USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 512 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 29 GLN : amide:sc= -1.91! C(o=-0.44!,f=-2.5!) USER MOD Set 1.2: A 65 SER OG : rot -89:sc= 1.47 USER MOD Set 2.1: A 33 GLN : amide:sc= 1.51 K(o=3.2,f=-0.2) USER MOD Set 2.2: A 67 SER OG : rot 158:sc= 1.69 USER MOD Set 3.1: A 24 MET CE :methyl 169:sc= -0.0191 (180deg=-0.0913) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0395) USER MOD Set 4.1: A 3 GLN : amide:sc= 1.17 K(o=4.3,f=0.68) USER MOD Set 4.2: A 8 GLN : amide:sc= 2.11 K(o=4.3,f=-0.91) USER MOD Set 4.3: A 12 CYS SG : rot 73:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0552) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.122 (180deg=-0.252) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= 0.235 (180deg=0.129) USER MOD Single : A 10 GLN : amide:sc= -0.24 K(o=-0.24,f=-10!) USER MOD Single : A 15 GLN : amide:sc= 0.785 K(o=0.78,f=-0.025) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0.43 (180deg=0.105) USER MOD Single : A 19 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.68) USER MOD Single : A 21 ASN : amide:sc= 1.15 K(o=1.2,f=-0.063) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.965 K(o=0.96,f=-0.048) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 0.193 (180deg=-0.722) USER MOD Single : A 47 SER OG : rot 101:sc= 0.695 USER MOD Single : A 51 SER OG : rot 96:sc= 1.29 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.235 (180deg=0.15) USER MOD Single : A 60 ASN : amide:sc= 1.98 K(o=2,f=-6.2!) USER MOD Single : A 62 THR OG1 : rot -61:sc= 1.24 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0.872 (180deg=0.564) USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0838) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.211 3.962 -5.222 1.00 0.00 N ATOM 2 CA MET A 1 14.318 4.863 -4.948 1.00 0.00 C ATOM 3 C MET A 1 14.112 5.494 -3.562 1.00 0.00 C ATOM 4 O MET A 1 12.980 5.491 -3.073 1.00 0.00 O ATOM 5 CB MET A 1 14.371 5.941 -6.048 1.00 0.00 C ATOM 6 CG MET A 1 14.785 5.356 -7.404 1.00 0.00 C ATOM 7 SD MET A 1 14.884 6.562 -8.757 1.00 0.00 S ATOM 8 CE MET A 1 16.350 7.510 -8.268 1.00 0.00 C ATOM 0 H1 MET A 1 13.578 3.006 -5.401 1.00 0.00 H new ATOM 0 H2 MET A 1 12.571 3.939 -4.403 1.00 0.00 H new ATOM 0 H3 MET A 1 12.691 4.296 -6.058 1.00 0.00 H new ATOM 0 HA MET A 1 15.265 4.324 -4.948 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.393 6.414 -6.140 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.076 6.720 -5.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.756 4.874 -7.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.073 4.579 -7.681 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.603 8.221 -9.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.143 8.050 -7.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.187 6.830 -8.110 1.00 0.00 H new ATOM 20 N PRO A 2 15.150 6.066 -2.919 1.00 0.00 N ATOM 21 CA PRO A 2 15.027 6.752 -1.630 1.00 0.00 C ATOM 22 C PRO A 2 14.375 8.138 -1.802 1.00 0.00 C ATOM 23 O PRO A 2 14.980 9.173 -1.523 1.00 0.00 O ATOM 24 CB PRO A 2 16.457 6.795 -1.072 1.00 0.00 C ATOM 25 CG PRO A 2 17.310 6.896 -2.335 1.00 0.00 C ATOM 26 CD PRO A 2 16.551 6.011 -3.322 1.00 0.00 C ATOM 0 HA PRO A 2 14.367 6.240 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 2 16.608 7.649 -0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.693 5.901 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.389 7.924 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.326 6.538 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.677 6.369 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.925 4.987 -3.295 1.00 0.00 H new ATOM 34 N GLN A 3 13.135 8.161 -2.298 1.00 0.00 N ATOM 35 CA GLN A 3 12.346 9.367 -2.483 1.00 0.00 C ATOM 36 C GLN A 3 11.953 9.965 -1.125 1.00 0.00 C ATOM 37 O GLN A 3 11.809 9.239 -0.139 1.00 0.00 O ATOM 38 CB GLN A 3 11.086 9.040 -3.302 1.00 0.00 C ATOM 39 CG GLN A 3 11.386 8.470 -4.696 1.00 0.00 C ATOM 40 CD GLN A 3 10.121 8.423 -5.551 1.00 0.00 C ATOM 41 OE1 GLN A 3 9.783 9.394 -6.214 1.00 0.00 O ATOM 42 NE2 GLN A 3 9.388 7.317 -5.548 1.00 0.00 N ATOM 0 H GLN A 3 12.645 7.315 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 3 12.945 10.101 -3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.480 8.323 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.489 9.945 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.140 9.083 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.803 7.467 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.680 6.513 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.533 7.270 -6.102 1.00 0.00 H new ATOM 51 N LYS A 4 11.666 11.276 -1.088 1.00 0.00 N ATOM 52 CA LYS A 4 11.095 11.996 0.055 1.00 0.00 C ATOM 53 C LYS A 4 9.602 11.665 0.210 1.00 0.00 C ATOM 54 O LYS A 4 8.726 12.531 0.218 1.00 0.00 O ATOM 55 CB LYS A 4 11.317 13.501 -0.114 1.00 0.00 C ATOM 56 CG LYS A 4 12.805 13.893 -0.153 1.00 0.00 C ATOM 57 CD LYS A 4 13.014 15.411 -0.212 1.00 0.00 C ATOM 58 CE LYS A 4 12.511 16.003 -1.533 1.00 0.00 C ATOM 59 NZ LYS A 4 12.757 17.453 -1.605 1.00 0.00 N ATOM 0 H LYS A 4 11.833 11.886 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 4 11.600 11.676 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.836 13.832 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.830 14.028 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.305 13.495 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.276 13.431 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.491 15.883 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.074 15.637 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.007 15.507 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.443 15.809 -1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.404 17.820 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.263 17.928 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.778 17.636 -1.531 1.00 0.00 H new ATOM 73 N ASP A 5 9.329 10.373 0.315 1.00 0.00 N ATOM 74 CA ASP A 5 8.059 9.697 0.228 1.00 0.00 C ATOM 75 C ASP A 5 7.901 8.802 1.469 1.00 0.00 C ATOM 76 O ASP A 5 8.548 7.758 1.530 1.00 0.00 O ATOM 77 CB ASP A 5 8.055 8.929 -1.102 1.00 0.00 C ATOM 78 CG ASP A 5 6.776 8.149 -1.378 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.126 7.676 -0.416 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.417 8.043 -2.570 1.00 0.00 O ATOM 0 H ASP A 5 10.082 9.706 0.482 1.00 0.00 H new ATOM 0 HA ASP A 5 7.204 10.373 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.217 9.636 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.897 8.236 -1.109 1.00 0.00 H new ATOM 85 N PRO A 6 7.060 9.164 2.460 1.00 0.00 N ATOM 86 CA PRO A 6 6.935 8.454 3.742 1.00 0.00 C ATOM 87 C PRO A 6 6.496 6.990 3.630 1.00 0.00 C ATOM 88 O PRO A 6 6.588 6.226 4.595 1.00 0.00 O ATOM 89 CB PRO A 6 5.849 9.201 4.512 1.00 0.00 C ATOM 90 CG PRO A 6 5.785 10.577 3.863 1.00 0.00 C ATOM 91 CD PRO A 6 6.096 10.249 2.410 1.00 0.00 C ATOM 0 HA PRO A 6 7.917 8.436 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.891 8.686 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.095 9.275 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.804 11.038 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.513 11.266 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.196 9.951 1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.505 11.115 1.890 1.00 0.00 H new ATOM 99 N CYS A 7 5.956 6.641 2.461 1.00 0.00 N ATOM 100 CA CYS A 7 5.291 5.402 2.148 1.00 0.00 C ATOM 101 C CYS A 7 6.123 4.516 1.219 1.00 0.00 C ATOM 102 O CYS A 7 5.769 3.366 0.948 1.00 0.00 O ATOM 103 CB CYS A 7 3.935 5.762 1.541 1.00 0.00 C ATOM 104 SG CYS A 7 2.698 6.393 2.720 1.00 0.00 S ATOM 0 H CYS A 7 5.981 7.271 1.659 1.00 0.00 H new ATOM 0 HA CYS A 7 5.155 4.809 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.090 6.512 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.528 4.877 1.051 1.00 0.00 H new ATOM 106 N GLN A 8 7.242 5.039 0.718 1.00 0.00 N ATOM 107 CA GLN A 8 8.046 4.373 -0.284 1.00 0.00 C ATOM 108 C GLN A 8 8.727 3.107 0.262 1.00 0.00 C ATOM 109 O GLN A 8 9.026 2.200 -0.522 1.00 0.00 O ATOM 110 CB GLN A 8 8.986 5.435 -0.863 1.00 0.00 C ATOM 111 CG GLN A 8 10.178 4.932 -1.656 1.00 0.00 C ATOM 112 CD GLN A 8 9.814 4.380 -3.032 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.865 5.091 -4.031 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.424 3.115 -3.111 1.00 0.00 N ATOM 0 H GLN A 8 7.612 5.945 1.005 1.00 0.00 H new ATOM 0 HA GLN A 8 7.439 3.973 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.401 6.092 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.358 6.045 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.891 5.747 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.681 4.153 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.388 2.539 -2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.160 2.718 -4.013 1.00 0.00 H new ATOM 123 N LYS A 9 8.921 2.994 1.582 1.00 0.00 N ATOM 124 CA LYS A 9 9.430 1.773 2.197 1.00 0.00 C ATOM 125 C LYS A 9 8.395 0.664 2.055 1.00 0.00 C ATOM 126 O LYS A 9 8.683 -0.441 1.608 1.00 0.00 O ATOM 127 CB LYS A 9 9.763 2.022 3.680 1.00 0.00 C ATOM 128 CG LYS A 9 10.343 0.805 4.424 1.00 0.00 C ATOM 129 CD LYS A 9 11.525 0.121 3.724 1.00 0.00 C ATOM 130 CE LYS A 9 12.064 -0.995 4.622 1.00 0.00 C ATOM 131 NZ LYS A 9 13.022 -1.852 3.902 1.00 0.00 N ATOM 0 H LYS A 9 8.729 3.744 2.246 1.00 0.00 H new ATOM 0 HA LYS A 9 10.346 1.468 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.476 2.844 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.857 2.345 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.662 1.123 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.549 0.071 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.208 -0.289 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.310 0.848 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.549 -0.559 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.235 -1.601 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.601 -2.378 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.503 -2.523 3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.639 -1.261 3.310 1.00 0.00 H new ATOM 145 N GLN A 10 7.169 0.992 2.425 1.00 0.00 N ATOM 146 CA GLN A 10 6.017 0.130 2.518 1.00 0.00 C ATOM 147 C GLN A 10 5.725 -0.426 1.114 1.00 0.00 C ATOM 148 O GLN A 10 5.553 -1.633 0.962 1.00 0.00 O ATOM 149 CB GLN A 10 4.855 0.922 3.162 1.00 0.00 C ATOM 150 CG GLN A 10 5.134 1.510 4.576 1.00 0.00 C ATOM 151 CD GLN A 10 5.878 2.863 4.625 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.669 3.213 3.763 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.670 3.699 5.627 1.00 0.00 N ATOM 0 H GLN A 10 6.942 1.951 2.689 1.00 0.00 H new ATOM 0 HA GLN A 10 6.181 -0.732 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.586 1.742 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.987 0.267 3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.181 1.626 5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.715 0.781 5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.018 3.451 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.161 4.592 5.656 1.00 0.00 H new ATOM 162 N ALA A 11 5.796 0.426 0.081 1.00 0.00 N ATOM 163 CA ALA A 11 5.764 0.078 -1.339 1.00 0.00 C ATOM 164 C ALA A 11 6.803 -0.962 -1.747 1.00 0.00 C ATOM 165 O ALA A 11 6.498 -1.853 -2.542 1.00 0.00 O ATOM 166 CB ALA A 11 5.982 1.343 -2.166 1.00 0.00 C ATOM 0 H ALA A 11 5.882 1.432 0.227 1.00 0.00 H new ATOM 0 HA ALA A 11 4.787 -0.367 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.960 1.093 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.193 2.062 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.949 1.779 -1.916 1.00 0.00 H new ATOM 172 N CYS A 12 8.025 -0.844 -1.220 1.00 0.00 N ATOM 173 CA CYS A 12 9.063 -1.845 -1.424 1.00 0.00 C ATOM 174 C CYS A 12 8.641 -3.178 -0.808 1.00 0.00 C ATOM 175 O CYS A 12 8.785 -4.229 -1.436 1.00 0.00 O ATOM 176 CB CYS A 12 10.408 -1.407 -0.833 1.00 0.00 C ATOM 177 SG CYS A 12 11.029 0.092 -1.638 1.00 0.00 S ATOM 0 H CYS A 12 8.317 -0.054 -0.644 1.00 0.00 H new ATOM 0 HA CYS A 12 9.192 -1.962 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.296 -1.227 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.136 -2.211 -0.947 1.00 0.00 H new ATOM 0 HG CYS A 12 10.325 1.115 -1.253 1.00 0.00 H new ATOM 182 N GLU A 13 8.103 -3.139 0.415 1.00 0.00 N ATOM 183 CA GLU A 13 7.656 -4.335 1.108 1.00 0.00 C ATOM 184 C GLU A 13 6.487 -5.009 0.400 1.00 0.00 C ATOM 185 O GLU A 13 6.365 -6.223 0.530 1.00 0.00 O ATOM 186 CB GLU A 13 7.316 -4.072 2.581 1.00 0.00 C ATOM 187 CG GLU A 13 8.438 -3.392 3.375 1.00 0.00 C ATOM 188 CD GLU A 13 9.823 -3.992 3.112 1.00 0.00 C ATOM 189 OE1 GLU A 13 10.018 -5.169 3.482 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.662 -3.275 2.518 1.00 0.00 O ATOM 0 H GLU A 13 7.969 -2.278 0.944 1.00 0.00 H new ATOM 0 HA GLU A 13 8.502 -5.021 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.423 -3.449 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.070 -5.020 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.457 -2.331 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.215 -3.465 4.439 1.00 0.00 H new ATOM 197 N ILE A 14 5.676 -4.296 -0.394 1.00 0.00 N ATOM 198 CA ILE A 14 4.694 -4.932 -1.260 1.00 0.00 C ATOM 199 C ILE A 14 5.395 -5.918 -2.179 1.00 0.00 C ATOM 200 O ILE A 14 4.981 -7.074 -2.280 1.00 0.00 O ATOM 201 CB ILE A 14 3.916 -3.917 -2.100 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.282 -2.766 -1.331 1.00 0.00 C ATOM 203 CG2 ILE A 14 2.859 -4.615 -2.963 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.254 -3.156 -0.295 1.00 0.00 C ATOM 0 H ILE A 14 5.687 -3.278 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 14 3.977 -5.448 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 14 4.678 -3.454 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.074 -2.204 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.812 -2.091 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.320 -3.872 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.346 -5.323 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.158 -5.147 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.869 -2.259 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.434 -3.688 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.716 -3.803 0.451 1.00 0.00 H new ATOM 216 N GLN A 15 6.451 -5.437 -2.845 1.00 0.00 N ATOM 217 CA GLN A 15 7.172 -6.203 -3.836 1.00 0.00 C ATOM 218 C GLN A 15 7.709 -7.437 -3.137 1.00 0.00 C ATOM 219 O GLN A 15 7.382 -8.558 -3.512 1.00 0.00 O ATOM 220 CB GLN A 15 8.304 -5.395 -4.504 1.00 0.00 C ATOM 221 CG GLN A 15 7.959 -3.957 -4.919 1.00 0.00 C ATOM 222 CD GLN A 15 6.593 -3.825 -5.587 1.00 0.00 C ATOM 223 OE1 GLN A 15 6.301 -4.482 -6.579 1.00 0.00 O ATOM 224 NE2 GLN A 15 5.724 -2.987 -5.040 1.00 0.00 N ATOM 0 H GLN A 15 6.822 -4.498 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 15 6.500 -6.477 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.150 -5.360 -3.818 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.635 -5.937 -5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.986 -3.317 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.725 -3.591 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.985 -2.448 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.794 -2.881 -5.445 1.00 0.00 H new ATOM 233 N LYS A 16 8.477 -7.233 -2.070 1.00 0.00 N ATOM 234 CA LYS A 16 9.190 -8.324 -1.431 1.00 0.00 C ATOM 235 C LYS A 16 8.232 -9.261 -0.710 1.00 0.00 C ATOM 236 O LYS A 16 8.516 -10.455 -0.660 1.00 0.00 O ATOM 237 CB LYS A 16 10.200 -7.751 -0.426 1.00 0.00 C ATOM 238 CG LYS A 16 11.222 -6.759 -1.015 1.00 0.00 C ATOM 239 CD LYS A 16 11.573 -5.701 0.037 1.00 0.00 C ATOM 240 CE LYS A 16 12.600 -4.703 -0.499 1.00 0.00 C ATOM 241 NZ LYS A 16 12.978 -3.730 0.542 1.00 0.00 N ATOM 0 H LYS A 16 8.618 -6.322 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 16 9.709 -8.894 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.651 -7.251 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.743 -8.578 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.122 -7.290 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.810 -6.281 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.670 -5.170 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.968 -6.189 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.486 -5.236 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.188 -4.178 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.231 -2.825 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.177 -3.585 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.793 -4.093 1.076 1.00 0.00 H new ATOM 255 N CYS A 17 7.092 -8.769 -0.201 1.00 0.00 N ATOM 256 CA CYS A 17 6.038 -9.638 0.289 1.00 0.00 C ATOM 257 C CYS A 17 5.623 -10.562 -0.841 1.00 0.00 C ATOM 258 O CYS A 17 5.509 -11.764 -0.623 1.00 0.00 O ATOM 259 CB CYS A 17 4.831 -8.834 0.776 1.00 0.00 C ATOM 260 SG CYS A 17 3.370 -9.837 1.169 1.00 0.00 S ATOM 0 H CYS A 17 6.887 -7.773 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 17 6.412 -10.211 1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.119 -8.271 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.562 -8.106 0.010 1.00 0.00 H new ATOM 262 N LEU A 18 5.405 -10.011 -2.036 1.00 0.00 N ATOM 263 CA LEU A 18 5.013 -10.790 -3.189 1.00 0.00 C ATOM 264 C LEU A 18 6.073 -11.849 -3.495 1.00 0.00 C ATOM 265 O LEU A 18 5.705 -13.006 -3.693 1.00 0.00 O ATOM 266 CB LEU A 18 4.703 -9.862 -4.387 1.00 0.00 C ATOM 267 CG LEU A 18 3.209 -9.897 -4.749 1.00 0.00 C ATOM 268 CD1 LEU A 18 2.450 -8.786 -4.015 1.00 0.00 C ATOM 269 CD2 LEU A 18 2.995 -9.687 -6.255 1.00 0.00 C ATOM 0 H LEU A 18 5.498 -9.012 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 18 4.090 -11.329 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.997 -8.841 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.296 -10.168 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 18 2.835 -10.877 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.395 -8.827 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.556 -8.923 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.859 -7.817 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.929 -9.717 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.400 -8.719 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.504 -10.476 -6.808 1.00 0.00 H new ATOM 281 N GLN A 19 7.366 -11.502 -3.494 1.00 0.00 N ATOM 282 CA GLN A 19 8.449 -12.474 -3.655 1.00 0.00 C ATOM 283 C GLN A 19 8.397 -13.549 -2.568 1.00 0.00 C ATOM 284 O GLN A 19 8.446 -14.734 -2.889 1.00 0.00 O ATOM 285 CB GLN A 19 9.828 -11.796 -3.765 1.00 0.00 C ATOM 286 CG GLN A 19 10.105 -11.111 -5.121 1.00 0.00 C ATOM 287 CD GLN A 19 9.464 -9.729 -5.261 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.020 -8.747 -4.784 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.286 -9.604 -5.873 1.00 0.00 N ATOM 0 H GLN A 19 7.688 -10.541 -3.382 1.00 0.00 H new ATOM 0 HA GLN A 19 8.295 -12.983 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.916 -11.052 -2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.601 -12.544 -3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.183 -11.016 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.739 -11.753 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.827 -10.425 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.844 -8.688 -5.946 1.00 0.00 H new ATOM 298 N ALA A 20 8.208 -13.154 -1.308 1.00 0.00 N ATOM 299 CA ALA A 20 8.051 -14.071 -0.187 1.00 0.00 C ATOM 300 C ALA A 20 6.779 -14.930 -0.277 1.00 0.00 C ATOM 301 O ALA A 20 6.675 -15.912 0.456 1.00 0.00 O ATOM 302 CB ALA A 20 8.077 -13.269 1.121 1.00 0.00 C ATOM 0 H ALA A 20 8.160 -12.172 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 20 8.883 -14.774 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.960 -13.947 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.028 -12.743 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.261 -12.546 1.121 1.00 0.00 H new ATOM 308 N ASN A 21 5.819 -14.595 -1.155 1.00 0.00 N ATOM 309 CA ASN A 21 4.513 -15.239 -1.230 1.00 0.00 C ATOM 310 C ASN A 21 4.223 -15.800 -2.624 1.00 0.00 C ATOM 311 O ASN A 21 3.098 -16.228 -2.865 1.00 0.00 O ATOM 312 CB ASN A 21 3.434 -14.263 -0.745 1.00 0.00 C ATOM 313 CG ASN A 21 3.464 -14.157 0.776 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.891 -14.980 1.476 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.151 -13.162 1.313 1.00 0.00 N ATOM 0 H ASN A 21 5.940 -13.852 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 21 4.510 -16.105 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.596 -13.281 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.452 -14.603 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.209 -13.072 2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.622 -12.485 0.713 1.00 0.00 H new ATOM 322 N SER A 22 5.203 -15.829 -3.544 1.00 0.00 N ATOM 323 CA SER A 22 5.030 -16.358 -4.901 1.00 0.00 C ATOM 324 C SER A 22 3.914 -15.617 -5.635 1.00 0.00 C ATOM 325 O SER A 22 3.100 -16.195 -6.351 1.00 0.00 O ATOM 326 CB SER A 22 4.804 -17.869 -4.889 1.00 0.00 C ATOM 327 OG SER A 22 5.814 -18.508 -4.133 1.00 0.00 O ATOM 0 H SER A 22 6.145 -15.482 -3.361 1.00 0.00 H new ATOM 0 HA SER A 22 5.955 -16.184 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.825 -18.094 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.806 -18.252 -5.909 1.00 0.00 H new ATOM 0 HG SER A 22 5.658 -19.476 -4.131 1.00 0.00 H new ATOM 333 N TYR A 23 3.902 -14.304 -5.420 1.00 0.00 N ATOM 334 CA TYR A 23 3.137 -13.299 -6.121 1.00 0.00 C ATOM 335 C TYR A 23 1.645 -13.311 -5.809 1.00 0.00 C ATOM 336 O TYR A 23 0.849 -12.628 -6.455 1.00 0.00 O ATOM 337 CB TYR A 23 3.553 -13.310 -7.595 1.00 0.00 C ATOM 338 CG TYR A 23 5.067 -13.317 -7.782 1.00 0.00 C ATOM 339 CD1 TYR A 23 5.875 -12.588 -6.894 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.686 -14.152 -8.730 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.260 -12.629 -6.958 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.091 -14.236 -8.787 1.00 0.00 C ATOM 343 CZ TYR A 23 7.891 -13.458 -7.910 1.00 0.00 C ATOM 344 OH TYR A 23 9.251 -13.534 -7.940 1.00 0.00 O ATOM 0 H TYR A 23 4.479 -13.890 -4.687 1.00 0.00 H new ATOM 0 HA TYR A 23 3.385 -12.308 -5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.127 -14.188 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.134 -12.435 -8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.404 -11.977 -6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.083 -14.730 -9.415 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.852 -12.030 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.562 -14.895 -9.501 1.00 0.00 H new ATOM 0 HH TYR A 23 9.529 -14.148 -8.652 1.00 0.00 H new ATOM 354 N MET A 24 1.290 -14.019 -4.738 1.00 0.00 N ATOM 355 CA MET A 24 -0.020 -14.013 -4.135 1.00 0.00 C ATOM 356 C MET A 24 -0.290 -12.666 -3.465 1.00 0.00 C ATOM 357 O MET A 24 -0.112 -12.496 -2.259 1.00 0.00 O ATOM 358 CB MET A 24 -0.166 -15.196 -3.169 1.00 0.00 C ATOM 359 CG MET A 24 0.007 -16.527 -3.908 1.00 0.00 C ATOM 360 SD MET A 24 -0.593 -17.974 -2.992 1.00 0.00 S ATOM 361 CE MET A 24 0.833 -18.272 -1.913 1.00 0.00 C ATOM 0 H MET A 24 1.943 -14.635 -4.254 1.00 0.00 H new ATOM 0 HA MET A 24 -0.778 -14.139 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.577 -15.117 -2.375 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.146 -15.164 -2.693 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.519 -16.471 -4.861 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.064 -16.668 -4.135 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.565 -19.001 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.663 -18.656 -2.505 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.129 -17.338 -1.436 1.00 0.00 H new ATOM 371 N GLU A 25 -0.791 -11.711 -4.252 1.00 0.00 N ATOM 372 CA GLU A 25 -1.319 -10.442 -3.773 1.00 0.00 C ATOM 373 C GLU A 25 -2.410 -10.656 -2.706 1.00 0.00 C ATOM 374 O GLU A 25 -2.626 -9.785 -1.867 1.00 0.00 O ATOM 375 CB GLU A 25 -1.856 -9.668 -4.991 1.00 0.00 C ATOM 376 CG GLU A 25 -1.965 -8.172 -4.701 1.00 0.00 C ATOM 377 CD GLU A 25 -2.581 -7.375 -5.855 1.00 0.00 C ATOM 378 OE1 GLU A 25 -2.061 -7.504 -6.984 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.556 -6.635 -5.584 1.00 0.00 O ATOM 0 H GLU A 25 -0.840 -11.807 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.531 -9.865 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.196 -9.827 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.835 -10.058 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.568 -8.026 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.972 -7.777 -4.485 1.00 0.00 H new ATOM 386 N SER A 26 -3.053 -11.831 -2.693 1.00 0.00 N ATOM 387 CA SER A 26 -3.964 -12.322 -1.666 1.00 0.00 C ATOM 388 C SER A 26 -3.310 -12.387 -0.278 1.00 0.00 C ATOM 389 O SER A 26 -3.941 -12.038 0.715 1.00 0.00 O ATOM 390 CB SER A 26 -4.437 -13.724 -2.073 1.00 0.00 C ATOM 391 OG SER A 26 -4.717 -13.780 -3.461 1.00 0.00 O ATOM 0 H SER A 26 -2.939 -12.503 -3.452 1.00 0.00 H new ATOM 0 HA SER A 26 -4.799 -11.626 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.671 -14.458 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.330 -13.990 -1.507 1.00 0.00 H new ATOM 0 HG SER A 26 -5.015 -14.683 -3.698 1.00 0.00 H new ATOM 397 N LYS A 27 -2.046 -12.824 -0.200 1.00 0.00 N ATOM 398 CA LYS A 27 -1.257 -12.830 1.025 1.00 0.00 C ATOM 399 C LYS A 27 -0.865 -11.394 1.357 1.00 0.00 C ATOM 400 O LYS A 27 -1.040 -10.920 2.481 1.00 0.00 O ATOM 401 CB LYS A 27 0.006 -13.689 0.848 1.00 0.00 C ATOM 402 CG LYS A 27 -0.245 -15.170 0.515 1.00 0.00 C ATOM 403 CD LYS A 27 -0.380 -16.039 1.770 1.00 0.00 C ATOM 404 CE LYS A 27 -0.565 -17.523 1.431 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.803 -17.782 0.671 1.00 0.00 N ATOM 0 H LYS A 27 -1.539 -13.189 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.847 -13.256 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.613 -13.253 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.593 -13.635 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.153 -15.256 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.575 -15.546 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.508 -15.918 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.230 -15.694 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.291 -17.869 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.581 -18.103 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.941 -18.808 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.614 -17.372 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.729 -17.349 -0.272 1.00 0.00 H new ATOM 419 N CYS A 28 -0.364 -10.680 0.346 1.00 0.00 N ATOM 420 CA CYS A 28 0.133 -9.322 0.452 1.00 0.00 C ATOM 421 C CYS A 28 -0.970 -8.287 0.691 1.00 0.00 C ATOM 422 O CYS A 28 -0.659 -7.111 0.845 1.00 0.00 O ATOM 423 CB CYS A 28 1.049 -9.089 -0.742 1.00 0.00 C ATOM 424 SG CYS A 28 2.456 -10.234 -0.631 1.00 0.00 S ATOM 0 H CYS A 28 -0.294 -11.053 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 28 0.727 -9.183 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.504 -9.249 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.401 -8.058 -0.752 1.00 0.00 H new ATOM 426 N GLN A 29 -2.233 -8.700 0.846 1.00 0.00 N ATOM 427 CA GLN A 29 -3.289 -7.819 1.344 1.00 0.00 C ATOM 428 C GLN A 29 -2.887 -7.172 2.674 1.00 0.00 C ATOM 429 O GLN A 29 -3.271 -6.028 2.911 1.00 0.00 O ATOM 430 CB GLN A 29 -4.618 -8.567 1.536 1.00 0.00 C ATOM 431 CG GLN A 29 -5.250 -9.046 0.229 1.00 0.00 C ATOM 432 CD GLN A 29 -5.465 -7.918 -0.773 1.00 0.00 C ATOM 433 OE1 GLN A 29 -6.279 -7.023 -0.563 1.00 0.00 O ATOM 434 NE2 GLN A 29 -4.744 -7.953 -1.884 1.00 0.00 N ATOM 0 H GLN A 29 -2.548 -9.646 0.631 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.428 -7.046 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.450 -9.427 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.322 -7.913 2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.612 -9.807 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.207 -9.520 0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.074 -8.708 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.858 -7.225 -2.589 1.00 0.00 H new ATOM 443 N ALA A 30 -2.091 -7.867 3.505 1.00 0.00 N ATOM 444 CA ALA A 30 -1.533 -7.356 4.753 1.00 0.00 C ATOM 445 C ALA A 30 -0.658 -6.127 4.530 1.00 0.00 C ATOM 446 O ALA A 30 -0.780 -5.119 5.223 1.00 0.00 O ATOM 447 CB ALA A 30 -0.666 -8.443 5.401 1.00 0.00 C ATOM 0 H ALA A 30 -1.814 -8.830 3.313 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.370 -7.076 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.247 -8.066 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.278 -9.321 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.143 -8.715 4.723 1.00 0.00 H new ATOM 453 N VAL A 31 0.275 -6.229 3.588 1.00 0.00 N ATOM 454 CA VAL A 31 1.261 -5.207 3.333 1.00 0.00 C ATOM 455 C VAL A 31 0.649 -4.097 2.471 1.00 0.00 C ATOM 456 O VAL A 31 0.992 -2.930 2.649 1.00 0.00 O ATOM 457 CB VAL A 31 2.503 -5.902 2.764 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.277 -6.461 1.366 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.757 -5.051 2.803 1.00 0.00 C ATOM 0 H VAL A 31 0.361 -7.040 2.976 1.00 0.00 H new ATOM 0 HA VAL A 31 1.585 -4.686 4.234 1.00 0.00 H new ATOM 0 HB VAL A 31 2.673 -6.741 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.190 -6.941 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.469 -7.192 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.010 -5.650 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.591 -5.613 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.600 -4.144 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.983 -4.783 3.835 1.00 0.00 H new ATOM 469 N ILE A 32 -0.328 -4.422 1.608 1.00 0.00 N ATOM 470 CA ILE A 32 -1.129 -3.438 0.910 1.00 0.00 C ATOM 471 C ILE A 32 -1.908 -2.656 1.973 1.00 0.00 C ATOM 472 O ILE A 32 -1.918 -1.432 1.910 1.00 0.00 O ATOM 473 CB ILE A 32 -2.000 -4.113 -0.180 1.00 0.00 C ATOM 474 CG1 ILE A 32 -1.115 -4.781 -1.259 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.945 -3.139 -0.908 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.878 -5.811 -2.089 1.00 0.00 C ATOM 0 H ILE A 32 -0.575 -5.386 1.383 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.520 -2.726 0.354 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.600 -4.847 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.713 -4.013 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.265 -5.265 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.522 -3.683 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.624 -2.683 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.359 -2.361 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.209 -6.248 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.258 -6.596 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.712 -5.325 -2.595 1.00 0.00 H new ATOM 488 N GLN A 33 -2.436 -3.322 3.012 1.00 0.00 N ATOM 489 CA GLN A 33 -3.014 -2.672 4.179 1.00 0.00 C ATOM 490 C GLN A 33 -2.052 -1.682 4.814 1.00 0.00 C ATOM 491 O GLN A 33 -2.485 -0.644 5.320 1.00 0.00 O ATOM 492 CB GLN A 33 -3.434 -3.713 5.230 1.00 0.00 C ATOM 493 CG GLN A 33 -4.889 -3.529 5.619 1.00 0.00 C ATOM 494 CD GLN A 33 -5.896 -3.697 4.473 1.00 0.00 C ATOM 495 OE1 GLN A 33 -6.979 -3.125 4.525 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.600 -4.464 3.426 1.00 0.00 N ATOM 0 H GLN A 33 -2.470 -4.340 3.057 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.891 -2.125 3.832 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.283 -4.717 4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.802 -3.620 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.132 -4.245 6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.012 -2.534 6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.699 -4.941 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.274 -4.575 2.668 1.00 0.00 H new ATOM 505 N GLU A 34 -0.751 -1.983 4.788 1.00 0.00 N ATOM 506 CA GLU A 34 0.199 -1.081 5.362 1.00 0.00 C ATOM 507 C GLU A 34 0.408 0.139 4.458 1.00 0.00 C ATOM 508 O GLU A 34 0.445 1.265 4.957 1.00 0.00 O ATOM 509 CB GLU A 34 1.503 -1.816 5.671 1.00 0.00 C ATOM 510 CG GLU A 34 2.340 -0.863 6.506 1.00 0.00 C ATOM 511 CD GLU A 34 3.659 -1.499 6.942 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.588 -1.509 6.103 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.715 -1.964 8.100 1.00 0.00 O ATOM 0 H GLU A 34 -0.356 -2.831 4.380 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.191 -0.703 6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.309 -2.741 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.023 -2.088 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.545 0.040 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.774 -0.559 7.387 1.00 0.00 H new ATOM 520 N LEU A 35 0.519 -0.047 3.135 1.00 0.00 N ATOM 521 CA LEU A 35 0.596 1.097 2.243 1.00 0.00 C ATOM 522 C LEU A 35 -0.701 1.900 2.298 1.00 0.00 C ATOM 523 O LEU A 35 -0.636 3.115 2.173 1.00 0.00 O ATOM 524 CB LEU A 35 0.956 0.729 0.794 1.00 0.00 C ATOM 525 CG LEU A 35 2.331 1.138 0.274 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.352 0.972 -1.248 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.641 2.613 0.537 1.00 0.00 C ATOM 0 H LEU A 35 0.556 -0.958 2.677 1.00 0.00 H new ATOM 0 HA LEU A 35 1.419 1.714 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.868 -0.353 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.206 1.173 0.140 1.00 0.00 H new ATOM 0 HG LEU A 35 3.061 0.512 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.330 1.261 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.155 -0.069 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.585 1.606 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.631 2.852 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.896 3.235 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.618 2.804 1.610 1.00 0.00 H new ATOM 539 N ARG A 36 -1.853 1.267 2.545 1.00 0.00 N ATOM 540 CA ARG A 36 -3.142 1.933 2.712 1.00 0.00 C ATOM 541 C ARG A 36 -3.050 2.886 3.890 1.00 0.00 C ATOM 542 O ARG A 36 -3.238 4.093 3.756 1.00 0.00 O ATOM 543 CB ARG A 36 -4.252 0.911 3.028 1.00 0.00 C ATOM 544 CG ARG A 36 -5.230 0.578 1.911 1.00 0.00 C ATOM 545 CD ARG A 36 -5.021 -0.847 1.384 1.00 0.00 C ATOM 546 NE ARG A 36 -5.997 -1.333 0.393 1.00 0.00 N ATOM 547 CZ ARG A 36 -7.157 -1.943 0.679 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.714 -1.808 1.880 1.00 0.00 N ATOM 549 NH2 ARG A 36 -7.763 -2.721 -0.216 1.00 0.00 N ATOM 0 H ARG A 36 -1.912 0.253 2.636 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.380 2.457 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.776 -0.016 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.824 1.285 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.251 0.685 2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.107 1.290 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.027 -0.904 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.030 -1.529 2.234 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.772 -1.194 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.259 -1.237 2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.596 -2.276 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.345 -2.861 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.645 -3.177 0.019 1.00 0.00 H new ATOM 563 N LYS A 37 -2.790 2.294 5.059 1.00 0.00 N ATOM 564 CA LYS A 37 -2.800 3.018 6.326 1.00 0.00 C ATOM 565 C LYS A 37 -1.693 4.071 6.354 1.00 0.00 C ATOM 566 O LYS A 37 -1.855 5.105 7.006 1.00 0.00 O ATOM 567 CB LYS A 37 -2.787 2.060 7.532 1.00 0.00 C ATOM 568 CG LYS A 37 -1.402 1.507 7.895 1.00 0.00 C ATOM 569 CD LYS A 37 -1.467 0.324 8.871 1.00 0.00 C ATOM 570 CE LYS A 37 -2.032 0.743 10.232 1.00 0.00 C ATOM 571 NZ LYS A 37 -2.063 -0.388 11.174 1.00 0.00 N ATOM 0 H LYS A 37 -2.568 1.303 5.150 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.740 3.563 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.193 2.582 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.454 1.224 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.892 1.192 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.803 2.303 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.088 -0.465 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.469 -0.093 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.425 1.547 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.040 1.138 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.451 -0.070 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.662 -1.145 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.098 -0.749 11.315 1.00 0.00 H new ATOM 585 N CYS A 38 -0.600 3.834 5.617 1.00 0.00 N ATOM 586 CA CYS A 38 0.410 4.828 5.348 1.00 0.00 C ATOM 587 C CYS A 38 -0.187 5.929 4.481 1.00 0.00 C ATOM 588 O CYS A 38 -0.135 7.089 4.851 1.00 0.00 O ATOM 589 CB CYS A 38 1.620 4.190 4.665 1.00 0.00 C ATOM 590 SG CYS A 38 2.992 5.358 4.465 1.00 0.00 S ATOM 0 H CYS A 38 -0.403 2.928 5.191 1.00 0.00 H new ATOM 0 HA CYS A 38 0.751 5.263 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.956 3.335 5.251 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.324 3.810 3.687 1.00 0.00 H new ATOM 592 N CYS A 39 -0.756 5.589 3.330 1.00 0.00 N ATOM 593 CA CYS A 39 -1.191 6.548 2.323 1.00 0.00 C ATOM 594 C CYS A 39 -2.237 7.512 2.852 1.00 0.00 C ATOM 595 O CYS A 39 -2.166 8.724 2.638 1.00 0.00 O ATOM 596 CB CYS A 39 -1.737 5.764 1.146 1.00 0.00 C ATOM 597 SG CYS A 39 -2.290 6.689 -0.299 1.00 0.00 S ATOM 0 H CYS A 39 -0.931 4.619 3.066 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.340 7.160 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.965 5.067 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.576 5.167 1.502 1.00 0.00 H new ATOM 599 N ALA A 40 -3.192 6.952 3.584 1.00 0.00 N ATOM 600 CA ALA A 40 -4.320 7.686 4.113 1.00 0.00 C ATOM 601 C ALA A 40 -3.926 8.680 5.212 1.00 0.00 C ATOM 602 O ALA A 40 -4.776 9.424 5.691 1.00 0.00 O ATOM 603 CB ALA A 40 -5.384 6.698 4.602 1.00 0.00 C ATOM 0 H ALA A 40 -3.199 5.961 3.827 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.732 8.293 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.236 7.249 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.712 6.075 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.962 6.066 5.383 1.00 0.00 H new ATOM 609 N GLN A 41 -2.651 8.699 5.614 1.00 0.00 N ATOM 610 CA GLN A 41 -2.141 9.452 6.727 1.00 0.00 C ATOM 611 C GLN A 41 -1.643 10.838 6.306 1.00 0.00 C ATOM 612 O GLN A 41 -1.233 11.618 7.164 1.00 0.00 O ATOM 613 CB GLN A 41 -1.002 8.613 7.307 1.00 0.00 C ATOM 614 CG GLN A 41 -0.905 8.632 8.810 1.00 0.00 C ATOM 615 CD GLN A 41 -2.097 7.987 9.526 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.629 8.547 10.473 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.545 6.806 9.111 1.00 0.00 N ATOM 0 H GLN A 41 -1.926 8.160 5.140 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.925 9.636 7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.126 7.581 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.059 8.969 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.007 8.116 9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.811 9.665 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.099 6.341 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.334 6.365 9.583 1.00 0.00 H new ATOM 626 N TYR A 42 -1.644 11.136 4.998 1.00 0.00 N ATOM 627 CA TYR A 42 -0.984 12.290 4.428 1.00 0.00 C ATOM 628 C TYR A 42 -1.824 12.958 3.339 1.00 0.00 C ATOM 629 O TYR A 42 -2.697 12.310 2.756 1.00 0.00 O ATOM 630 CB TYR A 42 0.350 11.853 3.805 1.00 0.00 C ATOM 631 CG TYR A 42 1.324 11.188 4.752 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.218 9.809 4.972 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.327 11.925 5.409 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.148 9.136 5.780 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.239 11.270 6.253 1.00 0.00 C ATOM 636 CZ TYR A 42 3.156 9.871 6.443 1.00 0.00 C ATOM 637 OH TYR A 42 4.030 9.246 7.281 1.00 0.00 O ATOM 0 H TYR A 42 -2.118 10.560 4.303 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.831 13.008 5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.140 11.166 2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.833 12.729 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.411 9.256 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.395 12.993 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.093 8.063 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.007 11.837 6.759 1.00 0.00 H new ATOM 0 HH TYR A 42 4.656 9.903 7.650 1.00 0.00 H new ATOM 647 N PRO A 43 -1.535 14.225 2.992 1.00 0.00 N ATOM 648 CA PRO A 43 -2.056 14.833 1.776 1.00 0.00 C ATOM 649 C PRO A 43 -1.334 14.112 0.627 1.00 0.00 C ATOM 650 O PRO A 43 -0.184 14.424 0.337 1.00 0.00 O ATOM 651 CB PRO A 43 -1.726 16.326 1.888 1.00 0.00 C ATOM 652 CG PRO A 43 -0.494 16.367 2.796 1.00 0.00 C ATOM 653 CD PRO A 43 -0.682 15.162 3.718 1.00 0.00 C ATOM 0 HA PRO A 43 -3.130 14.743 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.517 16.763 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.556 16.887 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.429 16.291 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.443 17.298 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.277 14.706 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.144 15.460 4.659 1.00 0.00 H new ATOM 661 N LYS A 44 -1.994 13.125 0.010 1.00 0.00 N ATOM 662 CA LYS A 44 -1.444 12.106 -0.895 1.00 0.00 C ATOM 663 C LYS A 44 -0.366 12.541 -1.895 1.00 0.00 C ATOM 664 O LYS A 44 0.531 11.742 -2.157 1.00 0.00 O ATOM 665 CB LYS A 44 -2.582 11.354 -1.612 1.00 0.00 C ATOM 666 CG LYS A 44 -3.496 10.579 -0.647 1.00 0.00 C ATOM 667 CD LYS A 44 -4.774 11.338 -0.251 1.00 0.00 C ATOM 668 CE LYS A 44 -5.576 10.591 0.820 1.00 0.00 C ATOM 669 NZ LYS A 44 -4.838 10.492 2.093 1.00 0.00 N ATOM 0 H LYS A 44 -2.999 13.008 0.139 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.894 11.449 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.182 12.068 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.152 10.659 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.776 9.633 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.934 10.339 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.508 12.328 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.397 11.485 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.522 11.105 0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.816 9.590 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.501 10.266 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.121 9.742 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.371 11.399 2.295 1.00 0.00 H new ATOM 683 N GLY A 45 -0.362 13.790 -2.382 1.00 0.00 N ATOM 684 CA GLY A 45 0.744 14.346 -3.170 1.00 0.00 C ATOM 685 C GLY A 45 2.117 14.257 -2.477 1.00 0.00 C ATOM 686 O GLY A 45 3.143 14.317 -3.147 1.00 0.00 O ATOM 0 H GLY A 45 -1.131 14.445 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.796 13.821 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.528 15.391 -3.392 1.00 0.00 H new ATOM 690 N ARG A 46 2.144 14.061 -1.151 1.00 0.00 N ATOM 691 CA ARG A 46 3.290 13.727 -0.319 1.00 0.00 C ATOM 692 C ARG A 46 4.001 12.454 -0.801 1.00 0.00 C ATOM 693 O ARG A 46 5.177 12.249 -0.491 1.00 0.00 O ATOM 694 CB ARG A 46 2.699 13.540 1.093 1.00 0.00 C ATOM 695 CG ARG A 46 3.669 13.176 2.218 1.00 0.00 C ATOM 696 CD ARG A 46 4.254 14.383 2.962 1.00 0.00 C ATOM 697 NE ARG A 46 5.013 15.291 2.081 1.00 0.00 N ATOM 698 CZ ARG A 46 6.161 15.005 1.443 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.795 13.860 1.678 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.666 15.857 0.553 1.00 0.00 N ATOM 0 H ARG A 46 1.292 14.140 -0.596 1.00 0.00 H new ATOM 0 HA ARG A 46 4.053 14.504 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.192 14.464 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.938 12.762 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.153 12.538 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.488 12.590 1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.444 14.938 3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.907 14.029 3.760 1.00 0.00 H new ATOM 0 HE ARG A 46 4.630 16.226 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.411 13.192 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.666 13.650 1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.181 16.732 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.538 15.635 0.072 1.00 0.00 H new ATOM 714 N SER A 47 3.309 11.562 -1.518 1.00 0.00 N ATOM 715 CA SER A 47 3.844 10.272 -1.872 1.00 0.00 C ATOM 716 C SER A 47 3.392 9.813 -3.247 1.00 0.00 C ATOM 717 O SER A 47 2.210 9.778 -3.596 1.00 0.00 O ATOM 718 CB SER A 47 3.530 9.290 -0.753 1.00 0.00 C ATOM 719 OG SER A 47 3.640 7.945 -1.159 1.00 0.00 O ATOM 0 H SER A 47 2.363 11.728 -1.862 1.00 0.00 H new ATOM 0 HA SER A 47 4.928 10.337 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.207 9.469 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.519 9.473 -0.388 1.00 0.00 H new ATOM 0 HG SER A 47 4.496 7.580 -0.853 1.00 0.00 H new ATOM 725 N VAL A 48 4.397 9.405 -4.013 1.00 0.00 N ATOM 726 CA VAL A 48 4.263 8.852 -5.340 1.00 0.00 C ATOM 727 C VAL A 48 3.621 7.473 -5.233 1.00 0.00 C ATOM 728 O VAL A 48 2.640 7.197 -5.917 1.00 0.00 O ATOM 729 CB VAL A 48 5.624 8.796 -6.063 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.392 8.439 -7.537 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.387 10.128 -5.973 1.00 0.00 C ATOM 0 H VAL A 48 5.368 9.456 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 48 3.622 9.497 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 48 6.233 8.037 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.349 8.397 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.901 7.468 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.761 9.198 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.339 10.038 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.794 10.919 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.570 10.372 -4.927 1.00 0.00 H new ATOM 741 N VAL A 49 4.146 6.611 -4.355 1.00 0.00 N ATOM 742 CA VAL A 49 3.625 5.262 -4.208 1.00 0.00 C ATOM 743 C VAL A 49 2.167 5.302 -3.731 1.00 0.00 C ATOM 744 O VAL A 49 1.348 4.585 -4.293 1.00 0.00 O ATOM 745 CB VAL A 49 4.534 4.406 -3.312 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.000 4.424 -3.764 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.536 4.877 -1.863 1.00 0.00 C ATOM 0 H VAL A 49 4.930 6.830 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 49 3.625 4.774 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 49 4.116 3.403 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.595 3.803 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.072 4.035 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.376 5.447 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.194 4.238 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.892 5.906 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.524 4.824 -1.462 1.00 0.00 H new ATOM 757 N CYS A 50 1.823 6.179 -2.775 1.00 0.00 N ATOM 758 CA CYS A 50 0.471 6.400 -2.265 1.00 0.00 C ATOM 759 C CYS A 50 -0.427 6.968 -3.373 1.00 0.00 C ATOM 760 O CYS A 50 -1.602 6.611 -3.463 1.00 0.00 O ATOM 761 CB CYS A 50 0.571 7.418 -1.122 1.00 0.00 C ATOM 762 SG CYS A 50 -0.945 8.193 -0.515 1.00 0.00 S ATOM 0 H CYS A 50 2.513 6.777 -2.320 1.00 0.00 H new ATOM 0 HA CYS A 50 0.040 5.461 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.049 6.921 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.242 8.213 -1.446 1.00 0.00 H new ATOM 764 N SER A 51 0.130 7.810 -4.253 1.00 0.00 N ATOM 765 CA SER A 51 -0.567 8.274 -5.443 1.00 0.00 C ATOM 766 C SER A 51 -0.830 7.105 -6.403 1.00 0.00 C ATOM 767 O SER A 51 -1.847 7.111 -7.094 1.00 0.00 O ATOM 768 CB SER A 51 0.209 9.414 -6.113 1.00 0.00 C ATOM 769 OG SER A 51 0.376 10.500 -5.219 1.00 0.00 O ATOM 0 H SER A 51 1.074 8.183 -4.154 1.00 0.00 H new ATOM 0 HA SER A 51 -1.538 8.676 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.184 9.053 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.323 9.748 -7.004 1.00 0.00 H new ATOM 0 HG SER A 51 1.251 10.433 -4.783 1.00 0.00 H new ATOM 775 N GLY A 52 0.024 6.066 -6.399 1.00 0.00 N ATOM 776 CA GLY A 52 -0.280 4.804 -7.081 1.00 0.00 C ATOM 777 C GLY A 52 -1.390 4.054 -6.382 1.00 0.00 C ATOM 778 O GLY A 52 -2.183 3.331 -6.979 1.00 0.00 O ATOM 0 H GLY A 52 0.929 6.080 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.569 5.006 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.615 4.183 -7.116 1.00 0.00 H new ATOM 782 N PHE A 53 -1.404 4.219 -5.074 1.00 0.00 N ATOM 783 CA PHE A 53 -2.137 3.406 -4.166 1.00 0.00 C ATOM 784 C PHE A 53 -3.594 3.716 -4.034 1.00 0.00 C ATOM 785 O PHE A 53 -4.386 2.791 -3.998 1.00 0.00 O ATOM 786 CB PHE A 53 -1.466 3.551 -2.826 1.00 0.00 C ATOM 787 CG PHE A 53 -1.445 2.227 -2.212 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.636 1.255 -2.815 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.260 1.963 -1.119 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.582 -0.012 -2.245 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.183 0.703 -0.550 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.347 -0.272 -1.100 1.00 0.00 C ATOM 0 H PHE A 53 -0.877 4.959 -4.610 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.122 2.390 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.454 3.938 -2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.008 4.258 -2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.067 1.485 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.930 2.714 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.039 -0.783 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.773 0.472 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.289 -1.245 -0.634 1.00 0.00 H new ATOM 802 N GLU A 54 -3.962 4.984 -3.979 1.00 0.00 N ATOM 803 CA GLU A 54 -5.369 5.331 -4.048 1.00 0.00 C ATOM 804 C GLU A 54 -5.960 4.910 -5.407 1.00 0.00 C ATOM 805 O GLU A 54 -7.140 4.559 -5.468 1.00 0.00 O ATOM 806 CB GLU A 54 -5.568 6.801 -3.657 1.00 0.00 C ATOM 807 CG GLU A 54 -5.421 6.956 -2.127 1.00 0.00 C ATOM 808 CD GLU A 54 -6.723 6.721 -1.353 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.492 5.817 -1.750 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.932 7.466 -0.368 1.00 0.00 O ATOM 0 H GLU A 54 -3.323 5.774 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.946 4.767 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.835 7.426 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.554 7.142 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.666 6.255 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.054 7.958 -1.906 1.00 0.00 H new ATOM 817 N LYS A 55 -5.142 4.816 -6.473 1.00 0.00 N ATOM 818 CA LYS A 55 -5.581 4.194 -7.717 1.00 0.00 C ATOM 819 C LYS A 55 -5.662 2.668 -7.555 1.00 0.00 C ATOM 820 O LYS A 55 -6.627 2.057 -8.017 1.00 0.00 O ATOM 821 CB LYS A 55 -4.680 4.627 -8.887 1.00 0.00 C ATOM 822 CG LYS A 55 -5.286 4.362 -10.278 1.00 0.00 C ATOM 823 CD LYS A 55 -6.193 5.483 -10.816 1.00 0.00 C ATOM 824 CE LYS A 55 -7.483 5.664 -10.010 1.00 0.00 C ATOM 825 NZ LYS A 55 -8.393 6.635 -10.643 1.00 0.00 N ATOM 0 H LYS A 55 -4.183 5.163 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.587 4.538 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.466 5.692 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.727 4.103 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.474 4.200 -10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.862 3.437 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.638 6.421 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.449 5.266 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.988 4.703 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.238 5.999 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.337 6.558 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.026 7.598 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.460 6.435 -11.661 1.00 0.00 H new ATOM 839 N GLU A 56 -4.701 2.048 -6.859 1.00 0.00 N ATOM 840 CA GLU A 56 -4.769 0.628 -6.525 1.00 0.00 C ATOM 841 C GLU A 56 -6.022 0.334 -5.696 1.00 0.00 C ATOM 842 O GLU A 56 -6.671 -0.673 -5.932 1.00 0.00 O ATOM 843 CB GLU A 56 -3.506 0.125 -5.791 1.00 0.00 C ATOM 844 CG GLU A 56 -3.286 -1.371 -6.091 1.00 0.00 C ATOM 845 CD GLU A 56 -2.664 -2.125 -4.915 1.00 0.00 C ATOM 846 OE1 GLU A 56 -1.452 -1.937 -4.677 1.00 0.00 O ATOM 847 OE2 GLU A 56 -3.428 -2.890 -4.278 1.00 0.00 O ATOM 0 H GLU A 56 -3.862 2.516 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.824 0.084 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.637 0.700 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.614 0.278 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.241 -1.830 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.640 -1.471 -6.963 1.00 0.00 H new ATOM 854 N GLU A 57 -6.394 1.194 -4.749 1.00 0.00 N ATOM 855 CA GLU A 57 -7.570 1.048 -3.902 1.00 0.00 C ATOM 856 C GLU A 57 -8.840 1.091 -4.752 1.00 0.00 C ATOM 857 O GLU A 57 -9.730 0.267 -4.547 1.00 0.00 O ATOM 858 CB GLU A 57 -7.582 2.114 -2.796 1.00 0.00 C ATOM 859 CG GLU A 57 -6.568 1.783 -1.688 1.00 0.00 C ATOM 860 CD GLU A 57 -6.381 2.944 -0.713 1.00 0.00 C ATOM 861 OE1 GLU A 57 -7.232 3.074 0.193 1.00 0.00 O ATOM 862 OE2 GLU A 57 -5.371 3.668 -0.866 1.00 0.00 O ATOM 0 H GLU A 57 -5.864 2.041 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.533 0.077 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.349 3.089 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.582 2.185 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.904 0.902 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.608 1.531 -2.139 1.00 0.00 H new ATOM 869 N GLU A 58 -8.901 1.981 -5.753 1.00 0.00 N ATOM 870 CA GLU A 58 -9.968 1.967 -6.746 1.00 0.00 C ATOM 871 C GLU A 58 -10.000 0.618 -7.483 1.00 0.00 C ATOM 872 O GLU A 58 -11.070 0.037 -7.648 1.00 0.00 O ATOM 873 CB GLU A 58 -9.809 3.156 -7.706 1.00 0.00 C ATOM 874 CG GLU A 58 -11.050 3.357 -8.587 1.00 0.00 C ATOM 875 CD GLU A 58 -10.837 4.507 -9.570 1.00 0.00 C ATOM 876 OE1 GLU A 58 -10.922 5.673 -9.123 1.00 0.00 O ATOM 877 OE2 GLU A 58 -10.569 4.207 -10.755 1.00 0.00 O ATOM 0 H GLU A 58 -8.215 2.723 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.930 2.078 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.622 4.063 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.937 2.995 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.265 2.440 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.917 3.565 -7.960 1.00 0.00 H new ATOM 884 N GLU A 59 -8.837 0.084 -7.879 1.00 0.00 N ATOM 885 CA GLU A 59 -8.731 -1.254 -8.453 1.00 0.00 C ATOM 886 C GLU A 59 -9.198 -2.339 -7.472 1.00 0.00 C ATOM 887 O GLU A 59 -9.891 -3.273 -7.879 1.00 0.00 O ATOM 888 CB GLU A 59 -7.314 -1.497 -8.999 1.00 0.00 C ATOM 889 CG GLU A 59 -7.156 -2.857 -9.689 1.00 0.00 C ATOM 890 CD GLU A 59 -5.734 -3.031 -10.221 1.00 0.00 C ATOM 891 OE1 GLU A 59 -4.825 -3.185 -9.375 1.00 0.00 O ATOM 892 OE2 GLU A 59 -5.573 -2.994 -11.461 1.00 0.00 O ATOM 0 H GLU A 59 -7.944 0.573 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.413 -1.319 -9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.064 -0.707 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.599 -1.428 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.387 -3.657 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.869 -2.939 -10.509 1.00 0.00 H new ATOM 899 N ASN A 60 -8.871 -2.209 -6.185 1.00 0.00 N ATOM 900 CA ASN A 60 -9.212 -3.168 -5.143 1.00 0.00 C ATOM 901 C ASN A 60 -10.725 -3.262 -4.954 1.00 0.00 C ATOM 902 O ASN A 60 -11.212 -4.335 -4.604 1.00 0.00 O ATOM 903 CB ASN A 60 -8.555 -2.815 -3.799 1.00 0.00 C ATOM 904 CG ASN A 60 -7.090 -3.221 -3.656 1.00 0.00 C ATOM 905 OD1 ASN A 60 -6.684 -3.740 -2.617 1.00 0.00 O ATOM 906 ND2 ASN A 60 -6.255 -2.977 -4.652 1.00 0.00 N ATOM 0 H ASN A 60 -8.346 -1.408 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.828 -4.133 -5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.632 -1.738 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.125 -3.290 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.268 -3.219 -4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.598 -2.547 -5.511 1.00 0.00 H new ATOM 913 N LEU A 61 -11.477 -2.185 -5.214 1.00 0.00 N ATOM 914 CA LEU A 61 -12.941 -2.250 -5.265 1.00 0.00 C ATOM 915 C LEU A 61 -13.417 -3.317 -6.259 1.00 0.00 C ATOM 916 O LEU A 61 -14.433 -3.961 -6.014 1.00 0.00 O ATOM 917 CB LEU A 61 -13.582 -0.898 -5.631 1.00 0.00 C ATOM 918 CG LEU A 61 -13.271 0.277 -4.683 1.00 0.00 C ATOM 919 CD1 LEU A 61 -13.923 1.556 -5.223 1.00 0.00 C ATOM 920 CD2 LEU A 61 -13.757 0.017 -3.250 1.00 0.00 C ATOM 0 H LEU A 61 -11.094 -1.257 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.263 -2.518 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.257 -0.625 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.663 -1.030 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.187 0.389 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.703 2.387 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.528 1.775 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.002 1.416 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.514 0.874 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.836 -0.135 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.266 -0.873 -2.855 1.00 0.00 H new ATOM 932 N THR A 62 -12.686 -3.514 -7.364 1.00 0.00 N ATOM 933 CA THR A 62 -12.970 -4.517 -8.375 1.00 0.00 C ATOM 934 C THR A 62 -12.378 -5.876 -7.985 1.00 0.00 C ATOM 935 O THR A 62 -13.067 -6.893 -8.035 1.00 0.00 O ATOM 936 CB THR A 62 -12.490 -4.051 -9.768 1.00 0.00 C ATOM 937 OG1 THR A 62 -11.087 -4.043 -9.952 1.00 0.00 O ATOM 938 CG2 THR A 62 -13.002 -2.651 -10.115 1.00 0.00 C ATOM 0 H THR A 62 -11.858 -2.958 -7.577 1.00 0.00 H new ATOM 0 HA THR A 62 -14.051 -4.645 -8.435 1.00 0.00 H new ATOM 0 HB THR A 62 -12.912 -4.805 -10.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.677 -3.421 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.640 -2.365 -11.103 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.092 -2.652 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.639 -1.937 -9.375 1.00 0.00 H new ATOM 946 N ARG A 63 -11.096 -5.876 -7.598 1.00 0.00 N ATOM 947 CA ARG A 63 -10.286 -7.068 -7.347 1.00 0.00 C ATOM 948 C ARG A 63 -10.722 -7.814 -6.074 1.00 0.00 C ATOM 949 O ARG A 63 -10.609 -9.035 -6.019 1.00 0.00 O ATOM 950 CB ARG A 63 -8.811 -6.636 -7.281 1.00 0.00 C ATOM 951 CG ARG A 63 -7.806 -7.801 -7.392 1.00 0.00 C ATOM 952 CD ARG A 63 -6.654 -7.659 -6.389 1.00 0.00 C ATOM 953 NE ARG A 63 -7.174 -7.758 -5.018 1.00 0.00 N ATOM 954 CZ ARG A 63 -6.868 -6.971 -3.984 1.00 0.00 C ATOM 955 NH1 ARG A 63 -5.817 -6.153 -3.977 1.00 0.00 N ATOM 956 NH2 ARG A 63 -7.645 -7.020 -2.915 1.00 0.00 N ATOM 0 H ARG A 63 -10.578 -5.011 -7.446 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.428 -7.779 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.616 -5.925 -8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.639 -6.111 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.323 -8.745 -7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.404 -7.838 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.910 -8.437 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.153 -6.701 -6.530 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.840 -8.509 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.201 -6.107 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.628 -5.572 -3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.450 -7.646 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.439 -6.432 -2.108 1.00 0.00 H new ATOM 970 N LYS A 64 -11.265 -7.076 -5.096 1.00 0.00 N ATOM 971 CA LYS A 64 -11.884 -7.496 -3.841 1.00 0.00 C ATOM 972 C LYS A 64 -10.959 -8.274 -2.894 1.00 0.00 C ATOM 973 O LYS A 64 -9.833 -8.639 -3.231 1.00 0.00 O ATOM 974 CB LYS A 64 -13.215 -8.202 -4.142 1.00 0.00 C ATOM 975 CG LYS A 64 -14.271 -7.221 -4.677 1.00 0.00 C ATOM 976 CD LYS A 64 -15.486 -7.976 -5.235 1.00 0.00 C ATOM 977 CE LYS A 64 -16.561 -7.036 -5.787 1.00 0.00 C ATOM 978 NZ LYS A 64 -16.063 -6.216 -6.906 1.00 0.00 N ATOM 0 H LYS A 64 -11.280 -6.060 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.096 -6.598 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.050 -8.993 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.587 -8.679 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.589 -6.551 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.833 -6.600 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.158 -8.651 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.918 -8.594 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.417 -7.622 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.914 -6.383 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.868 -5.831 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.488 -5.433 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.481 -6.805 -7.535 1.00 0.00 H new ATOM 992 N SER A 65 -11.437 -8.440 -1.655 1.00 0.00 N ATOM 993 CA SER A 65 -10.829 -9.046 -0.473 1.00 0.00 C ATOM 994 C SER A 65 -11.743 -8.693 0.711 1.00 0.00 C ATOM 995 O SER A 65 -12.725 -7.962 0.535 1.00 0.00 O ATOM 996 CB SER A 65 -9.402 -8.526 -0.205 1.00 0.00 C ATOM 997 OG SER A 65 -9.424 -7.168 0.186 1.00 0.00 O ATOM 0 H SER A 65 -12.377 -8.110 -1.435 1.00 0.00 H new ATOM 0 HA SER A 65 -10.735 -10.122 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.933 -9.125 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.795 -8.640 -1.103 1.00 0.00 H new ATOM 0 HG SER A 65 -9.375 -6.598 -0.609 1.00 0.00 H new ATOM 1003 N ALA A 66 -11.375 -9.099 1.934 1.00 0.00 N ATOM 1004 CA ALA A 66 -12.014 -8.649 3.169 1.00 0.00 C ATOM 1005 C ALA A 66 -11.706 -7.191 3.553 1.00 0.00 C ATOM 1006 O ALA A 66 -12.068 -6.729 4.630 1.00 0.00 O ATOM 1007 CB ALA A 66 -11.688 -9.626 4.305 1.00 0.00 C ATOM 0 H ALA A 66 -10.613 -9.759 2.091 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.088 -8.652 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.166 -9.288 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.057 -10.619 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.609 -9.667 4.451 1.00 0.00 H new ATOM 1013 N SER A 67 -11.064 -6.471 2.639 1.00 0.00 N ATOM 1014 CA SER A 67 -10.801 -5.042 2.643 1.00 0.00 C ATOM 1015 C SER A 67 -10.967 -4.490 1.215 1.00 0.00 C ATOM 1016 O SER A 67 -10.200 -3.632 0.765 1.00 0.00 O ATOM 1017 CB SER A 67 -9.418 -4.785 3.259 1.00 0.00 C ATOM 1018 OG SER A 67 -9.271 -3.425 3.617 1.00 0.00 O ATOM 0 H SER A 67 -10.682 -6.915 1.804 1.00 0.00 H new ATOM 0 HA SER A 67 -11.519 -4.505 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.285 -5.414 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.641 -5.064 2.548 1.00 0.00 H new ATOM 0 HG SER A 67 -8.575 -3.340 4.301 1.00 0.00 H new ATOM 1024 N LYS A 68 -11.954 -5.025 0.476 1.00 0.00 N ATOM 1025 CA LYS A 68 -12.199 -4.781 -0.948 1.00 0.00 C ATOM 1026 C LYS A 68 -10.891 -4.694 -1.723 1.00 0.00 C ATOM 1027 O LYS A 68 -10.103 -5.641 -1.678 1.00 0.00 O ATOM 1028 CB LYS A 68 -13.041 -3.513 -1.158 1.00 0.00 C ATOM 1029 CG LYS A 68 -14.497 -3.626 -0.676 1.00 0.00 C ATOM 1030 CD LYS A 68 -15.326 -4.614 -1.515 1.00 0.00 C ATOM 1031 CE LYS A 68 -16.800 -4.629 -1.095 1.00 0.00 C ATOM 1032 NZ LYS A 68 -17.487 -3.367 -1.429 1.00 0.00 N ATOM 0 H LYS A 68 -12.633 -5.670 0.879 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.765 -5.629 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.562 -2.684 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.041 -3.264 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.506 -3.944 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.965 -2.642 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.252 -4.345 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.909 -5.616 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.308 -5.458 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.868 -4.805 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.511 -3.480 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.133 -2.606 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.302 -3.124 -2.423 1.00 0.00 H new TER 1046 LYS A 68