 0.00 N ATOM 59 CA GLU A 7 0.680 20.253 -3.323 1.00 0.00 C ATOM 60 C GLU A 7 1.977 19.476 -3.138 1.00 0.00 C ATOM 61 O GLU A 7 2.335 19.105 -2.020 1.00 0.00 O ATOM 62 CB GLU A 7 -0.308 19.422 -4.141 1.00 0.00 C ATOM 63 CG GLU A 7 -1.634 20.117 -4.419 1.00 0.00 C ATOM 64 CD GLU A 7 -1.654 20.813 -5.766 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.982 20.319 -6.695 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.342 21.847 -5.893 1.00 0.00 O ATOM 0 H GLU A 7 0.865 22.339 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 7 0.241 20.453 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.157 19.159 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.504 18.489 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.440 19.384 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.829 20.847 -3.634 1.00 0.00 H new ATOM 73 N CYS A 8 2.682 19.236 -4.240 1.00 0.00 N ATOM 74 CA CYS A 8 3.942 18.506 -4.197 1.00 0.00 C ATOM 75 C CYS A 8 4.982 19.279 -3.392 1.00 0.00 C ATOM 76 O CYS A 8 6.014 18.732 -3.004 1.00 0.00 O ATOM 77 CB CYS A 8 4.456 18.252 -5.616 1.00 0.00 C ATOM 78 SG CYS A 8 5.721 16.943 -5.733 1.00 0.00 S ATOM 0 H CYS A 8 2.401 19.537 -5.173 1.00 0.00 H new ATOM 0 HA CYS A 8 3.768 17.547 -3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.613 17.984 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.872 19.179 -6.011 1.00 0.00 H new ATOM 83 N ARG A 9 4.698 20.554 -3.141 1.00 0.00 N ATOM 84 CA ARG A 9 5.603 21.403 -2.377 1.00 0.00 C ATOM 85 C ARG A 9 5.496 21.100 -0.887 1.00 0.00 C ATOM 86 O ARG A 9 6.479 21.191 -0.152 1.00 0.00 O ATOM 87 CB ARG A 9 5.295 22.879 -2.631 1.00 0.00 C ATOM 88 CG ARG A 9 6.521 23.700 -2.995 1.00 0.00 C ATOM 89 CD ARG A 9 6.237 24.629 -4.162 1.00 0.00 C ATOM 90 NE ARG A 9 6.952 25.895 -4.040 1.00 0.00 N ATOM 91 CZ ARG A 9 8.271 26.012 -4.161 1.00 0.00 C ATOM 92 NH1 ARG A 9 9.013 24.940 -4.404 1.00 0.00 N ATOM 93 NH2 ARG A 9 8.848 27.199 -4.037 1.00 0.00 N ATOM 0 H ARG A 9 3.848 21.021 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 9 6.621 21.193 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.564 22.956 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.834 23.304 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.839 24.284 -2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.345 23.034 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.523 24.139 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.166 24.822 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 9 6.409 26.738 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.572 24.025 -4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.025 25.030 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.280 28.025 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.860 27.286 -4.130 1.00 0.00 H new ATOM 107 N ILE A 10 4.295 20.737 -0.449 1.00 0.00 N ATOM 108 CA ILE A 10 4.063 20.417 0.952 1.00 0.00 C ATOM 109 C ILE A 10 5.209 19.586 1.511 1.00 0.00 C ATOM 110 O ILE A 10 5.605 19.748 2.666 1.00 0.00 O ATOM 111 CB ILE A 10 2.741 19.644 1.138 1.00 0.00 C ATOM 112 CG1 ILE A 10 1.547 20.572 0.909 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.676 19.015 2.523 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.299 21.532 2.053 1.00 0.00 C ATOM 0 H ILE A 10 3.470 20.658 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 10 4.000 21.361 1.493 1.00 0.00 H new ATOM 0 HB ILE A 10 2.702 18.842 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.711 21.143 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.653 19.969 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.736 18.475 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.509 18.323 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.737 19.796 3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.438 22.159 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.103 20.968 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.177 22.161 2.197 1.00 0.00 H new ATOM 126 N SER A 11 5.734 18.691 0.685 1.00 0.00 N ATOM 127 CA SER A 11 6.829 17.827 1.093 1.00 0.00 C ATOM 128 C SER A 11 7.441 17.115 -0.108 1.00 0.00 C ATOM 129 O SER A 11 6.841 17.055 -1.182 1.00 0.00 O ATOM 130 CB SER A 11 6.327 16.801 2.107 1.00 0.00 C ATOM 131 OG SER A 11 7.006 16.928 3.344 1.00 0.00 O ATOM 0 H SER A 11 5.417 18.546 -0.274 1.00 0.00 H new ATOM 0 HA SER A 11 7.601 18.444 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.256 16.933 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.471 15.795 1.712 1.00 0.00 H new ATOM 0 HG SER A 11 6.664 16.261 3.975 1.00 0.00 H new ATOM 137 N PRO A 12 8.648 16.561 0.066 1.00 0.00 N ATOM 138 CA PRO A 12 9.354 15.845 -0.986 1.00 0.00 C ATOM 139 C PRO A 12 9.004 14.364 -0.995 1.00 0.00 C ATOM 140 O PRO A 12 9.145 13.685 -2.013 1.00 0.00 O ATOM 141 CB PRO A 12 10.813 16.048 -0.596 1.00 0.00 C ATOM 142 CG PRO A 12 10.804 16.133 0.898 1.00 0.00 C ATOM 143 CD PRO A 12 9.422 16.586 1.314 1.00 0.00 C ATOM 0 HA PRO A 12 9.105 16.202 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.433 15.220 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.218 16.957 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.040 15.165 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.560 16.836 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.993 15.921 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.444 17.585 1.750 1.00 0.00 H new ATOM 151 N ASP A 13 8.538 13.875 0.147 1.00 0.00 N ATOM 152 CA ASP A 13 8.154 12.478 0.282 1.00 0.00 C ATOM 153 C ASP A 13 6.640 12.340 0.214 1.00 0.00 C ATOM 154 O ASP A 13 6.080 11.309 0.591 1.00 0.00 O ATOM 155 CB ASP A 13 8.676 11.906 1.601 1.00 0.00 C ATOM 156 CG ASP A 13 8.783 10.394 1.573 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.762 9.722 1.828 1.00 0.00 O ATOM 158 OD2 ASP A 13 9.889 9.882 1.298 1.00 0.00 O ATOM 0 H ASP A 13 8.417 14.428 0.995 1.00 0.00 H new ATOM 0 HA ASP A 13 8.596 11.916 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.655 12.333 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.012 12.206 2.412 1.00 0.00 H new ATOM 163 N LEU A 14 5.982 13.388 -0.270 1.00 0.00 N ATOM 164 CA LEU A 14 4.531 13.389 -0.391 1.00 0.00 C ATOM 165 C LEU A 14 4.040 12.086 -1.003 1.00 0.00 C ATOM 166 O LEU A 14 3.127 11.445 -0.488 1.00 0.00 O ATOM 167 CB LEU A 14 4.077 14.562 -1.257 1.00 0.00 C ATOM 168 CG LEU A 14 2.893 15.354 -0.705 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.017 16.817 -1.083 1.00 0.00 C ATOM 170 CD2 LEU A 14 1.581 14.784 -1.219 1.00 0.00 C ATOM 0 H LEU A 14 6.432 14.248 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 14 4.107 13.490 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.918 15.242 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.813 14.184 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 14 2.900 15.272 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.167 17.369 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.940 17.223 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.033 16.912 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.750 15.362 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.563 14.836 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.488 13.745 -0.904 1.00 0.00 H new ATOM 182 N CYS A 15 4.659 11.708 -2.111 1.00 0.00 N ATOM 183 CA CYS A 15 4.303 10.489 -2.819 1.00 0.00 C ATOM 184 C CYS A 15 4.479 9.259 -1.942 1.00 0.00 C ATOM 185 O CYS A 15 4.021 8.174 -2.285 1.00 0.00 O ATOM 186 CB CYS A 15 5.168 10.349 -4.070 1.00 0.00 C ATOM 187 SG CYS A 15 4.242 9.925 -5.575 1.00 0.00 S ATOM 0 H CYS A 15 5.418 12.235 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 15 3.251 10.559 -3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.700 11.286 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.922 9.582 -3.893 1.00 0.00 H new ATOM 192 N GLY A 16 5.159 9.431 -0.818 1.00 0.00 N ATOM 193 CA GLY A 16 5.401 8.321 0.078 1.00 0.00 C ATOM 194 C GLY A 16 6.550 7.448 -0.394 1.00 0.00 C ATOM 195 O GLY A 16 7.026 6.581 0.340 1.00 0.00 O ATOM 0 H GLY A 16 5.548 10.322 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.621 8.702 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.497 7.717 0.160 1.00 0.00 H new ATOM 199 N ARG A 17 6.999 7.684 -1.626 1.00 0.00 N ATOM 200 CA ARG A 17 8.099 6.927 -2.210 1.00 0.00 C ATOM 201 C ARG A 17 8.350 7.370 -3.647 1.00 0.00 C ATOM 202 O ARG A 17 9.494 7.444 -4.095 1.00 0.00 O ATOM 203 CB ARG A 17 7.803 5.429 -2.183 1.00 0.00 C ATOM 204 CG ARG A 17 8.942 4.587 -2.732 1.00 0.00 C ATOM 205 CD ARG A 17 9.816 4.047 -1.616 1.00 0.00 C ATOM 206 NE ARG A 17 10.653 2.937 -2.062 1.00 0.00 N ATOM 207 CZ ARG A 17 11.759 2.550 -1.433 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.155 3.180 -0.335 1.00 0.00 N ATOM 209 NH2 ARG A 17 12.468 1.532 -1.901 1.00 0.00 N ATOM 0 H ARG A 17 6.612 8.400 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 17 8.991 7.121 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.595 5.124 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.901 5.232 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.537 3.758 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.546 5.188 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.450 4.847 -1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.186 3.716 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 17 10.374 2.430 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.611 3.963 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.004 2.882 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.165 1.045 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.316 1.236 -1.418 1.00 0.00 H new ATOM 223 N GLY A 18 7.269 7.658 -4.363 1.00 0.00 N ATOM 224 CA GLY A 18 7.382 8.085 -5.744 1.00 0.00 C ATOM 225 C GLY A 18 7.627 9.575 -5.875 1.00 0.00 C ATOM 226 O GLY A 18 8.524 10.121 -5.233 1.00 0.00 O ATOM 0 H GLY A 18 6.314 7.603 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.198 7.543 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.469 7.822 -6.278 1.00 0.00 H new ATOM 230 N GLN A 19 6.834 10.232 -6.715 1.00 0.00 N ATOM 231 CA GLN A 19 6.979 11.666 -6.933 1.00 0.00 C ATOM 232 C GLN A 19 5.625 12.334 -7.164 1.00 0.00 C ATOM 233 O GLN A 19 4.928 12.021 -8.128 1.00 0.00 O ATOM 234 CB GLN A 19 7.890 11.917 -8.133 1.00 0.00 C ATOM 235 CG GLN A 19 9.054 10.945 -8.222 1.00 0.00 C ATOM 236 CD GLN A 19 10.201 11.480 -9.056 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.727 10.786 -9.926 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.595 12.721 -8.795 1.00 0.00 N ATOM 0 H GLN A 19 6.086 9.795 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 19 7.422 12.101 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.300 11.850 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.279 12.934 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.414 10.722 -7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.705 10.006 -8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.130 13.261 -8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.362 13.135 -9.325 1.00 0.00 H new ATOM 247 N CYS A 20 5.262 13.259 -6.279 1.00 0.00 N ATOM 248 CA CYS A 20 3.992 13.969 -6.402 1.00 0.00 C ATOM 249 C CYS A 20 4.006 14.910 -7.604 1.00 0.00 C ATOM 250 O CYS A 20 5.040 15.482 -7.946 1.00 0.00 O ATOM 251 CB CYS A 20 3.687 14.761 -5.126 1.00 0.00 C ATOM 252 SG CYS A 20 5.138 15.561 -4.364 1.00 0.00 S ATOM 0 H CYS A 20 5.825 13.533 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 20 3.210 13.225 -6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.946 15.526 -5.358 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.234 14.089 -4.397 1.00 0.00 H new ATOM 257 N VAL A 21 2.848 15.069 -8.239 1.00 0.00 N ATOM 258 CA VAL A 21 2.723 15.945 -9.399 1.00 0.00 C ATOM 259 C VAL A 21 1.562 16.917 -9.222 1.00 0.00 C ATOM 260 O VAL A 21 0.602 16.627 -8.512 1.00 0.00 O ATOM 261 CB VAL A 21 2.516 15.146 -10.699 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.088 16.069 -11.832 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.785 14.391 -11.067 1.00 0.00 C ATOM 0 H VAL A 21 1.982 14.602 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 21 3.658 16.501 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 21 1.721 14.419 -10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.947 15.486 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.152 16.561 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.859 16.822 -11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.621 13.832 -11.988 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.601 15.099 -11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.043 13.700 -10.264 1.00 0.00 H new ATOM 273 N ASN A 22 1.662 18.074 -9.868 1.00 0.00 N ATOM 274 CA ASN A 22 0.626 19.095 -9.775 1.00 0.00 C ATOM 275 C ASN A 22 -0.581 18.764 -10.646 1.00 0.00 C ATOM 276 O ASN A 22 -0.463 18.071 -11.657 1.00 0.00 O ATOM 277 CB ASN A 22 1.189 20.457 -10.177 1.00 0.00 C ATOM 278 CG ASN A 22 0.472 21.594 -9.484 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.089 22.480 -10.129 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.483 21.570 -8.159 1.00 0.00 N ATOM 0 H ASN A 22 2.451 18.328 -10.462 1.00 0.00 H new ATOM 0 HA ASN A 22 0.294 19.125 -8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.251 20.496 -9.934 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.104 20.580 -11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.013 22.306 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.961 20.815 -7.667 1.00 0.00 H new ATOM 287 N THR A 23 -1.742 19.277 -10.245 1.00 0.00 N ATOM 288 CA THR A 23 -2.982 19.056 -10.981 1.00 0.00 C ATOM 289 C THR A 23 -3.997 20.149 -10.663 1.00 0.00 C ATOM 290 O THR A 23 -3.938 20.773 -9.604 1.00 0.00 O ATOM 291 CB THR A 23 -3.603 17.685 -10.654 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.216 17.719 -9.360 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.551 16.589 -10.693 1.00 0.00 C ATOM 0 H THR A 23 -1.849 19.852 -9.409 1.00 0.00 H new ATOM 0 HA THR A 23 -2.731 19.081 -12.041 1.00 0.00 H new ATOM 0 HB THR A 23 -4.359 17.467 -11.408 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.183 17.840 -9.459 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.015 15.631 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.109 16.544 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.774 16.805 -9.960 1.00 0.00 H new ATOM 301 N PRO A 24 -4.948 20.391 -11.576 1.00 0.00 N ATOM 302 CA PRO A 24 -5.982 21.410 -11.391 1.00 0.00 C ATOM 303 C PRO A 24 -6.697 21.264 -10.053 1.00 0.00 C ATOM 304 O PRO A 24 -7.444 20.310 -9.838 1.00 0.00 O ATOM 305 CB PRO A 24 -6.959 21.167 -12.552 1.00 0.00 C ATOM 306 CG PRO A 24 -6.557 19.857 -13.151 1.00 0.00 C ATOM 307 CD PRO A 24 -5.095 19.692 -12.856 1.00 0.00 C ATOM 0 HA PRO A 24 -5.561 22.415 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.989 21.136 -12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.900 21.969 -13.288 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.135 19.039 -12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.741 19.848 -14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.813 18.642 -12.780 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.472 20.134 -13.633 1.00 0.00 H new ATOM 315 N GLY A 25 -6.458 22.213 -9.152 1.00 0.00 N ATOM 316 CA GLY A 25 -7.084 22.164 -7.844 1.00 0.00 C ATOM 317 C GLY A 25 -6.831 20.848 -7.140 1.00 0.00 C ATOM 318 O GLY A 25 -7.744 20.257 -6.562 1.00 0.00 O ATOM 0 H GLY A 25 -5.844 23.013 -9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.705 22.981 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.158 22.317 -7.951 1.00 0.00 H new ATOM 322 N ASP A 26 -5.588 20.385 -7.198 1.00 0.00 N ATOM 323 CA ASP A 26 -5.207 19.130 -6.573 1.00 0.00 C ATOM 324 C ASP A 26 -3.814 18.715 -7.028 1.00 0.00 C ATOM 325 O ASP A 26 -3.038 19.539 -7.511 1.00 0.00 O ATOM 326 CB ASP A 26 -6.216 18.037 -6.916 1.00 0.00 C ATOM 327 CG ASP A 26 -6.867 17.442 -5.683 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.371 17.701 -4.566 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.873 16.719 -5.834 1.00 0.00 O ATOM 0 H ASP A 26 -4.825 20.865 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.197 19.271 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.987 18.450 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.715 17.247 -7.476 1.00 0.00 H new ATOM 334 N PHE A 27 -3.500 17.436 -6.873 1.00 0.00 N ATOM 335 CA PHE A 27 -2.197 16.927 -7.271 1.00 0.00 C ATOM 336 C PHE A 27 -2.201 15.403 -7.340 1.00 0.00 C ATOM 337 O PHE A 27 -2.864 14.737 -6.546 1.00 0.00 O ATOM 338 CB PHE A 27 -1.131 17.409 -6.285 1.00 0.00 C ATOM 339 CG PHE A 27 -0.991 16.533 -5.077 1.00 0.00 C ATOM 340 CD1 PHE A 27 -1.858 16.667 -4.007 1.00 0.00 C ATOM 341 CD2 PHE A 27 0.012 15.580 -5.011 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.729 15.866 -2.891 1.00 0.00 C ATOM 343 CE2 PHE A 27 0.145 14.775 -3.897 1.00 0.00 C ATOM 344 CZ PHE A 27 -0.726 14.918 -2.836 1.00 0.00 C ATOM 0 H PHE A 27 -4.127 16.736 -6.476 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.967 17.308 -8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.171 17.462 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.377 18.421 -5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.644 17.407 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.696 15.465 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.411 15.980 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.930 14.034 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.623 14.289 -1.964 1.00 0.00 H new ATOM 354 N GLU A 28 -1.452 14.862 -8.293 1.00 0.00 N ATOM 355 CA GLU A 28 -1.360 13.418 -8.467 1.00 0.00 C ATOM 356 C GLU A 28 -0.023 12.910 -7.944 1.00 0.00 C ATOM 357 O GLU A 28 0.511 13.448 -6.974 1.00 0.00 O ATOM 358 CB GLU A 28 -1.537 13.046 -9.941 1.00 0.00 C ATOM 359 CG GLU A 28 -0.400 13.521 -10.830 1.00 0.00 C ATOM 360 CD GLU A 28 -0.664 13.264 -12.301 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.692 13.754 -12.814 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.157 12.573 -12.939 1.00 0.00 O ATOM 0 H GLU A 28 -0.899 15.402 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.159 12.945 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.625 11.963 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.473 13.471 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.243 14.588 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.521 13.017 -10.536 1.00 0.00 H new ATOM 369 N CYS A 29 0.518 11.871 -8.571 1.00 0.00 N ATOM 370 CA CYS A 29 1.789 11.320 -8.124 1.00 0.00 C ATOM 371 C CYS A 29 2.456 10.443 -9.178 1.00 0.00 C ATOM 372 O CYS A 29 1.866 10.109 -10.204 1.00 0.00 O ATOM 373 CB CYS A 29 1.575 10.506 -6.854 1.00 0.00 C ATOM 374 SG CYS A 29 2.573 11.069 -5.445 1.00 0.00 S ATOM 0 H CYS A 29 0.104 11.401 -9.376 1.00 0.00 H new ATOM 0 HA CYS A 29 2.453 12.163 -7.934 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.521 10.548 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.810 9.462 -7.059 1.00 0.00 H new ATOM 379 N LYS A 30 3.697 10.065 -8.884 1.00 0.00 N ATOM 380 CA LYS A 30 4.490 9.210 -9.755 1.00 0.00 C ATOM 381 C LYS A 30 5.104 8.081 -8.933 1.00 0.00 C ATOM 382 O LYS A 30 6.321 8.010 -8.758 1.00 0.00 O ATOM 383 CB LYS A 30 5.590 10.025 -10.438 1.00 0.00 C ATOM 384 CG LYS A 30 6.195 9.341 -11.653 1.00 0.00 C ATOM 385 CD LYS A 30 6.770 7.978 -11.302 1.00 0.00 C ATOM 386 CE LYS A 30 7.460 7.340 -12.496 1.00 0.00 C ATOM 387 NZ LYS A 30 6.536 6.466 -13.269 1.00 0.00 N ATOM 0 H LYS A 30 4.181 10.346 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 30 3.847 8.786 -10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.180 10.988 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.381 10.228 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.433 9.227 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.980 9.970 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.481 8.082 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.971 7.325 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.852 8.120 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.312 6.754 -12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.045 6.050 -14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.181 5.706 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.736 7.030 -13.619 1.00 0.00 H new ATOM 401 N CYS A 31 4.240 7.222 -8.406 1.00 0.00 N ATOM 402 CA CYS A 31 4.658 6.105 -7.566 1.00 0.00 C ATOM 403 C CYS A 31 5.776 5.285 -8.198 1.00 0.00 C ATOM 404 O CYS A 31 6.326 5.650 -9.238 1.00 0.00 O ATOM 405 CB CYS A 31 3.461 5.209 -7.262 1.00 0.00 C ATOM 406 SG CYS A 31 2.230 5.988 -6.170 1.00 0.00 S ATOM 0 H CYS A 31 3.232 7.279 -8.548 1.00 0.00 H new ATOM 0 HA CYS A 31 5.052 6.525 -6.641 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.979 4.930 -8.199 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.815 4.288 -6.799 1.00 0.00 H new ATOM 411 N ASP A 32 6.114 4.177 -7.542 1.00 0.00 N ATOM 412 CA ASP A 32 7.175 3.295 -8.005 1.00 0.00 C ATOM 413 C ASP A 32 6.764 1.826 -7.892 1.00 0.00 C ATOM 414 O ASP A 32 5.579 1.503 -7.964 1.00 0.00 O ATOM 415 CB ASP A 32 8.441 3.548 -7.185 1.00 0.00 C ATOM 416 CG ASP A 32 9.681 3.665 -8.049 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.819 4.687 -8.753 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.514 2.735 -8.020 1.00 0.00 O ATOM 0 H ASP A 32 5.662 3.870 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 32 7.368 3.509 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.318 4.464 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.575 2.736 -6.471 1.00 0.00 H new ATOM 423 N GLU A 33 7.766 0.957 -7.713 1.00 0.00 N ATOM 424 CA GLU A 33 7.571 -0.491 -7.581 1.00 0.00 C ATOM 425 C GLU A 33 6.105 -0.900 -7.652 1.00 0.00 C ATOM 426 O GLU A 33 5.597 -1.250 -8.717 1.00 0.00 O ATOM 427 CB GLU A 33 8.178 -0.981 -6.266 1.00 0.00 C ATOM 428 CG GLU A 33 9.685 -0.808 -6.189 1.00 0.00 C ATOM 429 CD GLU A 33 10.438 -2.034 -6.668 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.783 -3.052 -6.972 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.684 -1.975 -6.738 1.00 0.00 O ATOM 0 H GLU A 33 8.744 1.242 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 33 8.076 -0.957 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.716 -0.441 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.935 -2.035 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.979 0.052 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.970 -0.590 -5.160 1.00 0.00 H new ATOM 438 N GLY A 34 5.431 -0.864 -6.507 1.00 0.00 N ATOM 439 CA GLY A 34 4.032 -1.245 -6.464 1.00 0.00 C ATOM 440 C GLY A 34 3.213 -0.362 -5.548 1.00 0.00 C ATOM 441 O GLY A 34 2.052 -0.657 -5.270 1.00 0.00 O ATOM 0 H GLY A 34 5.827 -0.579 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.617 -1.201 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.952 -2.280 -6.131 1.00 0.00 H new ATOM 445 N TYR A 35 3.813 0.726 -5.080 1.00 0.00 N ATOM 446 CA TYR A 35 3.121 1.646 -4.191 1.00 0.00 C ATOM 447 C TYR A 35 2.029 2.400 -4.942 1.00 0.00 C ATOM 448 O TYR A 35 2.312 3.281 -5.753 1.00 0.00 O ATOM 449 CB TYR A 35 4.119 2.622 -3.572 1.00 0.00 C ATOM 450 CG TYR A 35 5.257 1.933 -2.853 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.027 0.796 -2.088 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.557 2.413 -2.938 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.058 0.157 -1.429 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.596 1.779 -2.281 1.00 0.00 C ATOM 455 CZ TYR A 35 7.340 0.653 -1.528 1.00 0.00 C ATOM 456 OH TYR A 35 8.371 0.019 -0.873 1.00 0.00 O ATOM 0 H TYR A 35 4.773 0.990 -5.301 1.00 0.00 H new ATOM 0 HA TYR A 35 2.649 1.073 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.526 3.261 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.595 3.272 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.023 0.405 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.760 3.295 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.861 -0.726 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.602 2.164 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 35 9.210 0.494 -1.046 1.00 0.00 H new ATOM 466 N GLU A 36 0.778 2.039 -4.674 1.00 0.00 N ATOM 467 CA GLU A 36 -0.359 2.671 -5.331 1.00 0.00 C ATOM 468 C GLU A 36 -0.836 3.888 -4.543 1.00 0.00 C ATOM 469 O GLU A 36 -0.946 3.839 -3.319 1.00 0.00 O ATOM 470 CB GLU A 36 -1.496 1.650 -5.509 1.00 0.00 C ATOM 471 CG GLU A 36 -2.691 1.865 -4.589 1.00 0.00 C ATOM 472 CD GLU A 36 -3.789 0.844 -4.813 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.750 -0.223 -4.165 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.691 1.113 -5.635 1.00 0.00 O ATOM 0 H GLU A 36 0.527 1.311 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.045 3.018 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.839 1.685 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.098 0.650 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.360 1.816 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.092 2.866 -4.748 1.00 0.00 H new ATOM 481 N SER A 37 -1.116 4.975 -5.260 1.00 0.00 N ATOM 482 CA SER A 37 -1.581 6.217 -4.645 1.00 0.00 C ATOM 483 C SER A 37 -2.341 5.947 -3.350 1.00 0.00 C ATOM 484 O SER A 37 -3.419 5.352 -3.362 1.00 0.00 O ATOM 485 CB SER A 37 -2.476 6.984 -5.620 1.00 0.00 C ATOM 486 OG SER A 37 -3.522 7.650 -4.935 1.00 0.00 O ATOM 0 H SER A 37 -1.028 5.020 -6.275 1.00 0.00 H new ATOM 0 HA SER A 37 -0.704 6.819 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.879 7.710 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.897 6.294 -6.351 1.00 0.00 H new ATOM 0 HG SER A 37 -4.168 8.000 -5.584 1.00 0.00 H new ATOM 492 N GLY A 38 -1.771 6.391 -2.233 1.00 0.00 N ATOM 493 CA GLY A 38 -2.408 6.190 -0.946 1.00 0.00 C ATOM 494 C GLY A 38 -3.911 6.343 -1.019 1.00 0.00 C ATOM 495 O GLY A 38 -4.638 5.363 -1.179 1.00 0.00 O ATOM 0 H GLY A 38 -0.880 6.886 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.164 5.195 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.007 6.906 -0.229 1.00 0.00 H new ATOM 499 N PHE A 39 -4.371 7.579 -0.900 1.00 0.00 N ATOM 500 CA PHE A 39 -5.797 7.885 -0.949 1.00 0.00 C ATOM 501 C PHE A 39 -6.421 7.787 0.441 1.00 0.00 C ATOM 502 O PHE A 39 -7.442 8.415 0.720 1.00 0.00 O ATOM 503 CB PHE A 39 -6.513 6.955 -1.948 1.00 0.00 C ATOM 504 CG PHE A 39 -7.379 5.895 -1.319 1.00 0.00 C ATOM 505 CD1 PHE A 39 -8.505 6.241 -0.589 1.00 0.00 C ATOM 506 CD2 PHE A 39 -7.068 4.551 -1.464 1.00 0.00 C ATOM 507 CE1 PHE A 39 -9.303 5.270 -0.015 1.00 0.00 C ATOM 508 CE2 PHE A 39 -7.863 3.576 -0.893 1.00 0.00 C ATOM 509 CZ PHE A 39 -8.982 3.935 -0.167 1.00 0.00 C ATOM 0 H PHE A 39 -3.773 8.395 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.919 8.911 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.131 7.563 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.763 6.468 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.762 7.283 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.194 4.263 -2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.177 5.554 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.610 2.533 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.604 3.174 0.281 1.00 0.00 H new ATOM 519 N MET A 40 -5.795 7.002 1.312 1.00 0.00 N ATOM 520 CA MET A 40 -6.285 6.830 2.671 1.00 0.00 C ATOM 521 C MET A 40 -6.039 8.092 3.489 1.00 0.00 C ATOM 522 O MET A 40 -6.733 8.357 4.470 1.00 0.00 O ATOM 523 CB MET A 40 -5.603 5.634 3.337 1.00 0.00 C ATOM 524 CG MET A 40 -5.241 4.523 2.366 1.00 0.00 C ATOM 525 SD MET A 40 -4.684 3.025 3.201 1.00 0.00 S ATOM 526 CE MET A 40 -3.765 3.723 4.571 1.00 0.00 C ATOM 0 H MET A 40 -4.948 6.476 1.099 1.00 0.00 H new ATOM 0 HA MET A 40 -7.358 6.643 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 40 -4.698 5.976 3.839 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.262 5.232 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.108 4.289 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.457 4.873 1.695 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.184 2.939 5.056 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.093 4.497 4.201 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.459 4.158 5.290 1.00 0.00 H new ATOM 536 N MET A 41 -5.047 8.869 3.069 1.00 0.00 N ATOM 537 CA MET A 41 -4.702 10.108 3.752 1.00 0.00 C ATOM 538 C MET A 41 -4.731 11.283 2.781 1.00 0.00 C ATOM 539 O MET A 41 -5.117 12.393 3.146 1.00 0.00 O ATOM 540 CB MET A 41 -3.320 9.995 4.397 1.00 0.00 C ATOM 541 CG MET A 41 -2.981 8.589 4.865 1.00 0.00 C ATOM 542 SD MET A 41 -4.269 7.872 5.903 1.00 0.00 S ATOM 543 CE MET A 41 -4.607 9.237 7.014 1.00 0.00 C ATOM 0 H MET A 41 -4.467 8.661 2.256 1.00 0.00 H new ATOM 0 HA MET A 41 -5.442 10.284 4.533 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.566 10.322 3.681 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.268 10.675 5.248 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.822 7.950 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.043 8.611 5.420 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.949 8.849 7.973 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.698 9.820 7.162 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.380 9.874 6.584 1.00 0.00 H new ATOM 553 N MET A 42 -4.321 11.030 1.541 1.00 0.00 N ATOM 554 CA MET A 42 -4.303 12.070 0.519 1.00 0.00 C ATOM 555 C MET A 42 -3.456 11.659 -0.680 1.00 0.00 C ATOM 556 O MET A 42 -3.899 11.741 -1.824 1.00 0.00 O ATOM 557 CB MET A 42 -3.766 13.378 1.102 1.00 0.00 C ATOM 558 CG MET A 42 -2.673 13.180 2.141 1.00 0.00 C ATOM 559 SD MET A 42 -3.007 14.062 3.678 1.00 0.00 S ATOM 560 CE MET A 42 -1.376 14.691 4.067 1.00 0.00 C ATOM 0 H MET A 42 -3.998 10.117 1.221 1.00 0.00 H new ATOM 0 HA MET A 42 -5.329 12.216 0.180 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.377 13.994 0.291 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.590 13.929 1.555 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.567 12.116 2.353 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.722 13.520 1.731 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.418 15.261 4.995 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.683 13.858 4.184 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.033 15.337 3.259 1.00 0.00 H new ATOM 570 N LYS A 43 -2.233 11.228 -0.408 1.00 0.00 N ATOM 571 CA LYS A 43 -1.315 10.817 -1.461 1.00 0.00 C ATOM 572 C LYS A 43 0.060 10.501 -0.880 1.00 0.00 C ATOM 573 O LYS A 43 0.814 11.405 -0.523 1.00 0.00 O ATOM 574 CB LYS A 43 -1.197 11.924 -2.513 1.00 0.00 C ATOM 575 CG LYS A 43 -1.810 11.567 -3.858 1.00 0.00 C ATOM 576 CD LYS A 43 -0.994 10.510 -4.575 1.00 0.00 C ATOM 577 CE LYS A 43 -1.689 10.029 -5.839 1.00 0.00 C ATOM 578 NZ LYS A 43 -2.223 11.162 -6.642 1.00 0.00 N ATOM 0 H LYS A 43 -1.852 11.154 0.535 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.708 9.916 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.679 12.825 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.143 12.163 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.828 11.205 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.876 12.461 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.015 10.916 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.825 9.665 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.987 9.454 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.504 9.357 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.049 10.984 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.246 11.252 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.748 12.043 -6.358 1.00 0.00 H new ATOM 592 N ASN A 44 0.377 9.213 -0.782 1.00 0.00 N ATOM 593 CA ASN A 44 1.658 8.775 -0.241 1.00 0.00 C ATOM 594 C ASN A 44 1.984 7.350 -0.683 1.00 0.00 C ATOM 595 O ASN A 44 2.335 6.506 0.139 1.00 0.00 O ATOM 596 CB ASN A 44 1.646 8.859 1.287 1.00 0.00 C ATOM 597 CG ASN A 44 0.916 7.693 1.925 1.00 0.00 C ATOM 598 OD1 ASN A 44 1.436 7.042 2.831 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.297 7.426 1.455 1.00 0.00 N ATOM 0 H ASN A 44 -0.239 8.453 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 44 2.431 9.438 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.672 8.887 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.172 9.792 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.837 6.654 1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.689 7.993 0.703 1.00 0.00 H new ATOM 606 N CYS A 45 1.866 7.109 -1.991 1.00 0.00 N ATOM 607 CA CYS A 45 2.140 5.805 -2.606 1.00 0.00 C ATOM 608 C CYS A 45 2.201 4.670 -1.590 1.00 0.00 C ATOM 609 O CYS A 45 3.130 4.576 -0.789 1.00 0.00 O ATOM 610 CB CYS A 45 3.439 5.861 -3.405 1.00 0.00 C ATOM 611 SG CYS A 45 3.367 6.995 -4.825 1.00 0.00 S ATOM 0 H CYS A 45 1.574 7.820 -2.661 1.00 0.00 H new ATOM 0 HA CYS A 45 1.305 5.591 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.250 6.169 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.681 4.860 -3.761 1.00 0.00 H new ATOM 616 N MET A 46 1.200 3.803 -1.646 1.00 0.00 N ATOM 617 CA MET A 46 1.112 2.664 -0.747 1.00 0.00 C ATOM 618 C MET A 46 0.986 1.359 -1.533 1.00 0.00 C ATOM 619 O MET A 46 0.041 1.182 -2.300 1.00 0.00 O ATOM 620 CB MET A 46 -0.096 2.834 0.173 1.00 0.00 C ATOM 621 CG MET A 46 -1.414 2.868 -0.578 1.00 0.00 C ATOM 622 SD MET A 46 -2.834 3.054 0.518 1.00 0.00 S ATOM 623 CE MET A 46 -2.669 1.590 1.536 1.00 0.00 C ATOM 0 H MET A 46 0.431 3.869 -2.312 1.00 0.00 H new ATOM 0 HA MET A 46 2.024 2.618 -0.152 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.115 2.016 0.893 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.015 3.757 0.742 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.400 3.692 -1.291 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.523 1.949 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.638 1.100 1.629 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.959 0.904 1.074 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.309 1.873 2.525 1.00 0.00 H new ATOM 633 N ASP A 47 1.950 0.460 -1.334 1.00 0.00 N ATOM 634 CA ASP A 47 1.973 -0.831 -2.011 1.00 0.00 C ATOM 635 C ASP A 47 0.577 -1.275 -2.424 1.00 0.00 C ATOM 636 O ASP A 47 -0.345 -1.328 -1.612 1.00 0.00 O ATOM 637 CB ASP A 47 2.610 -1.889 -1.109 1.00 0.00 C ATOM 638 CG ASP A 47 1.707 -2.289 0.042 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.652 -2.905 -0.216 1.00 0.00 O ATOM 640 OD2 ASP A 47 2.056 -1.986 1.202 1.00 0.00 O ATOM 0 H ASP A 47 2.735 0.608 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 47 2.570 -0.718 -2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.850 -2.771 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.550 -1.506 -0.713 1.00 0.00 H new ATOM 645 N ILE A 48 0.442 -1.590 -3.701 1.00 0.00 N ATOM 646 CA ILE A 48 -0.823 -2.034 -4.264 1.00 0.00 C ATOM 647 C ILE A 48 -1.382 -3.226 -3.504 1.00 0.00 C ATOM 648 O ILE A 48 -0.832 -3.647 -2.485 1.00 0.00 O ATOM 649 CB ILE A 48 -0.633 -2.440 -5.730 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.700 -3.167 -5.881 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.692 -1.219 -6.638 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.641 -4.351 -6.822 1.00 0.00 C ATOM 0 H ILE A 48 1.205 -1.545 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.523 -1.202 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.440 -3.110 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.449 -2.463 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.031 -3.509 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.555 -1.529 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.661 -0.732 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.098 -0.521 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.624 -4.819 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.084 -5.075 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.341 -4.013 -7.814 1.00 0.00 H new ATOM 664 N ASP A 49 -2.475 -3.777 -4.020 1.00 0.00 N ATOM 665 CA ASP A 49 -3.111 -4.933 -3.410 1.00 0.00 C ATOM 666 C ASP A 49 -2.746 -6.199 -4.172 1.00 0.00 C ATOM 667 O ASP A 49 -3.570 -6.757 -4.893 1.00 0.00 O ATOM 668 CB ASP A 49 -4.630 -4.761 -3.389 1.00 0.00 C ATOM 669 CG ASP A 49 -5.327 -5.884 -2.648 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.704 -6.951 -2.465 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.497 -5.697 -2.249 1.00 0.00 O ATOM 0 H ASP A 49 -2.939 -3.438 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.753 -5.019 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.879 -3.810 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.003 -4.718 -4.412 1.00 0.00 H new ATOM 676 N GLU A 50 -1.505 -6.645 -4.013 1.00 0.00 N ATOM 677 CA GLU A 50 -1.036 -7.844 -4.690 1.00 0.00 C ATOM 678 C GLU A 50 -2.022 -8.993 -4.504 1.00 0.00 C ATOM 679 O GLU A 50 -2.053 -9.935 -5.294 1.00 0.00 O ATOM 680 CB GLU A 50 0.334 -8.247 -4.152 1.00 0.00 C ATOM 681 CG GLU A 50 1.482 -7.455 -4.754 1.00 0.00 C ATOM 682 CD GLU A 50 2.000 -6.377 -3.823 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.321 -6.699 -2.660 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.086 -5.208 -4.256 1.00 0.00 O ATOM 0 H GLU A 50 -0.808 -6.193 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.956 -7.625 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.342 -8.117 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.494 -9.307 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.296 -8.136 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.152 -6.997 -5.686 1.00 0.00 H new ATOM 691 N CYS A 51 -2.827 -8.903 -3.452 1.00 0.00 N ATOM 692 CA CYS A 51 -3.821 -9.930 -3.156 1.00 0.00 C ATOM 693 C CYS A 51 -5.009 -9.817 -4.102 1.00 0.00 C ATOM 694 O CYS A 51 -5.844 -10.718 -4.184 1.00 0.00 O ATOM 695 CB CYS A 51 -4.303 -9.805 -1.709 1.00 0.00 C ATOM 696 SG CYS A 51 -2.967 -9.858 -0.474 1.00 0.00 S ATOM 0 H CYS A 51 -2.811 -8.129 -2.788 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.352 -10.904 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.848 -8.868 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.008 -10.610 -1.501 1.00 0.00 H new ATOM 701 N GLN A 52 -5.078 -8.697 -4.810 1.00 0.00 N ATOM 702 CA GLN A 52 -6.159 -8.446 -5.752 1.00 0.00 C ATOM 703 C GLN A 52 -5.636 -8.458 -7.183 1.00 0.00 C ATOM 704 O GLN A 52 -6.395 -8.639 -8.135 1.00 0.00 O ATOM 705 CB GLN A 52 -6.810 -7.097 -5.445 1.00 0.00 C ATOM 706 CG GLN A 52 -7.975 -7.196 -4.476 1.00 0.00 C ATOM 707 CD GLN A 52 -9.070 -6.190 -4.774 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.252 -6.530 -4.794 1.00 0.00 O ATOM 709 NE2 GLN A 52 -8.679 -4.943 -5.007 1.00 0.00 N ATOM 0 H GLN A 52 -4.393 -7.944 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.902 -9.237 -5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.058 -6.425 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.158 -6.650 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.391 -8.203 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.612 -7.041 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.687 -4.706 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.370 -4.222 -5.213 1.00 0.00 H new ATOM 718 N ARG A 53 -4.331 -8.265 -7.320 1.00 0.00 N ATOM 719 CA ARG A 53 -3.689 -8.252 -8.628 1.00 0.00 C ATOM 720 C ARG A 53 -3.879 -9.586 -9.343 1.00 0.00 C ATOM 721 O ARG A 53 -3.929 -9.642 -10.571 1.00 0.00 O ATOM 722 CB ARG A 53 -2.197 -7.950 -8.476 1.00 0.00 C ATOM 723 CG ARG A 53 -1.394 -8.193 -9.743 1.00 0.00 C ATOM 724 CD ARG A 53 -0.181 -9.063 -9.468 1.00 0.00 C ATOM 725 NE ARG A 53 0.539 -9.403 -10.693 1.00 0.00 N ATOM 726 CZ ARG A 53 1.834 -9.701 -10.726 1.00 0.00 C ATOM 727 NH1 ARG A 53 2.547 -9.700 -9.609 1.00 0.00 N ATOM 728 NH2 ARG A 53 2.418 -9.998 -11.879 1.00 0.00 N ATOM 0 H ARG A 53 -3.694 -8.115 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.156 -7.472 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.075 -6.910 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.790 -8.566 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.026 -8.672 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.073 -7.239 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.491 -8.543 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.497 -9.978 -8.968 1.00 0.00 H new ATOM 0 HE ARG A 53 0.020 -9.412 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.102 -9.470 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.541 -9.929 -9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.873 -9.998 -12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.412 -10.227 -11.903 1.00 0.00 H new ATOM 742 N ASP A 54 -3.984 -10.659 -8.564 1.00 0.00 N ATOM 743 CA ASP A 54 -4.167 -11.992 -9.123 1.00 0.00 C ATOM 744 C ASP A 54 -5.425 -12.651 -8.564 1.00 0.00 C ATOM 745 O ASP A 54 -5.714 -12.556 -7.371 1.00 0.00 O ATOM 746 CB ASP A 54 -2.946 -12.864 -8.827 1.00 0.00 C ATOM 747 CG ASP A 54 -2.099 -13.113 -10.059 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.567 -13.833 -10.966 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.968 -12.586 -10.118 1.00 0.00 O ATOM 0 H ASP A 54 -3.945 -10.630 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.281 -11.892 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.337 -12.383 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.276 -13.819 -8.418 1.00 0.00 H new ATOM 754 N PRO A 55 -6.188 -13.330 -9.431 1.00 0.00 N ATOM 755 CA PRO A 55 -7.420 -14.014 -9.042 1.00 0.00 C ATOM 756 C PRO A 55 -7.148 -15.371 -8.402 1.00 0.00 C ATOM 757 O PRO A 55 -8.059 -16.030 -7.901 1.00 0.00 O ATOM 758 CB PRO A 55 -8.148 -14.184 -10.372 1.00 0.00 C ATOM 759 CG PRO A 55 -7.059 -14.299 -11.385 1.00 0.00 C ATOM 760 CD PRO A 55 -5.901 -13.484 -10.867 1.00 0.00 C ATOM 0 HA PRO A 55 -7.986 -13.459 -8.294 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.780 -15.072 -10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.796 -13.333 -10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.768 -15.340 -11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.391 -13.928 -12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.950 -13.991 -11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.838 -12.518 -11.367 1.00 0.00 H new ATOM 768 N LEU A 56 -5.883 -15.776 -8.418 1.00 0.00 N ATOM 769 CA LEU A 56 -5.475 -17.046 -7.837 1.00 0.00 C ATOM 770 C LEU A 56 -4.432 -16.825 -6.747 1.00 0.00 C ATOM 771 O LEU A 56 -4.009 -17.767 -6.075 1.00 0.00 O ATOM 772 CB LEU A 56 -4.916 -17.971 -8.918 1.00 0.00 C ATOM 773 CG LEU A 56 -5.839 -19.117 -9.326 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.513 -19.725 -8.106 1.00 0.00 C ATOM 775 CD2 LEU A 56 -6.879 -18.634 -10.327 1.00 0.00 C ATOM 0 H LEU A 56 -5.120 -15.239 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.351 -17.516 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.688 -17.376 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.974 -18.391 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.235 -19.890 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.166 -20.540 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.754 -20.110 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.103 -18.962 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.528 -19.464 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.477 -17.842 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.378 -18.250 -11.216 1.00 0.00 H new ATOM 787 N LEU A 57 -4.019 -15.572 -6.579 1.00 0.00 N ATOM 788 CA LEU A 57 -3.028 -15.223 -5.571 1.00 0.00 C ATOM 789 C LEU A 57 -3.441 -15.744 -4.203 1.00 0.00 C ATOM 790 O LEU A 57 -4.499 -15.388 -3.685 1.00 0.00 O ATOM 791 CB LEU A 57 -2.842 -13.709 -5.524 1.00 0.00 C ATOM 792 CG LEU A 57 -1.455 -13.244 -5.084 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.911 -12.203 -6.049 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.508 -12.691 -3.669 1.00 0.00 C ATOM 0 H LEU A 57 -4.357 -14.782 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.081 -15.690 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.049 -13.301 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.583 -13.288 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.781 -14.101 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.078 -11.883 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.839 -12.635 -7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.581 -11.344 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.513 -12.364 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.194 -11.845 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.855 -13.468 -2.988 1.00 0.00 H new ATOM 806 N CYS A 58 -2.603 -16.599 -3.625 1.00 0.00 N ATOM 807 CA CYS A 58 -2.892 -17.175 -2.321 1.00 0.00 C ATOM 808 C CYS A 58 -4.331 -17.673 -2.279 1.00 0.00 C ATOM 809 O CYS A 58 -4.945 -17.760 -1.215 1.00 0.00 O ATOM 810 CB CYS A 58 -2.648 -16.142 -1.219 1.00 0.00 C ATOM 811 SG CYS A 58 -0.952 -15.477 -1.203 1.00 0.00 S ATOM 0 H CYS A 58 -1.723 -16.906 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.225 -18.021 -2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.351 -15.318 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.859 -16.598 -0.252 1.00 0.00 H new ATOM 816 N ARG A 59 -4.857 -17.998 -3.456 1.00 0.00 N ATOM 817 CA ARG A 59 -6.221 -18.490 -3.586 1.00 0.00 C ATOM 818 C ARG A 59 -6.472 -19.662 -2.643 1.00 0.00 C ATOM 819 O ARG A 59 -7.603 -19.904 -2.223 1.00 0.00 O ATOM 820 CB ARG A 59 -6.484 -18.911 -5.033 1.00 0.00 C ATOM 821 CG ARG A 59 -7.958 -18.997 -5.389 1.00 0.00 C ATOM 822 CD ARG A 59 -8.355 -20.409 -5.789 1.00 0.00 C ATOM 823 NE ARG A 59 -9.549 -20.863 -5.082 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.953 -22.129 -5.056 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.259 -23.061 -5.696 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.049 -22.464 -4.391 1.00 0.00 N ATOM 0 H ARG A 59 -4.352 -17.928 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.905 -17.686 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.999 -18.200 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.020 -19.882 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.558 -18.677 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.176 -18.311 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.535 -20.444 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.530 -21.090 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.104 -20.170 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.415 -22.806 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.570 -24.032 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.585 -21.750 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.357 -23.436 -4.372 1.00 0.00 H new ATOM 840 N GLY A 60 -5.407 -20.385 -2.313 1.00 0.00 N ATOM 841 CA GLY A 60 -5.529 -21.521 -1.421 1.00 0.00 C ATOM 842 C GLY A 60 -4.534 -21.466 -0.280 1.00 0.00 C ATOM 843 O GLY A 60 -4.093 -22.501 0.221 1.00 0.00 O ATOM 0 H GLY A 60 -4.461 -20.203 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.541 -21.555 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.380 -22.441 -1.986 1.00 0.00 H new ATOM 847 N GLY A 61 -4.178 -20.253 0.132 1.00 0.00 N ATOM 848 CA GLY A 61 -3.230 -20.087 1.217 1.00 0.00 C ATOM 849 C GLY A 61 -3.424 -18.782 1.965 1.00 0.00 C ATOM 850 O GLY A 61 -4.524 -18.481 2.427 1.00 0.00 O ATOM 0 H GLY A 61 -4.530 -19.382 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.331 -20.919 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.216 -20.126 0.818 1.00 0.00 H new ATOM 854 N VAL A 62 -2.350 -18.009 2.083 1.00 0.00 N ATOM 855 CA VAL A 62 -2.400 -16.728 2.777 1.00 0.00 C ATOM 856 C VAL A 62 -1.662 -15.655 1.988 1.00 0.00 C ATOM 857 O VAL A 62 -0.564 -15.888 1.482 1.00 0.00 O ATOM 858 CB VAL A 62 -1.786 -16.828 4.188 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.561 -15.442 4.775 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.674 -17.662 5.098 1.00 0.00 C ATOM 0 H VAL A 62 -1.433 -18.248 1.706 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.451 -16.454 2.868 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.818 -17.323 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.127 -15.535 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.881 -14.881 4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.513 -14.916 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.225 -17.722 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.657 -17.197 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.777 -18.666 4.685 1.00 0.00 H new ATOM 870 N CYS A 63 -2.270 -14.481 1.881 1.00 0.00 N ATOM 871 CA CYS A 63 -1.665 -13.378 1.148 1.00 0.00 C ATOM 872 C CYS A 63 -1.202 -12.272 2.089 1.00 0.00 C ATOM 873 O CYS A 63 -1.987 -11.414 2.492 1.00 0.00 O ATOM 874 CB CYS A 63 -2.651 -12.811 0.125 1.00 0.00 C ATOM 875 SG CYS A 63 -1.934 -11.536 -0.959 1.00 0.00 S ATOM 0 H CYS A 63 -3.179 -14.269 2.291 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.792 -13.769 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.030 -13.627 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.505 -12.387 0.654 1.00 0.00 H new ATOM 880 N HIS A 64 0.082 -12.296 2.425 1.00 0.00 N ATOM 881 CA HIS A 64 0.663 -11.296 3.308 1.00 0.00 C ATOM 882 C HIS A 64 1.180 -10.109 2.503 1.00 0.00 C ATOM 883 O HIS A 64 2.377 -9.817 2.503 1.00 0.00 O ATOM 884 CB HIS A 64 1.802 -11.903 4.128 1.00 0.00 C ATOM 885 CG HIS A 64 1.397 -13.105 4.922 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.659 -14.397 4.520 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.745 -13.208 6.106 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.188 -15.242 5.418 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.629 -14.545 6.391 1.00 0.00 N ATOM 0 H HIS A 64 0.742 -13.001 2.097 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.115 -10.949 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.615 -12.179 3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.193 -11.145 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.384 -12.390 6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.249 -16.319 5.366 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.183 -14.937 7.220 1.00 0.00 H new ATOM 898 N ASN A 65 0.269 -9.430 1.816 1.00 0.00 N ATOM 899 CA ASN A 65 0.628 -8.271 1.004 1.00 0.00 C ATOM 900 C ASN A 65 1.536 -7.328 1.786 1.00 0.00 C ATOM 901 O ASN A 65 1.148 -6.798 2.826 1.00 0.00 O ATOM 902 CB ASN A 65 -0.630 -7.529 0.552 1.00 0.00 C ATOM 903 CG ASN A 65 -0.316 -6.203 -0.115 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.528 -5.441 0.358 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.995 -5.921 -1.220 1.00 0.00 N ATOM 0 H ASN A 65 -0.724 -9.661 1.804 1.00 0.00 H new ATOM 0 HA ASN A 65 1.166 -8.624 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.189 -8.157 -0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.274 -7.355 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.826 -5.044 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.685 -6.582 -1.577 1.00 0.00 H new ATOM 912 N THR A 66 2.746 -7.125 1.280 1.00 0.00 N ATOM 913 CA THR A 66 3.710 -6.249 1.930 1.00 0.00 C ATOM 914 C THR A 66 4.024 -5.035 1.063 1.00 0.00 C ATOM 915 O THR A 66 3.361 -4.792 0.054 1.00 0.00 O ATOM 916 CB THR A 66 5.022 -6.995 2.245 1.00 0.00 C ATOM 917 OG1 THR A 66 5.998 -6.718 1.232 1.00 0.00 O ATOM 918 CG2 THR A 66 4.784 -8.496 2.329 1.00 0.00 C ATOM 0 H THR A 66 3.083 -7.557 0.419 1.00 0.00 H new ATOM 0 HA THR A 66 3.256 -5.916 2.863 1.00 0.00 H new ATOM 0 HB THR A 66 5.390 -6.646 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.829 -7.194 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.724 -9.001 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.062 -8.706 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.395 -8.857 1.377 1.00 0.00 H new ATOM 926 N GLU A 67 5.039 -4.275 1.464 1.00 0.00 N ATOM 927 CA GLU A 67 5.442 -3.085 0.724 1.00 0.00 C ATOM 928 C GLU A 67 6.150 -3.465 -0.572 1.00 0.00 C ATOM 929 O GLU A 67 7.058 -4.295 -0.574 1.00 0.00 O ATOM 930 CB GLU A 67 6.359 -2.212 1.582 1.00 0.00 C ATOM 931 CG GLU A 67 5.613 -1.357 2.594 1.00 0.00 C ATOM 932 CD GLU A 67 5.589 -1.979 3.977 1.00 0.00 C ATOM 933 OE1 GLU A 67 6.496 -2.781 4.284 1.00 0.00 O ATOM 934 OE2 GLU A 67 4.663 -1.663 4.753 1.00 0.00 O ATOM 0 H GLU A 67 5.597 -4.463 2.297 1.00 0.00 H new ATOM 0 HA GLU A 67 4.543 -2.521 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.066 -2.852 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.943 -1.562 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.081 -0.374 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.590 -1.204 2.251 1.00 0.00 H new ATOM 941 N GLY A 68 5.728 -2.852 -1.673 1.00 0.00 N ATOM 942 CA GLY A 68 6.332 -3.140 -2.960 1.00 0.00 C ATOM 943 C GLY A 68 6.542 -4.625 -3.179 1.00 0.00 C ATOM 944 O GLY A 68 7.509 -5.032 -3.824 1.00 0.00 O ATOM 0 H GLY A 68 4.978 -2.161 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.697 -2.744 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.290 -2.626 -3.032 1.00 0.00 H new ATOM 948 N SER A 69 5.636 -5.434 -2.641 1.00 0.00 N ATOM 949 CA SER A 69 5.725 -6.882 -2.778 1.00 0.00 C ATOM 950 C SER A 69 4.668 -7.572 -1.923 1.00 0.00 C ATOM 951 O SER A 69 4.025 -6.938 -1.086 1.00 0.00 O ATOM 952 CB SER A 69 7.119 -7.370 -2.377 1.00 0.00 C ATOM 953 OG SER A 69 7.588 -8.366 -3.269 1.00 0.00 O ATOM 0 H SER A 69 4.831 -5.110 -2.105 1.00 0.00 H new ATOM 0 HA SER A 69 5.547 -7.135 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.813 -6.530 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.090 -7.770 -1.363 1.00 0.00 H new ATOM 0 HG SER A 69 8.481 -8.659 -2.992 1.00 0.00 H new ATOM 959 N TYR A 70 4.493 -8.871 -2.136 1.00 0.00 N ATOM 960 CA TYR A 70 3.510 -9.640 -1.380 1.00 0.00 C ATOM 961 C TYR A 70 4.008 -11.056 -1.114 1.00 0.00 C ATOM 962 O TYR A 70 4.713 -11.641 -1.936 1.00 0.00 O ATOM 963 CB TYR A 70 2.177 -9.670 -2.130 1.00 0.00 C ATOM 964 CG TYR A 70 2.010 -10.854 -3.056 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.441 -10.792 -4.374 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.417 -12.029 -2.612 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.286 -11.869 -5.226 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.260 -13.110 -3.459 1.00 0.00 C ATOM 969 CZ TYR A 70 1.696 -13.026 -4.763 1.00 0.00 C ATOM 970 OH TYR A 70 1.541 -14.101 -5.608 1.00 0.00 O ATOM 0 H TYR A 70 5.017 -9.413 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 70 3.361 -9.153 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.365 -9.675 -1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.080 -8.753 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.905 -9.888 -4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.074 -12.099 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.625 -11.805 -6.249 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.797 -14.017 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 70 1.336 -14.903 -5.083 1.00 0.00 H new ATOM 980 N ARG A 71 3.639 -11.597 0.041 1.00 0.00 N ATOM 981 CA ARG A 71 4.053 -12.942 0.416 1.00 0.00 C ATOM 982 C ARG A 71 2.872 -13.905 0.393 1.00 0.00 C ATOM 983 O ARG A 71 1.782 -13.577 0.857 1.00 0.00 O ATOM 984 CB ARG A 71 4.688 -12.932 1.809 1.00 0.00 C ATOM 985 CG ARG A 71 5.074 -11.544 2.292 1.00 0.00 C ATOM 986 CD ARG A 71 6.324 -11.036 1.592 1.00 0.00 C ATOM 987 NE ARG A 71 7.413 -10.784 2.531 1.00 0.00 N ATOM 988 CZ ARG A 71 8.642 -10.441 2.159 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.935 -10.311 0.872 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.579 -10.227 3.073 1.00 0.00 N ATOM 0 H ARG A 71 3.055 -11.126 0.732 1.00 0.00 H new ATOM 0 HA ARG A 71 4.789 -13.283 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.990 -13.374 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.576 -13.564 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.250 -10.853 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.243 -11.567 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.647 -11.767 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.090 -10.118 1.053 1.00 0.00 H new ATOM 0 HE ARG A 71 7.220 -10.876 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.217 -10.474 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.879 -10.048 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.357 -10.326 4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.522 -9.964 2.785 1.00 0.00 H new ATOM 1004 N CYS A 72 3.098 -15.096 -0.146 1.00 0.00 N ATOM 1005 CA CYS A 72 2.056 -16.111 -0.222 1.00 0.00 C ATOM 1006 C CYS A 72 2.418 -17.300 0.663 1.00 0.00 C ATOM 1007 O CYS A 72 3.521 -17.839 0.572 1.00 0.00 O ATOM 1008 CB CYS A 72 1.862 -16.561 -1.673 1.00 0.00 C ATOM 1009 SG CYS A 72 0.133 -16.918 -2.133 1.00 0.00 S ATOM 0 H CYS A 72 3.995 -15.383 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 72 1.119 -15.684 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.247 -15.785 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.462 -17.454 -1.846 1.00 0.00 H new ATOM 1014 N GLU A 73 1.493 -17.691 1.537 1.00 0.00 N ATOM 1015 CA GLU A 73 1.735 -18.800 2.455 1.00 0.00 C ATOM 1016 C GLU A 73 0.632 -19.853 2.375 1.00 0.00 C ATOM 1017 O GLU A 73 -0.546 -19.550 2.565 1.00 0.00 O ATOM 1018 CB GLU A 73 1.843 -18.266 3.885 1.00 0.00 C ATOM 1019 CG GLU A 73 3.052 -18.787 4.646 1.00 0.00 C ATOM 1020 CD GLU A 73 3.262 -18.069 5.964 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.833 -16.958 5.951 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.858 -18.618 7.011 1.00 0.00 O ATOM 0 H GLU A 73 0.574 -17.258 1.628 1.00 0.00 H new ATOM 0 HA GLU A 73 2.670 -19.279 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.887 -17.177 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.939 -18.533 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.928 -19.854 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.943 -18.673 4.028 1.00 0.00 H new ATOM 1029 N CYS A 74 1.023 -21.095 2.103 1.00 0.00 N ATOM 1030 CA CYS A 74 0.073 -22.195 2.007 1.00 0.00 C ATOM 1031 C CYS A 74 -0.356 -22.706 3.390 1.00 0.00 C ATOM 1032 O CYS A 74 -1.476 -23.187 3.552 1.00 0.00 O ATOM 1033 CB CYS A 74 0.660 -23.345 1.185 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.332 -23.807 -0.274 1.00 0.00 S ATOM 0 H CYS A 74 1.994 -21.363 1.945 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.814 -21.809 1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.661 -23.067 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.767 -24.218 1.828 1.00 0.00 H new ATOM 1039 N PRO A 75 0.536 -22.633 4.410 1.00 0.00 N ATOM 1040 CA PRO A 75 1.891 -22.070 4.276 1.00 0.00 C ATOM 1041 C PRO A 75 2.794 -22.909 3.379 1.00 0.00 C ATOM 1042 O PRO A 75 2.420 -23.997 2.945 1.00 0.00 O ATOM 1043 CB PRO A 75 2.421 -22.078 5.714 1.00 0.00 C ATOM 1044 CG PRO A 75 1.636 -23.143 6.399 1.00 0.00 C ATOM 1045 CD PRO A 75 0.268 -23.085 5.785 1.00 0.00 C ATOM 0 HA PRO A 75 1.872 -21.084 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.489 -22.293 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.279 -21.110 6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.091 -24.123 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.592 -22.969 7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.222 -24.058 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.383 -22.392 6.317 1.00 0.00 H new ATOM 1053 N PRO A 76 4.009 -22.407 3.105 1.00 0.00 N ATOM 1054 CA PRO A 76 4.985 -23.099 2.270 1.00 0.00 C ATOM 1055 C PRO A 76 4.949 -24.612 2.439 1.00 0.00 C ATOM 1056 O PRO A 76 5.273 -25.351 1.510 1.00 0.00 O ATOM 1057 CB PRO A 76 6.307 -22.530 2.775 1.00 0.00 C ATOM 1058 CG PRO A 76 5.984 -21.133 3.187 1.00 0.00 C ATOM 1059 CD PRO A 76 4.530 -21.124 3.605 1.00 0.00 C ATOM 0 HA PRO A 76 4.802 -22.946 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.694 -23.111 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.069 -22.547 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.624 -20.815 4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.154 -20.439 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.426 -21.045 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.995 -20.279 3.171 1.00 0.00 H new ATOM 1067 N GLY A 77 4.544 -25.071 3.623 1.00 0.00 N ATOM 1068 CA GLY A 77 4.468 -26.501 3.866 1.00 0.00 C ATOM 1069 C GLY A 77 3.993 -27.247 2.638 1.00 0.00 C ATOM 1070 O GLY A 77 4.375 -28.395 2.404 1.00 0.00 O ATOM 0 H GLY A 77 4.270 -24.483 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.448 -26.873 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.789 -26.695 4.696 1.00 0.00 H new ATOM 1074 N HIS A 78 3.166 -26.575 1.846 1.00 0.00 N ATOM 1075 CA HIS A 78 2.632 -27.144 0.619 1.00 0.00 C ATOM 1076 C HIS A 78 3.518 -26.747 -0.570 1.00 0.00 C ATOM 1077 O HIS A 78 4.740 -26.888 -0.503 1.00 0.00 O ATOM 1078 CB HIS A 78 1.193 -26.664 0.426 1.00 0.00 C ATOM 1079 CG HIS A 78 0.321 -27.647 -0.293 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -0.871 -27.297 -0.892 1.00 0.00 N ATOM 1081 CD2 HIS A 78 0.473 -28.975 -0.508 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -1.415 -28.368 -1.443 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.619 -29.399 -1.225 1.00 0.00 N ATOM 0 H HIS A 78 2.849 -25.624 2.037 1.00 0.00 H new ATOM 0 HA HIS A 78 2.628 -28.232 0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.757 -26.451 1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.204 -25.727 -0.130 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.299 -29.587 -0.177 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.351 -28.395 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -0.788 -30.355 -1.538 1.00 0.00 H new ATOM 1092 N GLN A 79 2.920 -26.239 -1.650 1.00 0.00 N ATOM 1093 CA GLN A 79 3.684 -25.821 -2.816 1.00 0.00 C ATOM 1094 C GLN A 79 3.106 -24.526 -3.371 1.00 0.00 C ATOM 1095 O GLN A 79 2.567 -24.494 -4.477 1.00 0.00 O ATOM 1096 CB GLN A 79 3.669 -26.912 -3.888 1.00 0.00 C ATOM 1097 CG GLN A 79 5.037 -27.513 -4.163 1.00 0.00 C ATOM 1098 CD GLN A 79 5.503 -27.271 -5.585 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.678 -26.994 -5.827 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.581 -27.374 -6.536 1.00 0.00 N ATOM 0 H GLN A 79 1.912 -26.109 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 79 4.718 -25.651 -2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.989 -27.705 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.272 -26.495 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.763 -27.089 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.004 -28.586 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.619 -27.606 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.836 -27.221 -7.512 1.00 0.00 H new ATOM 1109 N LEU A 80 3.210 -23.465 -2.580 1.00 0.00 N ATOM 1110 CA LEU A 80 2.687 -22.163 -2.966 1.00 0.00 C ATOM 1111 C LEU A 80 3.734 -21.349 -3.714 1.00 0.00 C ATOM 1112 O LEU A 80 4.634 -20.767 -3.108 1.00 0.00 O ATOM 1113 CB LEU A 80 2.221 -21.408 -1.719 1.00 0.00 C ATOM 1114 CG LEU A 80 1.774 -19.963 -1.944 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.301 -19.751 -3.375 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.673 -19.597 -0.960 1.00 0.00 C ATOM 0 H LEU A 80 3.655 -23.483 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 80 1.841 -22.315 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.394 -21.959 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.034 -21.408 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 80 2.631 -19.311 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.989 -18.715 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.115 -19.975 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.459 -20.412 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.362 -18.566 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.179 -20.261 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.046 -19.701 0.059 1.00 0.00 H new ATOM 1128 N SER A 81 3.607 -21.310 -5.034 1.00 0.00 N ATOM 1129 CA SER A 81 4.539 -20.565 -5.866 1.00 0.00 C ATOM 1130 C SER A 81 4.707 -19.140 -5.343 1.00 0.00 C ATOM 1131 O SER A 81 3.738 -18.494 -4.948 1.00 0.00 O ATOM 1132 CB SER A 81 4.055 -20.551 -7.314 1.00 0.00 C ATOM 1133 OG SER A 81 4.992 -19.908 -8.158 1.00 0.00 O ATOM 0 H SER A 81 2.867 -21.786 -5.550 1.00 0.00 H new ATOM 0 HA SER A 81 5.510 -21.058 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.894 -21.573 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.095 -20.039 -7.375 1.00 0.00 H new ATOM 0 HG SER A 81 5.529 -20.582 -8.624 1.00 0.00 H new ATOM 1139 N PRO A 82 5.950 -18.641 -5.318 1.00 0.00 N ATOM 1140 CA PRO A 82 6.259 -17.297 -4.820 1.00 0.00 C ATOM 1141 C PRO A 82 5.972 -16.190 -5.831 1.00 0.00 C ATOM 1142 O PRO A 82 6.645 -16.081 -6.854 1.00 0.00 O ATOM 1143 CB PRO A 82 7.755 -17.378 -4.535 1.00 0.00 C ATOM 1144 CG PRO A 82 8.272 -18.370 -5.520 1.00 0.00 C ATOM 1145 CD PRO A 82 7.159 -19.361 -5.754 1.00 0.00 C ATOM 0 HA PRO A 82 5.644 -17.039 -3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.236 -16.408 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.947 -17.699 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.557 -17.880 -6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.162 -18.869 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.096 -19.651 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.310 -20.275 -5.179 1.00 0.00 H new ATOM 1153 N ASN A 83 4.979 -15.361 -5.518 1.00 0.00 N ATOM 1154 CA ASN A 83 4.595 -14.237 -6.372 1.00 0.00 C ATOM 1155 C ASN A 83 3.860 -14.691 -7.629 1.00 0.00 C ATOM 1156 O ASN A 83 3.405 -13.863 -8.418 1.00 0.00 O ATOM 1157 CB ASN A 83 5.823 -13.404 -6.753 1.00 0.00 C ATOM 1158 CG ASN A 83 6.459 -12.730 -5.552 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.681 -12.713 -5.410 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.628 -12.169 -4.680 1.00 0.00 N ATOM 0 H ASN A 83 4.419 -15.448 -4.670 1.00 0.00 H new ATOM 0 HA ASN A 83 3.907 -13.620 -5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.558 -14.046 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.533 -12.646 -7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.997 -11.700 -3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.621 -12.207 -4.838 1.00 0.00 H new ATOM 1167 N ILE A 84 3.729 -16.000 -7.812 1.00 0.00 N ATOM 1168 CA ILE A 84 3.026 -16.528 -8.975 1.00 0.00 C ATOM 1169 C ILE A 84 1.520 -16.482 -8.744 1.00 0.00 C ATOM 1170 O ILE A 84 0.736 -16.415 -9.691 1.00 0.00 O ATOM 1171 CB ILE A 84 3.456 -17.972 -9.293 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.879 -17.992 -9.852 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.487 -18.615 -10.274 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.906 -17.401 -8.911 1.00 0.00 C ATOM 0 H ILE A 84 4.096 -16.709 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 84 3.286 -15.902 -9.828 1.00 0.00 H new ATOM 0 HB ILE A 84 3.439 -18.549 -8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.157 -19.021 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.899 -17.440 -10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.808 -19.635 -10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.487 -18.632 -9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.471 -18.040 -11.200 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.892 -17.448 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.653 -16.362 -8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.914 -17.967 -7.979 1.00 0.00 H new ATOM 1186 N SER A 85 1.130 -16.500 -7.474 1.00 0.00 N ATOM 1187 CA SER A 85 -0.279 -16.441 -7.100 1.00 0.00 C ATOM 1188 C SER A 85 -1.005 -17.748 -7.412 1.00 0.00 C ATOM 1189 O SER A 85 -1.594 -17.894 -8.483 1.00 0.00 O ATOM 1190 CB SER A 85 -0.962 -15.277 -7.823 1.00 0.00 C ATOM 1191 OG SER A 85 -2.226 -15.662 -8.336 1.00 0.00 O ATOM 0 H SER A 85 1.772 -16.555 -6.683 1.00 0.00 H new ATOM 0 HA SER A 85 -0.330 -16.284 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.085 -14.441 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.327 -14.929 -8.638 1.00 0.00 H new ATOM 0 HG SER A 85 -2.107 -16.376 -8.997 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.971 -18.688 -6.462 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.639 -19.980 -6.627 1.00 0.00 C ATOM 1199 C ALA A 86 -0.978 -21.073 -5.791 1.00 0.00 C ATOM 1200 O ALA A 86 0.049 -21.629 -6.181 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.657 -20.393 -8.092 1.00 0.00 C ATOM 0 H ALA A 86 -0.487 -18.577 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.663 -19.858 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.158 -21.356 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.192 -19.643 -8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.634 -20.476 -8.459 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.583 -21.391 -4.650 1.00 0.00 N ATOM 1208 CA CYS A 87 -1.063 -22.435 -3.772 1.00 0.00 C ATOM 1209 C CYS A 87 -1.036 -23.774 -4.504 1.00 0.00 C ATOM 1210 O CYS A 87 -1.847 -24.012 -5.399 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.927 -22.543 -2.513 1.00 0.00 C ATOM 1212 SG CYS A 87 -1.075 -22.054 -0.978 1.00 0.00 S ATOM 0 H CYS A 87 -2.434 -20.941 -4.312 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.046 -22.173 -3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.812 -21.919 -2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.274 -23.571 -2.411 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.104 -24.648 -4.130 1.00 0.00 N ATOM 1218 CA ILE A 88 0.004 -25.953 -4.771 1.00 0.00 C ATOM 1219 C ILE A 88 0.665 -26.969 -3.848 1.00 0.00 C ATOM 1220 O ILE A 88 0.752 -26.694 -2.633 1.00 0.00 O ATOM 1221 CB ILE A 88 0.805 -25.872 -6.085 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.772 -24.448 -6.646 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.254 -26.860 -7.100 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.454 -24.314 -7.991 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.086 -28.034 -4.346 1.00 0.00 O ATOM 0 H ILE A 88 0.580 -24.477 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.012 -26.277 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 88 1.843 -26.133 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.265 -24.127 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.251 -23.775 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.829 -26.792 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.328 -27.871 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.791 -26.626 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.393 -23.279 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.501 -24.604 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.960 -24.962 -8.715 1.00 0.00 H new