USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=24 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 -158:sc= 2.05 USER MOD Set 1.2: B 14 CYS SG : rot -119:sc= -5.72! USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -2.76 F(o=-9.7,f=-9) USER MOD Set 1.4: B 28 GLN : amide:sc= 1.21 K(o=-9,f=-11) USER MOD Set 1.5: B 32 CYS SG : rot -31:sc= -3.82! USER MOD Set 2.1: B 19 SER OG : rot 2:sc= 1.71 USER MOD Set 2.2: B 20 SER OG : rot 69:sc= 0.838 USER MOD Set 3.1: A 232 HIS : no HD1:sc= 1.15 K(o=2.1,f=-8.2!) USER MOD Set 3.2: A 238 ASN : amide:sc= 1.02 K(o=2.1,f=-0.54) USER MOD Set 3.3: B 30 TYR OH : rot 180:sc= -0.023 USER MOD Set 4.1: A 231 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 235 ASN : amide:sc=-0.00435 X(o=-0.0043,f=-0.19) USER MOD Set 5.1: A 204 CYS SG : rot -166:sc= 2.98 USER MOD Set 5.2: A 207 CYS SG : rot -95:sc= 2.24 USER MOD Set 5.3: A 225 CYS SG : rot -80:sc= 1.96 USER MOD Set 5.4: A 228 CYS SG : rot 69:sc= -0.204 USER MOD Single : A 206 ASN :FLIP amide:sc= 0.00553 F(o=-1.6!,f=0.0055) USER MOD Single : A 210 THR OG1 : rot -34:sc= 1.09 USER MOD Single : A 212 THR OG1 : rot -111:sc= 0.857 USER MOD Single : A 220 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 222 HIS : +bothHN:sc= -1.52! C(o=-1.5!,f=-11!) USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 0.891 K(o=0.89,f=-1.3) 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 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ -114:sc= 0.091 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 180:sc= 0.0551 USER MOD Single : B 23 THR OG1 : rot -83:sc= -1.08 USER MOD Single : B 31 TYR OH : rot 164:sc= 1.18 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0.855 K(o=0.86,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -1.016 -13.572 1.399 1.00 1.00 N ATOM 2 CA GLU A 200 -1.438 -14.698 0.537 1.00 1.00 C ATOM 3 C GLU A 200 -1.848 -14.201 -0.843 1.00 1.00 C ATOM 4 O GLU A 200 -1.166 -14.463 -1.836 1.00 1.00 O ATOM 5 CB GLU A 200 -2.597 -15.462 1.181 1.00 1.00 C ATOM 6 CG GLU A 200 -2.155 -16.509 2.190 1.00 1.00 C ATOM 7 CD GLU A 200 -1.766 -15.921 3.528 1.00 1.00 C ATOM 8 OE1 GLU A 200 -0.865 -15.061 3.567 1.00 1.00 O ATOM 9 OE2 GLU A 200 -2.353 -16.326 4.551 1.00 1.00 O ATOM 0 HA GLU A 200 -0.589 -15.372 0.425 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -3.259 -14.751 1.675 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -3.179 -15.948 0.398 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -2.962 -17.226 2.337 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.308 -17.061 1.783 1.00 1.00 H new ATOM 16 N ALA A 201 -2.955 -13.468 -0.899 1.00 1.00 N ATOM 17 CA ALA A 201 -3.452 -12.940 -2.160 1.00 1.00 C ATOM 18 C ALA A 201 -2.576 -11.792 -2.645 1.00 1.00 C ATOM 19 O ALA A 201 -1.965 -11.867 -3.711 1.00 1.00 O ATOM 20 CB ALA A 201 -4.895 -12.488 -2.010 1.00 1.00 C ATOM 0 H ALA A 201 -3.523 -13.228 -0.086 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.414 -13.733 -2.906 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -5.254 -12.095 -2.961 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.512 -13.335 -1.711 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.955 -11.709 -1.250 1.00 1.00 H new ATOM 26 N ARG A 202 -2.500 -10.740 -1.846 1.00 1.00 N ATOM 27 CA ARG A 202 -1.696 -9.580 -2.189 1.00 1.00 C ATOM 28 C ARG A 202 -1.236 -8.886 -0.918 1.00 1.00 C ATOM 29 O ARG A 202 -1.662 -9.260 0.177 1.00 1.00 O ATOM 30 CB ARG A 202 -2.491 -8.614 -3.074 1.00 1.00 C ATOM 31 CG ARG A 202 -1.645 -7.892 -4.114 1.00 1.00 C ATOM 32 CD ARG A 202 -1.212 -8.820 -5.246 1.00 1.00 C ATOM 33 NE ARG A 202 -0.289 -9.864 -4.792 1.00 1.00 N ATOM 34 CZ ARG A 202 1.039 -9.757 -4.833 1.00 1.00 C ATOM 35 NH1 ARG A 202 1.605 -8.686 -5.370 1.00 1.00 N ATOM 36 NH2 ARG A 202 1.802 -10.727 -4.346 1.00 1.00 N ATOM 0 H ARG A 202 -2.987 -10.666 -0.953 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.822 -9.908 -2.751 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.280 -9.168 -3.583 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.979 -7.874 -2.440 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.212 -7.058 -4.527 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.762 -7.470 -3.633 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.093 -9.285 -5.688 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.734 -8.233 -6.031 1.00 1.00 H new ATOM 0 HE ARG A 202 -0.688 -10.727 -4.421 1.00 1.00 H new ATOM 0 HH11 ARG A 202 1.024 -7.940 -5.754 1.00 1.00 H new ATOM 0 HH12 ARG A 202 2.622 -8.607 -5.400 1.00 1.00 H new ATOM 0 HH21 ARG A 202 1.373 -11.558 -3.939 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.818 -10.642 -4.379 1.00 1.00 H new ATOM 50 N GLU A 203 -0.375 -7.889 -1.059 1.00 1.00 N ATOM 51 CA GLU A 203 0.140 -7.158 0.086 1.00 1.00 C ATOM 52 C GLU A 203 -0.557 -5.810 0.218 1.00 1.00 C ATOM 53 O GLU A 203 -0.443 -4.953 -0.661 1.00 1.00 O ATOM 54 CB GLU A 203 1.656 -6.944 -0.043 1.00 1.00 C ATOM 55 CG GLU A 203 2.329 -7.831 -1.087 1.00 1.00 C ATOM 56 CD GLU A 203 2.394 -7.192 -2.465 1.00 1.00 C ATOM 57 OE1 GLU A 203 1.329 -6.917 -3.052 1.00 1.00 O ATOM 58 OE2 GLU A 203 3.520 -6.984 -2.976 1.00 1.00 O ATOM 0 H GLU A 203 -0.018 -7.568 -1.959 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.059 -7.750 0.979 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.844 -5.900 -0.295 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.121 -7.127 0.926 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.340 -8.068 -0.756 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.787 -8.774 -1.156 1.00 1.00 H new ATOM 65 N CYS A 204 -1.293 -5.630 1.305 1.00 1.00 N ATOM 66 CA CYS A 204 -1.979 -4.376 1.541 1.00 1.00 C ATOM 67 C CYS A 204 -0.965 -3.311 1.923 1.00 1.00 C ATOM 68 O CYS A 204 0.025 -3.588 2.604 1.00 1.00 O ATOM 69 CB CYS A 204 -3.040 -4.517 2.630 1.00 1.00 C ATOM 70 SG CYS A 204 -3.834 -2.946 3.103 1.00 1.00 S ATOM 0 H CYS A 204 -1.428 -6.334 2.031 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.489 -4.082 0.624 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.808 -5.211 2.287 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.581 -4.961 3.514 1.00 1.00 H new ATOM 0 HG CYS A 204 -4.489 -3.108 4.214 1.00 1.00 H new ATOM 75 N VAL A 205 -1.233 -2.092 1.507 1.00 1.00 N ATOM 76 CA VAL A 205 -0.333 -0.980 1.757 1.00 1.00 C ATOM 77 C VAL A 205 -0.712 -0.194 3.006 1.00 1.00 C ATOM 78 O VAL A 205 0.023 0.701 3.428 1.00 1.00 O ATOM 79 CB VAL A 205 -0.327 -0.021 0.552 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.117 -0.797 -0.736 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.621 0.777 0.485 1.00 1.00 C ATOM 0 H VAL A 205 -2.075 -1.842 0.989 1.00 1.00 H new ATOM 0 HA VAL A 205 0.658 -1.407 1.912 1.00 1.00 H new ATOM 0 HB VAL A 205 0.497 0.681 0.679 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.115 -0.107 -1.580 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.838 -1.321 -0.693 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.923 -1.520 -0.861 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.591 1.447 -0.375 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.465 0.094 0.384 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -1.735 1.363 1.397 1.00 1.00 H new ATOM 91 N ASN A 206 -1.843 -0.530 3.604 1.00 1.00 N ATOM 92 CA ASN A 206 -2.307 0.195 4.775 1.00 1.00 C ATOM 93 C ASN A 206 -2.355 -0.676 6.022 1.00 1.00 C ATOM 94 O ASN A 206 -2.028 -0.209 7.116 1.00 1.00 O ATOM 95 CB ASN A 206 -3.682 0.798 4.499 1.00 1.00 C ATOM 96 CG ASN A 206 -3.610 2.265 4.123 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.215 2.550 2.887 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -3.884 3.142 4.944 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.451 -1.291 3.302 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.587 0.989 4.971 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.163 0.243 3.693 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.309 0.684 5.383 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -4.184 2.885 5.884 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.811 4.125 4.683 1.00 1.00 H new ATOM 105 N CYS A 207 -2.759 -1.931 5.877 1.00 1.00 N ATOM 106 CA CYS A 207 -2.832 -2.820 7.027 1.00 1.00 C ATOM 107 C CYS A 207 -2.055 -4.111 6.796 1.00 1.00 C ATOM 108 O CYS A 207 -1.366 -4.603 7.693 1.00 1.00 O ATOM 109 CB CYS A 207 -4.295 -3.126 7.376 1.00 1.00 C ATOM 110 SG CYS A 207 -5.241 -3.957 6.055 1.00 1.00 S ATOM 0 H CYS A 207 -3.037 -2.351 4.990 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.368 -2.307 7.869 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.317 -3.752 8.268 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.796 -2.192 7.629 1.00 1.00 H new ATOM 0 HG CYS A 207 -5.895 -3.070 5.366 1.00 1.00 H new ATOM 115 N GLY A 208 -2.163 -4.652 5.597 1.00 1.00 N ATOM 116 CA GLY A 208 -1.478 -5.886 5.277 1.00 1.00 C ATOM 117 C GLY A 208 -2.371 -7.093 5.476 1.00 1.00 C ATOM 118 O GLY A 208 -1.907 -8.233 5.426 1.00 1.00 O ATOM 0 H GLY A 208 -2.715 -4.258 4.835 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.135 -5.854 4.243 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.591 -5.983 5.904 1.00 1.00 H new ATOM 122 N ALA A 209 -3.654 -6.841 5.704 1.00 1.00 N ATOM 123 CA ALA A 209 -4.622 -7.912 5.907 1.00 1.00 C ATOM 124 C ALA A 209 -4.971 -8.589 4.586 1.00 1.00 C ATOM 125 O ALA A 209 -5.629 -8.002 3.728 1.00 1.00 O ATOM 126 CB ALA A 209 -5.880 -7.371 6.572 1.00 1.00 C ATOM 0 H ALA A 209 -4.049 -5.902 5.753 1.00 1.00 H new ATOM 0 HA ALA A 209 -4.171 -8.657 6.563 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -6.593 -8.183 6.717 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -5.623 -6.937 7.538 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -6.326 -6.605 5.938 1.00 1.00 H new ATOM 132 N THR A 210 -4.528 -9.829 4.429 1.00 1.00 N ATOM 133 CA THR A 210 -4.787 -10.579 3.209 1.00 1.00 C ATOM 134 C THR A 210 -6.093 -11.369 3.313 1.00 1.00 C ATOM 135 O THR A 210 -6.532 -11.983 2.339 1.00 1.00 O ATOM 136 CB THR A 210 -3.620 -11.542 2.878 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.875 -12.243 1.648 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.409 -12.549 3.999 1.00 1.00 C ATOM 0 H THR A 210 -3.988 -10.336 5.131 1.00 1.00 H new ATOM 0 HA THR A 210 -4.878 -9.853 2.401 1.00 1.00 H new ATOM 0 HB THR A 210 -2.717 -10.941 2.769 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.836 -12.413 1.562 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.584 -13.213 3.741 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.174 -12.021 4.923 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.317 -13.136 4.137 1.00 1.00 H new ATOM 146 N ALA A 211 -6.718 -11.340 4.485 1.00 1.00 N ATOM 147 CA ALA A 211 -7.966 -12.068 4.704 1.00 1.00 C ATOM 148 C ALA A 211 -9.188 -11.207 4.385 1.00 1.00 C ATOM 149 O ALA A 211 -10.185 -11.225 5.112 1.00 1.00 O ATOM 150 CB ALA A 211 -8.032 -12.576 6.133 1.00 1.00 C ATOM 0 H ALA A 211 -6.383 -10.822 5.297 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.979 -12.918 4.022 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -8.966 -13.117 6.284 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.192 -13.244 6.321 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -7.986 -11.732 6.822 1.00 1.00 H new ATOM 156 N THR A 212 -9.111 -10.462 3.296 1.00 1.00 N ATOM 157 CA THR A 212 -10.213 -9.613 2.877 1.00 1.00 C ATOM 158 C THR A 212 -11.109 -10.376 1.901 1.00 1.00 C ATOM 159 O THR A 212 -10.618 -11.144 1.068 1.00 1.00 O ATOM 160 CB THR A 212 -9.702 -8.300 2.232 1.00 1.00 C ATOM 161 OG1 THR A 212 -10.799 -7.505 1.758 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.747 -8.589 1.085 1.00 1.00 C ATOM 0 H THR A 212 -8.295 -10.428 2.685 1.00 1.00 H new ATOM 0 HA THR A 212 -10.792 -9.341 3.760 1.00 1.00 H new ATOM 0 HB THR A 212 -9.166 -7.744 3.001 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.789 -7.484 0.778 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.404 -7.650 0.651 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.890 -9.150 1.458 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.261 -9.175 0.323 1.00 1.00 H new ATOM 170 N PRO A 213 -12.440 -10.197 2.006 1.00 1.00 N ATOM 171 CA PRO A 213 -13.408 -10.877 1.133 1.00 1.00 C ATOM 172 C PRO A 213 -13.160 -10.593 -0.346 1.00 1.00 C ATOM 173 O PRO A 213 -13.436 -11.431 -1.206 1.00 1.00 O ATOM 174 CB PRO A 213 -14.767 -10.308 1.569 1.00 1.00 C ATOM 175 CG PRO A 213 -14.446 -9.077 2.348 1.00 1.00 C ATOM 176 CD PRO A 213 -13.110 -9.328 2.986 1.00 1.00 C ATOM 0 HA PRO A 213 -13.340 -11.961 1.230 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.391 -10.076 0.706 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.317 -11.026 2.177 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.410 -8.202 1.698 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.208 -8.883 3.102 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.559 -8.402 3.149 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.210 -9.814 3.956 1.00 1.00 H new ATOM 184 N LEU A 214 -12.633 -9.412 -0.633 1.00 1.00 N ATOM 185 CA LEU A 214 -12.341 -9.014 -2.000 1.00 1.00 C ATOM 186 C LEU A 214 -11.288 -7.915 -2.011 1.00 1.00 C ATOM 187 O LEU A 214 -11.100 -7.216 -1.012 1.00 1.00 O ATOM 188 CB LEU A 214 -13.618 -8.534 -2.705 1.00 1.00 C ATOM 189 CG LEU A 214 -13.473 -8.236 -4.202 1.00 1.00 C ATOM 190 CD1 LEU A 214 -13.085 -9.495 -4.965 1.00 1.00 C ATOM 191 CD2 LEU A 214 -14.764 -7.652 -4.749 1.00 1.00 C ATOM 0 H LEU A 214 -12.398 -8.709 0.068 1.00 1.00 H new ATOM 0 HA LEU A 214 -11.954 -9.879 -2.539 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.390 -9.293 -2.576 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -13.971 -7.632 -2.205 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.678 -7.502 -4.335 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -12.987 -9.262 -6.025 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -12.134 -9.871 -4.587 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -13.855 -10.254 -4.830 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.648 -7.445 -5.813 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.576 -8.365 -4.605 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -14.996 -6.726 -4.222 1.00 1.00 H new ATOM 203 N TRP A 215 -10.603 -7.778 -3.136 1.00 1.00 N ATOM 204 CA TRP A 215 -9.574 -6.763 -3.296 1.00 1.00 C ATOM 205 C TRP A 215 -10.047 -5.703 -4.283 1.00 1.00 C ATOM 206 O TRP A 215 -10.687 -6.021 -5.288 1.00 1.00 O ATOM 207 CB TRP A 215 -8.263 -7.387 -3.796 1.00 1.00 C ATOM 208 CG TRP A 215 -7.560 -8.218 -2.765 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.794 -9.530 -2.475 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.504 -7.797 -1.894 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.952 -9.950 -1.475 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.149 -8.904 -1.101 1.00 1.00 C ATOM 213 CE3 TRP A 215 -5.824 -6.591 -1.707 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.146 -8.838 -0.136 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -4.830 -6.526 -0.751 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.498 -7.644 0.024 1.00 1.00 C ATOM 0 H TRP A 215 -10.744 -8.364 -3.959 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.389 -6.303 -2.325 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.475 -8.007 -4.667 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.595 -6.592 -4.126 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.534 -10.149 -2.961 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.928 -10.888 -1.075 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.072 -5.724 -2.301 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -4.889 -9.699 0.464 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.300 -5.598 -0.598 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -3.715 -7.562 0.763 1.00 1.00 H new ATOM 227 N ARG A 216 -9.734 -4.452 -3.997 1.00 1.00 N ATOM 228 CA ARG A 216 -10.123 -3.350 -4.861 1.00 1.00 C ATOM 229 C ARG A 216 -8.885 -2.591 -5.319 1.00 1.00 C ATOM 230 O ARG A 216 -8.038 -2.226 -4.507 1.00 1.00 O ATOM 231 CB ARG A 216 -11.077 -2.404 -4.122 1.00 1.00 C ATOM 232 CG ARG A 216 -11.683 -1.326 -5.008 1.00 1.00 C ATOM 233 CD ARG A 216 -12.675 -1.912 -6.001 1.00 1.00 C ATOM 234 NE ARG A 216 -13.122 -0.922 -6.984 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.934 -1.199 -8.009 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.451 -2.419 -8.138 1.00 1.00 N ATOM 237 NH2 ARG A 216 -14.249 -0.253 -8.888 1.00 1.00 N ATOM 0 H ARG A 216 -9.209 -4.172 -3.169 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.639 -3.752 -5.733 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.881 -2.990 -3.677 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.539 -1.927 -3.303 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.184 -0.583 -4.388 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -10.890 -0.808 -5.547 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.215 -2.754 -6.519 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.538 -2.303 -5.462 1.00 1.00 H new ATOM 0 HE ARG A 216 -12.793 0.038 -6.880 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -14.228 -3.142 -7.455 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -15.071 -2.630 -8.920 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.871 0.688 -8.782 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.869 -0.468 -9.669 1.00 1.00 H new ATOM 251 N ARG A 217 -8.768 -2.372 -6.616 1.00 1.00 N ATOM 252 CA ARG A 217 -7.625 -1.658 -7.152 1.00 1.00 C ATOM 253 C ARG A 217 -7.925 -0.173 -7.266 1.00 1.00 C ATOM 254 O ARG A 217 -8.988 0.220 -7.751 1.00 1.00 O ATOM 255 CB ARG A 217 -7.235 -2.219 -8.518 1.00 1.00 C ATOM 256 CG ARG A 217 -6.608 -3.601 -8.446 1.00 1.00 C ATOM 257 CD ARG A 217 -6.022 -4.016 -9.784 1.00 1.00 C ATOM 258 NE ARG A 217 -4.777 -3.310 -10.088 1.00 1.00 N ATOM 259 CZ ARG A 217 -4.273 -3.191 -11.318 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.942 -3.677 -12.360 1.00 1.00 N ATOM 261 NH2 ARG A 217 -3.109 -2.574 -11.505 1.00 1.00 N ATOM 0 H ARG A 217 -9.447 -2.677 -7.314 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.789 -1.793 -6.465 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.121 -2.263 -9.151 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.535 -1.535 -8.997 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -5.826 -3.608 -7.687 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.359 -4.327 -8.136 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -5.836 -5.090 -9.779 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -6.749 -3.822 -10.573 1.00 1.00 H new ATOM 0 HE ARG A 217 -4.265 -2.884 -9.315 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.840 -4.140 -12.219 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -4.557 -3.586 -13.300 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -2.601 -2.191 -10.708 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -2.725 -2.484 -12.446 1.00 1.00 H new ATOM 275 N ASP A 218 -6.990 0.643 -6.806 1.00 1.00 N ATOM 276 CA ASP A 218 -7.141 2.088 -6.862 1.00 1.00 C ATOM 277 C ASP A 218 -6.846 2.575 -8.281 1.00 1.00 C ATOM 278 O ASP A 218 -6.258 1.841 -9.078 1.00 1.00 O ATOM 279 CB ASP A 218 -6.228 2.763 -5.820 1.00 1.00 C ATOM 280 CG ASP A 218 -5.077 3.545 -6.426 1.00 1.00 C ATOM 281 OD1 ASP A 218 -4.018 2.945 -6.704 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.224 4.767 -6.626 1.00 1.00 O ATOM 0 H ASP A 218 -6.115 0.327 -6.388 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.167 2.362 -6.616 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -6.828 3.435 -5.207 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.825 1.999 -5.155 1.00 1.00 H new ATOM 287 N ARG A 219 -7.242 3.805 -8.592 1.00 1.00 N ATOM 288 CA ARG A 219 -7.044 4.364 -9.929 1.00 1.00 C ATOM 289 C ARG A 219 -5.567 4.433 -10.315 1.00 1.00 C ATOM 290 O ARG A 219 -5.226 4.389 -11.499 1.00 1.00 O ATOM 291 CB ARG A 219 -7.687 5.749 -10.027 1.00 1.00 C ATOM 292 CG ARG A 219 -7.797 6.289 -11.448 1.00 1.00 C ATOM 293 CD ARG A 219 -8.499 5.311 -12.382 1.00 1.00 C ATOM 294 NE ARG A 219 -7.578 4.325 -12.948 1.00 1.00 N ATOM 295 CZ ARG A 219 -7.949 3.332 -13.758 1.00 1.00 C ATOM 296 NH1 ARG A 219 -9.224 3.185 -14.106 1.00 1.00 N ATOM 297 NH2 ARG A 219 -7.040 2.477 -14.213 1.00 1.00 N ATOM 0 H ARG A 219 -7.703 4.436 -7.937 1.00 1.00 H new ATOM 0 HA ARG A 219 -7.530 3.692 -10.636 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -8.684 5.706 -9.589 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -7.106 6.450 -9.428 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.343 7.232 -11.435 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -6.800 6.503 -11.832 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.290 4.795 -11.837 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.977 5.864 -13.190 1.00 1.00 H new ATOM 0 HE ARG A 219 -6.590 4.402 -12.708 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.927 3.834 -13.753 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.499 2.423 -14.726 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -6.062 2.581 -13.943 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.320 1.717 -14.832 1.00 1.00 H new ATOM 311 N THR A 220 -4.691 4.543 -9.332 1.00 1.00 N ATOM 312 CA THR A 220 -3.261 4.596 -9.601 1.00 1.00 C ATOM 313 C THR A 220 -2.737 3.207 -9.979 1.00 1.00 C ATOM 314 O THR A 220 -1.646 3.071 -10.530 1.00 1.00 O ATOM 315 CB THR A 220 -2.480 5.139 -8.390 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.267 6.119 -7.697 1.00 1.00 O ATOM 317 CG2 THR A 220 -1.166 5.769 -8.828 1.00 1.00 C ATOM 0 H THR A 220 -4.941 4.597 -8.345 1.00 1.00 H new ATOM 0 HA THR A 220 -3.108 5.278 -10.437 1.00 1.00 H new ATOM 0 HB THR A 220 -2.264 4.303 -7.725 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.810 5.677 -7.011 1.00 1.00 H new ATOM 0 HG21 THR A 220 -0.634 6.145 -7.954 1.00 1.00 H new ATOM 0 HG22 THR A 220 -0.554 5.021 -9.332 1.00 1.00 H new ATOM 0 HG23 THR A 220 -1.368 6.593 -9.512 1.00 1.00 H new ATOM 325 N GLY A 221 -3.525 2.179 -9.677 1.00 1.00 N ATOM 326 CA GLY A 221 -3.141 0.821 -10.014 1.00 1.00 C ATOM 327 C GLY A 221 -2.700 -0.001 -8.817 1.00 1.00 C ATOM 328 O GLY A 221 -2.202 -1.115 -8.982 1.00 1.00 O ATOM 0 H GLY A 221 -4.425 2.264 -9.204 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -3.983 0.323 -10.496 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -2.330 0.852 -10.742 1.00 1.00 H new ATOM 332 N HIS A 222 -2.895 0.522 -7.613 1.00 1.00 N ATOM 333 CA HIS A 222 -2.489 -0.193 -6.404 1.00 1.00 C ATOM 334 C HIS A 222 -3.542 -1.211 -5.991 1.00 1.00 C ATOM 335 O HIS A 222 -4.701 -1.115 -6.389 1.00 1.00 O ATOM 336 CB HIS A 222 -2.245 0.774 -5.245 1.00 1.00 C ATOM 337 CG HIS A 222 -1.181 1.790 -5.517 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.467 3.073 -5.914 1.00 1.00 N ATOM 339 CD2 HIS A 222 0.169 1.713 -5.438 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.344 3.745 -6.065 1.00 1.00 C ATOM 341 NE2 HIS A 222 0.662 2.946 -5.784 1.00 1.00 N ATOM 0 H HIS A 222 -3.328 1.430 -7.445 1.00 1.00 H new ATOM 0 HA HIS A 222 -1.559 -0.712 -6.636 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -3.176 1.291 -5.014 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.969 0.202 -4.359 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -2.403 3.447 -6.068 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.748 0.846 -5.156 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.263 4.778 -6.369 1.00 1.00 H new ATOM 0 HE2 HIS A 222 1.649 3.201 -5.818 1.00 1.00 H new ATOM 350 N TYR A 223 -3.125 -2.177 -5.188 1.00 1.00 N ATOM 351 CA TYR A 223 -4.016 -3.219 -4.705 1.00 1.00 C ATOM 352 C TYR A 223 -4.388 -2.949 -3.252 1.00 1.00 C ATOM 353 O TYR A 223 -3.523 -2.923 -2.381 1.00 1.00 O ATOM 354 CB TYR A 223 -3.349 -4.592 -4.838 1.00 1.00 C ATOM 355 CG TYR A 223 -3.097 -5.009 -6.273 1.00 1.00 C ATOM 356 CD1 TYR A 223 -2.029 -4.487 -6.994 1.00 1.00 C ATOM 357 CD2 TYR A 223 -3.935 -5.915 -6.908 1.00 1.00 C ATOM 358 CE1 TYR A 223 -1.802 -4.859 -8.306 1.00 1.00 C ATOM 359 CE2 TYR A 223 -3.715 -6.292 -8.221 1.00 1.00 C ATOM 360 CZ TYR A 223 -2.648 -5.759 -8.915 1.00 1.00 C ATOM 361 OH TYR A 223 -2.429 -6.126 -10.224 1.00 1.00 O ATOM 0 H TYR A 223 -2.165 -2.261 -4.854 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.924 -3.217 -5.308 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.401 -4.579 -4.301 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.978 -5.340 -4.356 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -1.365 -3.779 -6.521 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.772 -6.332 -6.369 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -0.966 -4.446 -8.850 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -4.375 -7.000 -8.700 1.00 1.00 H new ATOM 0 HH TYR A 223 -3.114 -6.769 -10.503 1.00 1.00 H new ATOM 371 N LEU A 224 -5.668 -2.722 -3.008 1.00 1.00 N ATOM 372 CA LEU A 224 -6.160 -2.448 -1.665 1.00 1.00 C ATOM 373 C LEU A 224 -7.225 -3.471 -1.289 1.00 1.00 C ATOM 374 O LEU A 224 -7.749 -4.170 -2.158 1.00 1.00 O ATOM 375 CB LEU A 224 -6.743 -1.034 -1.594 1.00 1.00 C ATOM 376 CG LEU A 224 -5.813 0.084 -2.076 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.595 1.371 -2.296 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.684 0.308 -1.080 1.00 1.00 C ATOM 0 H LEU A 224 -6.391 -2.722 -3.727 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.330 -2.520 -0.962 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.656 -1.005 -2.188 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.027 -0.828 -0.562 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.376 -0.219 -3.027 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.918 2.154 -2.638 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.366 1.204 -3.048 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.061 1.678 -1.360 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.034 1.106 -1.440 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.102 0.589 -0.113 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.106 -0.610 -0.973 1.00 1.00 H new ATOM 390 N CYS A 225 -7.548 -3.559 -0.006 1.00 1.00 N ATOM 391 CA CYS A 225 -8.546 -4.507 0.459 1.00 1.00 C ATOM 392 C CYS A 225 -9.939 -3.882 0.433 1.00 1.00 C ATOM 393 O CYS A 225 -10.177 -2.886 -0.253 1.00 1.00 O ATOM 394 CB CYS A 225 -8.206 -4.965 1.878 1.00 1.00 C ATOM 395 SG CYS A 225 -7.959 -3.596 3.052 1.00 1.00 S ATOM 0 H CYS A 225 -7.133 -2.986 0.729 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.543 -5.369 -0.209 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -9.008 -5.606 2.245 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.301 -5.572 1.847 1.00 1.00 H new ATOM 0 HG CYS A 225 -6.760 -3.114 2.910 1.00 1.00 H new ATOM 400 N ASN A 226 -10.849 -4.468 1.197 1.00 1.00 N ATOM 401 CA ASN A 226 -12.217 -3.974 1.281 1.00 1.00 C ATOM 402 C ASN A 226 -12.300 -2.860 2.318 1.00 1.00 C ATOM 403 O ASN A 226 -13.279 -2.117 2.369 1.00 1.00 O ATOM 404 CB ASN A 226 -13.169 -5.117 1.661 1.00 1.00 C ATOM 405 CG ASN A 226 -14.589 -4.935 1.137 1.00 1.00 C ATOM 406 OD1 ASN A 226 -15.224 -5.898 0.707 1.00 1.00 O ATOM 407 ND2 ASN A 226 -15.110 -3.717 1.186 1.00 1.00 N ATOM 0 H ASN A 226 -10.664 -5.291 1.771 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.513 -3.580 0.309 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.767 -6.055 1.277 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.201 -5.205 2.747 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -16.064 -3.557 0.862 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.557 -2.940 1.548 1.00 1.00 H new ATOM 414 N ALA A 227 -11.257 -2.739 3.133 1.00 1.00 N ATOM 415 CA ALA A 227 -11.219 -1.723 4.174 1.00 1.00 C ATOM 416 C ALA A 227 -10.403 -0.519 3.725 1.00 1.00 C ATOM 417 O ALA A 227 -10.933 0.585 3.583 1.00 1.00 O ATOM 418 CB ALA A 227 -10.652 -2.302 5.459 1.00 1.00 C ATOM 0 H ALA A 227 -10.428 -3.332 3.091 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.239 -1.390 4.364 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.630 -1.529 6.228 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.279 -3.129 5.793 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.640 -2.664 5.279 1.00 1.00 H new ATOM 424 N CYS A 228 -9.117 -0.743 3.481 1.00 1.00 N ATOM 425 CA CYS A 228 -8.223 0.322 3.050 1.00 1.00 C ATOM 426 C CYS A 228 -8.634 0.847 1.673 1.00 1.00 C ATOM 427 O CYS A 228 -8.486 2.034 1.371 1.00 1.00 O ATOM 428 CB CYS A 228 -6.787 -0.195 3.033 1.00 1.00 C ATOM 429 SG CYS A 228 -6.337 -1.143 4.531 1.00 1.00 S ATOM 0 H CYS A 228 -8.670 -1.655 3.575 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.289 1.153 3.753 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.647 -0.827 2.156 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.106 0.650 2.929 1.00 1.00 H new ATOM 0 HG CYS A 228 -6.996 -2.264 4.549 1.00 1.00 H new ATOM 434 N GLY A 229 -9.166 -0.047 0.851 1.00 1.00 N ATOM 435 CA GLY A 229 -9.615 0.336 -0.473 1.00 1.00 C ATOM 436 C GLY A 229 -10.840 1.223 -0.411 1.00 1.00 C ATOM 437 O GLY A 229 -10.976 2.171 -1.188 1.00 1.00 O ATOM 0 H GLY A 229 -9.295 -1.033 1.078 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.812 0.859 -0.993 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -9.841 -0.558 -1.054 1.00 1.00 H new ATOM 441 N LEU A 230 -11.722 0.928 0.537 1.00 1.00 N ATOM 442 CA LEU A 230 -12.943 1.701 0.722 1.00 1.00 C ATOM 443 C LEU A 230 -12.604 3.115 1.182 1.00 1.00 C ATOM 444 O LEU A 230 -13.256 4.084 0.787 1.00 1.00 O ATOM 445 CB LEU A 230 -13.853 1.021 1.744 1.00 1.00 C ATOM 446 CG LEU A 230 -15.249 1.632 1.883 1.00 1.00 C ATOM 447 CD1 LEU A 230 -16.129 1.238 0.703 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.889 1.206 3.195 1.00 1.00 C ATOM 0 H LEU A 230 -11.613 0.154 1.193 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.468 1.756 -0.231 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.959 -0.029 1.470 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -13.363 1.049 2.717 1.00 1.00 H new ATOM 0 HG LEU A 230 -15.149 2.717 1.886 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -17.117 1.683 0.821 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.678 1.596 -0.223 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.222 0.153 0.665 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.881 1.650 3.277 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.974 0.120 3.222 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -15.271 1.543 4.027 1.00 1.00 H new ATOM 460 N TYR A 231 -11.568 3.224 2.006 1.00 1.00 N ATOM 461 CA TYR A 231 -11.119 4.514 2.517 1.00 1.00 C ATOM 462 C TYR A 231 -10.720 5.436 1.368 1.00 1.00 C ATOM 463 O TYR A 231 -11.110 6.599 1.332 1.00 1.00 O ATOM 464 CB TYR A 231 -9.942 4.320 3.488 1.00 1.00 C ATOM 465 CG TYR A 231 -8.992 5.502 3.556 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.309 6.638 4.289 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.778 5.476 2.881 1.00 1.00 C ATOM 468 CE1 TYR A 231 -8.446 7.719 4.338 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.911 6.549 2.927 1.00 1.00 C ATOM 470 CZ TYR A 231 -7.245 7.667 3.657 1.00 1.00 C ATOM 471 OH TYR A 231 -6.381 8.740 3.698 1.00 1.00 O ATOM 0 H TYR A 231 -11.020 2.429 2.336 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.943 4.980 3.058 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.336 4.127 4.486 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -9.381 3.434 3.190 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -10.243 6.679 4.829 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.508 4.600 2.310 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -8.710 8.599 4.906 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.974 6.511 2.392 1.00 1.00 H new ATOM 0 HH TYR A 231 -6.486 9.212 4.551 1.00 1.00 H new ATOM 481 N HIS A 232 -9.970 4.897 0.414 1.00 1.00 N ATOM 482 CA HIS A 232 -9.502 5.678 -0.732 1.00 1.00 C ATOM 483 C HIS A 232 -10.671 6.182 -1.577 1.00 1.00 C ATOM 484 O HIS A 232 -10.560 7.190 -2.277 1.00 1.00 O ATOM 485 CB HIS A 232 -8.562 4.839 -1.599 1.00 1.00 C ATOM 486 CG HIS A 232 -7.483 5.640 -2.255 1.00 1.00 C ATOM 487 ND1 HIS A 232 -7.583 6.134 -3.538 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.271 6.029 -1.797 1.00 1.00 C ATOM 489 CE1 HIS A 232 -6.477 6.789 -3.841 1.00 1.00 C ATOM 490 NE2 HIS A 232 -5.668 6.740 -2.800 1.00 1.00 N ATOM 0 H HIS A 232 -9.671 3.922 0.409 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.962 6.542 -0.345 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -8.105 4.065 -0.982 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.145 4.331 -2.367 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.856 5.818 -0.822 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -6.270 7.281 -4.780 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -4.742 7.164 -2.750 1.00 1.00 H new ATOM 499 N LYS A 233 -11.788 5.479 -1.504 1.00 1.00 N ATOM 500 CA LYS A 233 -12.980 5.840 -2.257 1.00 1.00 C ATOM 501 C LYS A 233 -13.820 6.865 -1.493 1.00 1.00 C ATOM 502 O LYS A 233 -14.148 7.928 -2.023 1.00 1.00 O ATOM 503 CB LYS A 233 -13.810 4.586 -2.537 1.00 1.00 C ATOM 504 CG LYS A 233 -15.038 4.832 -3.397 1.00 1.00 C ATOM 505 CD LYS A 233 -15.817 3.546 -3.604 1.00 1.00 C ATOM 506 CE LYS A 233 -16.981 3.738 -4.559 1.00 1.00 C ATOM 507 NZ LYS A 233 -17.723 2.470 -4.780 1.00 1.00 N ATOM 0 H LYS A 233 -11.896 4.646 -0.925 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.671 6.290 -3.201 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.177 3.847 -3.029 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.126 4.153 -1.588 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.677 5.577 -2.922 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.736 5.239 -4.362 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.151 2.776 -3.994 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -16.190 3.189 -2.644 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -17.659 4.492 -4.160 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -16.611 4.115 -5.513 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -18.511 2.639 -5.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -17.081 1.758 -5.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -18.097 2.124 -3.873 1.00 1.00 H new ATOM 521 N MET A 234 -14.143 6.541 -0.245 1.00 1.00 N ATOM 522 CA MET A 234 -14.960 7.412 0.602 1.00 1.00 C ATOM 523 C MET A 234 -14.253 8.729 0.926 1.00 1.00 C ATOM 524 O MET A 234 -14.860 9.799 0.858 1.00 1.00 O ATOM 525 CB MET A 234 -15.333 6.681 1.897 1.00 1.00 C ATOM 526 CG MET A 234 -16.027 7.560 2.927 1.00 1.00 C ATOM 527 SD MET A 234 -16.430 6.678 4.448 1.00 1.00 S ATOM 528 CE MET A 234 -16.772 8.051 5.549 1.00 1.00 C ATOM 0 H MET A 234 -13.850 5.675 0.208 1.00 1.00 H new ATOM 0 HA MET A 234 -15.865 7.657 0.046 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.984 5.841 1.653 1.00 1.00 H new ATOM 0 HB3 MET A 234 -14.428 6.265 2.340 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.385 8.408 3.164 1.00 1.00 H new ATOM 0 HG3 MET A 234 -16.942 7.964 2.494 1.00 1.00 H new ATOM 0 HE1 MET A 234 -17.038 7.669 6.535 1.00 1.00 H new ATOM 0 HE2 MET A 234 -15.886 8.681 5.631 1.00 1.00 H new ATOM 0 HE3 MET A 234 -17.600 8.638 5.152 1.00 1.00 H new ATOM 538 N ASN A 235 -12.976 8.652 1.278 1.00 1.00 N ATOM 539 CA ASN A 235 -12.206 9.846 1.619 1.00 1.00 C ATOM 540 C ASN A 235 -12.088 10.775 0.418 1.00 1.00 C ATOM 541 O ASN A 235 -12.093 11.998 0.558 1.00 1.00 O ATOM 542 CB ASN A 235 -10.805 9.464 2.104 1.00 1.00 C ATOM 543 CG ASN A 235 -9.970 10.672 2.494 1.00 1.00 C ATOM 544 OD1 ASN A 235 -10.463 11.607 3.123 1.00 1.00 O ATOM 545 ND2 ASN A 235 -8.702 10.664 2.112 1.00 1.00 N ATOM 0 H ASN A 235 -12.451 7.779 1.335 1.00 1.00 H new ATOM 0 HA ASN A 235 -12.734 10.364 2.419 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -10.891 8.795 2.960 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -10.291 8.911 1.318 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -8.096 11.453 2.338 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -8.331 9.869 1.592 1.00 1.00 H new ATOM 552 N GLY A 236 -11.980 10.188 -0.764 1.00 1.00 N ATOM 553 CA GLY A 236 -11.849 10.975 -1.969 1.00 1.00 C ATOM 554 C GLY A 236 -10.404 11.323 -2.253 1.00 1.00 C ATOM 555 O GLY A 236 -9.920 11.140 -3.371 1.00 1.00 O ATOM 0 H GLY A 236 -11.981 9.178 -0.909 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -12.263 10.422 -2.812 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -12.432 11.891 -1.871 1.00 1.00 H new ATOM 559 N GLN A 237 -9.715 11.819 -1.233 1.00 1.00 N ATOM 560 CA GLN A 237 -8.313 12.193 -1.354 1.00 1.00 C ATOM 561 C GLN A 237 -7.416 10.974 -1.155 1.00 1.00 C ATOM 562 O GLN A 237 -7.901 9.845 -1.048 1.00 1.00 O ATOM 563 CB GLN A 237 -7.960 13.275 -0.328 1.00 1.00 C ATOM 564 CG GLN A 237 -8.823 14.523 -0.425 1.00 1.00 C ATOM 565 CD GLN A 237 -8.344 15.629 0.495 1.00 1.00 C ATOM 566 OE1 GLN A 237 -8.747 15.708 1.655 1.00 1.00 O ATOM 567 NE2 GLN A 237 -7.484 16.494 -0.018 1.00 1.00 N ATOM 0 H GLN A 237 -10.110 11.972 -0.305 1.00 1.00 H new ATOM 0 HA GLN A 237 -8.149 12.589 -2.356 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -8.056 12.856 0.674 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -6.915 13.557 -0.457 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -8.822 14.883 -1.454 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -9.854 14.269 -0.178 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -7.175 16.393 -0.985 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -7.130 17.261 0.553 1.00 1.00 H new ATOM 576 N ASN A 238 -6.114 11.208 -1.092 1.00 1.00 N ATOM 577 CA ASN A 238 -5.154 10.132 -0.914 1.00 1.00 C ATOM 578 C ASN A 238 -4.548 10.190 0.482 1.00 1.00 C ATOM 579 O ASN A 238 -3.557 10.930 0.674 1.00 1.00 O ATOM 580 CB ASN A 238 -4.054 10.223 -1.974 1.00 1.00 C ATOM 581 CG ASN A 238 -3.094 9.049 -1.916 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.299 8.032 -2.581 1.00 1.00 O ATOM 583 ND2 ASN A 238 -2.042 9.179 -1.123 1.00 1.00 N ATOM 0 H ASN A 238 -5.698 12.137 -1.162 1.00 1.00 H new ATOM 0 HA ASN A 238 -5.672 9.180 -1.029 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -4.510 10.267 -2.963 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -3.498 11.150 -1.837 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.365 8.420 -1.046 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -1.909 10.038 -0.589 1.00 1.00 H new ATOM 591 N GLY B 1 26.843 7.270 -9.038 1.00 1.00 N ATOM 592 CA GLY B 1 27.172 7.249 -7.595 1.00 1.00 C ATOM 593 C GLY B 1 25.970 6.907 -6.738 1.00 1.00 C ATOM 594 O GLY B 1 24.856 6.786 -7.252 1.00 1.00 O ATOM 0 H1 GLY B 1 27.349 6.500 -9.521 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.818 7.143 -9.162 1.00 1.00 H new ATOM 0 H3 GLY B 1 27.130 8.182 -9.446 1.00 1.00 H new ATOM 0 HA2 GLY B 1 27.963 6.521 -7.415 1.00 1.00 H new ATOM 0 HA3 GLY B 1 27.562 8.223 -7.299 1.00 1.00 H new ATOM 600 N SER B 2 26.206 6.749 -5.436 1.00 1.00 N ATOM 601 CA SER B 2 25.151 6.419 -4.477 1.00 1.00 C ATOM 602 C SER B 2 24.443 5.118 -4.867 1.00 1.00 C ATOM 603 O SER B 2 25.095 4.125 -5.195 1.00 1.00 O ATOM 604 CB SER B 2 24.150 7.574 -4.381 1.00 1.00 C ATOM 605 OG SER B 2 24.817 8.824 -4.337 1.00 1.00 O ATOM 0 H SER B 2 27.131 6.846 -5.017 1.00 1.00 H new ATOM 0 HA SER B 2 25.607 6.269 -3.499 1.00 1.00 H new ATOM 0 HB2 SER B 2 23.476 7.548 -5.237 1.00 1.00 H new ATOM 0 HB3 SER B 2 23.536 7.454 -3.488 1.00 1.00 H new ATOM 0 HG SER B 2 24.156 9.545 -4.278 1.00 1.00 H new ATOM 611 N LEU B 3 23.116 5.120 -4.821 1.00 1.00 N ATOM 612 CA LEU B 3 22.342 3.945 -5.180 1.00 1.00 C ATOM 613 C LEU B 3 21.273 4.303 -6.205 1.00 1.00 C ATOM 614 O LEU B 3 21.131 3.619 -7.221 1.00 1.00 O ATOM 615 CB LEU B 3 21.704 3.310 -3.938 1.00 1.00 C ATOM 616 CG LEU B 3 20.959 4.273 -3.007 1.00 1.00 C ATOM 617 CD1 LEU B 3 19.629 3.674 -2.575 1.00 1.00 C ATOM 618 CD2 LEU B 3 21.810 4.605 -1.790 1.00 1.00 C ATOM 0 H LEU B 3 22.556 5.924 -4.538 1.00 1.00 H new ATOM 0 HA LEU B 3 23.019 3.215 -5.625 1.00 1.00 H new ATOM 0 HB2 LEU B 3 21.007 2.538 -4.265 1.00 1.00 H new ATOM 0 HB3 LEU B 3 22.486 2.812 -3.365 1.00 1.00 H new ATOM 0 HG LEU B 3 20.763 5.195 -3.554 1.00 1.00 H new ATOM 0 HD11 LEU B 3 19.113 4.371 -1.914 1.00 1.00 H new ATOM 0 HD12 LEU B 3 19.013 3.484 -3.454 1.00 1.00 H new ATOM 0 HD13 LEU B 3 19.806 2.737 -2.047 1.00 1.00 H new ATOM 0 HD21 LEU B 3 21.265 5.290 -1.141 1.00 1.00 H new ATOM 0 HD22 LEU B 3 22.036 3.689 -1.244 1.00 1.00 H new ATOM 0 HD23 LEU B 3 22.739 5.074 -2.113 1.00 1.00 H new ATOM 630 N LEU B 4 20.542 5.389 -5.930 1.00 1.00 N ATOM 631 CA LEU B 4 19.471 5.886 -6.801 1.00 1.00 C ATOM 632 C LEU B 4 18.271 4.939 -6.817 1.00 1.00 C ATOM 633 O LEU B 4 17.187 5.287 -6.347 1.00 1.00 O ATOM 634 CB LEU B 4 19.983 6.118 -8.232 1.00 1.00 C ATOM 635 CG LEU B 4 20.204 7.584 -8.623 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.900 8.358 -8.537 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.262 8.225 -7.738 1.00 1.00 C ATOM 0 H LEU B 4 20.678 5.952 -5.090 1.00 1.00 H new ATOM 0 HA LEU B 4 19.142 6.841 -6.390 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.924 5.581 -8.354 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.271 5.677 -8.930 1.00 1.00 H new ATOM 0 HG LEU B 4 20.558 7.613 -9.653 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.074 9.397 -8.818 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.169 7.917 -9.215 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.519 8.317 -7.517 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.402 9.265 -8.033 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.940 8.184 -6.698 1.00 1.00 H new ATOM 0 HD23 LEU B 4 22.203 7.686 -7.848 1.00 1.00 H new ATOM 649 N LYS B 5 18.476 3.747 -7.349 1.00 1.00 N ATOM 650 CA LYS B 5 17.422 2.751 -7.443 1.00 1.00 C ATOM 651 C LYS B 5 17.358 1.920 -6.164 1.00 1.00 C ATOM 652 O LYS B 5 18.365 1.352 -5.731 1.00 1.00 O ATOM 653 CB LYS B 5 17.666 1.846 -8.653 1.00 1.00 C ATOM 654 CG LYS B 5 17.990 2.612 -9.926 1.00 1.00 C ATOM 655 CD LYS B 5 18.239 1.674 -11.098 1.00 1.00 C ATOM 656 CE LYS B 5 16.945 1.061 -11.601 1.00 1.00 C ATOM 657 NZ LYS B 5 17.188 -0.028 -12.586 1.00 1.00 N ATOM 0 H LYS B 5 19.373 3.443 -7.727 1.00 1.00 H new ATOM 0 HA LYS B 5 16.467 3.261 -7.570 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.487 1.166 -8.428 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.781 1.232 -8.822 1.00 1.00 H new ATOM 0 HG2 LYS B 5 17.166 3.284 -10.166 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.871 3.233 -9.763 1.00 1.00 H new ATOM 0 HD2 LYS B 5 18.723 2.221 -11.907 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.924 0.883 -10.794 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.379 0.666 -10.757 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.332 1.836 -12.062 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 16.278 -0.419 -12.903 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 17.705 0.353 -13.404 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 17.751 -0.780 -12.140 1.00 1.00 H new ATOM 671 N PRO B 6 16.175 1.853 -5.539 1.00 1.00 N ATOM 672 CA PRO B 6 15.969 1.101 -4.304 1.00 1.00 C ATOM 673 C PRO B 6 15.851 -0.401 -4.553 1.00 1.00 C ATOM 674 O PRO B 6 14.957 -0.857 -5.267 1.00 1.00 O ATOM 675 CB PRO B 6 14.644 1.657 -3.749 1.00 1.00 C ATOM 676 CG PRO B 6 14.233 2.757 -4.675 1.00 1.00 C ATOM 677 CD PRO B 6 14.940 2.507 -5.974 1.00 1.00 C ATOM 0 HA PRO B 6 16.810 1.215 -3.620 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.882 0.878 -3.707 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.774 2.031 -2.733 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.152 2.762 -4.816 1.00 1.00 H new ATOM 0 HG3 PRO B 6 14.505 3.730 -4.266 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.356 1.871 -6.639 1.00 1.00 H new ATOM 0 HD3 PRO B 6 15.139 3.433 -6.513 1.00 1.00 H new ATOM 685 N ALA B 7 16.756 -1.166 -3.963 1.00 1.00 N ATOM 686 CA ALA B 7 16.746 -2.612 -4.119 1.00 1.00 C ATOM 687 C ALA B 7 16.049 -3.276 -2.938 1.00 1.00 C ATOM 688 O ALA B 7 15.984 -4.500 -2.847 1.00 1.00 O ATOM 689 CB ALA B 7 18.167 -3.136 -4.264 1.00 1.00 C ATOM 0 H ALA B 7 17.507 -0.810 -3.372 1.00 1.00 H new ATOM 0 HA ALA B 7 16.190 -2.858 -5.024 1.00 1.00 H new ATOM 0 HB1 ALA B 7 18.145 -4.220 -4.380 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.633 -2.686 -5.141 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.742 -2.878 -3.375 1.00 1.00 H new ATOM 695 N ARG B 8 15.522 -2.459 -2.037 1.00 1.00 N ATOM 696 CA ARG B 8 14.840 -2.963 -0.856 1.00 1.00 C ATOM 697 C ARG B 8 13.330 -2.867 -1.018 1.00 1.00 C ATOM 698 O ARG B 8 12.800 -1.809 -1.349 1.00 1.00 O ATOM 699 CB ARG B 8 15.279 -2.186 0.387 1.00 1.00 C ATOM 700 CG ARG B 8 16.728 -2.422 0.778 1.00 1.00 C ATOM 701 CD ARG B 8 16.963 -3.865 1.188 1.00 1.00 C ATOM 702 NE ARG B 8 18.340 -4.095 1.611 1.00 1.00 N ATOM 703 CZ ARG B 8 19.074 -5.142 1.237 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.575 -6.041 0.399 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.311 -5.284 1.698 1.00 1.00 N ATOM 0 H ARG B 8 15.554 -1.442 -2.103 1.00 1.00 H new ATOM 0 HA ARG B 8 15.110 -4.012 -0.734 1.00 1.00 H new ATOM 0 HB2 ARG B 8 15.129 -1.121 0.210 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.637 -2.464 1.223 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.378 -2.170 -0.060 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.997 -1.760 1.601 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.286 -4.126 2.001 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.726 -4.523 0.352 1.00 1.00 H new ATOM 0 HE ARG B 8 18.769 -3.410 2.233 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.627 -5.932 0.039 1.00 1.00 H new ATOM 0 HH12 ARG B 8 19.139 -6.842 0.114 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.699 -4.592 2.338 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.873 -6.086 1.412 1.00 1.00 H new ATOM 719 N PHE B 9 12.647 -3.980 -0.786 1.00 1.00 N ATOM 720 CA PHE B 9 11.193 -4.030 -0.897 1.00 1.00 C ATOM 721 C PHE B 9 10.573 -4.472 0.427 1.00 1.00 C ATOM 722 O PHE B 9 9.573 -5.193 0.456 1.00 1.00 O ATOM 723 CB PHE B 9 10.773 -4.976 -2.030 1.00 1.00 C ATOM 724 CG PHE B 9 11.615 -6.224 -2.135 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.314 -7.351 -1.383 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.705 -6.268 -2.991 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.084 -8.494 -1.484 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.478 -7.409 -3.094 1.00 1.00 C ATOM 729 CZ PHE B 9 13.167 -8.522 -2.339 1.00 1.00 C ATOM 0 H PHE B 9 13.078 -4.865 -0.518 1.00 1.00 H new ATOM 0 HA PHE B 9 10.829 -3.030 -1.132 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.732 -5.264 -1.881 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.822 -4.437 -2.976 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.468 -7.334 -0.711 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.953 -5.400 -3.584 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.838 -9.365 -0.894 1.00 1.00 H new ATOM 0 HE2 PHE B 9 14.324 -7.430 -3.764 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.771 -9.414 -2.417 1.00 1.00 H new ATOM 739 N MET B 10 11.177 -4.028 1.518 1.00 1.00 N ATOM 740 CA MET B 10 10.710 -4.363 2.855 1.00 1.00 C ATOM 741 C MET B 10 11.073 -3.246 3.819 1.00 1.00 C ATOM 742 O MET B 10 12.252 -2.930 3.993 1.00 1.00 O ATOM 743 CB MET B 10 11.332 -5.681 3.329 1.00 1.00 C ATOM 744 CG MET B 10 11.002 -6.031 4.774 1.00 1.00 C ATOM 745 SD MET B 10 11.952 -7.444 5.373 1.00 1.00 S ATOM 746 CE MET B 10 11.136 -7.759 6.937 1.00 1.00 C ATOM 0 H MET B 10 12.001 -3.428 1.503 1.00 1.00 H new ATOM 0 HA MET B 10 9.627 -4.481 2.827 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.988 -6.488 2.682 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.415 -5.622 3.217 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.201 -5.167 5.409 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.938 -6.250 4.858 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.610 -8.607 7.430 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.216 -6.878 7.573 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.084 -7.984 6.760 1.00 1.00 H new ATOM 756 N CYS B 11 10.063 -2.638 4.422 1.00 1.00 N ATOM 757 CA CYS B 11 10.286 -1.562 5.369 1.00 1.00 C ATOM 758 C CYS B 11 10.929 -2.092 6.643 1.00 1.00 C ATOM 759 O CYS B 11 10.537 -3.138 7.169 1.00 1.00 O ATOM 760 CB CYS B 11 8.974 -0.858 5.691 1.00 1.00 C ATOM 761 SG CYS B 11 8.496 0.418 4.480 1.00 1.00 S ATOM 0 H CYS B 11 9.082 -2.873 4.271 1.00 1.00 H new ATOM 0 HA CYS B 11 10.966 -0.841 4.915 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.180 -1.602 5.751 1.00 1.00 H new ATOM 0 HB3 CYS B 11 9.054 -0.397 6.676 1.00 1.00 H new ATOM 0 HG CYS B 11 7.670 1.255 5.035 1.00 1.00 H new ATOM 766 N LEU B 12 11.916 -1.362 7.128 1.00 1.00 N ATOM 767 CA LEU B 12 12.638 -1.741 8.330 1.00 1.00 C ATOM 768 C LEU B 12 11.824 -1.452 9.600 1.00 1.00 C ATOM 769 O LEU B 12 11.621 -2.356 10.413 1.00 1.00 O ATOM 770 CB LEU B 12 13.994 -1.025 8.378 1.00 1.00 C ATOM 771 CG LEU B 12 14.834 -1.134 7.100 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.044 -0.219 7.175 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.277 -2.571 6.876 1.00 1.00 C ATOM 0 H LEU B 12 12.239 -0.493 6.703 1.00 1.00 H new ATOM 0 HA LEU B 12 12.806 -2.817 8.294 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.823 0.030 8.592 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.572 -1.430 9.209 1.00 1.00 H new ATOM 0 HG LEU B 12 14.216 -0.823 6.258 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.627 -0.311 6.259 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.713 0.813 7.292 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.661 -0.501 8.028 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.872 -2.630 5.965 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.877 -2.903 7.723 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.400 -3.211 6.779 1.00 1.00 H new ATOM 785 N PRO B 13 11.343 -0.201 9.806 1.00 1.00 N ATOM 786 CA PRO B 13 10.561 0.152 10.998 1.00 1.00 C ATOM 787 C PRO B 13 9.223 -0.578 11.048 1.00 1.00 C ATOM 788 O PRO B 13 8.803 -1.052 12.108 1.00 1.00 O ATOM 789 CB PRO B 13 10.333 1.665 10.864 1.00 1.00 C ATOM 790 CG PRO B 13 11.330 2.121 9.858 1.00 1.00 C ATOM 791 CD PRO B 13 11.520 0.965 8.923 1.00 1.00 C ATOM 0 HA PRO B 13 11.082 -0.129 11.913 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.316 1.883 10.538 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.477 2.171 11.819 1.00 1.00 H new ATOM 0 HG2 PRO B 13 10.973 3.002 9.324 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.270 2.397 10.336 1.00 1.00 H new ATOM 0 HD2 PRO B 13 10.789 0.975 8.114 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.507 0.976 8.461 1.00 1.00 H new ATOM 799 N CYS B 14 8.552 -0.649 9.904 1.00 1.00 N ATOM 800 CA CYS B 14 7.265 -1.317 9.802 1.00 1.00 C ATOM 801 C CYS B 14 7.413 -2.829 9.957 1.00 1.00 C ATOM 802 O CYS B 14 6.743 -3.448 10.788 1.00 1.00 O ATOM 803 CB CYS B 14 6.644 -0.980 8.454 1.00 1.00 C ATOM 804 SG CYS B 14 7.289 0.568 7.741 1.00 1.00 S ATOM 0 H CYS B 14 8.884 -0.247 9.027 1.00 1.00 H new ATOM 0 HA CYS B 14 6.618 -0.969 10.607 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.830 -1.799 7.759 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.563 -0.898 8.568 1.00 1.00 H new ATOM 0 HG CYS B 14 6.315 1.416 7.591 1.00 1.00 H new ATOM 809 N GLY B 15 8.291 -3.416 9.154 1.00 1.00 N ATOM 810 CA GLY B 15 8.516 -4.848 9.217 1.00 1.00 C ATOM 811 C GLY B 15 7.705 -5.612 8.187 1.00 1.00 C ATOM 812 O GLY B 15 7.789 -6.836 8.107 1.00 1.00 O ATOM 0 H GLY B 15 8.853 -2.925 8.458 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.576 -5.053 9.064 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.262 -5.208 10.214 1.00 1.00 H new ATOM 816 N ILE B 16 6.926 -4.888 7.395 1.00 1.00 N ATOM 817 CA ILE B 16 6.096 -5.503 6.369 1.00 1.00 C ATOM 818 C ILE B 16 6.844 -5.546 5.041 1.00 1.00 C ATOM 819 O ILE B 16 7.303 -4.516 4.541 1.00 1.00 O ATOM 820 CB ILE B 16 4.754 -4.749 6.196 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.968 -4.743 7.511 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.916 -5.371 5.087 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.076 -3.446 8.277 1.00 1.00 C ATOM 0 H ILE B 16 6.852 -3.872 7.444 1.00 1.00 H new ATOM 0 HA ILE B 16 5.872 -6.520 6.690 1.00 1.00 H new ATOM 0 HB ILE B 16 4.981 -3.720 5.917 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.918 -4.942 7.297 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.325 -5.558 8.141 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.980 -4.822 4.987 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.465 -5.325 4.147 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.702 -6.411 5.332 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.494 -3.517 9.196 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.121 -3.255 8.523 1.00 1.00 H new ATOM 0 HD13 ILE B 16 3.692 -2.629 7.666 1.00 1.00 H new ATOM 835 N ALA B 17 6.989 -6.744 4.496 1.00 1.00 N ATOM 836 CA ALA B 17 7.677 -6.933 3.230 1.00 1.00 C ATOM 837 C ALA B 17 6.683 -6.990 2.078 1.00 1.00 C ATOM 838 O ALA B 17 5.562 -7.469 2.236 1.00 1.00 O ATOM 839 CB ALA B 17 8.512 -8.202 3.269 1.00 1.00 C ATOM 0 H ALA B 17 6.636 -7.605 4.915 1.00 1.00 H new ATOM 0 HA ALA B 17 8.338 -6.082 3.069 1.00 1.00 H new ATOM 0 HB1 ALA B 17 9.022 -8.331 2.314 1.00 1.00 H new ATOM 0 HB2 ALA B 17 9.250 -8.127 4.068 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.864 -9.059 3.453 1.00 1.00 H new ATOM 845 N PHE B 18 7.100 -6.504 0.922 1.00 1.00 N ATOM 846 CA PHE B 18 6.246 -6.498 -0.255 1.00 1.00 C ATOM 847 C PHE B 18 6.850 -7.343 -1.364 1.00 1.00 C ATOM 848 O PHE B 18 8.026 -7.709 -1.313 1.00 1.00 O ATOM 849 CB PHE B 18 6.040 -5.067 -0.755 1.00 1.00 C ATOM 850 CG PHE B 18 4.807 -4.412 -0.210 1.00 1.00 C ATOM 851 CD1 PHE B 18 4.653 -4.221 1.153 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.800 -3.986 -1.059 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.516 -3.623 1.657 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.661 -3.388 -0.560 1.00 1.00 C ATOM 855 CZ PHE B 18 2.520 -3.204 0.800 1.00 1.00 C ATOM 0 H PHE B 18 8.028 -6.107 0.772 1.00 1.00 H new ATOM 0 HA PHE B 18 5.282 -6.923 0.025 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.909 -4.468 -0.484 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.986 -5.076 -1.844 1.00 1.00 H new ATOM 0 HD1 PHE B 18 5.431 -4.544 1.829 1.00 1.00 H new ATOM 0 HD2 PHE B 18 3.907 -4.123 -2.125 1.00 1.00 H new ATOM 0 HE1 PHE B 18 3.406 -3.483 2.722 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.881 -3.064 -1.233 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.631 -2.733 1.193 1.00 1.00 H new ATOM 865 N SER B 19 6.038 -7.660 -2.356 1.00 1.00 N ATOM 866 CA SER B 19 6.495 -8.439 -3.491 1.00 1.00 C ATOM 867 C SER B 19 6.444 -7.581 -4.748 1.00 1.00 C ATOM 868 O SER B 19 6.956 -7.960 -5.802 1.00 1.00 O ATOM 869 CB SER B 19 5.642 -9.702 -3.663 1.00 1.00 C ATOM 870 OG SER B 19 4.265 -9.390 -3.834 1.00 1.00 O ATOM 0 H SER B 19 5.056 -7.389 -2.398 1.00 1.00 H new ATOM 0 HA SER B 19 7.524 -8.754 -3.315 1.00 1.00 H new ATOM 0 HB2 SER B 19 5.997 -10.266 -4.526 1.00 1.00 H new ATOM 0 HB3 SER B 19 5.764 -10.344 -2.791 1.00 1.00 H new ATOM 0 HG SER B 19 4.147 -8.417 -3.829 1.00 1.00 H new ATOM 876 N SER B 20 5.831 -6.412 -4.617 1.00 1.00 N ATOM 877 CA SER B 20 5.693 -5.486 -5.725 1.00 1.00 C ATOM 878 C SER B 20 6.065 -4.070 -5.284 1.00 1.00 C ATOM 879 O SER B 20 5.410 -3.490 -4.415 1.00 1.00 O ATOM 880 CB SER B 20 4.253 -5.524 -6.244 1.00 1.00 C ATOM 881 OG SER B 20 3.597 -6.716 -5.825 1.00 1.00 O ATOM 0 H SER B 20 5.419 -6.083 -3.744 1.00 1.00 H new ATOM 0 HA SER B 20 6.370 -5.782 -6.527 1.00 1.00 H new ATOM 0 HB2 SER B 20 3.707 -4.655 -5.878 1.00 1.00 H new ATOM 0 HB3 SER B 20 4.252 -5.466 -7.332 1.00 1.00 H new ATOM 0 HG SER B 20 3.456 -6.688 -4.856 1.00 1.00 H new ATOM 887 N PRO B 21 7.133 -3.498 -5.864 1.00 1.00 N ATOM 888 CA PRO B 21 7.586 -2.145 -5.526 1.00 1.00 C ATOM 889 C PRO B 21 6.526 -1.087 -5.818 1.00 1.00 C ATOM 890 O PRO B 21 6.496 -0.038 -5.177 1.00 1.00 O ATOM 891 CB PRO B 21 8.817 -1.930 -6.416 1.00 1.00 C ATOM 892 CG PRO B 21 8.699 -2.951 -7.494 1.00 1.00 C ATOM 893 CD PRO B 21 7.996 -4.126 -6.875 1.00 1.00 C ATOM 0 HA PRO B 21 7.800 -2.050 -4.461 1.00 1.00 H new ATOM 0 HB2 PRO B 21 8.834 -0.921 -6.829 1.00 1.00 H new ATOM 0 HB3 PRO B 21 9.740 -2.059 -5.850 1.00 1.00 H new ATOM 0 HG2 PRO B 21 8.135 -2.561 -8.341 1.00 1.00 H new ATOM 0 HG3 PRO B 21 9.681 -3.237 -7.870 1.00 1.00 H new ATOM 0 HD2 PRO B 21 7.416 -4.683 -7.611 1.00 1.00 H new ATOM 0 HD3 PRO B 21 8.700 -4.827 -6.426 1.00 1.00 H new ATOM 901 N SER B 22 5.651 -1.378 -6.778 1.00 1.00 N ATOM 902 CA SER B 22 4.586 -0.458 -7.157 1.00 1.00 C ATOM 903 C SER B 22 3.627 -0.213 -5.995 1.00 1.00 C ATOM 904 O SER B 22 3.177 0.911 -5.773 1.00 1.00 O ATOM 905 CB SER B 22 3.829 -1.018 -8.359 1.00 1.00 C ATOM 906 OG SER B 22 4.704 -1.748 -9.200 1.00 1.00 O ATOM 0 H SER B 22 5.661 -2.249 -7.309 1.00 1.00 H new ATOM 0 HA SER B 22 5.035 0.498 -7.424 1.00 1.00 H new ATOM 0 HB2 SER B 22 3.020 -1.664 -8.018 1.00 1.00 H new ATOM 0 HB3 SER B 22 3.372 -0.203 -8.920 1.00 1.00 H new ATOM 0 HG SER B 22 4.203 -2.102 -9.965 1.00 1.00 H new ATOM 912 N THR B 23 3.315 -1.263 -5.248 1.00 1.00 N ATOM 913 CA THR B 23 2.416 -1.137 -4.119 1.00 1.00 C ATOM 914 C THR B 23 3.157 -0.617 -2.891 1.00 1.00 C ATOM 915 O THR B 23 2.564 0.026 -2.023 1.00 1.00 O ATOM 916 CB THR B 23 1.736 -2.477 -3.800 1.00 1.00 C ATOM 917 OG1 THR B 23 2.346 -3.531 -4.559 1.00 1.00 O ATOM 918 CG2 THR B 23 0.254 -2.400 -4.124 1.00 1.00 C ATOM 0 H THR B 23 3.671 -2.206 -5.406 1.00 1.00 H new ATOM 0 HA THR B 23 1.644 -0.417 -4.390 1.00 1.00 H new ATOM 0 HB THR B 23 1.857 -2.688 -2.737 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.955 -3.556 -5.457 1.00 1.00 H new ATOM 0 HG21 THR B 23 -0.219 -3.355 -3.894 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.208 -1.613 -3.528 1.00 1.00 H new ATOM 0 HG23 THR B 23 0.124 -2.176 -5.183 1.00 1.00 H new ATOM 926 N LEU B 24 4.463 -0.879 -2.837 1.00 1.00 N ATOM 927 CA LEU B 24 5.295 -0.423 -1.726 1.00 1.00 C ATOM 928 C LEU B 24 5.210 1.097 -1.601 1.00 1.00 C ATOM 929 O LEU B 24 5.295 1.650 -0.504 1.00 1.00 O ATOM 930 CB LEU B 24 6.750 -0.860 -1.930 1.00 1.00 C ATOM 931 CG LEU B 24 7.687 -0.585 -0.750 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.331 -1.466 0.435 1.00 1.00 C ATOM 933 CD2 LEU B 24 9.134 -0.799 -1.160 1.00 1.00 C ATOM 0 H LEU B 24 4.967 -1.405 -3.551 1.00 1.00 H new ATOM 0 HA LEU B 24 4.927 -0.875 -0.805 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.765 -1.929 -2.143 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.144 -0.354 -2.811 1.00 1.00 H new ATOM 0 HG LEU B 24 7.564 0.455 -0.449 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.009 -1.255 1.262 1.00 1.00 H new ATOM 0 HD12 LEU B 24 6.306 -1.263 0.745 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.423 -2.514 0.150 1.00 1.00 H new ATOM 0 HD21 LEU B 24 9.786 -0.599 -0.310 1.00 1.00 H new ATOM 0 HD22 LEU B 24 9.271 -1.829 -1.488 1.00 1.00 H new ATOM 0 HD23 LEU B 24 9.385 -0.122 -1.977 1.00 1.00 H new ATOM 945 N GLU B 25 5.034 1.758 -2.742 1.00 1.00 N ATOM 946 CA GLU B 25 4.901 3.207 -2.792 1.00 1.00 C ATOM 947 C GLU B 25 3.718 3.669 -1.937 1.00 1.00 C ATOM 948 O GLU B 25 3.836 4.606 -1.150 1.00 1.00 O ATOM 949 CB GLU B 25 4.713 3.653 -4.246 1.00 1.00 C ATOM 950 CG GLU B 25 4.223 5.082 -4.397 1.00 1.00 C ATOM 951 CD GLU B 25 3.412 5.287 -5.658 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.846 4.298 -6.171 1.00 1.00 O ATOM 953 OE2 GLU B 25 3.323 6.439 -6.135 1.00 1.00 O ATOM 0 H GLU B 25 4.980 1.304 -3.654 1.00 1.00 H new ATOM 0 HA GLU B 25 5.807 3.661 -2.391 1.00 1.00 H new ATOM 0 HB2 GLU B 25 5.661 3.548 -4.773 1.00 1.00 H new ATOM 0 HB3 GLU B 25 4.003 2.983 -4.731 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.616 5.348 -3.531 1.00 1.00 H new ATOM 0 HG3 GLU B 25 5.079 5.757 -4.406 1.00 1.00 H new ATOM 960 N ALA B 26 2.587 2.989 -2.091 1.00 1.00 N ATOM 961 CA ALA B 26 1.382 3.315 -1.337 1.00 1.00 C ATOM 962 C ALA B 26 1.565 2.952 0.128 1.00 1.00 C ATOM 963 O ALA B 26 1.002 3.591 1.013 1.00 1.00 O ATOM 964 CB ALA B 26 0.180 2.600 -1.930 1.00 1.00 C ATOM 0 H ALA B 26 2.480 2.205 -2.734 1.00 1.00 H new ATOM 0 HA ALA B 26 1.203 4.388 -1.402 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.712 2.852 -1.357 1.00 1.00 H new ATOM 0 HB2 ALA B 26 0.046 2.911 -2.966 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.342 1.523 -1.893 1.00 1.00 H new ATOM 970 N HIS B 27 2.359 1.921 0.377 1.00 1.00 N ATOM 971 CA HIS B 27 2.635 1.484 1.737 1.00 1.00 C ATOM 972 C HIS B 27 3.406 2.569 2.478 1.00 1.00 C ATOM 973 O HIS B 27 3.067 2.932 3.603 1.00 1.00 O ATOM 974 CB HIS B 27 3.430 0.164 1.728 1.00 1.00 C ATOM 975 CG HIS B 27 3.985 -0.242 3.067 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.968 0.328 3.811 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 3.549 -1.332 3.790 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 5.139 -0.397 4.979 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 4.267 -1.383 4.925 1.00 1.00 N flip ATOM 0 H HIS B 27 2.824 1.371 -0.346 1.00 1.00 H new ATOM 0 HA HIS B 27 1.691 1.307 2.252 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.783 -0.632 1.361 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.254 0.256 1.021 1.00 1.00 H new ATOM 0 HD1 HIS B 27 5.498 1.160 3.550 1.00 1.00 H new ATOM 0 HD2 HIS B 27 2.771 -2.021 3.497 1.00 1.00 H new ATOM 0 HE1 HIS B 27 5.844 -0.195 5.772 1.00 1.00 H new ATOM 987 N GLN B 28 4.424 3.104 1.817 1.00 1.00 N ATOM 988 CA GLN B 28 5.271 4.135 2.405 1.00 1.00 C ATOM 989 C GLN B 28 4.582 5.493 2.427 1.00 1.00 C ATOM 990 O GLN B 28 5.160 6.483 2.864 1.00 1.00 O ATOM 991 CB GLN B 28 6.599 4.222 1.649 1.00 1.00 C ATOM 992 CG GLN B 28 7.412 2.941 1.722 1.00 1.00 C ATOM 993 CD GLN B 28 8.904 3.192 1.692 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.384 4.101 1.013 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.646 2.403 2.450 1.00 1.00 N ATOM 0 H GLN B 28 4.685 2.839 0.867 1.00 1.00 H new ATOM 0 HA GLN B 28 5.465 3.852 3.440 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.400 4.460 0.604 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.189 5.043 2.056 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.156 2.405 2.636 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.140 2.295 0.887 1.00 1.00 H new ATOM 0 HE21 GLN B 28 9.208 1.662 2.997 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.657 2.535 2.488 1.00 1.00 H new ATOM 1004 N ALA B 29 3.345 5.534 1.957 1.00 1.00 N ATOM 1005 CA ALA B 29 2.575 6.766 1.936 1.00 1.00 C ATOM 1006 C ALA B 29 1.438 6.691 2.948 1.00 1.00 C ATOM 1007 O ALA B 29 0.630 7.616 3.069 1.00 1.00 O ATOM 1008 CB ALA B 29 2.029 7.022 0.538 1.00 1.00 C ATOM 0 H ALA B 29 2.852 4.723 1.583 1.00 1.00 H new ATOM 0 HA ALA B 29 3.228 7.595 2.209 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.454 7.948 0.536 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.857 7.107 -0.166 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.385 6.194 0.242 1.00 1.00 H new ATOM 1014 N TYR B 30 1.383 5.584 3.678 1.00 1.00 N ATOM 1015 CA TYR B 30 0.334 5.378 4.665 1.00 1.00 C ATOM 1016 C TYR B 30 0.871 4.700 5.918 1.00 1.00 C ATOM 1017 O TYR B 30 0.830 5.268 7.010 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.781 4.517 4.080 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.702 5.241 3.125 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.719 6.063 3.595 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.574 5.077 1.751 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.579 6.699 2.722 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.426 5.715 0.871 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.429 6.523 1.363 1.00 1.00 C ATOM 1025 OH TYR B 30 -4.290 7.149 0.497 1.00 1.00 O ATOM 0 H TYR B 30 2.052 4.817 3.605 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.054 6.360 4.935 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.333 3.670 3.560 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.375 4.110 4.898 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.838 6.206 4.659 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.794 4.439 1.364 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -4.367 7.332 3.103 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -2.308 5.582 -0.194 1.00 1.00 H new ATOM 0 HH TYR B 30 -4.048 6.923 -0.425 1.00 1.00 H new ATOM 1035 N TYR B 31 1.365 3.476 5.747 1.00 1.00 N ATOM 1036 CA TYR B 31 1.896 2.688 6.855 1.00 1.00 C ATOM 1037 C TYR B 31 3.021 3.426 7.567 1.00 1.00 C ATOM 1038 O TYR B 31 2.935 3.685 8.769 1.00 1.00 O ATOM 1039 CB TYR B 31 2.392 1.334 6.353 1.00 1.00 C ATOM 1040 CG TYR B 31 1.836 0.159 7.127 1.00 1.00 C ATOM 1041 CD1 TYR B 31 1.901 0.120 8.516 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.246 -0.915 6.469 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.392 -0.951 9.225 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.737 -1.990 7.173 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.812 -2.003 8.550 1.00 1.00 C ATOM 1046 OH TYR B 31 0.311 -3.073 9.256 1.00 1.00 O ATOM 0 H TYR B 31 1.408 3.006 4.843 1.00 1.00 H new ATOM 0 HA TYR B 31 1.089 2.529 7.570 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.124 1.225 5.302 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.480 1.312 6.408 1.00 1.00 H new ATOM 0 HD1 TYR B 31 2.357 0.941 9.049 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.185 -0.909 5.391 1.00 1.00 H new ATOM 0 HE1 TYR B 31 1.448 -0.964 10.303 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.282 -2.816 6.647 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.278 -3.600 8.677 1.00 1.00 H new ATOM 1056 N CYS B 32 4.073 3.769 6.831 1.00 1.00 N ATOM 1057 CA CYS B 32 5.191 4.499 7.405 1.00 1.00 C ATOM 1058 C CYS B 32 4.866 5.994 7.443 1.00 1.00 C ATOM 1059 O CYS B 32 5.689 6.826 7.057 1.00 1.00 O ATOM 1060 CB CYS B 32 6.458 4.253 6.586 1.00 1.00 C ATOM 1061 SG CYS B 32 6.268 2.993 5.286 1.00 1.00 S ATOM 0 H CYS B 32 4.172 3.553 5.839 1.00 1.00 H new ATOM 0 HA CYS B 32 5.362 4.147 8.422 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.768 5.191 6.126 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.259 3.948 7.259 1.00 1.00 H new ATOM 0 HG CYS B 32 5.391 2.110 5.662 1.00 1.00 H new ATOM 1066 N SER B 33 3.655 6.299 7.910 1.00 1.00 N ATOM 1067 CA SER B 33 3.140 7.664 8.016 1.00 1.00 C ATOM 1068 C SER B 33 2.673 8.185 6.656 1.00 1.00 C ATOM 1069 O SER B 33 3.102 7.706 5.605 1.00 1.00 O ATOM 1070 CB SER B 33 4.176 8.614 8.632 1.00 1.00 C ATOM 1071 OG SER B 33 4.469 8.249 9.972 1.00 1.00 O ATOM 0 H SER B 33 2.993 5.592 8.231 1.00 1.00 H new ATOM 0 HA SER B 33 2.279 7.632 8.684 1.00 1.00 H new ATOM 0 HB2 SER B 33 5.090 8.595 8.038 1.00 1.00 H new ATOM 0 HB3 SER B 33 3.799 9.636 8.604 1.00 1.00 H new ATOM 0 HG SER B 33 5.133 8.868 10.342 1.00 1.00 H new ATOM 1077 N HIS B 34 1.779 9.168 6.693 1.00 1.00 N ATOM 1078 CA HIS B 34 1.229 9.779 5.482 1.00 1.00 C ATOM 1079 C HIS B 34 2.231 10.770 4.895 1.00 1.00 C ATOM 1080 O HIS B 34 1.913 11.939 4.669 1.00 1.00 O ATOM 1081 CB HIS B 34 -0.082 10.501 5.821 1.00 1.00 C ATOM 1082 CG HIS B 34 -1.161 10.369 4.785 1.00 1.00 C ATOM 1083 ND1 HIS B 34 -2.497 10.290 5.111 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -1.107 10.318 3.430 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -3.216 10.194 4.010 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -2.400 10.211 2.974 1.00 1.00 N ATOM 0 H HIS B 34 1.415 9.564 7.559 1.00 1.00 H new ATOM 0 HA HIS B 34 1.032 9.000 4.746 1.00 1.00 H new ATOM 0 HB2 HIS B 34 -0.458 10.115 6.768 1.00 1.00 H new ATOM 0 HB3 HIS B 34 0.131 11.560 5.970 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.215 10.355 2.823 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -4.292 10.115 3.964 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -2.682 10.154 1.995 1.00 1.00 H new