USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 643 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 93 CYS SG : rot -149:sc= 0.892 USER MOD Set 1.2: A 96 CYS SG : rot 138:sc= 0.536 USER MOD Set 1.3: A 100 LYS NZ :NH3+ -134:sc= 0.801 (180deg=-0.419) USER MOD Set 1.4: A 117 CYS SG : rot 68:sc= -0.0135 USER MOD Set 1.5: A 120 CYS SG : rot 10:sc= -5.43! USER MOD Set 2.1: A 106 SER OG : rot 133:sc= 0.12 USER MOD Set 2.2: A 109 GLN :FLIP amide:sc= -4.86! C(o=-8.3!,f=-6.2!) USER MOD Set 2.3: A 118 GLN :FLIP amide:sc= -1.46! C(o=-14!,f=-6.2!) USER MOD Set 3.1: A 42 CYS SG : rot 145:sc= 0.988 USER MOD Set 3.2: A 45 CYS SG : rot -54:sc= -0.511 USER MOD Set 3.3: A 80 CYS SG : rot -145:sc= 1.58 USER MOD Set 3.4: A 82 THR OG1 : rot -57:sc= -0.109! USER MOD Set 3.5: A 83 CYS SG : rot 96:sc= -2.08 USER MOD Single : A 41 MET CE :methyl 159:sc= -2.63! (180deg=-3.39!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.259 (180deg=-1.22) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0065 (180deg=-0.222) USER MOD Single : A 53 SER OG : rot 130:sc= -2.54 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 55 SER OG : rot 180:sc= -0.189 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.43 K(o=-1.4,f=-8.7!) USER MOD Single : A 60 SER OG : rot 63:sc= 1.13 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -101:sc= 0.742 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.609 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -29:sc= 0.0223 USER MOD Single : A 94 THR OG1 : rot -171:sc= -0.15 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.046 K(o=-0.046,f=-1.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0697 K(o=-0.07,f=-1.9!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 122 HIS : no HD1:sc= -1.37! C(o=-1.4!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 5.288 19.448 -11.556 1.00 0.00 N ATOM 88 CA ASP A 37 4.962 18.096 -11.994 1.00 0.00 C ATOM 89 C ASP A 37 5.759 17.732 -13.241 1.00 0.00 C ATOM 90 O ASP A 37 5.541 16.681 -13.845 1.00 0.00 O ATOM 91 CB ASP A 37 3.465 17.988 -12.294 1.00 0.00 C ATOM 92 CG ASP A 37 3.065 19.041 -13.324 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.955 19.642 -13.904 1.00 0.00 O ATOM 94 OD2 ASP A 37 1.876 19.231 -13.517 1.00 0.00 O1- ATOM 0 HA ASP A 37 5.222 17.403 -11.194 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.231 16.992 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.891 18.126 -11.378 1.00 0.00 H new ATOM 99 N ALA A 38 6.684 18.603 -13.612 1.00 0.00 N ATOM 100 CA ALA A 38 7.518 18.369 -14.788 1.00 0.00 C ATOM 101 C ALA A 38 8.375 17.127 -14.593 1.00 0.00 C ATOM 102 O ALA A 38 8.675 16.755 -13.464 1.00 0.00 O ATOM 103 CB ALA A 38 8.421 19.575 -15.046 1.00 0.00 C ATOM 0 H ALA A 38 6.878 19.476 -13.121 1.00 0.00 H new ATOM 0 HA ALA A 38 6.863 18.220 -15.647 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.037 19.387 -15.925 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.807 20.460 -15.216 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.064 19.740 -14.181 1.00 0.00 H new ATOM 109 N LEU A 39 8.770 16.493 -15.700 1.00 0.00 N ATOM 110 CA LEU A 39 9.599 15.289 -15.642 1.00 0.00 C ATOM 111 C LEU A 39 10.974 15.570 -16.223 1.00 0.00 C ATOM 112 O LEU A 39 11.096 16.144 -17.302 1.00 0.00 O ATOM 113 CB LEU A 39 8.934 14.166 -16.423 1.00 0.00 C ATOM 114 CG LEU A 39 7.630 13.748 -15.717 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.730 13.001 -16.707 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.940 12.833 -14.522 1.00 0.00 C ATOM 0 H LEU A 39 8.529 16.793 -16.645 1.00 0.00 H new ATOM 0 HA LEU A 39 9.709 14.989 -14.600 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.720 14.494 -17.440 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.608 13.313 -16.498 1.00 0.00 H new ATOM 0 HG LEU A 39 7.122 14.643 -15.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.807 12.705 -16.208 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.495 13.653 -17.548 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.247 12.113 -17.070 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.009 12.546 -14.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.457 11.940 -14.872 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.574 13.364 -13.812 1.00 0.00 H new ATOM 128 N ILE A 40 12.009 15.173 -15.492 1.00 0.00 N ATOM 129 CA ILE A 40 13.387 15.397 -15.937 1.00 0.00 C ATOM 130 C ILE A 40 13.975 14.129 -16.529 1.00 0.00 C ATOM 131 O ILE A 40 13.943 13.068 -15.910 1.00 0.00 O ATOM 132 CB ILE A 40 14.252 15.850 -14.757 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.598 17.076 -14.087 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.650 16.216 -15.256 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.593 16.630 -13.009 1.00 0.00 C ATOM 0 H ILE A 40 11.926 14.697 -14.594 1.00 0.00 H new ATOM 0 HA ILE A 40 13.374 16.172 -16.703 1.00 0.00 H new ATOM 0 HB ILE A 40 14.333 15.041 -14.031 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.366 17.705 -13.638 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.090 17.680 -14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.264 16.538 -14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 40 16.108 15.346 -15.727 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.577 17.025 -15.982 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.141 17.508 -12.547 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.814 16.020 -13.467 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.111 16.046 -12.248 1.00 0.00 H new ATOM 147 N MET A 41 14.510 14.249 -17.735 1.00 0.00 N ATOM 148 CA MET A 41 15.110 13.099 -18.418 1.00 0.00 C ATOM 149 C MET A 41 16.589 12.996 -18.067 1.00 0.00 C ATOM 150 O MET A 41 17.315 13.989 -18.110 1.00 0.00 O ATOM 151 CB MET A 41 14.951 13.251 -19.931 1.00 0.00 C ATOM 152 CG MET A 41 15.336 11.934 -20.610 1.00 0.00 C ATOM 153 SD MET A 41 15.065 12.076 -22.395 1.00 0.00 S ATOM 154 CE MET A 41 15.403 10.350 -22.814 1.00 0.00 C ATOM 0 H MET A 41 14.544 15.121 -18.262 1.00 0.00 H new ATOM 0 HA MET A 41 14.602 12.192 -18.092 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.922 13.514 -20.176 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.583 14.061 -20.296 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.381 11.699 -20.407 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.741 11.116 -20.205 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.948 10.113 -23.776 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.480 10.194 -22.874 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.985 9.700 -22.045 1.00 0.00 H new ATOM 164 N CYS A 42 17.025 11.793 -17.700 1.00 0.00 N ATOM 165 CA CYS A 42 18.417 11.576 -17.319 1.00 0.00 C ATOM 166 C CYS A 42 19.293 11.294 -18.537 1.00 0.00 C ATOM 167 O CYS A 42 18.977 10.473 -19.388 1.00 0.00 O ATOM 168 CB CYS A 42 18.508 10.406 -16.335 1.00 0.00 C ATOM 169 SG CYS A 42 20.071 10.504 -15.428 1.00 0.00 S ATOM 0 H CYS A 42 16.439 10.959 -17.659 1.00 0.00 H new ATOM 0 HA CYS A 42 18.782 12.487 -16.845 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.669 10.435 -15.640 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.445 9.459 -16.872 1.00 0.00 H new ATOM 0 HG CYS A 42 19.894 10.080 -14.212 1.00 0.00 H new ATOM 174 N MET A 43 20.392 12.010 -18.632 1.00 0.00 N ATOM 175 CA MET A 43 21.307 11.836 -19.757 1.00 0.00 C ATOM 176 C MET A 43 22.195 10.616 -19.541 1.00 0.00 C ATOM 177 O MET A 43 23.102 10.357 -20.329 1.00 0.00 O ATOM 178 CB MET A 43 22.185 13.087 -19.919 1.00 0.00 C ATOM 179 CG MET A 43 22.578 13.615 -18.534 1.00 0.00 C ATOM 180 SD MET A 43 23.846 14.892 -18.714 1.00 0.00 S ATOM 181 CE MET A 43 25.281 13.789 -18.730 1.00 0.00 C ATOM 0 H MET A 43 20.679 12.715 -17.953 1.00 0.00 H new ATOM 0 HA MET A 43 20.716 11.687 -20.661 1.00 0.00 H new ATOM 0 HB2 MET A 43 23.078 12.846 -20.496 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.645 13.855 -20.473 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.704 14.024 -18.027 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.953 12.800 -17.915 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.192 14.378 -18.835 1.00 0.00 H new ATOM 0 HE2 MET A 43 25.318 13.227 -17.797 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.198 13.096 -19.568 1.00 0.00 H new ATOM 191 N ARG A 44 21.928 9.872 -18.467 1.00 0.00 N ATOM 192 CA ARG A 44 22.705 8.675 -18.153 1.00 0.00 C ATOM 193 C ARG A 44 21.814 7.439 -18.169 1.00 0.00 C ATOM 194 O ARG A 44 21.665 6.787 -19.203 1.00 0.00 O ATOM 195 CB ARG A 44 23.369 8.832 -16.784 1.00 0.00 C ATOM 196 CG ARG A 44 24.268 7.623 -16.518 1.00 0.00 C ATOM 197 CD ARG A 44 25.195 7.922 -15.342 1.00 0.00 C ATOM 198 NE ARG A 44 25.997 6.749 -15.021 1.00 0.00 N ATOM 199 CZ ARG A 44 27.057 6.424 -15.750 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.390 7.154 -16.780 1.00 0.00 N ATOM 201 NH2 ARG A 44 27.762 5.371 -15.441 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.182 10.077 -17.802 1.00 0.00 H new ATOM 0 HA ARG A 44 23.478 8.550 -18.911 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.956 9.750 -16.755 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.610 8.914 -16.006 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.659 6.746 -16.300 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.855 7.391 -17.407 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.847 8.761 -15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.608 8.219 -14.473 1.00 0.00 H new ATOM 0 HE ARG A 44 25.740 6.168 -14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.835 7.974 -17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.205 6.904 -17.340 1.00 0.00 H new ATOM 0 HH21 ARG A 44 27.498 4.798 -14.639 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.577 5.121 -16.001 1.00 0.00 H new ATOM 215 N CYS A 45 21.225 7.123 -17.023 1.00 0.00 N ATOM 216 CA CYS A 45 20.353 5.964 -16.914 1.00 0.00 C ATOM 217 C CYS A 45 19.080 6.171 -17.721 1.00 0.00 C ATOM 218 O CYS A 45 18.369 5.217 -18.031 1.00 0.00 O ATOM 219 CB CYS A 45 20.000 5.713 -15.449 1.00 0.00 C ATOM 220 SG CYS A 45 18.852 6.991 -14.876 1.00 0.00 S ATOM 0 H CYS A 45 21.336 7.653 -16.158 1.00 0.00 H new ATOM 0 HA CYS A 45 20.881 5.098 -17.313 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.549 4.727 -15.336 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.904 5.721 -14.840 1.00 0.00 H new ATOM 0 HG CYS A 45 19.359 8.165 -15.107 1.00 0.00 H new ATOM 225 N ARG A 46 18.805 7.419 -18.069 1.00 0.00 N ATOM 226 CA ARG A 46 17.620 7.738 -18.850 1.00 0.00 C ATOM 227 C ARG A 46 16.347 7.470 -18.068 1.00 0.00 C ATOM 228 O ARG A 46 15.342 7.043 -18.629 1.00 0.00 O ATOM 229 CB ARG A 46 17.625 6.931 -20.156 1.00 0.00 C ATOM 230 CG ARG A 46 16.733 7.612 -21.201 1.00 0.00 C ATOM 231 CD ARG A 46 17.068 7.069 -22.586 1.00 0.00 C ATOM 232 NE ARG A 46 16.162 7.631 -23.578 1.00 0.00 N ATOM 233 CZ ARG A 46 16.352 7.426 -24.877 1.00 0.00 C ATOM 234 NH1 ARG A 46 17.366 6.712 -25.283 1.00 0.00 N ATOM 235 NH2 ARG A 46 15.526 7.940 -25.747 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.383 8.223 -17.825 1.00 0.00 H new ATOM 0 HA ARG A 46 17.644 8.803 -19.083 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.643 6.846 -20.536 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.269 5.918 -19.968 1.00 0.00 H new ATOM 0 HG2 ARG A 46 15.683 7.431 -20.972 1.00 0.00 H new ATOM 0 HG3 ARG A 46 16.883 8.691 -21.176 1.00 0.00 H new ATOM 0 HD2 ARG A 46 18.098 7.316 -22.842 1.00 0.00 H new ATOM 0 HD3 ARG A 46 16.991 5.982 -22.587 1.00 0.00 H new ATOM 0 HE ARG A 46 15.368 8.192 -23.270 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.012 6.311 -24.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.512 6.554 -26.280 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.734 8.499 -25.430 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.672 7.782 -26.744 1.00 0.00 H new ATOM 249 N LYS A 47 16.395 7.732 -16.769 1.00 0.00 N ATOM 250 CA LYS A 47 15.233 7.521 -15.914 1.00 0.00 C ATOM 251 C LYS A 47 14.399 8.790 -15.853 1.00 0.00 C ATOM 252 O LYS A 47 14.866 9.823 -15.378 1.00 0.00 O ATOM 253 CB LYS A 47 15.685 7.132 -14.508 1.00 0.00 C ATOM 254 CG LYS A 47 14.457 6.843 -13.641 1.00 0.00 C ATOM 255 CD LYS A 47 14.908 6.384 -12.243 1.00 0.00 C ATOM 256 CE LYS A 47 15.086 4.863 -12.232 1.00 0.00 C ATOM 257 NZ LYS A 47 13.772 4.211 -12.497 1.00 0.00 N1+ ATOM 0 H LYS A 47 17.220 8.089 -16.286 1.00 0.00 H new ATOM 0 HA LYS A 47 14.628 6.715 -16.330 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.328 6.253 -14.551 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.274 7.937 -14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.839 7.737 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.843 6.072 -14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.845 6.871 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.170 6.679 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.812 4.565 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.478 4.538 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.746 3.281 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.007 4.807 -12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.645 4.089 -13.522 1.00 0.00 H new ATOM 271 N VAL A 48 13.165 8.708 -16.341 1.00 0.00 N ATOM 272 CA VAL A 48 12.278 9.867 -16.344 1.00 0.00 C ATOM 273 C VAL A 48 11.444 9.900 -15.074 1.00 0.00 C ATOM 274 O VAL A 48 10.718 8.951 -14.781 1.00 0.00 O ATOM 275 CB VAL A 48 11.350 9.802 -17.558 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.510 11.077 -17.628 1.00 0.00 C ATOM 277 CG2 VAL A 48 12.185 9.668 -18.830 1.00 0.00 C ATOM 0 H VAL A 48 12.759 7.860 -16.736 1.00 0.00 H new ATOM 0 HA VAL A 48 12.885 10.771 -16.393 1.00 0.00 H new ATOM 0 HB VAL A 48 10.690 8.940 -17.465 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.849 11.030 -18.493 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.914 11.170 -16.720 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.168 11.941 -17.720 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.524 9.622 -19.696 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.846 10.530 -18.924 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.781 8.757 -18.779 1.00 0.00 H new ATOM 287 N LYS A 49 11.553 10.999 -14.330 1.00 0.00 N ATOM 288 CA LYS A 49 10.815 11.159 -13.077 1.00 0.00 C ATOM 289 C LYS A 49 10.548 12.628 -12.792 1.00 0.00 C ATOM 290 O LYS A 49 11.079 13.507 -13.463 1.00 0.00 O ATOM 291 CB LYS A 49 11.615 10.533 -11.924 1.00 0.00 C ATOM 292 CG LYS A 49 11.134 9.101 -11.639 1.00 0.00 C ATOM 293 CD LYS A 49 9.890 9.151 -10.749 1.00 0.00 C ATOM 294 CE LYS A 49 9.356 7.738 -10.547 1.00 0.00 C ATOM 295 NZ LYS A 49 10.308 6.967 -9.702 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.146 11.793 -14.573 1.00 0.00 H new ATOM 0 HA LYS A 49 9.855 10.651 -13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.676 10.522 -12.176 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.507 11.143 -11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.906 8.589 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.923 8.531 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.136 9.600 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.126 9.778 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.376 7.772 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.226 7.245 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.842 6.105 -9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.141 6.706 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.607 7.551 -8.895 1.00 0.00 H new ATOM 309 N GLY A 50 9.718 12.880 -11.785 1.00 0.00 N ATOM 310 CA GLY A 50 9.374 14.245 -11.405 1.00 0.00 C ATOM 311 C GLY A 50 10.342 14.785 -10.362 1.00 0.00 C ATOM 312 O GLY A 50 11.335 14.137 -10.025 1.00 0.00 O ATOM 0 H GLY A 50 9.272 12.158 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.390 14.886 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.358 14.271 -11.010 1.00 0.00 H new ATOM 316 N ILE A 51 10.053 15.986 -9.864 1.00 0.00 N ATOM 317 CA ILE A 51 10.914 16.603 -8.861 1.00 0.00 C ATOM 318 C ILE A 51 11.133 15.660 -7.676 1.00 0.00 C ATOM 319 O ILE A 51 11.940 15.939 -6.791 1.00 0.00 O ATOM 320 CB ILE A 51 10.281 17.908 -8.371 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.265 18.645 -7.457 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.002 17.594 -7.592 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.794 20.080 -7.254 1.00 0.00 C ATOM 0 H ILE A 51 9.242 16.543 -10.134 1.00 0.00 H new ATOM 0 HA ILE A 51 11.881 16.813 -9.318 1.00 0.00 H new ATOM 0 HB ILE A 51 10.041 18.537 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.337 18.135 -6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.262 18.637 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.551 18.523 -7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.300 17.071 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.243 16.964 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.494 20.604 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.745 20.587 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.805 20.077 -6.795 1.00 0.00 H new ATOM 335 N ASP A 52 10.409 14.549 -7.661 1.00 0.00 N ATOM 336 CA ASP A 52 10.532 13.579 -6.582 1.00 0.00 C ATOM 337 C ASP A 52 11.882 12.876 -6.639 1.00 0.00 C ATOM 338 O ASP A 52 12.556 12.699 -5.625 1.00 0.00 O ATOM 339 CB ASP A 52 9.408 12.546 -6.687 1.00 0.00 C ATOM 340 CG ASP A 52 8.071 13.200 -6.348 1.00 0.00 C ATOM 341 OD1 ASP A 52 8.087 14.248 -5.722 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 7.051 12.641 -6.715 1.00 0.00 O ATOM 0 H ASP A 52 9.732 14.298 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 52 10.456 14.107 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.375 12.132 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.600 11.716 -6.007 1.00 0.00 H new ATOM 347 N SER A 53 12.268 12.475 -7.845 1.00 0.00 N ATOM 348 CA SER A 53 13.551 11.782 -8.036 1.00 0.00 C ATOM 349 C SER A 53 14.657 12.781 -8.353 1.00 0.00 C ATOM 350 O SER A 53 15.796 12.395 -8.619 1.00 0.00 O ATOM 351 CB SER A 53 13.449 10.761 -9.158 1.00 0.00 C ATOM 352 OG SER A 53 13.688 11.411 -10.394 1.00 0.00 O ATOM 0 H SER A 53 11.725 12.612 -8.698 1.00 0.00 H new ATOM 0 HA SER A 53 13.794 11.264 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.174 9.961 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.461 10.300 -9.159 1.00 0.00 H new ATOM 0 HG SER A 53 14.360 10.910 -10.903 1.00 0.00 H new ATOM 358 N TYR A 54 14.319 14.067 -8.319 1.00 0.00 N ATOM 359 CA TYR A 54 15.290 15.130 -8.595 1.00 0.00 C ATOM 360 C TYR A 54 15.316 16.146 -7.459 1.00 0.00 C ATOM 361 O TYR A 54 14.275 16.535 -6.933 1.00 0.00 O ATOM 362 CB TYR A 54 14.927 15.833 -9.921 1.00 0.00 C ATOM 363 CG TYR A 54 15.691 15.208 -11.068 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.359 13.932 -11.522 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.749 15.900 -11.657 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.073 13.348 -12.570 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.465 15.321 -12.699 1.00 0.00 C ATOM 368 CZ TYR A 54 17.130 14.043 -13.161 1.00 0.00 C ATOM 369 OH TYR A 54 17.840 13.474 -14.196 1.00 0.00 O ATOM 0 H TYR A 54 13.380 14.402 -8.103 1.00 0.00 H new ATOM 0 HA TYR A 54 16.281 14.684 -8.679 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.855 15.754 -10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.161 16.895 -9.854 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.545 13.393 -11.060 1.00 0.00 H new ATOM 0 HD2 TYR A 54 17.012 16.886 -11.304 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.809 12.362 -12.922 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.283 15.860 -13.154 1.00 0.00 H new ATOM 0 HH TYR A 54 18.540 14.093 -14.492 1.00 0.00 H new ATOM 379 N SER A 55 16.520 16.578 -7.097 1.00 0.00 N ATOM 380 CA SER A 55 16.681 17.557 -6.038 1.00 0.00 C ATOM 381 C SER A 55 16.237 18.937 -6.514 1.00 0.00 C ATOM 382 O SER A 55 16.173 19.201 -7.716 1.00 0.00 O ATOM 383 CB SER A 55 18.142 17.614 -5.597 1.00 0.00 C ATOM 384 OG SER A 55 18.328 18.729 -4.733 1.00 0.00 O ATOM 0 H SER A 55 17.393 16.265 -7.522 1.00 0.00 H new ATOM 0 HA SER A 55 16.059 17.258 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.415 16.692 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.793 17.700 -6.467 1.00 0.00 H new ATOM 0 HG SER A 55 19.264 18.768 -4.446 1.00 0.00 H new ATOM 390 N LYS A 56 15.928 19.812 -5.564 1.00 0.00 N ATOM 391 CA LYS A 56 15.482 21.160 -5.897 1.00 0.00 C ATOM 392 C LYS A 56 16.561 21.901 -6.680 1.00 0.00 C ATOM 393 O LYS A 56 16.263 22.640 -7.618 1.00 0.00 O ATOM 394 CB LYS A 56 15.159 21.935 -4.616 1.00 0.00 C ATOM 395 CG LYS A 56 14.573 23.302 -4.977 1.00 0.00 C ATOM 396 CD LYS A 56 14.230 24.064 -3.695 1.00 0.00 C ATOM 397 CE LYS A 56 13.629 25.424 -4.057 1.00 0.00 C ATOM 398 NZ LYS A 56 13.301 26.171 -2.810 1.00 0.00 N1+ ATOM 0 H LYS A 56 15.977 19.615 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 56 14.586 21.085 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.450 21.373 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.062 22.061 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.288 23.871 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.679 23.177 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.523 23.490 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.126 24.200 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.334 25.996 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.730 25.288 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.893 27.095 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.614 25.627 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.167 26.313 -2.252 1.00 0.00 H new ATOM 412 N THR A 57 17.815 21.709 -6.281 1.00 0.00 N ATOM 413 CA THR A 57 18.925 22.376 -6.951 1.00 0.00 C ATOM 414 C THR A 57 19.018 21.938 -8.410 1.00 0.00 C ATOM 415 O THR A 57 19.091 22.771 -9.312 1.00 0.00 O ATOM 416 CB THR A 57 20.238 22.042 -6.235 1.00 0.00 C ATOM 417 OG1 THR A 57 20.082 22.256 -4.841 1.00 0.00 O ATOM 418 CG2 THR A 57 21.356 22.938 -6.771 1.00 0.00 C ATOM 0 H THR A 57 18.086 21.104 -5.506 1.00 0.00 H new ATOM 0 HA THR A 57 18.750 23.451 -6.918 1.00 0.00 H new ATOM 0 HB THR A 57 20.496 20.998 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.920 22.041 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.289 22.700 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.474 22.771 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.102 23.983 -6.593 1.00 0.00 H new ATOM 426 N GLN A 58 19.012 20.629 -8.634 1.00 0.00 N ATOM 427 CA GLN A 58 19.095 20.097 -9.989 1.00 0.00 C ATOM 428 C GLN A 58 17.835 20.439 -10.774 1.00 0.00 C ATOM 429 O GLN A 58 17.905 20.856 -11.926 1.00 0.00 O ATOM 430 CB GLN A 58 19.277 18.572 -9.937 1.00 0.00 C ATOM 431 CG GLN A 58 20.757 18.237 -9.736 1.00 0.00 C ATOM 432 CD GLN A 58 21.269 18.886 -8.455 1.00 0.00 C ATOM 433 OE1 GLN A 58 20.586 18.867 -7.432 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.434 19.472 -8.453 1.00 0.00 N ATOM 0 H GLN A 58 18.951 19.922 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 58 19.952 20.548 -10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.685 18.153 -9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.914 18.121 -10.860 1.00 0.00 H new ATOM 0 HG2 GLN A 58 20.890 17.156 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.337 18.589 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.999 19.487 -9.302 1.00 0.00 H new ATOM 0 HE22 GLN A 58 22.780 19.916 -7.602 1.00 0.00 H new ATOM 443 N TRP A 59 16.684 20.250 -10.148 1.00 0.00 N ATOM 444 CA TRP A 59 15.413 20.536 -10.801 1.00 0.00 C ATOM 445 C TRP A 59 15.307 22.020 -11.145 1.00 0.00 C ATOM 446 O TRP A 59 14.771 22.391 -12.186 1.00 0.00 O ATOM 447 CB TRP A 59 14.249 20.138 -9.888 1.00 0.00 C ATOM 448 CG TRP A 59 12.954 20.554 -10.516 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.354 19.914 -11.540 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.098 21.682 -10.181 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.176 20.571 -11.858 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.979 21.671 -11.048 1.00 0.00 C ATOM 453 CE3 TRP A 59 12.183 22.702 -9.219 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.981 22.642 -10.961 1.00 0.00 C ATOM 455 CZ3 TRP A 59 11.179 23.681 -9.129 1.00 0.00 C ATOM 456 CH2 TRP A 59 10.082 23.649 -9.999 1.00 0.00 C ATOM 0 H TRP A 59 16.602 19.901 -9.193 1.00 0.00 H new ATOM 0 HA TRP A 59 15.365 19.956 -11.722 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.255 19.061 -9.722 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.360 20.611 -8.912 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.731 19.031 -12.034 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.536 20.279 -12.597 1.00 0.00 H new ATOM 0 HE3 TRP A 59 13.026 22.734 -8.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.136 22.615 -11.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.254 24.461 -8.386 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.313 24.404 -9.926 1.00 0.00 H new ATOM 467 N SER A 60 15.816 22.863 -10.253 1.00 0.00 N ATOM 468 CA SER A 60 15.767 24.304 -10.462 1.00 0.00 C ATOM 469 C SER A 60 16.441 24.685 -11.775 1.00 0.00 C ATOM 470 O SER A 60 16.283 25.802 -12.266 1.00 0.00 O ATOM 471 CB SER A 60 16.456 25.027 -9.304 1.00 0.00 C ATOM 472 OG SER A 60 15.639 24.941 -8.146 1.00 0.00 O ATOM 0 H SER A 60 16.265 22.575 -9.383 1.00 0.00 H new ATOM 0 HA SER A 60 14.720 24.605 -10.506 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.431 24.580 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.630 26.071 -9.564 1.00 0.00 H new ATOM 0 HG SER A 60 15.541 24.002 -7.883 1.00 0.00 H new ATOM 478 N LYS A 61 17.197 23.749 -12.341 1.00 0.00 N ATOM 479 CA LYS A 61 17.896 23.999 -13.600 1.00 0.00 C ATOM 480 C LYS A 61 16.981 23.711 -14.787 1.00 0.00 C ATOM 481 O LYS A 61 17.298 24.049 -15.925 1.00 0.00 O ATOM 482 CB LYS A 61 19.135 23.110 -13.688 1.00 0.00 C ATOM 483 CG LYS A 61 20.077 23.437 -12.527 1.00 0.00 C ATOM 484 CD LYS A 61 21.296 22.513 -12.583 1.00 0.00 C ATOM 485 CE LYS A 61 22.217 22.817 -11.404 1.00 0.00 C ATOM 486 NZ LYS A 61 23.391 21.897 -11.438 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.342 22.817 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 61 18.193 25.047 -13.629 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.846 22.060 -13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.643 23.268 -14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.394 24.478 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.557 23.314 -11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.978 21.471 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.831 22.655 -13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.552 23.853 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.675 22.698 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.018 22.105 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.062 20.912 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.912 22.032 -12.328 1.00 0.00 H new ATOM 500 N THR A 62 15.844 23.080 -14.508 1.00 0.00 N ATOM 501 CA THR A 62 14.892 22.741 -15.565 1.00 0.00 C ATOM 502 C THR A 62 14.314 24.007 -16.189 1.00 0.00 C ATOM 503 O THR A 62 13.696 23.958 -17.249 1.00 0.00 O ATOM 504 CB THR A 62 13.752 21.893 -14.996 1.00 0.00 C ATOM 505 OG1 THR A 62 13.163 22.572 -13.897 1.00 0.00 O ATOM 506 CG2 THR A 62 14.301 20.543 -14.535 1.00 0.00 C ATOM 0 H THR A 62 15.560 22.795 -13.571 1.00 0.00 H new ATOM 0 HA THR A 62 15.420 22.173 -16.331 1.00 0.00 H new ATOM 0 HB THR A 62 12.998 21.730 -15.766 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.491 22.184 -13.059 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.489 19.939 -14.130 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.751 20.025 -15.382 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.055 20.701 -13.764 1.00 0.00 H new ATOM 514 N PHE A 63 14.531 25.138 -15.531 1.00 0.00 N ATOM 515 CA PHE A 63 14.039 26.421 -16.026 1.00 0.00 C ATOM 516 C PHE A 63 15.050 27.522 -15.742 1.00 0.00 C ATOM 517 O PHE A 63 15.831 27.428 -14.798 1.00 0.00 O ATOM 518 CB PHE A 63 12.707 26.759 -15.361 1.00 0.00 C ATOM 519 CG PHE A 63 12.880 26.770 -13.861 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.388 27.906 -13.221 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.530 25.642 -13.110 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.546 27.913 -11.830 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.689 25.648 -11.721 1.00 0.00 C ATOM 524 CZ PHE A 63 13.197 26.784 -11.079 1.00 0.00 C ATOM 0 H PHE A 63 15.045 25.195 -14.652 1.00 0.00 H new ATOM 0 HA PHE A 63 13.895 26.346 -17.104 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.354 27.732 -15.704 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.951 26.027 -15.645 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.658 28.777 -13.800 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.137 24.766 -13.604 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.937 28.790 -11.336 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.420 24.776 -11.143 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.319 26.789 -10.006 1.00 0.00 H new ATOM 534 N THR A 64 15.032 28.562 -16.570 1.00 0.00 N ATOM 535 CA THR A 64 15.956 29.688 -16.413 1.00 0.00 C ATOM 536 C THR A 64 15.186 30.986 -16.267 1.00 0.00 C ATOM 537 O THR A 64 13.983 31.040 -16.523 1.00 0.00 O ATOM 538 CB THR A 64 16.882 29.771 -17.629 1.00 0.00 C ATOM 539 OG1 THR A 64 16.113 29.662 -18.820 1.00 0.00 O ATOM 540 CG2 THR A 64 17.913 28.640 -17.572 1.00 0.00 C ATOM 0 H THR A 64 14.389 28.652 -17.357 1.00 0.00 H new ATOM 0 HA THR A 64 16.552 29.530 -15.514 1.00 0.00 H new ATOM 0 HB THR A 64 17.403 30.729 -17.622 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.706 29.717 -19.598 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.570 28.703 -18.439 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.505 28.732 -16.661 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.399 27.679 -17.575 1.00 0.00 H new ATOM 548 N PHE A 65 15.884 32.035 -15.845 1.00 0.00 N ATOM 549 CA PHE A 65 15.253 33.339 -15.664 1.00 0.00 C ATOM 550 C PHE A 65 15.597 34.259 -16.824 1.00 0.00 C ATOM 551 O PHE A 65 16.760 34.589 -17.040 1.00 0.00 O ATOM 552 CB PHE A 65 15.731 33.967 -14.337 1.00 0.00 C ATOM 553 CG PHE A 65 14.545 34.489 -13.554 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.526 33.608 -13.170 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.460 35.846 -13.226 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.423 34.085 -12.457 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.356 36.322 -12.514 1.00 0.00 C ATOM 558 CZ PHE A 65 12.339 35.443 -12.131 1.00 0.00 C ATOM 0 H PHE A 65 16.879 32.010 -15.623 1.00 0.00 H new ATOM 0 HA PHE A 65 14.172 33.206 -15.633 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.269 33.225 -13.747 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.429 34.779 -14.540 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.593 32.561 -13.425 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.246 36.525 -13.522 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.637 33.407 -12.158 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.288 37.369 -12.260 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.486 35.813 -11.582 1.00 0.00 H new ATOM 568 N VAL A 66 14.572 34.684 -17.555 1.00 0.00 N ATOM 569 CA VAL A 66 14.766 35.584 -18.690 1.00 0.00 C ATOM 570 C VAL A 66 13.823 36.778 -18.594 1.00 0.00 C ATOM 571 O VAL A 66 12.630 36.621 -18.330 1.00 0.00 O ATOM 572 CB VAL A 66 14.521 34.826 -19.995 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.472 35.817 -21.162 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.662 33.829 -20.224 1.00 0.00 C ATOM 0 H VAL A 66 13.601 34.422 -17.384 1.00 0.00 H new ATOM 0 HA VAL A 66 15.791 35.953 -18.674 1.00 0.00 H new ATOM 0 HB VAL A 66 13.573 34.292 -19.932 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.297 35.276 -22.092 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.664 36.530 -21.000 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.420 36.351 -21.226 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.490 33.287 -21.154 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.608 34.367 -20.287 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.700 33.123 -19.394 1.00 0.00 H new ATOM 584 N ARG A 67 14.365 37.968 -18.820 1.00 0.00 N ATOM 585 CA ARG A 67 13.560 39.183 -18.767 1.00 0.00 C ATOM 586 C ARG A 67 12.796 39.265 -17.451 1.00 0.00 C ATOM 587 O ARG A 67 11.752 39.910 -17.370 1.00 0.00 O ATOM 588 CB ARG A 67 12.572 39.205 -19.938 1.00 0.00 C ATOM 589 CG ARG A 67 13.321 39.510 -21.238 1.00 0.00 C ATOM 590 CD ARG A 67 12.338 39.497 -22.410 1.00 0.00 C ATOM 591 NE ARG A 67 11.886 38.137 -22.675 1.00 0.00 N ATOM 592 CZ ARG A 67 10.913 37.895 -23.548 1.00 0.00 C ATOM 593 NH1 ARG A 67 10.342 38.882 -24.180 1.00 0.00 N ATOM 594 NH2 ARG A 67 10.529 36.669 -23.772 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.350 38.118 -19.040 1.00 0.00 H new ATOM 0 HA ARG A 67 14.227 40.042 -18.838 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.064 38.244 -20.016 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.804 39.958 -19.764 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.808 40.483 -21.169 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.106 38.771 -21.400 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.483 40.134 -22.184 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.816 39.909 -23.299 1.00 0.00 H new ATOM 0 HE ARG A 67 12.323 37.358 -22.183 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.642 39.841 -24.005 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.596 38.695 -24.850 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.975 35.896 -23.278 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.783 36.483 -24.442 1.00 0.00 H new ATOM 608 N GLY A 68 13.326 38.610 -16.424 1.00 0.00 N ATOM 609 CA GLY A 68 12.688 38.622 -15.118 1.00 0.00 C ATOM 610 C GLY A 68 11.488 37.688 -15.088 1.00 0.00 C ATOM 611 O GLY A 68 10.567 37.877 -14.298 1.00 0.00 O ATOM 0 H GLY A 68 14.189 38.069 -16.472 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.407 38.321 -14.356 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.370 39.636 -14.874 1.00 0.00 H new ATOM 615 N ARG A 69 11.501 36.681 -15.959 1.00 0.00 N ATOM 616 CA ARG A 69 10.401 35.718 -16.029 1.00 0.00 C ATOM 617 C ARG A 69 10.941 34.294 -16.046 1.00 0.00 C ATOM 618 O ARG A 69 12.064 34.049 -16.487 1.00 0.00 O ATOM 619 CB ARG A 69 9.571 35.968 -17.287 1.00 0.00 C ATOM 620 CG ARG A 69 8.985 37.383 -17.236 1.00 0.00 C ATOM 621 CD ARG A 69 8.054 37.590 -18.427 1.00 0.00 C ATOM 622 NE ARG A 69 6.785 36.890 -18.197 1.00 0.00 N ATOM 623 CZ ARG A 69 6.431 35.819 -18.910 1.00 0.00 C ATOM 624 NH1 ARG A 69 7.221 35.357 -19.838 1.00 0.00 N ATOM 625 NH2 ARG A 69 5.293 35.226 -18.673 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.256 36.510 -16.623 1.00 0.00 H new ATOM 0 HA ARG A 69 9.771 35.845 -15.148 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.192 35.851 -18.175 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.770 35.233 -17.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.439 37.529 -16.304 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.787 38.121 -17.255 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.871 38.654 -18.576 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.525 37.218 -19.337 1.00 0.00 H new ATOM 0 HE ARG A 69 6.155 37.232 -17.471 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.114 35.814 -20.022 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.946 34.538 -20.380 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.675 35.581 -17.943 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.021 34.407 -19.217 1.00 0.00 H new ATOM 639 N THR A 70 10.134 33.359 -15.560 1.00 0.00 N ATOM 640 CA THR A 70 10.541 31.958 -15.519 1.00 0.00 C ATOM 641 C THR A 70 10.317 31.304 -16.875 1.00 0.00 C ATOM 642 O THR A 70 9.211 31.334 -17.413 1.00 0.00 O ATOM 643 CB THR A 70 9.736 31.209 -14.454 1.00 0.00 C ATOM 644 OG1 THR A 70 9.896 31.859 -13.201 1.00 0.00 O ATOM 645 CG2 THR A 70 10.239 29.768 -14.352 1.00 0.00 C ATOM 0 H THR A 70 9.201 33.542 -15.191 1.00 0.00 H new ATOM 0 HA THR A 70 11.601 31.912 -15.270 1.00 0.00 H new ATOM 0 HB THR A 70 8.681 31.204 -14.730 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.380 31.383 -12.517 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.665 29.235 -13.594 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.117 29.271 -15.315 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.293 29.769 -14.075 1.00 0.00 H new ATOM 653 N VAL A 71 11.373 30.711 -17.426 1.00 0.00 N ATOM 654 CA VAL A 71 11.287 30.045 -18.727 1.00 0.00 C ATOM 655 C VAL A 71 11.904 28.652 -18.663 1.00 0.00 C ATOM 656 O VAL A 71 13.000 28.473 -18.138 1.00 0.00 O ATOM 657 CB VAL A 71 12.012 30.884 -19.784 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.154 32.096 -20.153 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.355 31.365 -19.223 1.00 0.00 C ATOM 0 H VAL A 71 12.297 30.677 -16.995 1.00 0.00 H new ATOM 0 HA VAL A 71 10.236 29.945 -18.997 1.00 0.00 H new ATOM 0 HB VAL A 71 12.184 30.276 -20.672 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.671 32.692 -20.905 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.198 31.757 -20.553 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.981 32.703 -19.265 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.871 31.962 -19.975 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.182 31.972 -18.334 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.969 30.504 -18.960 1.00 0.00 H new ATOM 669 N SER A 72 11.190 27.669 -19.199 1.00 0.00 N ATOM 670 CA SER A 72 11.679 26.298 -19.198 1.00 0.00 C ATOM 671 C SER A 72 12.887 26.160 -20.121 1.00 0.00 C ATOM 672 O SER A 72 12.932 26.751 -21.201 1.00 0.00 O ATOM 673 CB SER A 72 10.577 25.352 -19.657 1.00 0.00 C ATOM 674 OG SER A 72 11.094 24.030 -19.739 1.00 0.00 O ATOM 0 H SER A 72 10.277 27.795 -19.637 1.00 0.00 H new ATOM 0 HA SER A 72 11.979 26.040 -18.182 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.740 25.385 -18.959 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.194 25.666 -20.628 1.00 0.00 H new ATOM 0 HG SER A 72 10.386 23.419 -20.033 1.00 0.00 H new ATOM 680 N VAL A 73 13.863 25.367 -19.693 1.00 0.00 N ATOM 681 CA VAL A 73 15.064 25.147 -20.489 1.00 0.00 C ATOM 682 C VAL A 73 14.729 24.344 -21.744 1.00 0.00 C ATOM 683 O VAL A 73 13.895 23.440 -21.708 1.00 0.00 O ATOM 684 CB VAL A 73 16.122 24.409 -19.667 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.305 24.033 -20.563 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.612 25.316 -18.534 1.00 0.00 C ATOM 0 H VAL A 73 13.846 24.868 -18.804 1.00 0.00 H new ATOM 0 HA VAL A 73 15.462 26.118 -20.785 1.00 0.00 H new ATOM 0 HB VAL A 73 15.684 23.503 -19.248 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.056 23.508 -19.973 1.00 0.00 H new ATOM 0 HG12 VAL A 73 16.959 23.386 -21.369 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.743 24.937 -20.986 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.366 24.791 -17.948 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.047 26.222 -18.956 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.773 25.581 -17.891 1.00 0.00 H new ATOM 696 N SER A 74 15.382 24.681 -22.852 1.00 0.00 N ATOM 697 CA SER A 74 15.136 23.988 -24.111 1.00 0.00 C ATOM 698 C SER A 74 15.423 22.498 -23.975 1.00 0.00 C ATOM 699 O SER A 74 14.659 21.664 -24.457 1.00 0.00 O ATOM 700 CB SER A 74 16.024 24.574 -25.210 1.00 0.00 C ATOM 701 OG SER A 74 15.707 25.946 -25.387 1.00 0.00 O ATOM 0 H SER A 74 16.080 25.423 -22.904 1.00 0.00 H new ATOM 0 HA SER A 74 14.087 24.122 -24.373 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.075 24.463 -24.942 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.874 24.031 -26.143 1.00 0.00 H new ATOM 0 HG SER A 74 16.276 26.325 -26.089 1.00 0.00 H new ATOM 707 N ASP A 75 16.532 22.165 -23.321 1.00 0.00 N ATOM 708 CA ASP A 75 16.914 20.767 -23.135 1.00 0.00 C ATOM 709 C ASP A 75 17.608 20.580 -21.787 1.00 0.00 C ATOM 710 O ASP A 75 18.834 20.640 -21.695 1.00 0.00 O ATOM 711 CB ASP A 75 17.847 20.328 -24.256 1.00 0.00 C ATOM 712 CG ASP A 75 18.038 18.816 -24.203 1.00 0.00 C ATOM 713 OD1 ASP A 75 17.993 18.269 -23.112 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 18.225 18.226 -25.254 1.00 0.00 O ATOM 0 H ASP A 75 17.179 22.839 -22.913 1.00 0.00 H new ATOM 0 HA ASP A 75 16.012 20.155 -23.156 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.433 20.618 -25.222 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.810 20.830 -24.158 1.00 0.00 H new ATOM 719 N PRO A 76 16.846 20.359 -20.745 1.00 0.00 N ATOM 720 CA PRO A 76 17.399 20.159 -19.374 1.00 0.00 C ATOM 721 C PRO A 76 18.412 19.021 -19.328 1.00 0.00 C ATOM 722 O PRO A 76 18.065 17.865 -19.560 1.00 0.00 O ATOM 723 CB PRO A 76 16.159 19.827 -18.522 1.00 0.00 C ATOM 724 CG PRO A 76 14.992 20.362 -19.292 1.00 0.00 C ATOM 725 CD PRO A 76 15.380 20.277 -20.762 1.00 0.00 C ATOM 0 HA PRO A 76 17.940 21.036 -19.018 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.067 18.752 -18.365 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.224 20.289 -17.537 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.093 19.779 -19.092 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.775 21.391 -19.005 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.037 19.346 -21.213 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.941 21.091 -21.339 1.00 0.00 H new ATOM 733 N LYS A 77 19.660 19.354 -19.013 1.00 0.00 N ATOM 734 CA LYS A 77 20.722 18.350 -18.917 1.00 0.00 C ATOM 735 C LYS A 77 21.270 18.291 -17.501 1.00 0.00 C ATOM 736 O LYS A 77 22.148 19.065 -17.129 1.00 0.00 O ATOM 737 CB LYS A 77 21.849 18.690 -19.892 1.00 0.00 C ATOM 738 CG LYS A 77 21.400 18.375 -21.321 1.00 0.00 C ATOM 739 CD LYS A 77 22.552 18.657 -22.286 1.00 0.00 C ATOM 740 CE LYS A 77 22.140 18.243 -23.697 1.00 0.00 C ATOM 741 NZ LYS A 77 23.266 18.507 -24.642 1.00 0.00 N1+ ATOM 0 H LYS A 77 19.963 20.308 -18.820 1.00 0.00 H new ATOM 0 HA LYS A 77 20.304 17.376 -19.173 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.113 19.744 -19.806 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.743 18.117 -19.646 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.094 17.332 -21.397 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.533 18.981 -21.584 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.808 19.716 -22.265 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.442 18.108 -21.979 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.876 17.185 -23.715 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.254 18.798 -24.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.986 18.225 -25.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.497 19.521 -24.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 24.100 17.959 -24.350 1.00 0.00 H new ATOM 755 N VAL A 78 20.744 17.363 -16.715 1.00 0.00 N ATOM 756 CA VAL A 78 21.184 17.194 -15.327 1.00 0.00 C ATOM 757 C VAL A 78 21.224 15.719 -14.947 1.00 0.00 C ATOM 758 O VAL A 78 20.628 14.877 -15.615 1.00 0.00 O ATOM 759 CB VAL A 78 20.236 17.947 -14.388 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.590 19.434 -14.383 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.792 17.773 -14.878 1.00 0.00 C ATOM 0 H VAL A 78 20.014 16.714 -17.008 1.00 0.00 H new ATOM 0 HA VAL A 78 22.191 17.601 -15.232 1.00 0.00 H new ATOM 0 HB VAL A 78 20.334 17.547 -13.379 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.914 19.967 -13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.616 19.563 -14.039 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.492 19.835 -15.392 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.115 18.308 -14.212 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.700 18.174 -15.887 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.535 16.714 -14.883 1.00 0.00 H new ATOM 771 N ILE A 79 21.929 15.416 -13.863 1.00 0.00 N ATOM 772 CA ILE A 79 22.042 14.041 -13.386 1.00 0.00 C ATOM 773 C ILE A 79 20.950 13.731 -12.374 1.00 0.00 C ATOM 774 O ILE A 79 20.561 14.589 -11.583 1.00 0.00 O ATOM 775 CB ILE A 79 23.414 13.820 -12.747 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.516 14.010 -13.806 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.484 12.396 -12.171 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.748 12.696 -14.571 1.00 0.00 C ATOM 0 H ILE A 79 22.430 16.102 -13.298 1.00 0.00 H new ATOM 0 HA ILE A 79 21.928 13.372 -14.239 1.00 0.00 H new ATOM 0 HB ILE A 79 23.563 14.543 -11.945 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.230 14.799 -14.502 1.00 0.00 H new ATOM 0 HG13 ILE A 79 25.441 14.328 -13.326 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.461 12.236 -11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.707 12.270 -11.418 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.334 11.672 -12.972 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.529 12.842 -15.317 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.055 11.918 -13.872 1.00 0.00 H new ATOM 0 HD13 ILE A 79 23.825 12.396 -15.067 1.00 0.00 H new ATOM 790 N CYS A 80 20.464 12.493 -12.399 1.00 0.00 N ATOM 791 CA CYS A 80 19.418 12.069 -11.472 1.00 0.00 C ATOM 792 C CYS A 80 20.032 11.526 -10.186 1.00 0.00 C ATOM 793 O CYS A 80 21.219 11.200 -10.145 1.00 0.00 O ATOM 794 CB CYS A 80 18.540 10.998 -12.127 1.00 0.00 C ATOM 795 SG CYS A 80 19.322 9.370 -11.985 1.00 0.00 S ATOM 0 H CYS A 80 20.775 11.769 -13.047 1.00 0.00 H new ATOM 0 HA CYS A 80 18.801 12.933 -11.225 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.560 10.981 -11.651 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.380 11.242 -13.177 1.00 0.00 H new ATOM 0 HG CYS A 80 19.068 8.672 -13.052 1.00 0.00 H new ATOM 800 N ARG A 81 19.221 11.426 -9.137 1.00 0.00 N ATOM 801 CA ARG A 81 19.707 10.917 -7.864 1.00 0.00 C ATOM 802 C ARG A 81 20.279 9.512 -8.027 1.00 0.00 C ATOM 803 O ARG A 81 21.402 9.240 -7.610 1.00 0.00 O ATOM 804 CB ARG A 81 18.556 10.885 -6.851 1.00 0.00 C ATOM 805 CG ARG A 81 18.193 12.312 -6.440 1.00 0.00 C ATOM 806 CD ARG A 81 17.055 12.278 -5.419 1.00 0.00 C ATOM 807 NE ARG A 81 16.742 13.630 -4.968 1.00 0.00 N ATOM 808 CZ ARG A 81 15.713 13.864 -4.160 1.00 0.00 C ATOM 809 NH1 ARG A 81 14.962 12.877 -3.756 1.00 0.00 N ATOM 810 NH2 ARG A 81 15.456 15.083 -3.769 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.235 11.688 -9.144 1.00 0.00 H new ATOM 0 HA ARG A 81 20.498 11.576 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.688 10.390 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.846 10.306 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.063 12.811 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.893 12.888 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.171 11.821 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.339 11.659 -4.568 1.00 0.00 H new ATOM 0 HE ARG A 81 17.323 14.409 -5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.164 11.925 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.173 13.058 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.045 15.854 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.667 15.264 -3.149 1.00 0.00 H new ATOM 824 N THR A 82 19.498 8.620 -8.628 1.00 0.00 N ATOM 825 CA THR A 82 19.944 7.247 -8.831 1.00 0.00 C ATOM 826 C THR A 82 21.337 7.232 -9.449 1.00 0.00 C ATOM 827 O THR A 82 22.177 6.405 -9.091 1.00 0.00 O ATOM 828 CB THR A 82 18.964 6.513 -9.750 1.00 0.00 C ATOM 829 OG1 THR A 82 19.249 6.842 -11.103 1.00 0.00 O ATOM 830 CG2 THR A 82 17.531 6.934 -9.416 1.00 0.00 C ATOM 0 H THR A 82 18.562 8.821 -8.980 1.00 0.00 H new ATOM 0 HA THR A 82 19.980 6.743 -7.865 1.00 0.00 H new ATOM 0 HB THR A 82 19.068 5.438 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.194 7.813 -11.222 1.00 0.00 H new ATOM 0 HG21 THR A 82 16.836 6.410 -10.072 1.00 0.00 H new ATOM 0 HG22 THR A 82 17.311 6.683 -8.378 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.425 8.009 -9.560 1.00 0.00 H new ATOM 838 N CYS A 83 21.581 8.158 -10.369 1.00 0.00 N ATOM 839 CA CYS A 83 22.882 8.252 -11.025 1.00 0.00 C ATOM 840 C CYS A 83 23.853 9.032 -10.152 1.00 0.00 C ATOM 841 O CYS A 83 25.053 9.049 -10.415 1.00 0.00 O ATOM 842 CB CYS A 83 22.742 8.951 -12.374 1.00 0.00 C ATOM 843 SG CYS A 83 22.159 7.767 -13.607 1.00 0.00 S ATOM 0 H CYS A 83 20.900 8.852 -10.677 1.00 0.00 H new ATOM 0 HA CYS A 83 23.265 7.243 -11.180 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.042 9.783 -12.294 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.701 9.369 -12.680 1.00 0.00 H new ATOM 0 HG CYS A 83 20.867 7.858 -13.719 1.00 0.00 H new ATOM 947 N SER A 90 28.840 17.489 2.924 1.00 0.00 N ATOM 948 CA SER A 90 27.841 18.038 3.840 1.00 0.00 C ATOM 949 C SER A 90 28.173 19.482 4.183 1.00 0.00 C ATOM 950 O SER A 90 29.294 19.937 3.962 1.00 0.00 O ATOM 951 CB SER A 90 27.793 17.203 5.117 1.00 0.00 C ATOM 952 OG SER A 90 29.011 17.366 5.833 1.00 0.00 O ATOM 0 HA SER A 90 26.867 18.008 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 90 26.950 17.512 5.736 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.640 16.152 4.872 1.00 0.00 H new ATOM 0 HG SER A 90 29.739 17.550 5.203 1.00 0.00 H new ATOM 958 N ILE A 91 27.190 20.202 4.725 1.00 0.00 N ATOM 959 CA ILE A 91 27.385 21.601 5.102 1.00 0.00 C ATOM 960 C ILE A 91 26.992 21.813 6.557 1.00 0.00 C ATOM 961 O ILE A 91 25.920 21.392 6.990 1.00 0.00 O ATOM 962 CB ILE A 91 26.546 22.498 4.195 1.00 0.00 C ATOM 963 CG1 ILE A 91 27.019 22.336 2.746 1.00 0.00 C ATOM 964 CG2 ILE A 91 26.718 23.961 4.624 1.00 0.00 C ATOM 965 CD1 ILE A 91 25.968 22.917 1.808 1.00 0.00 C ATOM 0 H ILE A 91 26.255 19.841 4.912 1.00 0.00 H new ATOM 0 HA ILE A 91 28.438 21.858 4.986 1.00 0.00 H new ATOM 0 HB ILE A 91 25.496 22.216 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 91 27.972 22.845 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 91 27.183 21.282 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 91 26.120 24.603 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 91 26.389 24.078 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 91 27.768 24.243 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 91 26.299 22.804 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 91 25.025 22.388 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 91 25.827 23.975 2.030 1.00 0.00 H new ATOM 977 N TRP A 92 27.869 22.468 7.307 1.00 0.00 N ATOM 978 CA TRP A 92 27.606 22.731 8.716 1.00 0.00 C ATOM 979 C TRP A 92 26.687 23.938 8.873 1.00 0.00 C ATOM 980 O TRP A 92 26.973 25.021 8.365 1.00 0.00 O ATOM 981 CB TRP A 92 28.925 22.984 9.459 1.00 0.00 C ATOM 982 CG TRP A 92 28.641 23.526 10.825 1.00 0.00 C ATOM 983 CD1 TRP A 92 27.714 23.034 11.677 1.00 0.00 C ATOM 984 CD2 TRP A 92 29.263 24.655 11.503 1.00 0.00 C ATOM 985 NE1 TRP A 92 27.725 23.790 12.836 1.00 0.00 N ATOM 986 CE2 TRP A 92 28.666 24.798 12.779 1.00 0.00 C ATOM 987 CE3 TRP A 92 30.278 25.558 11.142 1.00 0.00 C ATOM 988 CZ2 TRP A 92 29.061 25.802 13.662 1.00 0.00 C ATOM 989 CZ3 TRP A 92 30.678 26.571 12.027 1.00 0.00 C ATOM 990 CH2 TRP A 92 30.071 26.691 13.286 1.00 0.00 C ATOM 0 H TRP A 92 28.762 22.825 6.967 1.00 0.00 H new ATOM 0 HA TRP A 92 27.114 21.858 9.144 1.00 0.00 H new ATOM 0 HB2 TRP A 92 29.493 22.057 9.536 1.00 0.00 H new ATOM 0 HB3 TRP A 92 29.539 23.689 8.899 1.00 0.00 H new ATOM 0 HD1 TRP A 92 27.070 22.189 11.485 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.113 23.623 13.634 1.00 0.00 H new ATOM 0 HE3 TRP A 92 30.754 25.472 10.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.590 25.892 14.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 31.457 27.261 11.738 1.00 0.00 H new ATOM 0 HH2 TRP A 92 30.384 27.471 13.965 1.00 0.00 H new ATOM 1001 N CYS A 93 25.595 23.751 9.610 1.00 0.00 N ATOM 1002 CA CYS A 93 24.650 24.837 9.865 1.00 0.00 C ATOM 1003 C CYS A 93 24.835 25.345 11.289 1.00 0.00 C ATOM 1004 O CYS A 93 24.964 24.555 12.223 1.00 0.00 O ATOM 1005 CB CYS A 93 23.217 24.338 9.676 1.00 0.00 C ATOM 1006 SG CYS A 93 22.058 25.542 10.373 1.00 0.00 S ATOM 0 H CYS A 93 25.342 22.861 10.040 1.00 0.00 H new ATOM 0 HA CYS A 93 24.837 25.649 9.162 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.010 24.190 8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 93 23.090 23.372 10.164 1.00 0.00 H new ATOM 0 HG CYS A 93 20.999 24.925 10.805 1.00 0.00 H new ATOM 1011 N THR A 94 24.847 26.662 11.454 1.00 0.00 N ATOM 1012 CA THR A 94 25.017 27.256 12.781 1.00 0.00 C ATOM 1013 C THR A 94 23.664 27.656 13.362 1.00 0.00 C ATOM 1014 O THR A 94 23.577 28.077 14.514 1.00 0.00 O ATOM 1015 CB THR A 94 25.916 28.490 12.688 1.00 0.00 C ATOM 1016 OG1 THR A 94 25.139 29.616 12.303 1.00 0.00 O ATOM 1017 CG2 THR A 94 27.012 28.247 11.649 1.00 0.00 C ATOM 0 H THR A 94 24.742 27.336 10.696 1.00 0.00 H new ATOM 0 HA THR A 94 25.480 26.517 13.435 1.00 0.00 H new ATOM 0 HB THR A 94 26.373 28.679 13.659 1.00 0.00 H new ATOM 0 HG1 THR A 94 25.732 30.373 12.112 1.00 0.00 H new ATOM 0 HG21 THR A 94 27.652 29.127 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 94 27.609 27.385 11.945 1.00 0.00 H new ATOM 0 HG23 THR A 94 26.556 28.056 10.677 1.00 0.00 H new ATOM 1025 N ALA A 95 22.612 27.519 12.560 1.00 0.00 N ATOM 1026 CA ALA A 95 21.268 27.868 13.006 1.00 0.00 C ATOM 1027 C ALA A 95 20.592 26.667 13.649 1.00 0.00 C ATOM 1028 O ALA A 95 19.644 26.821 14.416 1.00 0.00 O ATOM 1029 CB ALA A 95 20.432 28.349 11.820 1.00 0.00 C ATOM 0 H ALA A 95 22.664 27.171 11.603 1.00 0.00 H new ATOM 0 HA ALA A 95 21.346 28.667 13.743 1.00 0.00 H new ATOM 0 HB1 ALA A 95 19.430 28.607 12.162 1.00 0.00 H new ATOM 0 HB2 ALA A 95 20.902 29.227 11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.368 27.556 11.075 1.00 0.00 H new ATOM 1035 N CYS A 96 21.086 25.471 13.335 1.00 0.00 N ATOM 1036 CA CYS A 96 20.523 24.238 13.890 1.00 0.00 C ATOM 1037 C CYS A 96 21.520 23.571 14.817 1.00 0.00 C ATOM 1038 O CYS A 96 21.130 22.965 15.810 1.00 0.00 O ATOM 1039 CB CYS A 96 20.146 23.281 12.762 1.00 0.00 C ATOM 1040 SG CYS A 96 18.886 24.054 11.716 1.00 0.00 S ATOM 0 H CYS A 96 21.872 25.328 12.701 1.00 0.00 H new ATOM 0 HA CYS A 96 19.629 24.491 14.460 1.00 0.00 H new ATOM 0 HB2 CYS A 96 21.027 23.035 12.169 1.00 0.00 H new ATOM 0 HB3 CYS A 96 19.768 22.345 13.175 1.00 0.00 H new ATOM 0 HG CYS A 96 19.154 23.817 10.466 1.00 0.00 H new ATOM 1045 N GLN A 97 22.807 23.680 14.480 1.00 0.00 N ATOM 1046 CA GLN A 97 23.862 23.077 15.291 1.00 0.00 C ATOM 1047 C GLN A 97 24.014 21.596 14.964 1.00 0.00 C ATOM 1048 O GLN A 97 24.383 20.797 15.822 1.00 0.00 O ATOM 1049 CB GLN A 97 23.544 23.246 16.787 1.00 0.00 C ATOM 1050 CG GLN A 97 24.837 23.258 17.597 1.00 0.00 C ATOM 1051 CD GLN A 97 24.518 23.367 19.082 1.00 0.00 C ATOM 1052 OE1 GLN A 97 24.868 22.481 19.860 1.00 0.00 O ATOM 1053 NE2 GLN A 97 23.863 24.407 19.523 1.00 0.00 N ATOM 0 H GLN A 97 23.141 24.178 13.655 1.00 0.00 H new ATOM 0 HA GLN A 97 24.799 23.585 15.062 1.00 0.00 H new ATOM 0 HB2 GLN A 97 22.996 24.174 16.948 1.00 0.00 H new ATOM 0 HB3 GLN A 97 22.901 22.433 17.125 1.00 0.00 H new ATOM 0 HG2 GLN A 97 25.405 22.348 17.404 1.00 0.00 H new ATOM 0 HG3 GLN A 97 25.462 24.096 17.288 1.00 0.00 H new ATOM 0 HE21 GLN A 97 23.574 25.140 18.875 1.00 0.00 H new ATOM 0 HE22 GLN A 97 23.640 24.486 20.515 1.00 0.00 H new ATOM 1062 N GLN A 98 23.723 21.237 13.718 1.00 0.00 N ATOM 1063 CA GLN A 98 23.827 19.843 13.288 1.00 0.00 C ATOM 1064 C GLN A 98 24.354 19.766 11.863 1.00 0.00 C ATOM 1065 O GLN A 98 24.251 20.726 11.099 1.00 0.00 O ATOM 1066 CB GLN A 98 22.456 19.168 13.374 1.00 0.00 C ATOM 1067 CG GLN A 98 22.587 17.696 12.976 1.00 0.00 C ATOM 1068 CD GLN A 98 21.291 16.955 13.279 1.00 0.00 C ATOM 1069 OE1 GLN A 98 20.467 17.439 14.055 1.00 0.00 O ATOM 1070 NE2 GLN A 98 21.060 15.804 12.712 1.00 0.00 N ATOM 0 H GLN A 98 23.416 21.884 12.992 1.00 0.00 H new ATOM 0 HA GLN A 98 24.524 19.325 13.947 1.00 0.00 H new ATOM 0 HB2 GLN A 98 22.062 19.248 14.387 1.00 0.00 H new ATOM 0 HB3 GLN A 98 21.748 19.672 12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 98 22.820 17.618 11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 98 23.413 17.237 13.519 1.00 0.00 H new ATOM 0 HE21 GLN A 98 21.745 15.405 12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 98 20.195 15.302 12.911 1.00 0.00 H new ATOM 1079 N THR A 99 24.921 18.617 11.510 1.00 0.00 N ATOM 1080 CA THR A 99 25.463 18.427 10.172 1.00 0.00 C ATOM 1081 C THR A 99 24.355 18.080 9.192 1.00 0.00 C ATOM 1082 O THR A 99 23.676 17.065 9.341 1.00 0.00 O ATOM 1083 CB THR A 99 26.494 17.297 10.184 1.00 0.00 C ATOM 1084 OG1 THR A 99 27.504 17.590 11.137 1.00 0.00 O ATOM 1085 CG2 THR A 99 27.124 17.160 8.796 1.00 0.00 C ATOM 0 H THR A 99 25.016 17.810 12.127 1.00 0.00 H new ATOM 0 HA THR A 99 25.938 19.357 9.859 1.00 0.00 H new ATOM 0 HB THR A 99 26.003 16.361 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 99 28.164 16.866 11.147 1.00 0.00 H new ATOM 0 HG21 THR A 99 27.858 16.354 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 99 26.348 16.933 8.065 1.00 0.00 H new ATOM 0 HG23 THR A 99 27.615 18.095 8.526 1.00 0.00 H new ATOM 1093 N LYS A 100 24.176 18.930 8.181 1.00 0.00 N ATOM 1094 CA LYS A 100 23.143 18.705 7.164 1.00 0.00 C ATOM 1095 C LYS A 100 23.775 18.382 5.820 1.00 0.00 C ATOM 1096 O LYS A 100 24.775 18.982 5.429 1.00 0.00 O ATOM 1097 CB LYS A 100 22.254 19.964 7.042 1.00 0.00 C ATOM 1098 CG LYS A 100 20.934 19.761 7.796 1.00 0.00 C ATOM 1099 CD LYS A 100 21.206 19.715 9.297 1.00 0.00 C ATOM 1100 CE LYS A 100 19.906 19.403 10.034 1.00 0.00 C ATOM 1101 NZ LYS A 100 18.931 20.504 9.801 1.00 0.00 N1+ ATOM 0 H LYS A 100 24.728 19.776 8.043 1.00 0.00 H new ATOM 0 HA LYS A 100 22.530 17.856 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 100 22.781 20.829 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.052 20.174 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 100 20.243 20.572 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 100 20.458 18.835 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 100 21.955 18.955 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 100 21.609 20.670 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 100 19.494 18.457 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 100 20.097 19.291 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.488 20.772 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 19.425 21.326 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.197 20.183 9.137 1.00 0.00 H new ATOM 1115 N GLY A 101 23.176 17.428 5.118 1.00 0.00 N ATOM 1116 CA GLY A 101 23.683 17.026 3.814 1.00 0.00 C ATOM 1117 C GLY A 101 23.633 18.188 2.832 1.00 0.00 C ATOM 1118 O GLY A 101 22.947 19.184 3.062 1.00 0.00 O ATOM 0 H GLY A 101 22.346 16.923 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 101 24.709 16.671 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 101 23.093 16.194 3.430 1.00 0.00 H new ATOM 1122 N ILE A 102 24.365 18.053 1.736 1.00 0.00 N ATOM 1123 CA ILE A 102 24.403 19.095 0.716 1.00 0.00 C ATOM 1124 C ILE A 102 23.114 19.106 -0.100 1.00 0.00 C ATOM 1125 O ILE A 102 22.698 20.145 -0.613 1.00 0.00 O ATOM 1126 CB ILE A 102 25.595 18.879 -0.216 1.00 0.00 C ATOM 1127 CG1 ILE A 102 25.633 19.995 -1.264 1.00 0.00 C ATOM 1128 CG2 ILE A 102 25.456 17.528 -0.919 1.00 0.00 C ATOM 1129 CD1 ILE A 102 26.980 19.970 -1.989 1.00 0.00 C ATOM 0 H ILE A 102 24.939 17.236 1.529 1.00 0.00 H new ATOM 0 HA ILE A 102 24.506 20.056 1.220 1.00 0.00 H new ATOM 0 HB ILE A 102 26.517 18.894 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 102 24.821 19.864 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 102 25.484 20.963 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 102 26.306 17.374 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 102 25.428 16.732 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 102 24.534 17.513 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 102 27.007 20.764 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 102 27.784 20.122 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 102 27.111 19.006 -2.481 1.00 0.00 H new ATOM 1141 N ASN A 103 22.491 17.937 -0.225 1.00 0.00 N ATOM 1142 CA ASN A 103 21.261 17.820 -0.998 1.00 0.00 C ATOM 1143 C ASN A 103 20.164 18.699 -0.406 1.00 0.00 C ATOM 1144 O ASN A 103 19.431 19.366 -1.135 1.00 0.00 O ATOM 1145 CB ASN A 103 20.791 16.362 -1.009 1.00 0.00 C ATOM 1146 CG ASN A 103 21.726 15.517 -1.866 1.00 0.00 C ATOM 1147 OD1 ASN A 103 22.445 16.051 -2.711 1.00 0.00 O ATOM 1148 ND2 ASN A 103 21.761 14.224 -1.698 1.00 0.00 N ATOM 0 H ASN A 103 22.815 17.066 0.195 1.00 0.00 H new ATOM 0 HA ASN A 103 21.465 18.150 -2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 103 20.766 15.972 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 103 19.775 16.302 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 103 22.385 13.652 -2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.164 13.784 -0.997 1.00 0.00 H new ATOM 1155 N GLU A 104 20.063 18.699 0.917 1.00 0.00 N ATOM 1156 CA GLU A 104 19.056 19.505 1.602 1.00 0.00 C ATOM 1157 C GLU A 104 19.532 20.939 1.763 1.00 0.00 C ATOM 1158 O GLU A 104 18.984 21.692 2.565 1.00 0.00 O ATOM 1159 CB GLU A 104 18.749 18.905 2.970 1.00 0.00 C ATOM 1160 CG GLU A 104 20.037 18.807 3.787 1.00 0.00 C ATOM 1161 CD GLU A 104 19.756 18.123 5.117 1.00 0.00 C ATOM 1162 OE1 GLU A 104 18.719 18.400 5.696 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 20.584 17.335 5.541 1.00 0.00 O ATOM 0 H GLU A 104 20.662 18.153 1.536 1.00 0.00 H new ATOM 0 HA GLU A 104 18.149 19.507 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.020 19.523 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.304 17.917 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.789 18.246 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.445 19.803 3.959 1.00 0.00 H new ATOM 1170 N PHE A 105 20.554 21.314 0.995 1.00 0.00 N ATOM 1171 CA PHE A 105 21.098 22.671 1.057 1.00 0.00 C ATOM 1172 C PHE A 105 21.118 23.299 -0.329 1.00 0.00 C ATOM 1173 O PHE A 105 21.496 22.661 -1.311 1.00 0.00 O ATOM 1174 CB PHE A 105 22.527 22.632 1.639 1.00 0.00 C ATOM 1175 CG PHE A 105 22.554 23.302 2.991 1.00 0.00 C ATOM 1176 CD1 PHE A 105 22.261 22.569 4.142 1.00 0.00 C ATOM 1177 CD2 PHE A 105 22.858 24.664 3.083 1.00 0.00 C ATOM 1178 CE1 PHE A 105 22.279 23.197 5.388 1.00 0.00 C ATOM 1179 CE2 PHE A 105 22.874 25.295 4.331 1.00 0.00 C ATOM 1180 CZ PHE A 105 22.585 24.561 5.486 1.00 0.00 C ATOM 0 H PHE A 105 21.020 20.701 0.326 1.00 0.00 H new ATOM 0 HA PHE A 105 20.462 23.276 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.863 21.599 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 105 23.218 23.134 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 105 22.021 21.519 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 105 23.081 25.229 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 105 22.056 22.630 6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 105 23.109 26.347 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 105 22.598 25.045 6.452 1.00 0.00 H new ATOM 1190 N SER A 106 20.730 24.566 -0.393 1.00 0.00 N ATOM 1191 CA SER A 106 20.722 25.292 -1.658 1.00 0.00 C ATOM 1192 C SER A 106 22.107 25.863 -1.956 1.00 0.00 C ATOM 1193 O SER A 106 23.001 25.825 -1.110 1.00 0.00 O ATOM 1194 CB SER A 106 19.698 26.424 -1.606 1.00 0.00 C ATOM 1195 OG SER A 106 20.164 27.438 -0.728 1.00 0.00 O ATOM 0 H SER A 106 20.418 25.111 0.411 1.00 0.00 H new ATOM 0 HA SER A 106 20.450 24.597 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 106 19.541 26.834 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 106 18.736 26.044 -1.263 1.00 0.00 H new ATOM 0 HG SER A 106 20.064 28.313 -1.157 1.00 0.00 H new ATOM 1201 N LYS A 107 22.268 26.404 -3.160 1.00 0.00 N ATOM 1202 CA LYS A 107 23.543 26.994 -3.560 1.00 0.00 C ATOM 1203 C LYS A 107 23.775 28.314 -2.833 1.00 0.00 C ATOM 1204 O LYS A 107 24.899 28.630 -2.441 1.00 0.00 O ATOM 1205 CB LYS A 107 23.562 27.223 -5.071 1.00 0.00 C ATOM 1206 CG LYS A 107 22.396 28.124 -5.458 1.00 0.00 C ATOM 1207 CD LYS A 107 22.310 28.219 -6.985 1.00 0.00 C ATOM 1208 CE LYS A 107 21.006 28.909 -7.382 1.00 0.00 C ATOM 1209 NZ LYS A 107 21.147 30.383 -7.212 1.00 0.00 N1+ ATOM 0 H LYS A 107 21.538 26.447 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 107 24.343 26.304 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 107 24.505 27.681 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 107 23.490 26.270 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 107 21.465 27.726 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 107 22.531 29.116 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 107 23.162 28.777 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 107 22.355 27.223 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.760 28.674 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 107 20.185 28.539 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.258 30.850 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.363 30.599 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.919 30.730 -7.817 1.00 0.00 H new ATOM 1223 N ALA A 108 22.703 29.081 -2.655 1.00 0.00 N ATOM 1224 CA ALA A 108 22.803 30.368 -1.972 1.00 0.00 C ATOM 1225 C ALA A 108 23.130 30.167 -0.495 1.00 0.00 C ATOM 1226 O ALA A 108 23.996 30.845 0.057 1.00 0.00 O ATOM 1227 CB ALA A 108 21.484 31.131 -2.105 1.00 0.00 C ATOM 0 H ALA A 108 21.764 28.838 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 108 23.605 30.943 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 108 21.565 32.090 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 108 21.266 31.300 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 108 20.680 30.548 -1.657 1.00 0.00 H new ATOM 1233 N GLN A 109 22.435 29.225 0.135 1.00 0.00 N ATOM 1234 CA GLN A 109 22.660 28.939 1.546 1.00 0.00 C ATOM 1235 C GLN A 109 24.023 28.279 1.740 1.00 0.00 C ATOM 1236 O GLN A 109 24.480 28.107 2.861 1.00 0.00 O ATOM 1237 CB GLN A 109 21.563 28.011 2.073 1.00 0.00 C ATOM 1238 CG GLN A 109 20.205 28.706 1.951 1.00 0.00 C ATOM 1239 CD GLN A 109 19.083 27.686 2.092 1.00 0.00 C ATOM 1240 OE1 GLN A 109 19.316 26.552 2.693 1.00 0.00 O flip ATOM 1241 NE2 GLN A 109 17.968 27.927 1.631 1.00 0.00 N flip ATOM 0 H GLN A 109 21.717 28.651 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 109 22.636 29.878 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.558 27.079 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.759 27.753 3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.109 29.473 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.130 29.210 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.791 28.815 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.220 27.238 1.718 1.00 0.00 H new ATOM 1250 N ARG A 110 24.665 27.911 0.640 1.00 0.00 N ATOM 1251 CA ARG A 110 25.976 27.279 0.702 1.00 0.00 C ATOM 1252 C ARG A 110 27.081 28.331 0.667 1.00 0.00 C ATOM 1253 O ARG A 110 28.117 28.179 1.313 1.00 0.00 O ATOM 1254 CB ARG A 110 26.147 26.321 -0.479 1.00 0.00 C ATOM 1255 CG ARG A 110 27.483 25.586 -0.357 1.00 0.00 C ATOM 1256 CD ARG A 110 27.655 24.648 -1.549 1.00 0.00 C ATOM 1257 NE ARG A 110 26.519 23.745 -1.654 1.00 0.00 N ATOM 1258 CZ ARG A 110 26.267 23.085 -2.780 1.00 0.00 C ATOM 1259 NH1 ARG A 110 27.048 23.241 -3.815 1.00 0.00 N ATOM 1260 NH2 ARG A 110 25.241 22.285 -2.852 1.00 0.00 N1+ ATOM 0 H ARG A 110 24.301 28.039 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 110 26.048 26.724 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 110 25.327 25.604 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 110 26.110 26.875 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 110 28.303 26.303 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 110 27.516 25.019 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 110 27.751 25.229 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 110 28.575 24.074 -1.438 1.00 0.00 H new ATOM 0 HE ARG A 110 25.905 23.616 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 110 27.850 23.869 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 110 26.856 22.735 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 110 24.630 22.165 -2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.048 21.779 -3.716 1.00 0.00 H new ATOM 1274 N HIS A 111 26.863 29.388 -0.111 1.00 0.00 N ATOM 1275 CA HIS A 111 27.855 30.450 -0.238 1.00 0.00 C ATOM 1276 C HIS A 111 27.945 31.275 1.043 1.00 0.00 C ATOM 1277 O HIS A 111 29.035 31.613 1.501 1.00 0.00 O ATOM 1278 CB HIS A 111 27.500 31.361 -1.413 1.00 0.00 C ATOM 1279 CG HIS A 111 28.584 32.388 -1.598 1.00 0.00 C ATOM 1280 ND1 HIS A 111 29.842 32.058 -2.074 1.00 0.00 N ATOM 1281 CD2 HIS A 111 28.609 33.743 -1.377 1.00 0.00 C ATOM 1282 CE1 HIS A 111 30.568 33.190 -2.124 1.00 0.00 C ATOM 1283 NE2 HIS A 111 29.865 34.247 -1.710 1.00 0.00 N ATOM 0 H HIS A 111 26.015 29.531 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 111 28.825 29.986 -0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 111 27.384 30.771 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 111 26.545 31.854 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 111 27.782 34.328 -1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 111 31.594 33.238 -2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 111 30.180 35.215 -1.650 1.00 0.00 H new ATOM 1291 N VAL A 112 26.786 31.609 1.607 1.00 0.00 N ATOM 1292 CA VAL A 112 26.740 32.409 2.819 1.00 0.00 C ATOM 1293 C VAL A 112 27.707 31.865 3.858 1.00 0.00 C ATOM 1294 O VAL A 112 27.907 30.653 3.964 1.00 0.00 O ATOM 1295 CB VAL A 112 25.320 32.407 3.391 1.00 0.00 C ATOM 1296 CG1 VAL A 112 24.360 33.059 2.389 1.00 0.00 C ATOM 1297 CG2 VAL A 112 24.882 30.966 3.653 1.00 0.00 C ATOM 0 H VAL A 112 25.873 31.337 1.243 1.00 0.00 H new ATOM 0 HA VAL A 112 27.031 33.429 2.569 1.00 0.00 H new ATOM 0 HB VAL A 112 25.304 32.970 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 112 23.350 33.056 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 112 24.673 34.086 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 112 24.374 32.499 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 112 23.871 30.961 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 112 24.899 30.405 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 112 25.563 30.503 4.367 1.00 0.00 H new ATOM 1307 N LEU A 113 28.307 32.767 4.623 1.00 0.00 N ATOM 1308 CA LEU A 113 29.251 32.366 5.650 1.00 0.00 C ATOM 1309 C LEU A 113 28.551 31.561 6.736 1.00 0.00 C ATOM 1310 O LEU A 113 29.187 30.787 7.449 1.00 0.00 O ATOM 1311 CB LEU A 113 29.907 33.605 6.280 1.00 0.00 C ATOM 1312 CG LEU A 113 30.968 33.172 7.307 1.00 0.00 C ATOM 1313 CD1 LEU A 113 32.063 32.341 6.615 1.00 0.00 C ATOM 1314 CD2 LEU A 113 31.588 34.413 7.947 1.00 0.00 C ATOM 0 H LEU A 113 28.157 33.773 4.551 1.00 0.00 H new ATOM 0 HA LEU A 113 30.017 31.746 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 113 30.368 34.217 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 113 29.150 34.221 6.765 1.00 0.00 H new ATOM 0 HG LEU A 113 30.496 32.561 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 113 32.809 32.039 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 113 31.617 31.454 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 113 32.539 32.941 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 113 32.340 34.110 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 113 32.056 35.025 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 113 30.811 34.991 8.447 1.00 0.00 H new ATOM 1326 N ASP A 114 27.242 31.749 6.855 1.00 0.00 N ATOM 1327 CA ASP A 114 26.456 31.037 7.868 1.00 0.00 C ATOM 1328 C ASP A 114 25.384 30.187 7.195 1.00 0.00 C ATOM 1329 O ASP A 114 24.246 30.625 7.037 1.00 0.00 O ATOM 1330 CB ASP A 114 25.803 32.034 8.819 1.00 0.00 C ATOM 1331 CG ASP A 114 25.105 31.284 9.949 1.00 0.00 C ATOM 1332 OD1 ASP A 114 24.611 30.197 9.697 1.00 0.00 O ATOM 1333 OD2 ASP A 114 25.077 31.806 11.051 1.00 0.00 O1- ATOM 0 H ASP A 114 26.700 32.384 6.268 1.00 0.00 H new ATOM 0 HA ASP A 114 27.121 30.387 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 114 26.556 32.708 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 114 25.083 32.649 8.279 1.00 0.00 H new ATOM 1338 N PRO A 115 25.729 28.993 6.790 1.00 0.00 N ATOM 1339 CA PRO A 115 24.778 28.069 6.112 1.00 0.00 C ATOM 1340 C PRO A 115 23.511 27.840 6.928 1.00 0.00 C ATOM 1341 O PRO A 115 23.568 27.693 8.146 1.00 0.00 O ATOM 1342 CB PRO A 115 25.578 26.763 5.962 1.00 0.00 C ATOM 1343 CG PRO A 115 27.014 27.170 6.023 1.00 0.00 C ATOM 1344 CD PRO A 115 27.065 28.396 6.928 1.00 0.00 C ATOM 0 HA PRO A 115 24.430 28.472 5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 115 25.335 26.059 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 115 25.349 26.268 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 115 27.631 26.365 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 115 27.396 27.402 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 115 27.275 28.121 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 115 27.847 29.090 6.618 1.00 0.00 H new ATOM 1352 N ARG A 116 22.372 27.809 6.244 1.00 0.00 N ATOM 1353 CA ARG A 116 21.089 27.591 6.911 1.00 0.00 C ATOM 1354 C ARG A 116 20.258 26.571 6.145 1.00 0.00 C ATOM 1355 O ARG A 116 19.820 26.826 5.027 1.00 0.00 O ATOM 1356 CB ARG A 116 20.328 28.914 7.009 1.00 0.00 C ATOM 1357 CG ARG A 116 21.059 29.861 7.959 1.00 0.00 C ATOM 1358 CD ARG A 116 20.381 31.230 7.946 1.00 0.00 C ATOM 1359 NE ARG A 116 19.020 31.123 8.463 1.00 0.00 N ATOM 1360 CZ ARG A 116 18.772 31.187 9.769 1.00 0.00 C ATOM 1361 NH1 ARG A 116 19.755 31.347 10.613 1.00 0.00 N ATOM 1362 NH2 ARG A 116 17.545 31.093 10.205 1.00 0.00 N1+ ATOM 0 H ARG A 116 22.309 27.931 5.233 1.00 0.00 H new ATOM 0 HA ARG A 116 21.275 27.206 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.242 29.369 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 116 19.314 28.735 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 116 21.055 29.452 8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.102 29.959 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 116 20.953 31.933 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 116 20.362 31.625 6.930 1.00 0.00 H new ATOM 0 HE ARG A 116 18.245 30.997 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 116 20.713 31.423 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.565 31.396 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 116 16.777 30.971 9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.354 31.142 11.206 1.00 0.00 H new ATOM 1376 N CYS A 117 20.032 25.415 6.765 1.00 0.00 N ATOM 1377 CA CYS A 117 19.239 24.367 6.139 1.00 0.00 C ATOM 1378 C CYS A 117 17.904 24.923 5.666 1.00 0.00 C ATOM 1379 O CYS A 117 17.392 25.886 6.231 1.00 0.00 O ATOM 1380 CB CYS A 117 18.993 23.226 7.145 1.00 0.00 C ATOM 1381 SG CYS A 117 20.370 23.144 8.311 1.00 0.00 S ATOM 0 H CYS A 117 20.385 25.184 7.694 1.00 0.00 H new ATOM 0 HA CYS A 117 19.787 23.983 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 117 18.059 23.394 7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 117 18.892 22.277 6.618 1.00 0.00 H new ATOM 0 HG CYS A 117 20.366 24.205 9.062 1.00 0.00 H new ATOM 1386 N GLN A 118 17.345 24.299 4.630 1.00 0.00 N ATOM 1387 CA GLN A 118 16.060 24.734 4.090 1.00 0.00 C ATOM 1388 C GLN A 118 15.041 24.927 5.206 1.00 0.00 C ATOM 1389 O GLN A 118 13.960 25.465 4.983 1.00 0.00 O ATOM 1390 CB GLN A 118 15.535 23.702 3.092 1.00 0.00 C ATOM 1391 CG GLN A 118 16.441 23.678 1.859 1.00 0.00 C ATOM 1392 CD GLN A 118 16.299 24.982 1.079 1.00 0.00 C ATOM 1393 OE1 GLN A 118 17.356 25.709 0.843 1.00 0.00 O flip ATOM 1394 NE2 GLN A 118 15.195 25.349 0.680 1.00 0.00 N flip ATOM 0 H GLN A 118 17.758 23.498 4.152 1.00 0.00 H new ATOM 0 HA GLN A 118 16.209 25.688 3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 118 15.506 22.715 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 118 14.514 23.948 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.478 23.538 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.179 22.833 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.370 24.779 0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.104 26.224 0.163 1.00 0.00 H new ATOM 1403 N ILE A 119 15.383 24.468 6.408 1.00 0.00 N ATOM 1404 CA ILE A 119 14.478 24.587 7.545 1.00 0.00 C ATOM 1405 C ILE A 119 14.697 25.904 8.285 1.00 0.00 C ATOM 1406 O ILE A 119 13.781 26.716 8.415 1.00 0.00 O ATOM 1407 CB ILE A 119 14.707 23.414 8.508 1.00 0.00 C ATOM 1408 CG1 ILE A 119 14.180 22.125 7.869 1.00 0.00 C ATOM 1409 CG2 ILE A 119 13.971 23.668 9.825 1.00 0.00 C ATOM 1410 CD1 ILE A 119 14.956 21.821 6.582 1.00 0.00 C ATOM 0 H ILE A 119 16.272 24.014 6.617 1.00 0.00 H new ATOM 0 HA ILE A 119 13.454 24.568 7.172 1.00 0.00 H new ATOM 0 HB ILE A 119 15.774 23.317 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 119 14.281 21.295 8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 119 13.118 22.228 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 119 14.139 22.831 10.503 1.00 0.00 H new ATOM 0 HG22 ILE A 119 14.346 24.584 10.281 1.00 0.00 H new ATOM 0 HG23 ILE A 119 12.903 23.770 9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.574 20.903 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.833 22.645 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 119 16.014 21.698 6.815 1.00 0.00 H new ATOM 1422 N CYS A 120 15.904 26.086 8.808 1.00 0.00 N ATOM 1423 CA CYS A 120 16.216 27.289 9.574 1.00 0.00 C ATOM 1424 C CYS A 120 16.029 28.539 8.725 1.00 0.00 C ATOM 1425 O CYS A 120 15.563 29.568 9.210 1.00 0.00 O ATOM 1426 CB CYS A 120 17.665 27.227 10.086 1.00 0.00 C ATOM 1427 SG CYS A 120 18.704 26.470 8.824 1.00 0.00 S ATOM 0 H CYS A 120 16.675 25.425 8.718 1.00 0.00 H new ATOM 0 HA CYS A 120 15.532 27.338 10.421 1.00 0.00 H new ATOM 0 HB2 CYS A 120 18.025 28.229 10.318 1.00 0.00 H new ATOM 0 HB3 CYS A 120 17.713 26.649 11.009 1.00 0.00 H new ATOM 0 HG CYS A 120 18.027 26.348 7.721 1.00 0.00 H new ATOM 1432 N VAL A 121 16.390 28.440 7.451 1.00 0.00 N ATOM 1433 CA VAL A 121 16.257 29.572 6.542 1.00 0.00 C ATOM 1434 C VAL A 121 14.792 29.833 6.210 1.00 0.00 C ATOM 1435 O VAL A 121 14.322 30.965 6.281 1.00 0.00 O ATOM 1436 CB VAL A 121 17.032 29.304 5.255 1.00 0.00 C ATOM 1437 CG1 VAL A 121 16.375 28.168 4.478 1.00 0.00 C ATOM 1438 CG2 VAL A 121 17.055 30.568 4.395 1.00 0.00 C ATOM 0 H VAL A 121 16.774 27.595 7.027 1.00 0.00 H new ATOM 0 HA VAL A 121 16.665 30.454 7.036 1.00 0.00 H new ATOM 0 HB VAL A 121 18.053 29.019 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 121 16.934 27.983 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 121 16.370 27.265 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.350 28.443 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 121 17.609 30.373 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 121 16.034 30.859 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 121 17.538 31.374 4.946 1.00 0.00 H new ATOM 1448 N HIS A 122 14.075 28.777 5.842 1.00 0.00 N ATOM 1449 CA HIS A 122 12.668 28.908 5.490 1.00 0.00 C ATOM 1450 C HIS A 122 11.853 29.348 6.696 1.00 0.00 C ATOM 1451 O HIS A 122 10.627 29.358 6.650 1.00 0.00 O ATOM 1452 CB HIS A 122 12.134 27.572 4.973 1.00 0.00 C ATOM 1453 CG HIS A 122 10.700 27.734 4.551 1.00 0.00 C ATOM 1454 ND1 HIS A 122 9.645 27.277 5.323 1.00 0.00 N ATOM 1455 CD2 HIS A 122 10.132 28.301 3.438 1.00 0.00 C ATOM 1456 CE1 HIS A 122 8.506 27.572 4.673 1.00 0.00 C ATOM 1457 NE2 HIS A 122 8.746 28.199 3.516 1.00 0.00 N ATOM 0 H HIS A 122 14.442 27.828 5.780 1.00 0.00 H new ATOM 0 HA HIS A 122 12.577 29.664 4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 122 12.735 27.229 4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 122 12.212 26.812 5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 122 10.677 28.757 2.625 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.519 27.332 5.040 1.00 0.00 H new ATOM 0 HE2 HIS A 122 8.061 28.531 2.837 1.00 0.00 H new