USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 532 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: B 11 CYS SG : rot 117:sc= -2.14! USER MOD Set 1.2: B 14 CYS SG : rot -110:sc= 0.92 USER MOD Set 1.3: B 27 HIS : no HD1:sc= -2.49 K(o=-2.2,f=-3!) USER MOD Set 1.4: B 32 CYS SG : rot 14:sc= 1.48 USER MOD Set 2.1: A 220 THR OG1 : rot 17:sc= 0.762 USER MOD Set 2.2: A 222 HIS : no HD1:sc= 1.07 K(o=2.5,f=-2.9!) USER MOD Set 2.3: A 232 HIS : no HE2:sc= 0.689 K(o=2.5,f=-5.1!) USER MOD Set 2.4: B 30 TYR OH : rot -177:sc= 0.0229 USER MOD Set 3.1: A 204 CYS SG : rot 146:sc= 1.3 USER MOD Set 3.2: A 207 CYS SG : rot -38:sc= 1.62 USER MOD Set 3.3: A 225 CYS SG : rot -130:sc= 2.29 USER MOD Set 3.4: A 228 CYS SG : rot 78:sc= 0.735 USER MOD Single : A 206 ASN : amide:sc= -0.728 K(o=-0.73,f=-2.3!) USER MOD Single : A 210 THR OG1 : rot -47:sc= -0.298 USER MOD Single : A 212 THR OG1 : rot -111:sc= 0.788 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.44 USER MOD Single : A 226 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= 1.5 K(o=1.5,f=-2.1!) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -108:sc= 0.96 USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -0.0884 (180deg=-0.48) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 104:sc= 1.72 USER MOD Single : B 22 SER OG : rot 180:sc= 0.00981 USER MOD Single : B 23 THR OG1 : rot -168:sc= 0.118 USER MOD Single : B 28 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -0.759 14.618 2.847 1.00 1.00 N ATOM 2 CA GLU A 200 -2.129 14.378 2.340 1.00 1.00 C ATOM 3 C GLU A 200 -2.879 13.443 3.278 1.00 1.00 C ATOM 4 O GLU A 200 -2.402 13.144 4.374 1.00 1.00 O ATOM 5 CB GLU A 200 -2.074 13.779 0.928 1.00 1.00 C ATOM 6 CG GLU A 200 -1.428 14.699 -0.094 1.00 1.00 C ATOM 7 CD GLU A 200 -1.887 16.132 0.056 1.00 1.00 C ATOM 8 OE1 GLU A 200 -2.973 16.473 -0.454 1.00 1.00 O ATOM 9 OE2 GLU A 200 -1.172 16.921 0.704 1.00 1.00 O ATOM 0 HA GLU A 200 -2.658 15.330 2.296 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -1.521 12.840 0.961 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -3.087 13.541 0.603 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -0.344 14.653 0.013 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.665 14.347 -1.098 1.00 1.00 H new ATOM 16 N ALA A 201 -4.054 12.994 2.855 1.00 1.00 N ATOM 17 CA ALA A 201 -4.861 12.092 3.661 1.00 1.00 C ATOM 18 C ALA A 201 -4.128 10.778 3.884 1.00 1.00 C ATOM 19 O ALA A 201 -3.787 10.436 5.016 1.00 1.00 O ATOM 20 CB ALA A 201 -6.209 11.849 3.003 1.00 1.00 C ATOM 0 H ALA A 201 -4.468 13.241 1.956 1.00 1.00 H new ATOM 0 HA ALA A 201 -5.034 12.558 4.631 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.799 11.172 3.621 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -6.738 12.796 2.896 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -6.059 11.405 2.019 1.00 1.00 H new ATOM 26 N ARG A 202 -3.866 10.058 2.802 1.00 1.00 N ATOM 27 CA ARG A 202 -3.162 8.787 2.879 1.00 1.00 C ATOM 28 C ARG A 202 -2.750 8.335 1.485 1.00 1.00 C ATOM 29 O ARG A 202 -3.170 8.916 0.488 1.00 1.00 O ATOM 30 CB ARG A 202 -4.039 7.718 3.550 1.00 1.00 C ATOM 31 CG ARG A 202 -3.254 6.530 4.090 1.00 1.00 C ATOM 32 CD ARG A 202 -2.723 6.776 5.496 1.00 1.00 C ATOM 33 NE ARG A 202 -2.435 8.185 5.748 1.00 1.00 N ATOM 34 CZ ARG A 202 -1.292 8.640 6.260 1.00 1.00 C ATOM 35 NH1 ARG A 202 -0.283 7.815 6.517 1.00 1.00 N ATOM 36 NH2 ARG A 202 -1.144 9.934 6.488 1.00 1.00 N ATOM 0 H ARG A 202 -4.132 10.335 1.857 1.00 1.00 H new ATOM 0 HA ARG A 202 -2.267 8.923 3.486 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -4.594 8.177 4.368 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.774 7.359 2.829 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.894 5.647 4.095 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.420 6.315 3.422 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -3.454 6.422 6.224 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -1.816 6.191 5.645 1.00 1.00 H new ATOM 0 HE ARG A 202 -3.157 8.867 5.517 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -0.377 6.818 6.322 1.00 1.00 H new ATOM 0 HH12 ARG A 202 0.586 8.178 6.909 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.903 10.580 6.272 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.271 10.286 6.880 1.00 1.00 H new ATOM 50 N GLU A 203 -1.916 7.316 1.427 1.00 1.00 N ATOM 51 CA GLU A 203 -1.443 6.776 0.168 1.00 1.00 C ATOM 52 C GLU A 203 -1.925 5.341 -0.006 1.00 1.00 C ATOM 53 O GLU A 203 -1.842 4.541 0.923 1.00 1.00 O ATOM 54 CB GLU A 203 0.090 6.813 0.111 1.00 1.00 C ATOM 55 CG GLU A 203 0.756 7.471 1.319 1.00 1.00 C ATOM 56 CD GLU A 203 0.819 6.566 2.538 1.00 1.00 C ATOM 57 OE1 GLU A 203 -0.131 6.573 3.342 1.00 1.00 O ATOM 58 OE2 GLU A 203 1.839 5.867 2.713 1.00 1.00 O ATOM 0 H GLU A 203 -1.547 6.839 2.250 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.844 7.389 -0.639 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.462 5.793 0.019 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.394 7.346 -0.790 1.00 1.00 H new ATOM 0 HG2 GLU A 203 1.767 7.774 1.047 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.210 8.378 1.577 1.00 1.00 H new ATOM 65 N CYS A 204 -2.445 5.022 -1.185 1.00 1.00 N ATOM 66 CA CYS A 204 -2.909 3.674 -1.455 1.00 1.00 C ATOM 67 C CYS A 204 -1.727 2.802 -1.855 1.00 1.00 C ATOM 68 O CYS A 204 -0.675 3.299 -2.266 1.00 1.00 O ATOM 69 CB CYS A 204 -3.982 3.659 -2.551 1.00 1.00 C ATOM 70 SG CYS A 204 -4.657 2.000 -2.925 1.00 1.00 S ATOM 0 H CYS A 204 -2.554 5.675 -1.961 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.364 3.277 -0.548 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.801 4.312 -2.249 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.558 4.080 -3.463 1.00 1.00 H new ATOM 0 HG CYS A 204 -5.914 2.104 -3.240 1.00 1.00 H new ATOM 75 N VAL A 205 -1.913 1.504 -1.750 1.00 1.00 N ATOM 76 CA VAL A 205 -0.868 0.553 -2.079 1.00 1.00 C ATOM 77 C VAL A 205 -1.009 0.070 -3.515 1.00 1.00 C ATOM 78 O VAL A 205 -0.083 -0.518 -4.082 1.00 1.00 O ATOM 79 CB VAL A 205 -0.913 -0.665 -1.135 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.948 -0.221 0.320 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.109 -1.553 -1.456 1.00 1.00 C ATOM 0 H VAL A 205 -2.785 1.078 -1.437 1.00 1.00 H new ATOM 0 HA VAL A 205 0.087 1.065 -1.960 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.005 -1.247 -1.290 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.979 -1.097 0.967 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.055 0.363 0.544 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -1.834 0.390 0.493 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -2.121 -2.406 -0.778 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.029 -0.981 -1.336 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.033 -1.908 -2.484 1.00 1.00 H new ATOM 91 N ASN A 206 -2.169 0.324 -4.103 1.00 1.00 N ATOM 92 CA ASN A 206 -2.432 -0.119 -5.463 1.00 1.00 C ATOM 93 C ASN A 206 -2.523 1.046 -6.435 1.00 1.00 C ATOM 94 O ASN A 206 -2.587 0.838 -7.647 1.00 1.00 O ATOM 95 CB ASN A 206 -3.717 -0.944 -5.513 1.00 1.00 C ATOM 96 CG ASN A 206 -3.452 -2.426 -5.678 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.425 -2.945 -6.795 1.00 1.00 O ATOM 98 ND2 ASN A 206 -3.241 -3.124 -4.569 1.00 1.00 N ATOM 0 H ASN A 206 -2.937 0.831 -3.663 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.590 -0.740 -5.770 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.285 -0.780 -4.597 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.336 -0.595 -6.339 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -3.049 -4.124 -4.625 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.271 -2.660 -3.661 1.00 1.00 H new ATOM 105 N CYS A 207 -2.539 2.268 -5.917 1.00 1.00 N ATOM 106 CA CYS A 207 -2.606 3.442 -6.775 1.00 1.00 C ATOM 107 C CYS A 207 -1.967 4.658 -6.112 1.00 1.00 C ATOM 108 O CYS A 207 -0.970 5.195 -6.598 1.00 1.00 O ATOM 109 CB CYS A 207 -4.058 3.752 -7.160 1.00 1.00 C ATOM 110 SG CYS A 207 -5.221 3.848 -5.758 1.00 1.00 S ATOM 0 H CYS A 207 -2.507 2.470 -4.918 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.042 3.216 -7.680 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.081 4.700 -7.698 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.407 2.985 -7.851 1.00 1.00 H new ATOM 0 HG CYS A 207 -4.922 2.934 -4.883 1.00 1.00 H new ATOM 115 N GLY A 208 -2.551 5.086 -5.008 1.00 1.00 N ATOM 116 CA GLY A 208 -2.048 6.244 -4.296 1.00 1.00 C ATOM 117 C GLY A 208 -3.032 7.392 -4.349 1.00 1.00 C ATOM 118 O GLY A 208 -2.678 8.542 -4.086 1.00 1.00 O ATOM 0 H GLY A 208 -3.371 4.650 -4.587 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.852 5.978 -3.257 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -1.098 6.556 -4.730 1.00 1.00 H new ATOM 122 N ALA A 209 -4.271 7.072 -4.698 1.00 1.00 N ATOM 123 CA ALA A 209 -5.330 8.067 -4.795 1.00 1.00 C ATOM 124 C ALA A 209 -5.765 8.546 -3.415 1.00 1.00 C ATOM 125 O ALA A 209 -6.468 7.843 -2.693 1.00 1.00 O ATOM 126 CB ALA A 209 -6.519 7.496 -5.552 1.00 1.00 C ATOM 0 H ALA A 209 -4.569 6.122 -4.920 1.00 1.00 H new ATOM 0 HA ALA A 209 -4.938 8.925 -5.342 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -7.304 8.249 -5.618 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -6.207 7.208 -6.556 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -6.899 6.621 -5.025 1.00 1.00 H new ATOM 132 N THR A 210 -5.368 9.757 -3.065 1.00 1.00 N ATOM 133 CA THR A 210 -5.705 10.331 -1.773 1.00 1.00 C ATOM 134 C THR A 210 -6.931 11.240 -1.893 1.00 1.00 C ATOM 135 O THR A 210 -7.183 12.100 -1.044 1.00 1.00 O ATOM 136 CB THR A 210 -4.499 11.111 -1.194 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.755 11.522 0.157 1.00 1.00 O ATOM 138 CG2 THR A 210 -4.164 12.325 -2.051 1.00 1.00 C ATOM 0 H THR A 210 -4.808 10.366 -3.662 1.00 1.00 H new ATOM 0 HA THR A 210 -5.947 9.519 -1.087 1.00 1.00 H new ATOM 0 HB THR A 210 -3.642 10.437 -1.200 1.00 1.00 H new ATOM 0 HG1 THR A 210 -5.647 11.924 0.213 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.313 12.852 -1.619 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.914 12.000 -3.061 1.00 1.00 H new ATOM 0 HG23 THR A 210 -5.024 12.993 -2.087 1.00 1.00 H new ATOM 146 N ALA A 211 -7.700 11.034 -2.954 1.00 1.00 N ATOM 147 CA ALA A 211 -8.896 11.829 -3.195 1.00 1.00 C ATOM 148 C ALA A 211 -10.161 10.996 -3.019 1.00 1.00 C ATOM 149 O ALA A 211 -11.261 11.450 -3.333 1.00 1.00 O ATOM 150 CB ALA A 211 -8.852 12.440 -4.586 1.00 1.00 C ATOM 0 H ALA A 211 -7.516 10.323 -3.662 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.920 12.631 -2.458 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.752 13.031 -4.752 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.975 13.081 -4.674 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.797 11.646 -5.331 1.00 1.00 H new ATOM 156 N THR A 212 -10.001 9.780 -2.503 1.00 1.00 N ATOM 157 CA THR A 212 -11.134 8.890 -2.281 1.00 1.00 C ATOM 158 C THR A 212 -12.095 9.503 -1.265 1.00 1.00 C ATOM 159 O THR A 212 -11.663 10.092 -0.271 1.00 1.00 O ATOM 160 CB THR A 212 -10.674 7.492 -1.800 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.803 6.682 -1.442 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.733 7.601 -0.612 1.00 1.00 C ATOM 0 H THR A 212 -9.098 9.390 -2.232 1.00 1.00 H new ATOM 0 HA THR A 212 -11.649 8.764 -3.234 1.00 1.00 H new ATOM 0 HB THR A 212 -10.141 7.022 -2.626 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.808 6.538 -0.473 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.427 6.603 -0.297 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.853 8.177 -0.897 1.00 1.00 H new ATOM 0 HG23 THR A 212 -10.243 8.101 0.211 1.00 1.00 H new ATOM 170 N PRO A 213 -13.410 9.396 -1.522 1.00 1.00 N ATOM 171 CA PRO A 213 -14.451 9.946 -0.645 1.00 1.00 C ATOM 172 C PRO A 213 -14.342 9.448 0.793 1.00 1.00 C ATOM 173 O PRO A 213 -14.717 10.149 1.736 1.00 1.00 O ATOM 174 CB PRO A 213 -15.763 9.458 -1.277 1.00 1.00 C ATOM 175 CG PRO A 213 -15.372 8.394 -2.246 1.00 1.00 C ATOM 176 CD PRO A 213 -13.988 8.740 -2.702 1.00 1.00 C ATOM 0 HA PRO A 213 -14.373 11.031 -0.574 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -16.441 9.067 -0.519 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -16.283 10.274 -1.780 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.394 7.411 -1.776 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -16.063 8.360 -3.088 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.423 7.853 -2.989 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -14.001 9.403 -3.567 1.00 1.00 H new ATOM 184 N LEU A 214 -13.825 8.239 0.956 1.00 1.00 N ATOM 185 CA LEU A 214 -13.662 7.645 2.271 1.00 1.00 C ATOM 186 C LEU A 214 -12.544 6.614 2.242 1.00 1.00 C ATOM 187 O LEU A 214 -12.364 5.920 1.244 1.00 1.00 O ATOM 188 CB LEU A 214 -14.966 6.989 2.733 1.00 1.00 C ATOM 189 CG LEU A 214 -14.964 6.501 4.184 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.826 7.674 5.141 1.00 1.00 C ATOM 191 CD2 LEU A 214 -16.226 5.711 4.486 1.00 1.00 C ATOM 0 H LEU A 214 -13.510 7.648 0.187 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.403 8.435 2.976 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.780 7.703 2.606 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -15.181 6.143 2.081 1.00 1.00 H new ATOM 0 HG LEU A 214 -14.107 5.842 4.322 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -14.827 7.308 6.168 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -13.891 8.197 4.943 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.662 8.359 5.000 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -16.205 5.373 5.522 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -17.099 6.345 4.329 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -16.282 4.847 3.824 1.00 1.00 H new ATOM 203 N TRP A 215 -11.791 6.524 3.322 1.00 1.00 N ATOM 204 CA TRP A 215 -10.699 5.570 3.402 1.00 1.00 C ATOM 205 C TRP A 215 -11.174 4.274 4.033 1.00 1.00 C ATOM 206 O TRP A 215 -11.717 4.271 5.139 1.00 1.00 O ATOM 207 CB TRP A 215 -9.533 6.160 4.193 1.00 1.00 C ATOM 208 CG TRP A 215 -8.773 7.186 3.418 1.00 1.00 C ATOM 209 CD1 TRP A 215 -8.889 8.541 3.512 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.792 6.935 2.407 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.037 9.147 2.622 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.351 8.182 1.934 1.00 1.00 C ATOM 213 CE3 TRP A 215 -7.239 5.774 1.863 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.388 8.301 0.937 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -6.285 5.893 0.872 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.866 7.148 0.421 1.00 1.00 C ATOM 0 H TRP A 215 -11.914 7.099 4.156 1.00 1.00 H new ATOM 0 HA TRP A 215 -10.352 5.352 2.392 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.912 6.610 5.110 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.856 5.358 4.488 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.553 9.061 4.187 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -7.932 10.153 2.494 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -7.552 4.801 2.211 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -6.065 9.269 0.584 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.856 5.002 0.438 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -5.114 7.208 -0.352 1.00 1.00 H new ATOM 227 N ARG A 216 -10.982 3.179 3.317 1.00 1.00 N ATOM 228 CA ARG A 216 -11.404 1.875 3.793 1.00 1.00 C ATOM 229 C ARG A 216 -10.227 1.116 4.389 1.00 1.00 C ATOM 230 O ARG A 216 -9.136 1.086 3.816 1.00 1.00 O ATOM 231 CB ARG A 216 -12.032 1.059 2.656 1.00 1.00 C ATOM 232 CG ARG A 216 -13.486 1.413 2.370 1.00 1.00 C ATOM 233 CD ARG A 216 -13.607 2.670 1.525 1.00 1.00 C ATOM 234 NE ARG A 216 -15.000 3.039 1.284 1.00 1.00 N ATOM 235 CZ ARG A 216 -15.381 4.001 0.443 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.473 4.685 -0.247 1.00 1.00 N ATOM 237 NH2 ARG A 216 -16.671 4.277 0.291 1.00 1.00 N ATOM 0 H ARG A 216 -10.535 3.169 2.400 1.00 1.00 H new ATOM 0 HA ARG A 216 -12.154 2.026 4.569 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.447 1.209 1.749 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -11.969 -0.000 2.905 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -13.968 0.582 1.855 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -14.017 1.556 3.311 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -13.096 3.493 2.025 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.103 2.515 0.571 1.00 1.00 H new ATOM 0 HE ARG A 216 -15.725 2.530 1.790 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.481 4.474 -0.134 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.768 5.420 -0.889 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -17.370 3.753 0.818 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -16.963 5.013 -0.352 1.00 1.00 H new ATOM 251 N ARG A 217 -10.449 0.524 5.553 1.00 1.00 N ATOM 252 CA ARG A 217 -9.415 -0.247 6.221 1.00 1.00 C ATOM 253 C ARG A 217 -9.605 -1.719 5.908 1.00 1.00 C ATOM 254 O ARG A 217 -10.622 -2.317 6.272 1.00 1.00 O ATOM 255 CB ARG A 217 -9.441 -0.014 7.734 1.00 1.00 C ATOM 256 CG ARG A 217 -9.007 1.381 8.143 1.00 1.00 C ATOM 257 CD ARG A 217 -10.191 2.327 8.249 1.00 1.00 C ATOM 258 NE ARG A 217 -11.093 1.946 9.333 1.00 1.00 N ATOM 259 CZ ARG A 217 -11.064 2.487 10.548 1.00 1.00 C ATOM 260 NH1 ARG A 217 -10.228 3.486 10.822 1.00 1.00 N ATOM 261 NH2 ARG A 217 -11.887 2.040 11.487 1.00 1.00 N ATOM 0 H ARG A 217 -11.337 0.564 6.054 1.00 1.00 H new ATOM 0 HA ARG A 217 -8.442 0.080 5.854 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -10.451 -0.194 8.103 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -8.791 -0.744 8.216 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -8.490 1.335 9.102 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.295 1.769 7.415 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.831 3.342 8.415 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.738 2.333 7.306 1.00 1.00 H new ATOM 0 HE ARG A 217 -11.787 1.222 9.147 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -9.604 3.842 10.098 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -10.212 3.896 11.756 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -12.539 1.284 11.276 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -11.868 2.452 12.420 1.00 1.00 H new ATOM 275 N ASP A 218 -8.633 -2.295 5.225 1.00 1.00 N ATOM 276 CA ASP A 218 -8.700 -3.695 4.838 1.00 1.00 C ATOM 277 C ASP A 218 -8.310 -4.611 6.002 1.00 1.00 C ATOM 278 O ASP A 218 -8.060 -4.146 7.117 1.00 1.00 O ATOM 279 CB ASP A 218 -7.809 -3.946 3.619 1.00 1.00 C ATOM 280 CG ASP A 218 -6.439 -4.457 3.994 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.620 -3.674 4.505 1.00 1.00 O ATOM 282 OD2 ASP A 218 -6.184 -5.658 3.798 1.00 1.00 O ATOM 0 H ASP A 218 -7.785 -1.815 4.925 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.730 -3.929 4.570 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -8.294 -4.668 2.962 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.705 -3.020 3.054 1.00 1.00 H new ATOM 287 N ARG A 219 -8.260 -5.911 5.732 1.00 1.00 N ATOM 288 CA ARG A 219 -7.927 -6.909 6.742 1.00 1.00 C ATOM 289 C ARG A 219 -6.496 -6.759 7.258 1.00 1.00 C ATOM 290 O ARG A 219 -6.235 -6.978 8.441 1.00 1.00 O ATOM 291 CB ARG A 219 -8.124 -8.310 6.169 1.00 1.00 C ATOM 292 CG ARG A 219 -8.227 -9.392 7.230 1.00 1.00 C ATOM 293 CD ARG A 219 -9.342 -10.367 6.906 1.00 1.00 C ATOM 294 NE ARG A 219 -10.618 -9.679 6.695 1.00 1.00 N ATOM 295 CZ ARG A 219 -11.626 -10.176 5.982 1.00 1.00 C ATOM 296 NH1 ARG A 219 -11.528 -11.380 5.427 1.00 1.00 N ATOM 297 NH2 ARG A 219 -12.737 -9.468 5.836 1.00 1.00 N ATOM 0 H ARG A 219 -8.449 -6.302 4.809 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.597 -6.752 7.587 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -9.029 -8.321 5.562 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -7.292 -8.542 5.505 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.280 -9.927 7.301 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.409 -8.936 8.203 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.082 -10.934 6.012 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.446 -11.085 7.720 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.742 -8.761 7.122 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.677 -11.929 5.546 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -12.304 -11.755 4.882 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -12.816 -8.548 6.269 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -13.513 -9.843 5.291 1.00 1.00 H new ATOM 311 N THR A 220 -5.573 -6.375 6.381 1.00 1.00 N ATOM 312 CA THR A 220 -4.177 -6.214 6.778 1.00 1.00 C ATOM 313 C THR A 220 -3.945 -4.881 7.490 1.00 1.00 C ATOM 314 O THR A 220 -2.813 -4.538 7.839 1.00 1.00 O ATOM 315 CB THR A 220 -3.213 -6.338 5.576 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.572 -5.422 4.530 1.00 1.00 O ATOM 317 CG2 THR A 220 -3.215 -7.757 5.028 1.00 1.00 C ATOM 0 H THR A 220 -5.763 -6.171 5.400 1.00 1.00 H new ATOM 0 HA THR A 220 -3.962 -7.025 7.473 1.00 1.00 H new ATOM 0 HB THR A 220 -2.212 -6.092 5.932 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.173 -4.736 4.888 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.530 -7.822 4.183 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.896 -8.449 5.808 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.221 -8.019 4.700 1.00 1.00 H new ATOM 325 N GLY A 221 -5.024 -4.135 7.700 1.00 1.00 N ATOM 326 CA GLY A 221 -4.931 -2.861 8.384 1.00 1.00 C ATOM 327 C GLY A 221 -4.335 -1.769 7.526 1.00 1.00 C ATOM 328 O GLY A 221 -3.677 -0.862 8.037 1.00 1.00 O ATOM 0 H GLY A 221 -5.966 -4.393 7.406 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -5.926 -2.557 8.709 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -4.325 -2.981 9.282 1.00 1.00 H new ATOM 332 N HIS A 222 -4.551 -1.851 6.222 1.00 1.00 N ATOM 333 CA HIS A 222 -4.029 -0.846 5.309 1.00 1.00 C ATOM 334 C HIS A 222 -5.127 0.139 4.939 1.00 1.00 C ATOM 335 O HIS A 222 -6.307 -0.218 4.911 1.00 1.00 O ATOM 336 CB HIS A 222 -3.485 -1.485 4.025 1.00 1.00 C ATOM 337 CG HIS A 222 -2.314 -2.400 4.213 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.783 -3.141 3.180 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.570 -2.700 5.306 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.769 -3.854 3.628 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.618 -3.603 4.909 1.00 1.00 N ATOM 0 H HIS A 222 -5.081 -2.599 5.774 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.214 -0.330 5.817 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.290 -2.045 3.548 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.198 -0.690 3.337 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.702 -2.303 6.301 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.165 -4.530 3.042 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.094 -4.015 5.512 1.00 1.00 H new ATOM 350 N TYR A 223 -4.737 1.374 4.662 1.00 1.00 N ATOM 351 CA TYR A 223 -5.682 2.406 4.269 1.00 1.00 C ATOM 352 C TYR A 223 -5.742 2.475 2.756 1.00 1.00 C ATOM 353 O TYR A 223 -4.790 2.908 2.110 1.00 1.00 O ATOM 354 CB TYR A 223 -5.274 3.758 4.852 1.00 1.00 C ATOM 355 CG TYR A 223 -5.985 4.089 6.140 1.00 1.00 C ATOM 356 CD1 TYR A 223 -5.683 3.421 7.319 1.00 1.00 C ATOM 357 CD2 TYR A 223 -6.970 5.064 6.172 1.00 1.00 C ATOM 358 CE1 TYR A 223 -6.343 3.719 8.494 1.00 1.00 C ATOM 359 CE2 TYR A 223 -7.637 5.367 7.341 1.00 1.00 C ATOM 360 CZ TYR A 223 -7.321 4.693 8.501 1.00 1.00 C ATOM 361 OH TYR A 223 -7.991 4.983 9.668 1.00 1.00 O ATOM 0 H TYR A 223 -3.767 1.686 4.703 1.00 1.00 H new ATOM 0 HA TYR A 223 -6.669 2.158 4.658 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -4.198 3.761 5.027 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -5.480 4.539 4.120 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.920 2.657 7.317 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -7.220 5.596 5.266 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.095 3.192 9.404 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -8.403 6.128 7.347 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.646 5.693 9.501 1.00 1.00 H new ATOM 371 N LEU A 224 -6.847 2.019 2.193 1.00 1.00 N ATOM 372 CA LEU A 224 -7.006 2.010 0.750 1.00 1.00 C ATOM 373 C LEU A 224 -8.209 2.845 0.323 1.00 1.00 C ATOM 374 O LEU A 224 -9.085 3.153 1.141 1.00 1.00 O ATOM 375 CB LEU A 224 -7.138 0.568 0.257 1.00 1.00 C ATOM 376 CG LEU A 224 -6.019 -0.373 0.720 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.374 -1.824 0.439 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.705 -0.007 0.053 1.00 1.00 C ATOM 0 H LEU A 224 -7.645 1.651 2.711 1.00 1.00 H new ATOM 0 HA LEU A 224 -6.122 2.459 0.298 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -8.094 0.168 0.596 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.163 0.572 -0.833 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.905 -0.257 1.798 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.563 -2.469 0.777 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.290 -2.084 0.970 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.524 -1.961 -0.632 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.923 -0.685 0.394 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.811 -0.089 -1.029 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.437 1.017 0.315 1.00 1.00 H new ATOM 390 N CYS A 225 -8.238 3.206 -0.958 1.00 1.00 N ATOM 391 CA CYS A 225 -9.299 4.025 -1.526 1.00 1.00 C ATOM 392 C CYS A 225 -10.669 3.361 -1.385 1.00 1.00 C ATOM 393 O CYS A 225 -11.450 3.691 -0.490 1.00 1.00 O ATOM 394 CB CYS A 225 -8.995 4.275 -3.001 1.00 1.00 C ATOM 395 SG CYS A 225 -8.418 2.788 -3.889 1.00 1.00 S ATOM 0 H CYS A 225 -7.521 2.936 -1.632 1.00 1.00 H new ATOM 0 HA CYS A 225 -9.335 4.967 -0.979 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -9.893 4.654 -3.489 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -8.236 5.053 -3.080 1.00 1.00 H new ATOM 0 HG CYS A 225 -7.334 3.070 -4.549 1.00 1.00 H new ATOM 400 N ASN A 226 -10.955 2.442 -2.294 1.00 1.00 N ATOM 401 CA ASN A 226 -12.219 1.717 -2.293 1.00 1.00 C ATOM 402 C ASN A 226 -12.100 0.448 -3.122 1.00 1.00 C ATOM 403 O ASN A 226 -12.376 -0.645 -2.636 1.00 1.00 O ATOM 404 CB ASN A 226 -13.353 2.583 -2.847 1.00 1.00 C ATOM 405 CG ASN A 226 -14.701 1.890 -2.754 1.00 1.00 C ATOM 406 OD1 ASN A 226 -15.001 1.215 -1.769 1.00 1.00 O ATOM 407 ND2 ASN A 226 -15.516 2.039 -3.783 1.00 1.00 N ATOM 0 H ASN A 226 -10.323 2.178 -3.050 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.452 1.457 -1.260 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -13.391 3.524 -2.298 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.144 2.830 -3.888 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -16.430 1.586 -3.779 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -15.231 2.607 -4.581 1.00 1.00 H new ATOM 414 N ALA A 227 -11.674 0.600 -4.373 1.00 1.00 N ATOM 415 CA ALA A 227 -11.517 -0.538 -5.271 1.00 1.00 C ATOM 416 C ALA A 227 -10.484 -1.514 -4.721 1.00 1.00 C ATOM 417 O ALA A 227 -10.779 -2.691 -4.492 1.00 1.00 O ATOM 418 CB ALA A 227 -11.119 -0.063 -6.661 1.00 1.00 C ATOM 0 H ALA A 227 -11.432 1.500 -4.787 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.473 -1.057 -5.344 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.005 -0.923 -7.321 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.892 0.597 -7.055 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.174 0.478 -6.604 1.00 1.00 H new ATOM 424 N CYS A 228 -9.276 -1.012 -4.501 1.00 1.00 N ATOM 425 CA CYS A 228 -8.200 -1.821 -3.959 1.00 1.00 C ATOM 426 C CYS A 228 -8.528 -2.245 -2.527 1.00 1.00 C ATOM 427 O CYS A 228 -8.133 -3.325 -2.074 1.00 1.00 O ATOM 428 CB CYS A 228 -6.902 -1.017 -4.000 1.00 1.00 C ATOM 429 SG CYS A 228 -6.830 0.189 -5.371 1.00 1.00 S ATOM 0 H CYS A 228 -9.019 -0.043 -4.692 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.081 -2.723 -4.559 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.783 -0.487 -3.055 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.061 -1.705 -4.088 1.00 1.00 H new ATOM 0 HG CYS A 228 -7.548 1.230 -5.071 1.00 1.00 H new ATOM 434 N GLY A 229 -9.274 -1.389 -1.835 1.00 1.00 N ATOM 435 CA GLY A 229 -9.659 -1.660 -0.464 1.00 1.00 C ATOM 436 C GLY A 229 -10.597 -2.842 -0.349 1.00 1.00 C ATOM 437 O GLY A 229 -10.350 -3.767 0.429 1.00 1.00 O ATOM 0 H GLY A 229 -9.621 -0.504 -2.205 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.765 -1.850 0.130 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.139 -0.777 -0.043 1.00 1.00 H new ATOM 441 N LEU A 230 -11.671 -2.822 -1.130 1.00 1.00 N ATOM 442 CA LEU A 230 -12.649 -3.900 -1.114 1.00 1.00 C ATOM 443 C LEU A 230 -12.023 -5.205 -1.582 1.00 1.00 C ATOM 444 O LEU A 230 -12.286 -6.265 -1.016 1.00 1.00 O ATOM 445 CB LEU A 230 -13.851 -3.553 -1.994 1.00 1.00 C ATOM 446 CG LEU A 230 -14.850 -2.577 -1.369 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.959 -2.247 -2.354 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.433 -3.161 -0.092 1.00 1.00 C ATOM 0 H LEU A 230 -11.886 -2.069 -1.783 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.991 -4.026 -0.087 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.487 -3.127 -2.929 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.376 -4.475 -2.246 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.323 -1.656 -1.121 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.660 -1.552 -1.893 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.530 -1.791 -3.246 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.484 -3.161 -2.631 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.142 -2.455 0.341 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.945 -4.096 -0.320 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.630 -3.352 0.620 1.00 1.00 H new ATOM 460 N TYR A 231 -11.184 -5.122 -2.608 1.00 1.00 N ATOM 461 CA TYR A 231 -10.522 -6.303 -3.144 1.00 1.00 C ATOM 462 C TYR A 231 -9.606 -6.937 -2.101 1.00 1.00 C ATOM 463 O TYR A 231 -9.622 -8.153 -1.907 1.00 1.00 O ATOM 464 CB TYR A 231 -9.723 -5.953 -4.403 1.00 1.00 C ATOM 465 CG TYR A 231 -9.041 -7.146 -5.036 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.757 -8.298 -5.343 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.682 -7.122 -5.328 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.140 -9.390 -5.919 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.057 -8.212 -5.907 1.00 1.00 C ATOM 470 CZ TYR A 231 -7.792 -9.344 -6.200 1.00 1.00 C ATOM 471 OH TYR A 231 -7.176 -10.434 -6.776 1.00 1.00 O ATOM 0 H TYR A 231 -10.947 -4.251 -3.084 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.294 -7.025 -3.410 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.392 -5.497 -5.133 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -8.970 -5.206 -4.150 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -10.814 -8.339 -5.127 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.105 -6.238 -5.099 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -9.712 -10.277 -6.149 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.001 -8.178 -6.129 1.00 1.00 H new ATOM 0 HH TYR A 231 -6.225 -10.239 -6.910 1.00 1.00 H new ATOM 481 N HIS A 232 -8.825 -6.113 -1.415 1.00 1.00 N ATOM 482 CA HIS A 232 -7.908 -6.622 -0.404 1.00 1.00 C ATOM 483 C HIS A 232 -8.668 -7.161 0.800 1.00 1.00 C ATOM 484 O HIS A 232 -8.277 -8.171 1.383 1.00 1.00 O ATOM 485 CB HIS A 232 -6.914 -5.550 0.036 1.00 1.00 C ATOM 486 CG HIS A 232 -5.556 -6.108 0.329 1.00 1.00 C ATOM 487 ND1 HIS A 232 -5.039 -6.218 1.597 1.00 1.00 N ATOM 488 CD2 HIS A 232 -4.610 -6.602 -0.500 1.00 1.00 C ATOM 489 CE1 HIS A 232 -3.838 -6.753 1.539 1.00 1.00 C ATOM 490 NE2 HIS A 232 -3.550 -7.001 0.277 1.00 1.00 N ATOM 0 H HIS A 232 -8.807 -5.101 -1.538 1.00 1.00 H new ATOM 0 HA HIS A 232 -7.348 -7.440 -0.856 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -6.831 -4.794 -0.745 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -7.296 -5.049 0.925 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -5.513 -5.929 2.453 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.675 -6.670 -1.576 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.196 -6.955 2.384 1.00 1.00 H new ATOM 499 N LYS A 233 -9.757 -6.496 1.168 1.00 1.00 N ATOM 500 CA LYS A 233 -10.561 -6.940 2.299 1.00 1.00 C ATOM 501 C LYS A 233 -11.262 -8.252 1.963 1.00 1.00 C ATOM 502 O LYS A 233 -11.415 -9.120 2.819 1.00 1.00 O ATOM 503 CB LYS A 233 -11.589 -5.880 2.696 1.00 1.00 C ATOM 504 CG LYS A 233 -12.166 -6.102 4.087 1.00 1.00 C ATOM 505 CD LYS A 233 -13.184 -5.036 4.457 1.00 1.00 C ATOM 506 CE LYS A 233 -14.542 -5.323 3.838 1.00 1.00 C ATOM 507 NZ LYS A 233 -15.585 -4.393 4.342 1.00 1.00 N ATOM 0 H LYS A 233 -10.101 -5.655 0.704 1.00 1.00 H new ATOM 0 HA LYS A 233 -9.894 -7.098 3.146 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.122 -4.896 2.655 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -12.400 -5.878 1.968 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -12.637 -7.084 4.132 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -11.358 -6.102 4.819 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -13.281 -4.985 5.541 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -12.829 -4.061 4.122 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -14.473 -5.238 2.754 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -14.833 -6.350 4.059 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -16.497 -4.620 3.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -15.669 -4.492 5.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -15.320 -3.415 4.109 1.00 1.00 H new ATOM 521 N MET A 234 -11.687 -8.386 0.709 1.00 1.00 N ATOM 522 CA MET A 234 -12.349 -9.601 0.251 1.00 1.00 C ATOM 523 C MET A 234 -11.346 -10.749 0.215 1.00 1.00 C ATOM 524 O MET A 234 -11.673 -11.890 0.541 1.00 1.00 O ATOM 525 CB MET A 234 -12.954 -9.390 -1.141 1.00 1.00 C ATOM 526 CG MET A 234 -13.560 -10.649 -1.740 1.00 1.00 C ATOM 527 SD MET A 234 -14.110 -10.420 -3.442 1.00 1.00 S ATOM 528 CE MET A 234 -14.613 -12.090 -3.849 1.00 1.00 C ATOM 0 H MET A 234 -11.584 -7.667 -0.007 1.00 1.00 H new ATOM 0 HA MET A 234 -13.154 -9.846 0.944 1.00 1.00 H new ATOM 0 HB2 MET A 234 -13.723 -8.620 -1.080 1.00 1.00 H new ATOM 0 HB3 MET A 234 -12.180 -9.015 -1.811 1.00 1.00 H new ATOM 0 HG2 MET A 234 -12.824 -11.452 -1.706 1.00 1.00 H new ATOM 0 HG3 MET A 234 -14.406 -10.965 -1.129 1.00 1.00 H new ATOM 0 HE1 MET A 234 -14.981 -12.120 -4.875 1.00 1.00 H new ATOM 0 HE2 MET A 234 -13.760 -12.761 -3.750 1.00 1.00 H new ATOM 0 HE3 MET A 234 -15.405 -12.407 -3.171 1.00 1.00 H new ATOM 538 N ASN A 235 -10.123 -10.426 -0.192 1.00 1.00 N ATOM 539 CA ASN A 235 -9.046 -11.409 -0.259 1.00 1.00 C ATOM 540 C ASN A 235 -8.678 -11.860 1.147 1.00 1.00 C ATOM 541 O ASN A 235 -8.510 -13.052 1.409 1.00 1.00 O ATOM 542 CB ASN A 235 -7.813 -10.815 -0.951 1.00 1.00 C ATOM 543 CG ASN A 235 -6.695 -11.830 -1.132 1.00 1.00 C ATOM 544 OD1 ASN A 235 -6.941 -13.011 -1.361 1.00 1.00 O ATOM 545 ND2 ASN A 235 -5.457 -11.374 -1.026 1.00 1.00 N ATOM 0 H ASN A 235 -9.851 -9.487 -0.482 1.00 1.00 H new ATOM 0 HA ASN A 235 -9.391 -12.265 -0.840 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -8.103 -10.422 -1.926 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -7.443 -9.974 -0.365 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -4.668 -12.011 -1.135 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -5.292 -10.386 -0.835 1.00 1.00 H new ATOM 552 N GLY A 236 -8.536 -10.892 2.046 1.00 1.00 N ATOM 553 CA GLY A 236 -8.201 -11.199 3.422 1.00 1.00 C ATOM 554 C GLY A 236 -6.710 -11.360 3.641 1.00 1.00 C ATOM 555 O GLY A 236 -6.205 -11.110 4.734 1.00 1.00 O ATOM 0 H GLY A 236 -8.647 -9.898 1.844 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -8.575 -10.405 4.068 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -8.709 -12.117 3.719 1.00 1.00 H new ATOM 559 N GLN A 237 -6.006 -11.775 2.599 1.00 1.00 N ATOM 560 CA GLN A 237 -4.570 -11.983 2.685 1.00 1.00 C ATOM 561 C GLN A 237 -3.803 -10.800 2.105 1.00 1.00 C ATOM 562 O GLN A 237 -4.382 -9.914 1.470 1.00 1.00 O ATOM 563 CB GLN A 237 -4.184 -13.274 1.961 1.00 1.00 C ATOM 564 CG GLN A 237 -4.901 -14.503 2.493 1.00 1.00 C ATOM 565 CD GLN A 237 -4.408 -15.786 1.857 1.00 1.00 C ATOM 566 OE1 GLN A 237 -4.910 -16.212 0.818 1.00 1.00 O ATOM 567 NE2 GLN A 237 -3.415 -16.408 2.470 1.00 1.00 N ATOM 0 H GLN A 237 -6.407 -11.974 1.683 1.00 1.00 H new ATOM 0 HA GLN A 237 -4.302 -12.070 3.738 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -4.404 -13.166 0.899 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -3.108 -13.424 2.050 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.763 -14.561 3.573 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -5.971 -14.401 2.314 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -3.025 -16.023 3.330 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -3.039 -17.273 2.083 1.00 1.00 H new ATOM 576 N ASN A 238 -2.497 -10.801 2.337 1.00 1.00 N ATOM 577 CA ASN A 238 -1.614 -9.743 1.864 1.00 1.00 C ATOM 578 C ASN A 238 -1.452 -9.817 0.353 1.00 1.00 C ATOM 579 O ASN A 238 -0.891 -10.817 -0.137 1.00 1.00 O ATOM 580 CB ASN A 238 -0.240 -9.857 2.537 1.00 1.00 C ATOM 581 CG ASN A 238 -0.333 -10.294 3.988 1.00 1.00 C ATOM 582 OD1 ASN A 238 -0.555 -11.470 4.278 1.00 1.00 O ATOM 583 ND2 ASN A 238 -0.143 -9.363 4.908 1.00 1.00 N ATOM 0 H ASN A 238 -2.020 -11.536 2.859 1.00 1.00 H new ATOM 0 HA ASN A 238 -2.061 -8.784 2.124 1.00 1.00 H new ATOM 0 HB2 ASN A 238 0.372 -10.571 1.985 1.00 1.00 H new ATOM 0 HB3 ASN A 238 0.267 -8.894 2.484 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -0.178 -9.609 5.897 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.038 -8.399 4.628 1.00 1.00 H new ATOM 591 N GLY B 1 18.264 -2.234 -0.981 1.00 1.00 N ATOM 592 CA GLY B 1 17.339 -1.491 -0.089 1.00 1.00 C ATOM 593 C GLY B 1 17.869 -1.401 1.324 1.00 1.00 C ATOM 594 O GLY B 1 17.367 -2.083 2.222 1.00 1.00 O ATOM 0 H1 GLY B 1 17.864 -2.273 -1.940 1.00 1.00 H new ATOM 0 H2 GLY B 1 19.184 -1.749 -1.009 1.00 1.00 H new ATOM 0 H3 GLY B 1 18.393 -3.201 -0.620 1.00 1.00 H new ATOM 0 HA2 GLY B 1 17.183 -0.487 -0.483 1.00 1.00 H new ATOM 0 HA3 GLY B 1 16.367 -1.985 -0.081 1.00 1.00 H new ATOM 600 N SER B 2 18.893 -0.562 1.510 1.00 1.00 N ATOM 601 CA SER B 2 19.530 -0.362 2.809 1.00 1.00 C ATOM 602 C SER B 2 20.258 -1.631 3.263 1.00 1.00 C ATOM 603 O SER B 2 20.256 -2.646 2.562 1.00 1.00 O ATOM 604 CB SER B 2 18.497 0.081 3.849 1.00 1.00 C ATOM 605 OG SER B 2 17.758 1.205 3.387 1.00 1.00 O ATOM 0 H SER B 2 19.302 -0.003 0.761 1.00 1.00 H new ATOM 0 HA SER B 2 20.273 0.429 2.708 1.00 1.00 H new ATOM 0 HB2 SER B 2 17.816 -0.743 4.064 1.00 1.00 H new ATOM 0 HB3 SER B 2 19.000 0.331 4.783 1.00 1.00 H new ATOM 0 HG SER B 2 18.031 2.003 3.886 1.00 1.00 H new ATOM 611 N LEU B 3 20.890 -1.574 4.425 1.00 1.00 N ATOM 612 CA LEU B 3 21.625 -2.720 4.939 1.00 1.00 C ATOM 613 C LEU B 3 20.940 -3.305 6.167 1.00 1.00 C ATOM 614 O LEU B 3 20.892 -2.667 7.222 1.00 1.00 O ATOM 615 CB LEU B 3 23.062 -2.320 5.278 1.00 1.00 C ATOM 616 CG LEU B 3 23.876 -1.777 4.102 1.00 1.00 C ATOM 617 CD1 LEU B 3 25.195 -1.198 4.583 1.00 1.00 C ATOM 618 CD2 LEU B 3 24.121 -2.867 3.070 1.00 1.00 C ATOM 0 H LEU B 3 20.909 -0.751 5.028 1.00 1.00 H new ATOM 0 HA LEU B 3 21.643 -3.485 4.163 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.037 -1.564 6.063 1.00 1.00 H new ATOM 0 HB3 LEU B 3 23.578 -3.188 5.688 1.00 1.00 H new ATOM 0 HG LEU B 3 23.301 -0.979 3.632 1.00 1.00 H new ATOM 0 HD11 LEU B 3 25.758 -0.818 3.731 1.00 1.00 H new ATOM 0 HD12 LEU B 3 25.002 -0.385 5.282 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.773 -1.976 5.082 1.00 1.00 H new ATOM 0 HD21 LEU B 3 24.701 -2.460 2.242 1.00 1.00 H new ATOM 0 HD22 LEU B 3 24.672 -3.687 3.531 1.00 1.00 H new ATOM 0 HD23 LEU B 3 23.166 -3.236 2.697 1.00 1.00 H new ATOM 630 N LEU B 4 20.406 -4.519 6.005 1.00 1.00 N ATOM 631 CA LEU B 4 19.713 -5.250 7.075 1.00 1.00 C ATOM 632 C LEU B 4 18.347 -4.639 7.379 1.00 1.00 C ATOM 633 O LEU B 4 17.318 -5.299 7.233 1.00 1.00 O ATOM 634 CB LEU B 4 20.559 -5.324 8.359 1.00 1.00 C ATOM 635 CG LEU B 4 21.540 -6.498 8.437 1.00 1.00 C ATOM 636 CD1 LEU B 4 20.808 -7.816 8.257 1.00 1.00 C ATOM 637 CD2 LEU B 4 22.638 -6.357 7.397 1.00 1.00 C ATOM 0 H LEU B 4 20.442 -5.028 5.122 1.00 1.00 H new ATOM 0 HA LEU B 4 19.562 -6.266 6.710 1.00 1.00 H new ATOM 0 HB2 LEU B 4 21.122 -4.396 8.456 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.885 -5.379 9.214 1.00 1.00 H new ATOM 0 HG LEU B 4 22.002 -6.488 9.424 1.00 1.00 H new ATOM 0 HD11 LEU B 4 21.521 -8.639 8.315 1.00 1.00 H new ATOM 0 HD12 LEU B 4 20.060 -7.927 9.042 1.00 1.00 H new ATOM 0 HD13 LEU B 4 20.317 -7.830 7.284 1.00 1.00 H new ATOM 0 HD21 LEU B 4 23.322 -7.203 7.473 1.00 1.00 H new ATOM 0 HD22 LEU B 4 22.195 -6.336 6.401 1.00 1.00 H new ATOM 0 HD23 LEU B 4 23.186 -5.431 7.570 1.00 1.00 H new ATOM 649 N LYS B 5 18.342 -3.385 7.801 1.00 1.00 N ATOM 650 CA LYS B 5 17.106 -2.687 8.116 1.00 1.00 C ATOM 651 C LYS B 5 16.805 -1.657 7.038 1.00 1.00 C ATOM 652 O LYS B 5 17.468 -0.622 6.961 1.00 1.00 O ATOM 653 CB LYS B 5 17.203 -2.003 9.482 1.00 1.00 C ATOM 654 CG LYS B 5 17.277 -2.976 10.648 1.00 1.00 C ATOM 655 CD LYS B 5 17.281 -2.253 11.987 1.00 1.00 C ATOM 656 CE LYS B 5 15.916 -1.664 12.317 1.00 1.00 C ATOM 657 NZ LYS B 5 14.864 -2.713 12.404 1.00 1.00 N ATOM 0 H LYS B 5 19.185 -2.827 7.934 1.00 1.00 H new ATOM 0 HA LYS B 5 16.296 -3.416 8.153 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.086 -1.364 9.497 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.338 -1.354 9.616 1.00 1.00 H new ATOM 0 HG2 LYS B 5 16.429 -3.659 10.606 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.179 -3.582 10.559 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.577 -2.947 12.774 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.025 -1.457 11.968 1.00 1.00 H new ATOM 0 HE2 LYS B 5 15.972 -1.127 13.264 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.641 -0.936 11.554 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 14.047 -2.343 12.931 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.564 -2.984 11.446 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 15.244 -3.546 12.897 1.00 1.00 H new ATOM 671 N PRO B 6 15.810 -1.931 6.183 1.00 1.00 N ATOM 672 CA PRO B 6 15.430 -1.024 5.098 1.00 1.00 C ATOM 673 C PRO B 6 14.930 0.322 5.615 1.00 1.00 C ATOM 674 O PRO B 6 13.965 0.387 6.380 1.00 1.00 O ATOM 675 CB PRO B 6 14.305 -1.771 4.371 1.00 1.00 C ATOM 676 CG PRO B 6 13.788 -2.748 5.371 1.00 1.00 C ATOM 677 CD PRO B 6 14.973 -3.140 6.204 1.00 1.00 C ATOM 0 HA PRO B 6 16.279 -0.786 4.457 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.522 -1.086 4.045 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.677 -2.277 3.480 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.007 -2.302 5.987 1.00 1.00 H new ATOM 0 HG3 PRO B 6 13.350 -3.617 4.880 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.681 -3.410 7.219 1.00 1.00 H new ATOM 0 HD3 PRO B 6 15.495 -3.999 5.783 1.00 1.00 H new ATOM 685 N ALA B 7 15.595 1.390 5.201 1.00 1.00 N ATOM 686 CA ALA B 7 15.223 2.736 5.610 1.00 1.00 C ATOM 687 C ALA B 7 14.703 3.517 4.409 1.00 1.00 C ATOM 688 O ALA B 7 15.023 4.693 4.218 1.00 1.00 O ATOM 689 CB ALA B 7 16.417 3.443 6.237 1.00 1.00 C ATOM 0 H ALA B 7 16.401 1.349 4.577 1.00 1.00 H new ATOM 0 HA ALA B 7 14.430 2.677 6.356 1.00 1.00 H new ATOM 0 HB1 ALA B 7 16.127 4.449 6.539 1.00 1.00 H new ATOM 0 HB2 ALA B 7 16.753 2.885 7.111 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.228 3.502 5.511 1.00 1.00 H new ATOM 695 N ARG B 8 13.903 2.851 3.590 1.00 1.00 N ATOM 696 CA ARG B 8 13.346 3.470 2.399 1.00 1.00 C ATOM 697 C ARG B 8 11.827 3.392 2.402 1.00 1.00 C ATOM 698 O ARG B 8 11.247 2.311 2.442 1.00 1.00 O ATOM 699 CB ARG B 8 13.910 2.811 1.136 1.00 1.00 C ATOM 700 CG ARG B 8 15.335 3.232 0.823 1.00 1.00 C ATOM 701 CD ARG B 8 15.453 4.745 0.744 1.00 1.00 C ATOM 702 NE ARG B 8 16.829 5.180 0.540 1.00 1.00 N ATOM 703 CZ ARG B 8 17.585 5.741 1.484 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.128 5.854 2.728 1.00 1.00 N ATOM 705 NH2 ARG B 8 18.805 6.168 1.190 1.00 1.00 N ATOM 0 H ARG B 8 13.625 1.880 3.730 1.00 1.00 H new ATOM 0 HA ARG B 8 13.633 4.522 2.402 1.00 1.00 H new ATOM 0 HB2 ARG B 8 13.876 1.728 1.254 1.00 1.00 H new ATOM 0 HB3 ARG B 8 13.271 3.059 0.289 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.007 2.851 1.592 1.00 1.00 H new ATOM 0 HG3 ARG B 8 15.649 2.790 -0.122 1.00 1.00 H new ATOM 0 HD2 ARG B 8 14.832 5.114 -0.072 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.067 5.186 1.663 1.00 1.00 H new ATOM 0 HE ARG B 8 17.240 5.047 -0.384 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.196 5.511 2.962 1.00 1.00 H new ATOM 0 HH12 ARG B 8 17.709 6.284 3.448 1.00 1.00 H new ATOM 0 HH21 ARG B 8 19.166 6.067 0.241 1.00 1.00 H new ATOM 0 HH22 ARG B 8 19.383 6.597 1.913 1.00 1.00 H new ATOM 719 N PHE B 9 11.199 4.555 2.373 1.00 1.00 N ATOM 720 CA PHE B 9 9.747 4.655 2.358 1.00 1.00 C ATOM 721 C PHE B 9 9.297 5.288 1.047 1.00 1.00 C ATOM 722 O PHE B 9 8.235 5.902 0.960 1.00 1.00 O ATOM 723 CB PHE B 9 9.260 5.486 3.553 1.00 1.00 C ATOM 724 CG PHE B 9 10.156 6.649 3.885 1.00 1.00 C ATOM 725 CD1 PHE B 9 9.972 7.882 3.280 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.187 6.505 4.803 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.799 8.946 3.582 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.017 7.565 5.108 1.00 1.00 C ATOM 729 CZ PHE B 9 11.822 8.788 4.496 1.00 1.00 C ATOM 0 H PHE B 9 11.678 5.455 2.359 1.00 1.00 H new ATOM 0 HA PHE B 9 9.315 3.658 2.438 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.258 5.859 3.341 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.181 4.839 4.426 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.173 8.012 2.565 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.342 5.551 5.285 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.646 9.902 3.103 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.816 7.439 5.823 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.469 9.620 4.732 1.00 1.00 H new ATOM 739 N MET B 10 10.123 5.124 0.027 1.00 1.00 N ATOM 740 CA MET B 10 9.853 5.675 -1.288 1.00 1.00 C ATOM 741 C MET B 10 10.255 4.676 -2.363 1.00 1.00 C ATOM 742 O MET B 10 11.351 4.119 -2.313 1.00 1.00 O ATOM 743 CB MET B 10 10.621 6.989 -1.464 1.00 1.00 C ATOM 744 CG MET B 10 10.552 7.573 -2.864 1.00 1.00 C ATOM 745 SD MET B 10 11.586 9.039 -3.042 1.00 1.00 S ATOM 746 CE MET B 10 11.262 9.476 -4.748 1.00 1.00 C ATOM 0 H MET B 10 10.999 4.605 0.089 1.00 1.00 H new ATOM 0 HA MET B 10 8.786 5.875 -1.383 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.230 7.722 -0.758 1.00 1.00 H new ATOM 0 HB3 MET B 10 11.666 6.822 -1.204 1.00 1.00 H new ATOM 0 HG2 MET B 10 10.866 6.819 -3.586 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.519 7.829 -3.099 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.832 10.367 -5.010 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.558 8.652 -5.397 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.198 9.675 -4.877 1.00 1.00 H new ATOM 756 N CYS B 11 9.356 4.425 -3.305 1.00 1.00 N ATOM 757 CA CYS B 11 9.630 3.499 -4.388 1.00 1.00 C ATOM 758 C CYS B 11 10.552 4.139 -5.422 1.00 1.00 C ATOM 759 O CYS B 11 10.429 5.327 -5.729 1.00 1.00 O ATOM 760 CB CYS B 11 8.322 3.048 -5.054 1.00 1.00 C ATOM 761 SG CYS B 11 8.520 1.699 -6.267 1.00 1.00 S ATOM 0 H CYS B 11 8.430 4.852 -3.338 1.00 1.00 H new ATOM 0 HA CYS B 11 10.130 2.625 -3.970 1.00 1.00 H new ATOM 0 HB2 CYS B 11 7.627 2.725 -4.279 1.00 1.00 H new ATOM 0 HB3 CYS B 11 7.868 3.905 -5.552 1.00 1.00 H new ATOM 0 HG CYS B 11 7.865 0.652 -5.862 1.00 1.00 H new ATOM 766 N LEU B 12 11.475 3.347 -5.940 1.00 1.00 N ATOM 767 CA LEU B 12 12.412 3.815 -6.953 1.00 1.00 C ATOM 768 C LEU B 12 11.915 3.459 -8.360 1.00 1.00 C ATOM 769 O LEU B 12 11.851 4.333 -9.224 1.00 1.00 O ATOM 770 CB LEU B 12 13.820 3.248 -6.714 1.00 1.00 C ATOM 771 CG LEU B 12 14.628 3.935 -5.607 1.00 1.00 C ATOM 772 CD1 LEU B 12 14.230 3.406 -4.237 1.00 1.00 C ATOM 773 CD2 LEU B 12 16.118 3.743 -5.838 1.00 1.00 C ATOM 0 H LEU B 12 11.598 2.370 -5.675 1.00 1.00 H new ATOM 0 HA LEU B 12 12.472 4.901 -6.875 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.730 2.189 -6.471 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.383 3.314 -7.645 1.00 1.00 H new ATOM 0 HG LEU B 12 14.406 5.002 -5.637 1.00 1.00 H new ATOM 0 HD11 LEU B 12 14.817 3.909 -3.468 1.00 1.00 H new ATOM 0 HD12 LEU B 12 13.170 3.597 -4.067 1.00 1.00 H new ATOM 0 HD13 LEU B 12 14.417 2.333 -4.193 1.00 1.00 H new ATOM 0 HD21 LEU B 12 16.676 4.237 -5.043 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.352 2.678 -5.838 1.00 1.00 H new ATOM 0 HD23 LEU B 12 16.396 4.176 -6.799 1.00 1.00 H new ATOM 785 N PRO B 13 11.565 2.176 -8.628 1.00 1.00 N ATOM 786 CA PRO B 13 11.062 1.762 -9.946 1.00 1.00 C ATOM 787 C PRO B 13 9.785 2.501 -10.330 1.00 1.00 C ATOM 788 O PRO B 13 9.689 3.071 -11.421 1.00 1.00 O ATOM 789 CB PRO B 13 10.782 0.264 -9.784 1.00 1.00 C ATOM 790 CG PRO B 13 11.608 -0.156 -8.620 1.00 1.00 C ATOM 791 CD PRO B 13 11.654 1.030 -7.703 1.00 1.00 C ATOM 0 HA PRO B 13 11.777 1.985 -10.738 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.723 0.077 -9.605 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.056 -0.289 -10.683 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.169 -1.020 -8.120 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.610 -0.445 -8.936 1.00 1.00 H new ATOM 0 HD2 PRO B 13 10.828 1.021 -6.992 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.575 1.053 -7.121 1.00 1.00 H new ATOM 799 N CYS B 14 8.813 2.492 -9.429 1.00 1.00 N ATOM 800 CA CYS B 14 7.550 3.163 -9.667 1.00 1.00 C ATOM 801 C CYS B 14 7.681 4.653 -9.362 1.00 1.00 C ATOM 802 O CYS B 14 7.274 5.502 -10.158 1.00 1.00 O ATOM 803 CB CYS B 14 6.464 2.528 -8.803 1.00 1.00 C ATOM 804 SG CYS B 14 6.416 0.707 -8.895 1.00 1.00 S ATOM 0 H CYS B 14 8.879 2.025 -8.525 1.00 1.00 H new ATOM 0 HA CYS B 14 7.273 3.053 -10.716 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.618 2.826 -7.766 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.495 2.923 -9.107 1.00 1.00 H new ATOM 0 HG CYS B 14 5.344 0.333 -9.527 1.00 1.00 H new ATOM 809 N GLY B 15 8.254 4.958 -8.208 1.00 1.00 N ATOM 810 CA GLY B 15 8.448 6.340 -7.817 1.00 1.00 C ATOM 811 C GLY B 15 7.307 6.884 -6.983 1.00 1.00 C ATOM 812 O GLY B 15 6.707 7.902 -7.330 1.00 1.00 O ATOM 0 H GLY B 15 8.589 4.271 -7.533 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.376 6.425 -7.252 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.561 6.953 -8.711 1.00 1.00 H new ATOM 816 N ILE B 16 6.997 6.212 -5.884 1.00 1.00 N ATOM 817 CA ILE B 16 5.925 6.652 -5.004 1.00 1.00 C ATOM 818 C ILE B 16 6.434 6.773 -3.578 1.00 1.00 C ATOM 819 O ILE B 16 6.935 5.804 -3.003 1.00 1.00 O ATOM 820 CB ILE B 16 4.699 5.697 -5.043 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.920 5.879 -6.345 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.772 5.933 -3.853 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.326 4.916 -7.433 1.00 1.00 C ATOM 0 H ILE B 16 7.472 5.362 -5.581 1.00 1.00 H new ATOM 0 HA ILE B 16 5.595 7.627 -5.364 1.00 1.00 H new ATOM 0 HB ILE B 16 5.076 4.676 -4.988 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.856 5.757 -6.142 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.061 6.899 -6.703 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.925 5.249 -3.910 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.318 5.757 -2.926 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.410 6.961 -3.872 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.731 5.105 -8.327 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.382 5.053 -7.665 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.159 3.893 -7.095 1.00 1.00 H new ATOM 835 N ALA B 17 6.345 7.975 -3.030 1.00 1.00 N ATOM 836 CA ALA B 17 6.771 8.226 -1.666 1.00 1.00 C ATOM 837 C ALA B 17 5.607 7.963 -0.728 1.00 1.00 C ATOM 838 O ALA B 17 4.523 8.517 -0.908 1.00 1.00 O ATOM 839 CB ALA B 17 7.268 9.652 -1.514 1.00 1.00 C ATOM 0 H ALA B 17 5.979 8.795 -3.514 1.00 1.00 H new ATOM 0 HA ALA B 17 7.596 7.559 -1.416 1.00 1.00 H new ATOM 0 HB1 ALA B 17 7.583 9.820 -0.484 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.113 9.816 -2.183 1.00 1.00 H new ATOM 0 HB3 ALA B 17 6.466 10.346 -1.766 1.00 1.00 H new ATOM 845 N PHE B 18 5.823 7.123 0.264 1.00 1.00 N ATOM 846 CA PHE B 18 4.765 6.780 1.198 1.00 1.00 C ATOM 847 C PHE B 18 4.886 7.546 2.506 1.00 1.00 C ATOM 848 O PHE B 18 5.926 8.131 2.814 1.00 1.00 O ATOM 849 CB PHE B 18 4.774 5.276 1.473 1.00 1.00 C ATOM 850 CG PHE B 18 4.193 4.463 0.353 1.00 1.00 C ATOM 851 CD1 PHE B 18 2.872 4.633 -0.025 1.00 1.00 C ATOM 852 CD2 PHE B 18 4.965 3.535 -0.326 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.328 3.896 -1.055 1.00 1.00 C ATOM 854 CE2 PHE B 18 4.426 2.792 -1.358 1.00 1.00 C ATOM 855 CZ PHE B 18 3.106 2.973 -1.723 1.00 1.00 C ATOM 0 H PHE B 18 6.717 6.666 0.445 1.00 1.00 H new ATOM 0 HA PHE B 18 3.819 7.063 0.737 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.799 4.953 1.653 1.00 1.00 H new ATOM 0 HB3 PHE B 18 4.212 5.077 2.386 1.00 1.00 H new ATOM 0 HD1 PHE B 18 2.259 5.354 0.495 1.00 1.00 H new ATOM 0 HD2 PHE B 18 5.998 3.391 -0.046 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.296 4.041 -1.338 1.00 1.00 H new ATOM 0 HE2 PHE B 18 5.036 2.070 -1.880 1.00 1.00 H new ATOM 0 HZ PHE B 18 2.684 2.393 -2.530 1.00 1.00 H new ATOM 865 N SER B 19 3.803 7.548 3.257 1.00 1.00 N ATOM 866 CA SER B 19 3.747 8.209 4.545 1.00 1.00 C ATOM 867 C SER B 19 3.524 7.160 5.631 1.00 1.00 C ATOM 868 O SER B 19 3.844 7.365 6.802 1.00 1.00 O ATOM 869 CB SER B 19 2.622 9.249 4.555 1.00 1.00 C ATOM 870 OG SER B 19 2.727 10.131 3.443 1.00 1.00 O ATOM 0 H SER B 19 2.933 7.089 2.989 1.00 1.00 H new ATOM 0 HA SER B 19 4.686 8.728 4.736 1.00 1.00 H new ATOM 0 HB2 SER B 19 1.656 8.744 4.532 1.00 1.00 H new ATOM 0 HB3 SER B 19 2.661 9.822 5.482 1.00 1.00 H new ATOM 0 HG SER B 19 1.996 10.783 3.473 1.00 1.00 H new ATOM 876 N SER B 20 2.976 6.025 5.216 1.00 1.00 N ATOM 877 CA SER B 20 2.712 4.915 6.115 1.00 1.00 C ATOM 878 C SER B 20 3.809 3.855 5.970 1.00 1.00 C ATOM 879 O SER B 20 4.405 3.715 4.902 1.00 1.00 O ATOM 880 CB SER B 20 1.339 4.310 5.797 1.00 1.00 C ATOM 881 OG SER B 20 0.354 5.322 5.652 1.00 1.00 O ATOM 0 H SER B 20 2.704 5.851 4.249 1.00 1.00 H new ATOM 0 HA SER B 20 2.709 5.275 7.144 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.400 3.724 4.880 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.047 3.626 6.593 1.00 1.00 H new ATOM 0 HG SER B 20 0.155 5.451 4.701 1.00 1.00 H new ATOM 887 N PRO B 21 4.114 3.109 7.042 1.00 1.00 N ATOM 888 CA PRO B 21 5.141 2.074 7.004 1.00 1.00 C ATOM 889 C PRO B 21 4.599 0.719 6.545 1.00 1.00 C ATOM 890 O PRO B 21 5.358 -0.232 6.350 1.00 1.00 O ATOM 891 CB PRO B 21 5.593 2.006 8.460 1.00 1.00 C ATOM 892 CG PRO B 21 4.372 2.338 9.253 1.00 1.00 C ATOM 893 CD PRO B 21 3.517 3.238 8.387 1.00 1.00 C ATOM 0 HA PRO B 21 5.936 2.304 6.295 1.00 1.00 H new ATOM 0 HB2 PRO B 21 5.971 1.015 8.711 1.00 1.00 H new ATOM 0 HB3 PRO B 21 6.398 2.714 8.658 1.00 1.00 H new ATOM 0 HG2 PRO B 21 3.829 1.432 9.523 1.00 1.00 H new ATOM 0 HG3 PRO B 21 4.640 2.838 10.183 1.00 1.00 H new ATOM 0 HD2 PRO B 21 2.473 2.924 8.393 1.00 1.00 H new ATOM 0 HD3 PRO B 21 3.541 4.270 8.737 1.00 1.00 H new ATOM 901 N SER B 22 3.287 0.643 6.363 1.00 1.00 N ATOM 902 CA SER B 22 2.639 -0.595 5.958 1.00 1.00 C ATOM 903 C SER B 22 2.116 -0.528 4.520 1.00 1.00 C ATOM 904 O SER B 22 1.622 -1.520 3.986 1.00 1.00 O ATOM 905 CB SER B 22 1.487 -0.886 6.915 1.00 1.00 C ATOM 906 OG SER B 22 0.870 0.323 7.331 1.00 1.00 O ATOM 0 H SER B 22 2.649 1.429 6.490 1.00 1.00 H new ATOM 0 HA SER B 22 3.379 -1.395 5.996 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.753 -1.527 6.426 1.00 1.00 H new ATOM 0 HB3 SER B 22 1.857 -1.430 7.784 1.00 1.00 H new ATOM 0 HG SER B 22 0.132 0.120 7.943 1.00 1.00 H new ATOM 912 N THR B 23 2.225 0.630 3.888 1.00 1.00 N ATOM 913 CA THR B 23 1.741 0.780 2.527 1.00 1.00 C ATOM 914 C THR B 23 2.659 0.071 1.531 1.00 1.00 C ATOM 915 O THR B 23 2.195 -0.508 0.547 1.00 1.00 O ATOM 916 CB THR B 23 1.593 2.263 2.158 1.00 1.00 C ATOM 917 OG1 THR B 23 2.461 3.055 2.978 1.00 1.00 O ATOM 918 CG2 THR B 23 0.158 2.718 2.352 1.00 1.00 C ATOM 0 H THR B 23 2.640 1.470 4.291 1.00 1.00 H new ATOM 0 HA THR B 23 0.758 0.312 2.474 1.00 1.00 H new ATOM 0 HB THR B 23 1.864 2.389 1.110 1.00 1.00 H new ATOM 0 HG1 THR B 23 2.235 4.003 2.873 1.00 1.00 H new ATOM 0 HG21 THR B 23 0.071 3.771 2.086 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.500 2.127 1.715 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.129 2.582 3.395 1.00 1.00 H new ATOM 926 N LEU B 24 3.958 0.090 1.813 1.00 1.00 N ATOM 927 CA LEU B 24 4.938 -0.561 0.947 1.00 1.00 C ATOM 928 C LEU B 24 4.701 -2.071 0.898 1.00 1.00 C ATOM 929 O LEU B 24 4.963 -2.716 -0.117 1.00 1.00 O ATOM 930 CB LEU B 24 6.360 -0.283 1.442 1.00 1.00 C ATOM 931 CG LEU B 24 6.808 1.178 1.379 1.00 1.00 C ATOM 932 CD1 LEU B 24 6.555 1.877 2.708 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.278 1.265 0.998 1.00 1.00 C ATOM 0 H LEU B 24 4.357 0.548 2.632 1.00 1.00 H new ATOM 0 HA LEU B 24 4.821 -0.152 -0.057 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.439 -0.624 2.474 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.054 -0.883 0.853 1.00 1.00 H new ATOM 0 HG LEU B 24 6.222 1.685 0.613 1.00 1.00 H new ATOM 0 HD11 LEU B 24 6.881 2.915 2.641 1.00 1.00 H new ATOM 0 HD12 LEU B 24 5.490 1.845 2.939 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.113 1.372 3.497 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.582 2.311 0.957 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.878 0.741 1.742 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.429 0.805 0.021 1.00 1.00 H new ATOM 945 N GLU B 25 4.181 -2.607 2.003 1.00 1.00 N ATOM 946 CA GLU B 25 3.900 -4.035 2.138 1.00 1.00 C ATOM 947 C GLU B 25 3.037 -4.558 0.988 1.00 1.00 C ATOM 948 O GLU B 25 3.343 -5.583 0.383 1.00 1.00 O ATOM 949 CB GLU B 25 3.194 -4.284 3.475 1.00 1.00 C ATOM 950 CG GLU B 25 2.966 -5.750 3.801 1.00 1.00 C ATOM 951 CD GLU B 25 1.766 -5.964 4.706 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.477 -5.078 5.542 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.105 -7.015 4.578 1.00 1.00 O ATOM 0 H GLU B 25 3.943 -2.061 2.831 1.00 1.00 H new ATOM 0 HA GLU B 25 4.847 -4.573 2.106 1.00 1.00 H new ATOM 0 HB2 GLU B 25 3.785 -3.835 4.273 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.231 -3.773 3.464 1.00 1.00 H new ATOM 0 HG2 GLU B 25 2.823 -6.307 2.875 1.00 1.00 H new ATOM 0 HG3 GLU B 25 3.857 -6.155 4.282 1.00 1.00 H new ATOM 960 N ALA B 26 1.961 -3.847 0.684 1.00 1.00 N ATOM 961 CA ALA B 26 1.063 -4.263 -0.383 1.00 1.00 C ATOM 962 C ALA B 26 1.449 -3.628 -1.715 1.00 1.00 C ATOM 963 O ALA B 26 1.027 -4.091 -2.776 1.00 1.00 O ATOM 964 CB ALA B 26 -0.370 -3.938 -0.019 1.00 1.00 C ATOM 0 H ALA B 26 1.690 -2.985 1.157 1.00 1.00 H new ATOM 0 HA ALA B 26 1.153 -5.343 -0.501 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.031 -4.254 -0.826 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.640 -4.462 0.898 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.472 -2.864 0.133 1.00 1.00 H new ATOM 970 N HIS B 27 2.236 -2.558 -1.659 1.00 1.00 N ATOM 971 CA HIS B 27 2.691 -1.890 -2.871 1.00 1.00 C ATOM 972 C HIS B 27 3.607 -2.824 -3.649 1.00 1.00 C ATOM 973 O HIS B 27 3.409 -3.050 -4.848 1.00 1.00 O ATOM 974 CB HIS B 27 3.427 -0.583 -2.542 1.00 1.00 C ATOM 975 CG HIS B 27 3.987 0.117 -3.749 1.00 1.00 C ATOM 976 ND1 HIS B 27 3.451 1.261 -4.297 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.066 -0.193 -4.515 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.204 1.598 -5.358 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.194 0.747 -5.530 1.00 1.00 N ATOM 0 H HIS B 27 2.570 -2.138 -0.792 1.00 1.00 H new ATOM 0 HA HIS B 27 1.820 -1.640 -3.477 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.741 0.090 -2.029 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.240 -0.799 -1.849 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.721 -1.037 -4.359 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.021 2.456 -5.988 1.00 1.00 H new ATOM 0 HE2 HIS B 27 5.908 0.773 -6.258 1.00 1.00 H new ATOM 987 N GLN B 28 4.598 -3.370 -2.950 1.00 1.00 N ATOM 988 CA GLN B 28 5.556 -4.290 -3.549 1.00 1.00 C ATOM 989 C GLN B 28 4.933 -5.674 -3.705 1.00 1.00 C ATOM 990 O GLN B 28 5.387 -6.655 -3.114 1.00 1.00 O ATOM 991 CB GLN B 28 6.823 -4.359 -2.696 1.00 1.00 C ATOM 992 CG GLN B 28 7.787 -3.212 -2.956 1.00 1.00 C ATOM 993 CD GLN B 28 8.826 -3.057 -1.863 1.00 1.00 C ATOM 994 OE1 GLN B 28 8.652 -2.273 -0.931 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.914 -3.804 -1.966 1.00 1.00 N ATOM 0 H GLN B 28 4.758 -3.188 -1.959 1.00 1.00 H new ATOM 0 HA GLN B 28 5.827 -3.924 -4.539 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.544 -4.358 -1.642 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.332 -5.303 -2.890 1.00 1.00 H new ATOM 0 HG2 GLN B 28 8.291 -3.376 -3.909 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.223 -2.284 -3.049 1.00 1.00 H new ATOM 0 HE21 GLN B 28 10.022 -4.443 -2.754 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.645 -3.741 -1.257 1.00 1.00 H new ATOM 1004 N ALA B 29 3.876 -5.724 -4.507 1.00 1.00 N ATOM 1005 CA ALA B 29 3.141 -6.948 -4.775 1.00 1.00 C ATOM 1006 C ALA B 29 2.079 -6.686 -5.831 1.00 1.00 C ATOM 1007 O ALA B 29 1.868 -7.496 -6.735 1.00 1.00 O ATOM 1008 CB ALA B 29 2.485 -7.464 -3.502 1.00 1.00 C ATOM 0 H ALA B 29 3.504 -4.908 -4.992 1.00 1.00 H new ATOM 0 HA ALA B 29 3.838 -7.703 -5.139 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.938 -8.381 -3.720 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.252 -7.668 -2.754 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.794 -6.713 -3.118 1.00 1.00 H new ATOM 1014 N TYR B 30 1.414 -5.543 -5.711 1.00 1.00 N ATOM 1015 CA TYR B 30 0.361 -5.173 -6.644 1.00 1.00 C ATOM 1016 C TYR B 30 0.800 -4.057 -7.586 1.00 1.00 C ATOM 1017 O TYR B 30 0.793 -4.226 -8.805 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.881 -4.722 -5.881 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.506 -5.788 -5.008 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.277 -6.800 -5.559 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.338 -5.766 -3.631 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -2.862 -7.761 -4.760 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -1.916 -6.723 -2.827 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.679 -7.718 -3.394 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.261 -8.670 -2.593 1.00 1.00 O ATOM 0 H TYR B 30 1.587 -4.857 -4.976 1.00 1.00 H new ATOM 0 HA TYR B 30 0.135 -6.056 -7.242 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.618 -3.868 -5.257 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.626 -4.375 -6.598 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.422 -6.837 -6.629 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.743 -4.984 -3.182 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.461 -8.543 -5.203 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.771 -6.693 -1.757 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.071 -8.467 -1.653 1.00 1.00 H new ATOM 1035 N TYR B 31 1.167 -2.911 -7.018 1.00 1.00 N ATOM 1036 CA TYR B 31 1.583 -1.766 -7.822 1.00 1.00 C ATOM 1037 C TYR B 31 2.962 -1.994 -8.426 1.00 1.00 C ATOM 1038 O TYR B 31 3.210 -1.634 -9.580 1.00 1.00 O ATOM 1039 CB TYR B 31 1.578 -0.482 -6.988 1.00 1.00 C ATOM 1040 CG TYR B 31 1.608 0.782 -7.827 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.783 1.215 -8.426 1.00 1.00 C ATOM 1042 CD2 TYR B 31 0.458 1.533 -8.032 1.00 1.00 C ATOM 1043 CE1 TYR B 31 2.814 2.357 -9.201 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.481 2.677 -8.808 1.00 1.00 C ATOM 1045 CZ TYR B 31 1.662 3.084 -9.389 1.00 1.00 C ATOM 1046 OH TYR B 31 1.689 4.222 -10.168 1.00 1.00 O ATOM 0 H TYR B 31 1.185 -2.751 -6.011 1.00 1.00 H new ATOM 0 HA TYR B 31 0.865 -1.655 -8.635 1.00 1.00 H new ATOM 0 HB2 TYR B 31 0.688 -0.470 -6.358 1.00 1.00 H new ATOM 0 HB3 TYR B 31 2.440 -0.487 -6.321 1.00 1.00 H new ATOM 0 HD1 TYR B 31 3.691 0.647 -8.283 1.00 1.00 H new ATOM 0 HD2 TYR B 31 -0.470 1.218 -7.578 1.00 1.00 H new ATOM 0 HE1 TYR B 31 3.739 2.678 -9.658 1.00 1.00 H new ATOM 0 HE2 TYR B 31 -0.423 3.249 -8.958 1.00 1.00 H new ATOM 0 HH TYR B 31 0.793 4.618 -10.200 1.00 1.00 H new ATOM 1056 N CYS B 32 3.858 -2.592 -7.650 1.00 1.00 N ATOM 1057 CA CYS B 32 5.203 -2.880 -8.122 1.00 1.00 C ATOM 1058 C CYS B 32 5.191 -4.100 -9.053 1.00 1.00 C ATOM 1059 O CYS B 32 5.933 -5.064 -8.852 1.00 1.00 O ATOM 1060 CB CYS B 32 6.140 -3.111 -6.935 1.00 1.00 C ATOM 1061 SG CYS B 32 7.400 -1.806 -6.707 1.00 1.00 S ATOM 0 H CYS B 32 3.675 -2.886 -6.691 1.00 1.00 H new ATOM 0 HA CYS B 32 5.570 -2.023 -8.688 1.00 1.00 H new ATOM 0 HB2 CYS B 32 5.544 -3.187 -6.026 1.00 1.00 H new ATOM 0 HB3 CYS B 32 6.645 -4.068 -7.066 1.00 1.00 H new ATOM 0 HG CYS B 32 7.085 -0.769 -7.424 1.00 1.00 H new ATOM 1066 N SER B 33 4.325 -4.031 -10.066 1.00 1.00 N ATOM 1067 CA SER B 33 4.163 -5.080 -11.065 1.00 1.00 C ATOM 1068 C SER B 33 3.610 -6.360 -10.438 1.00 1.00 C ATOM 1069 O SER B 33 2.397 -6.560 -10.400 1.00 1.00 O ATOM 1070 CB SER B 33 5.491 -5.341 -11.779 1.00 1.00 C ATOM 1071 OG SER B 33 6.134 -4.114 -12.091 1.00 1.00 O ATOM 0 H SER B 33 3.709 -3.232 -10.214 1.00 1.00 H new ATOM 0 HA SER B 33 3.437 -4.741 -11.804 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.139 -5.948 -11.146 1.00 1.00 H new ATOM 0 HB3 SER B 33 5.315 -5.909 -12.692 1.00 1.00 H new ATOM 0 HG SER B 33 6.983 -4.296 -12.546 1.00 1.00 H new ATOM 1077 N HIS B 34 4.500 -7.210 -9.941 1.00 1.00 N ATOM 1078 CA HIS B 34 4.113 -8.466 -9.312 1.00 1.00 C ATOM 1079 C HIS B 34 5.309 -9.061 -8.587 1.00 1.00 C ATOM 1080 O HIS B 34 5.552 -10.266 -8.640 1.00 1.00 O ATOM 1081 CB HIS B 34 3.574 -9.464 -10.348 1.00 1.00 C ATOM 1082 CG HIS B 34 2.090 -9.655 -10.276 1.00 1.00 C ATOM 1083 ND1 HIS B 34 1.312 -9.966 -11.371 1.00 1.00 N ATOM 1084 CD2 HIS B 34 1.241 -9.571 -9.227 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.050 -10.059 -10.998 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -0.021 -9.827 -9.703 1.00 1.00 N ATOM 0 H HIS B 34 5.507 -7.049 -9.962 1.00 1.00 H new ATOM 0 HA HIS B 34 3.316 -8.262 -8.597 1.00 1.00 H new ATOM 0 HB2 HIS B 34 3.840 -9.118 -11.347 1.00 1.00 H new ATOM 0 HB3 HIS B 34 4.064 -10.427 -10.203 1.00 1.00 H new ATOM 0 HD2 HIS B 34 1.506 -9.345 -8.205 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.784 -10.287 -11.645 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.875 -9.836 -9.145 1.00 1.00 H new