USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 890 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 21 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.31) USER MOD Set 1.2: B 60 LYS NZ :NH3+ -163:sc=-0.00183 (180deg=-0.0583) USER MOD Set 2.1: B 8 THR OG1 : rot 173:sc= 1.08 USER MOD Set 2.2: B 33 GLN : amide:sc= 0.499 K(o=1.6,f=-4.9!) USER MOD Set 3.1: A 21 GLN : amide:sc= -0.0952 X(o=-0.095,f=-0.32) USER MOD Set 3.2: A 60 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0586) USER MOD Set 4.1: A 8 THR OG1 : rot 172:sc= 1.09 USER MOD Set 4.2: A 33 GLN : amide:sc= 0.584 K(o=1.7,f=-5!) USER MOD Single : A 6 THR OG1 : rot -69:sc= 0.752 USER MOD Single : A 13 SER OG : rot -12:sc= 0.665! USER MOD Single : A 14 TYR OH : rot -106:sc= 0.00878 USER MOD Single : A 15 THR OG1 : rot 47:sc= -0.108 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.6! K(o=-2.6!,f=-0.74) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -129:sc= 1.35 USER MOD Single : A 31 SER OG : rot 180:sc= -0.516 USER MOD Single : A 32 SER OG : rot 180:sc= -0.261 USER MOD Single : A 35 SER OG : rot 66:sc= 1.03 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -42:sc= -4.41! USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.629) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.71! C(o=-5.7!,f=-13!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 173:sc= 0.318 USER MOD Single : A 63 SER OG : rot -36:sc= 0.833 USER MOD Single : B 6 THR OG1 : rot -72:sc= 0.765 USER MOD Single : B 13 SER OG : rot -12:sc= 0.496! USER MOD Single : B 14 TYR OH : rot -106:sc= 0.00871 USER MOD Single : B 15 THR OG1 : rot 50:sc= -0.117 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.86) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -119:sc= 1.29 USER MOD Single : B 31 SER OG : rot 180:sc= -0.407 USER MOD Single : B 32 SER OG : rot 180:sc= -0.188 USER MOD Single : B 35 SER OG : rot 63:sc= 1.06 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -42:sc= -4.4! USER MOD Single : B 44 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.628) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -5.71! C(o=-5.7!,f=-13!) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 61 TYR OH : rot 172:sc= 0.335 USER MOD Single : B 63 SER OG : rot -42:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 53 N ASP A 5 56.936 13.265 -11.710 1.00 0.00 N ATOM 54 CA ASP A 5 56.533 12.026 -12.432 1.00 0.00 C ATOM 55 C ASP A 5 56.970 10.802 -11.622 1.00 0.00 C ATOM 56 O ASP A 5 57.364 10.911 -10.477 1.00 0.00 O ATOM 57 CB ASP A 5 57.209 11.997 -13.806 1.00 0.00 C ATOM 58 CG ASP A 5 56.143 12.007 -14.905 1.00 0.00 C ATOM 59 OD1 ASP A 5 54.983 11.814 -14.582 1.00 0.00 O ATOM 60 OD2 ASP A 5 56.508 12.209 -16.052 1.00 0.00 O ATOM 0 HA ASP A 5 55.450 12.011 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 5 57.867 12.859 -13.917 1.00 0.00 H new ATOM 0 HB3 ASP A 5 57.831 11.107 -13.897 1.00 0.00 H new ATOM 65 N THR A 6 56.905 9.637 -12.207 1.00 0.00 N ATOM 66 CA THR A 6 57.316 8.408 -11.472 1.00 0.00 C ATOM 67 C THR A 6 56.344 8.154 -10.315 1.00 0.00 C ATOM 68 O THR A 6 55.600 9.034 -9.930 1.00 0.00 O ATOM 69 CB THR A 6 58.733 8.594 -10.915 1.00 0.00 C ATOM 70 OG1 THR A 6 58.658 9.159 -9.614 1.00 0.00 O ATOM 71 CG2 THR A 6 59.530 9.524 -11.830 1.00 0.00 C ATOM 0 H THR A 6 56.585 9.484 -13.163 1.00 0.00 H new ATOM 0 HA THR A 6 57.301 7.557 -12.153 1.00 0.00 H new ATOM 0 HB THR A 6 59.231 7.626 -10.865 1.00 0.00 H new ATOM 0 HG1 THR A 6 58.347 10.086 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 6 60.536 9.653 -11.430 1.00 0.00 H new ATOM 0 HG22 THR A 6 59.589 9.090 -12.828 1.00 0.00 H new ATOM 0 HG23 THR A 6 59.034 10.493 -11.885 1.00 0.00 H new ATOM 79 N PRO A 7 56.382 6.953 -9.796 1.00 0.00 N ATOM 80 CA PRO A 7 55.514 6.544 -8.678 1.00 0.00 C ATOM 81 C PRO A 7 56.035 7.129 -7.360 1.00 0.00 C ATOM 82 O PRO A 7 57.166 7.565 -7.267 1.00 0.00 O ATOM 83 CB PRO A 7 55.612 5.014 -8.686 1.00 0.00 C ATOM 84 CG PRO A 7 56.931 4.667 -9.418 1.00 0.00 C ATOM 85 CD PRO A 7 57.294 5.895 -10.275 1.00 0.00 C ATOM 0 HA PRO A 7 54.487 6.895 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 7 55.616 4.619 -7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 7 54.756 4.572 -9.196 1.00 0.00 H new ATOM 0 HG2 PRO A 7 57.724 4.445 -8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 7 56.807 3.782 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 7 58.338 6.179 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 7 57.150 5.696 -11.337 1.00 0.00 H new ATOM 93 N THR A 8 55.213 7.153 -6.346 1.00 0.00 N ATOM 94 CA THR A 8 55.655 7.721 -5.039 1.00 0.00 C ATOM 95 C THR A 8 55.060 6.891 -3.897 1.00 0.00 C ATOM 96 O THR A 8 53.875 6.939 -3.636 1.00 0.00 O ATOM 97 CB THR A 8 55.165 9.169 -4.938 1.00 0.00 C ATOM 98 OG1 THR A 8 55.728 9.930 -5.997 1.00 0.00 O ATOM 99 CG2 THR A 8 55.585 9.777 -3.598 1.00 0.00 C ATOM 0 H THR A 8 54.255 6.804 -6.366 1.00 0.00 H new ATOM 0 HA THR A 8 56.742 7.696 -4.969 1.00 0.00 H new ATOM 0 HB THR A 8 54.077 9.182 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 8 55.315 10.818 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 8 55.231 10.806 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 55.152 9.197 -2.783 1.00 0.00 H new ATOM 0 HG23 THR A 8 56.672 9.762 -3.516 1.00 0.00 H new ATOM 107 N ALA A 9 55.874 6.125 -3.218 1.00 0.00 N ATOM 108 CA ALA A 9 55.356 5.290 -2.095 1.00 0.00 C ATOM 109 C ALA A 9 54.566 6.172 -1.128 1.00 0.00 C ATOM 110 O ALA A 9 54.322 7.333 -1.390 1.00 0.00 O ATOM 111 CB ALA A 9 56.527 4.639 -1.355 1.00 0.00 C ATOM 0 H ALA A 9 56.875 6.042 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 9 54.704 4.512 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 9 56.146 4.030 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 9 57.088 4.009 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 9 57.182 5.414 -0.957 1.00 0.00 H new ATOM 117 N CYS A 10 54.157 5.635 -0.009 1.00 0.00 N ATOM 118 CA CYS A 10 53.380 6.457 0.957 1.00 0.00 C ATOM 119 C CYS A 10 53.386 5.803 2.338 1.00 0.00 C ATOM 120 O CYS A 10 52.945 4.684 2.511 1.00 0.00 O ATOM 121 CB CYS A 10 51.938 6.582 0.469 1.00 0.00 C ATOM 122 SG CYS A 10 51.786 8.047 -0.577 1.00 0.00 S ATOM 0 H CYS A 10 54.327 4.670 0.274 1.00 0.00 H new ATOM 0 HA CYS A 10 53.838 7.443 1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 10 51.653 5.691 -0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 10 51.260 6.656 1.319 1.00 0.00 H new ATOM 127 N CYS A 11 53.860 6.506 3.328 1.00 0.00 N ATOM 128 CA CYS A 11 53.873 5.945 4.705 1.00 0.00 C ATOM 129 C CYS A 11 52.676 6.517 5.465 1.00 0.00 C ATOM 130 O CYS A 11 52.713 7.630 5.952 1.00 0.00 O ATOM 131 CB CYS A 11 55.171 6.340 5.412 1.00 0.00 C ATOM 132 SG CYS A 11 56.395 5.020 5.213 1.00 0.00 S ATOM 0 H CYS A 11 54.240 7.449 3.241 1.00 0.00 H new ATOM 0 HA CYS A 11 53.812 4.857 4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 11 55.555 7.272 4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 11 54.981 6.518 6.471 1.00 0.00 H new ATOM 137 N PHE A 12 51.609 5.775 5.556 1.00 0.00 N ATOM 138 CA PHE A 12 50.407 6.285 6.266 1.00 0.00 C ATOM 139 C PHE A 12 50.357 5.688 7.674 1.00 0.00 C ATOM 140 O PHE A 12 49.360 5.776 8.361 1.00 0.00 O ATOM 141 CB PHE A 12 49.151 5.892 5.482 1.00 0.00 C ATOM 142 CG PHE A 12 49.088 6.689 4.196 1.00 0.00 C ATOM 143 CD1 PHE A 12 49.275 8.078 4.225 1.00 0.00 C ATOM 144 CD2 PHE A 12 48.841 6.043 2.974 1.00 0.00 C ATOM 145 CE1 PHE A 12 49.217 8.818 3.037 1.00 0.00 C ATOM 146 CE2 PHE A 12 48.783 6.786 1.788 1.00 0.00 C ATOM 147 CZ PHE A 12 48.971 8.172 1.820 1.00 0.00 C ATOM 0 H PHE A 12 51.518 4.836 5.168 1.00 0.00 H new ATOM 0 HA PHE A 12 50.455 7.371 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 12 49.167 4.825 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 12 48.261 6.080 6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 12 49.464 8.578 5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 12 48.696 4.973 2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 12 49.362 9.888 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 12 48.593 6.289 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 12 48.926 8.744 0.905 1.00 0.00 H new ATOM 157 N SER A 13 51.432 5.087 8.108 1.00 0.00 N ATOM 158 CA SER A 13 51.455 4.491 9.472 1.00 0.00 C ATOM 159 C SER A 13 52.847 3.922 9.761 1.00 0.00 C ATOM 160 O SER A 13 53.327 3.052 9.061 1.00 0.00 O ATOM 161 CB SER A 13 50.417 3.370 9.561 1.00 0.00 C ATOM 162 OG SER A 13 50.989 2.163 9.075 1.00 0.00 O ATOM 0 H SER A 13 52.296 4.984 7.575 1.00 0.00 H new ATOM 0 HA SER A 13 51.219 5.262 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 13 50.090 3.242 10.593 1.00 0.00 H new ATOM 0 HB3 SER A 13 49.534 3.629 8.977 1.00 0.00 H new ATOM 0 HG SER A 13 51.837 2.361 8.626 1.00 0.00 H new ATOM 168 N TYR A 14 53.502 4.404 10.785 1.00 0.00 N ATOM 169 CA TYR A 14 54.861 3.879 11.107 1.00 0.00 C ATOM 170 C TYR A 14 54.804 3.051 12.390 1.00 0.00 C ATOM 171 O TYR A 14 53.743 2.696 12.864 1.00 0.00 O ATOM 172 CB TYR A 14 55.846 5.032 11.296 1.00 0.00 C ATOM 173 CG TYR A 14 55.420 6.217 10.460 1.00 0.00 C ATOM 174 CD1 TYR A 14 54.374 7.039 10.896 1.00 0.00 C ATOM 175 CD2 TYR A 14 56.073 6.496 9.253 1.00 0.00 C ATOM 176 CE1 TYR A 14 53.979 8.139 10.125 1.00 0.00 C ATOM 177 CE2 TYR A 14 55.678 7.597 8.482 1.00 0.00 C ATOM 178 CZ TYR A 14 54.632 8.418 8.917 1.00 0.00 C ATOM 179 OH TYR A 14 54.243 9.503 8.157 1.00 0.00 O ATOM 0 H TYR A 14 53.157 5.134 11.408 1.00 0.00 H new ATOM 0 HA TYR A 14 55.197 3.254 10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 14 55.890 5.315 12.348 1.00 0.00 H new ATOM 0 HB3 TYR A 14 56.849 4.715 11.009 1.00 0.00 H new ATOM 0 HD1 TYR A 14 53.871 6.825 11.828 1.00 0.00 H new ATOM 0 HD2 TYR A 14 56.881 5.863 8.917 1.00 0.00 H new ATOM 0 HE1 TYR A 14 53.171 8.772 10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 14 56.181 7.812 7.551 1.00 0.00 H new ATOM 0 HH TYR A 14 53.747 9.191 7.372 1.00 0.00 H new ATOM 189 N THR A 15 55.940 2.734 12.955 1.00 0.00 N ATOM 190 CA THR A 15 55.944 1.921 14.203 1.00 0.00 C ATOM 191 C THR A 15 56.200 2.815 15.418 1.00 0.00 C ATOM 192 O THR A 15 57.213 3.478 15.506 1.00 0.00 O ATOM 193 CB THR A 15 57.045 0.861 14.114 1.00 0.00 C ATOM 194 OG1 THR A 15 58.236 1.459 13.619 1.00 0.00 O ATOM 195 CG2 THR A 15 56.603 -0.261 13.175 1.00 0.00 C ATOM 0 H THR A 15 56.860 3.002 12.607 1.00 0.00 H new ATOM 0 HA THR A 15 54.972 1.440 14.315 1.00 0.00 H new ATOM 0 HB THR A 15 57.232 0.446 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 15 58.402 2.300 14.094 1.00 0.00 H new ATOM 0 HG21 THR A 15 57.388 -1.014 13.113 1.00 0.00 H new ATOM 0 HG22 THR A 15 55.691 -0.718 13.559 1.00 0.00 H new ATOM 0 HG23 THR A 15 56.414 0.148 12.183 1.00 0.00 H new ATOM 203 N SER A 16 55.306 2.820 16.371 1.00 0.00 N ATOM 204 CA SER A 16 55.531 3.652 17.586 1.00 0.00 C ATOM 205 C SER A 16 56.714 3.056 18.348 1.00 0.00 C ATOM 206 O SER A 16 57.492 3.754 18.968 1.00 0.00 O ATOM 207 CB SER A 16 54.283 3.634 18.467 1.00 0.00 C ATOM 208 OG SER A 16 53.545 4.831 18.258 1.00 0.00 O ATOM 0 H SER A 16 54.436 2.288 16.360 1.00 0.00 H new ATOM 0 HA SER A 16 55.739 4.685 17.307 1.00 0.00 H new ATOM 0 HB2 SER A 16 53.667 2.767 18.228 1.00 0.00 H new ATOM 0 HB3 SER A 16 54.565 3.545 19.516 1.00 0.00 H new ATOM 0 HG SER A 16 52.742 4.823 18.820 1.00 0.00 H new ATOM 214 N ARG A 17 56.861 1.761 18.280 1.00 0.00 N ATOM 215 CA ARG A 17 57.998 1.088 18.964 1.00 0.00 C ATOM 216 C ARG A 17 58.885 0.455 17.892 1.00 0.00 C ATOM 217 O ARG A 17 58.466 0.274 16.768 1.00 0.00 O ATOM 218 CB ARG A 17 57.466 0.005 19.907 1.00 0.00 C ATOM 219 CG ARG A 17 56.623 -0.996 19.117 1.00 0.00 C ATOM 220 CD ARG A 17 55.902 -1.933 20.089 1.00 0.00 C ATOM 221 NE ARG A 17 54.970 -2.816 19.332 1.00 0.00 N ATOM 222 CZ ARG A 17 54.444 -3.860 19.913 1.00 0.00 C ATOM 223 NH1 ARG A 17 53.895 -3.742 21.091 1.00 0.00 N ATOM 224 NH2 ARG A 17 54.469 -5.022 19.318 1.00 0.00 N ATOM 0 H ARG A 17 56.234 1.135 17.774 1.00 0.00 H new ATOM 0 HA ARG A 17 58.569 1.807 19.550 1.00 0.00 H new ATOM 0 HB2 ARG A 17 58.296 -0.508 20.393 1.00 0.00 H new ATOM 0 HB3 ARG A 17 56.866 0.459 20.696 1.00 0.00 H new ATOM 0 HG2 ARG A 17 55.898 -0.468 18.498 1.00 0.00 H new ATOM 0 HG3 ARG A 17 57.258 -1.571 18.444 1.00 0.00 H new ATOM 0 HD2 ARG A 17 56.628 -2.536 20.635 1.00 0.00 H new ATOM 0 HD3 ARG A 17 55.350 -1.352 20.828 1.00 0.00 H new ATOM 0 HE ARG A 17 54.743 -2.605 18.360 1.00 0.00 H new ATOM 0 HH11 ARG A 17 53.877 -2.835 21.557 1.00 0.00 H new ATOM 0 HH12 ARG A 17 53.484 -4.557 21.546 1.00 0.00 H new ATOM 0 HH21 ARG A 17 54.900 -5.115 18.398 1.00 0.00 H new ATOM 0 HH22 ARG A 17 54.058 -5.837 19.773 1.00 0.00 H new ATOM 238 N GLN A 18 60.106 0.133 18.208 1.00 0.00 N ATOM 239 CA GLN A 18 60.987 -0.462 17.172 1.00 0.00 C ATOM 240 C GLN A 18 60.640 -1.916 16.912 1.00 0.00 C ATOM 241 O GLN A 18 59.627 -2.438 17.335 1.00 0.00 O ATOM 242 CB GLN A 18 62.433 -0.386 17.599 1.00 0.00 C ATOM 243 CG GLN A 18 62.661 0.840 18.477 1.00 0.00 C ATOM 244 CD GLN A 18 62.694 0.411 19.945 1.00 0.00 C ATOM 245 OE1 GLN A 18 63.308 1.062 20.768 1.00 0.00 O ATOM 246 NE2 GLN A 18 62.056 -0.668 20.311 1.00 0.00 N ATOM 0 H GLN A 18 60.528 0.255 19.129 1.00 0.00 H new ATOM 0 HA GLN A 18 60.834 0.111 16.257 1.00 0.00 H new ATOM 0 HB2 GLN A 18 62.706 -1.289 18.145 1.00 0.00 H new ATOM 0 HB3 GLN A 18 63.077 -0.338 16.721 1.00 0.00 H new ATOM 0 HG2 GLN A 18 63.599 1.326 18.207 1.00 0.00 H new ATOM 0 HG3 GLN A 18 61.867 1.569 18.317 1.00 0.00 H new ATOM 0 HE21 GLN A 18 61.541 -1.215 19.621 1.00 0.00 H new ATOM 0 HE22 GLN A 18 62.073 -0.964 21.287 1.00 0.00 H new ATOM 255 N ILE A 19 61.518 -2.556 16.212 1.00 0.00 N ATOM 256 CA ILE A 19 61.380 -3.966 15.851 1.00 0.00 C ATOM 257 C ILE A 19 62.800 -4.418 15.549 1.00 0.00 C ATOM 258 O ILE A 19 63.483 -3.807 14.753 1.00 0.00 O ATOM 259 CB ILE A 19 60.510 -4.128 14.598 1.00 0.00 C ATOM 260 CG1 ILE A 19 60.267 -2.760 13.933 1.00 0.00 C ATOM 261 CG2 ILE A 19 59.177 -4.776 14.976 1.00 0.00 C ATOM 262 CD1 ILE A 19 59.077 -2.039 14.581 1.00 0.00 C ATOM 0 H ILE A 19 62.372 -2.125 15.859 1.00 0.00 H new ATOM 0 HA ILE A 19 60.905 -4.545 16.643 1.00 0.00 H new ATOM 0 HB ILE A 19 61.030 -4.770 13.887 1.00 0.00 H new ATOM 0 HG12 ILE A 19 61.162 -2.144 14.021 1.00 0.00 H new ATOM 0 HG13 ILE A 19 60.078 -2.897 12.868 1.00 0.00 H new ATOM 0 HG21 ILE A 19 58.562 -4.889 14.084 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.361 -5.756 15.417 1.00 0.00 H new ATOM 0 HG23 ILE A 19 58.657 -4.145 15.697 1.00 0.00 H new ATOM 0 HD11 ILE A 19 58.926 -1.076 14.094 1.00 0.00 H new ATOM 0 HD12 ILE A 19 58.179 -2.647 14.470 1.00 0.00 H new ATOM 0 HD13 ILE A 19 59.280 -1.882 15.640 1.00 0.00 H new ATOM 274 N PRO A 20 63.220 -5.437 16.213 1.00 0.00 N ATOM 275 CA PRO A 20 64.581 -5.954 16.062 1.00 0.00 C ATOM 276 C PRO A 20 64.787 -6.551 14.672 1.00 0.00 C ATOM 277 O PRO A 20 63.847 -6.821 13.951 1.00 0.00 O ATOM 278 CB PRO A 20 64.702 -6.972 17.197 1.00 0.00 C ATOM 279 CG PRO A 20 63.256 -7.334 17.604 1.00 0.00 C ATOM 280 CD PRO A 20 62.372 -6.186 17.148 1.00 0.00 C ATOM 0 HA PRO A 20 65.357 -5.192 16.133 1.00 0.00 H new ATOM 0 HB2 PRO A 20 65.248 -7.857 16.870 1.00 0.00 H new ATOM 0 HB3 PRO A 20 65.251 -6.552 18.040 1.00 0.00 H new ATOM 0 HG2 PRO A 20 62.946 -8.269 17.138 1.00 0.00 H new ATOM 0 HG3 PRO A 20 63.182 -7.475 18.682 1.00 0.00 H new ATOM 0 HD2 PRO A 20 61.466 -6.548 16.663 1.00 0.00 H new ATOM 0 HD3 PRO A 20 62.058 -5.566 17.987 1.00 0.00 H new ATOM 288 N GLN A 21 66.016 -6.710 14.278 1.00 0.00 N ATOM 289 CA GLN A 21 66.314 -7.239 12.922 1.00 0.00 C ATOM 290 C GLN A 21 65.660 -8.611 12.732 1.00 0.00 C ATOM 291 O GLN A 21 65.337 -9.002 11.629 1.00 0.00 O ATOM 292 CB GLN A 21 67.831 -7.367 12.768 1.00 0.00 C ATOM 293 CG GLN A 21 68.512 -6.053 13.172 1.00 0.00 C ATOM 294 CD GLN A 21 69.821 -6.358 13.902 1.00 0.00 C ATOM 295 OE1 GLN A 21 70.884 -5.978 13.452 1.00 0.00 O ATOM 296 NE2 GLN A 21 69.789 -7.033 15.018 1.00 0.00 N ATOM 0 H GLN A 21 66.836 -6.493 14.844 1.00 0.00 H new ATOM 0 HA GLN A 21 65.916 -6.558 12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 21 68.200 -8.183 13.389 1.00 0.00 H new ATOM 0 HB3 GLN A 21 68.081 -7.613 11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 21 68.709 -5.447 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 21 67.852 -5.472 13.816 1.00 0.00 H new ATOM 0 HE21 GLN A 21 68.897 -7.352 15.396 1.00 0.00 H new ATOM 0 HE22 GLN A 21 70.656 -7.242 15.513 1.00 0.00 H new ATOM 305 N ASN A 22 65.464 -9.346 13.791 1.00 0.00 N ATOM 306 CA ASN A 22 64.835 -10.691 13.652 1.00 0.00 C ATOM 307 C ASN A 22 63.317 -10.538 13.519 1.00 0.00 C ATOM 308 O ASN A 22 62.641 -11.400 12.993 1.00 0.00 O ATOM 309 CB ASN A 22 65.162 -11.535 14.886 1.00 0.00 C ATOM 310 CG ASN A 22 66.664 -11.823 14.924 1.00 0.00 C ATOM 311 OD1 ASN A 22 67.199 -12.445 14.027 1.00 0.00 O ATOM 312 ND2 ASN A 22 67.374 -11.392 15.931 1.00 0.00 N ATOM 0 H ASN A 22 65.711 -9.076 14.743 1.00 0.00 H new ATOM 0 HA ASN A 22 65.225 -11.184 12.762 1.00 0.00 H new ATOM 0 HB2 ASN A 22 64.859 -11.008 15.791 1.00 0.00 H new ATOM 0 HB3 ASN A 22 64.602 -12.470 14.859 1.00 0.00 H new ATOM 0 HD21 ASN A 22 68.376 -11.577 15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 22 66.926 -10.870 16.684 1.00 0.00 H new ATOM 319 N PHE A 23 62.778 -9.451 13.995 1.00 0.00 N ATOM 320 CA PHE A 23 61.306 -9.242 13.901 1.00 0.00 C ATOM 321 C PHE A 23 60.978 -8.395 12.671 1.00 0.00 C ATOM 322 O PHE A 23 59.912 -7.822 12.569 1.00 0.00 O ATOM 323 CB PHE A 23 60.824 -8.506 15.152 1.00 0.00 C ATOM 324 CG PHE A 23 59.542 -9.128 15.645 1.00 0.00 C ATOM 325 CD1 PHE A 23 58.322 -8.785 15.050 1.00 0.00 C ATOM 326 CD2 PHE A 23 59.576 -10.044 16.699 1.00 0.00 C ATOM 327 CE1 PHE A 23 57.133 -9.362 15.512 1.00 0.00 C ATOM 328 CE2 PHE A 23 58.388 -10.621 17.162 1.00 0.00 C ATOM 329 CZ PHE A 23 57.167 -10.281 16.569 1.00 0.00 C ATOM 0 H PHE A 23 63.295 -8.696 14.446 1.00 0.00 H new ATOM 0 HA PHE A 23 60.810 -10.209 13.818 1.00 0.00 H new ATOM 0 HB2 PHE A 23 61.586 -8.554 15.930 1.00 0.00 H new ATOM 0 HB3 PHE A 23 60.665 -7.451 14.927 1.00 0.00 H new ATOM 0 HD1 PHE A 23 58.298 -8.076 14.236 1.00 0.00 H new ATOM 0 HD2 PHE A 23 60.518 -10.307 17.156 1.00 0.00 H new ATOM 0 HE1 PHE A 23 56.191 -9.099 15.054 1.00 0.00 H new ATOM 0 HE2 PHE A 23 58.414 -11.329 17.977 1.00 0.00 H new ATOM 0 HZ PHE A 23 56.251 -10.727 16.926 1.00 0.00 H new ATOM 339 N ILE A 24 61.887 -8.294 11.741 1.00 0.00 N ATOM 340 CA ILE A 24 61.618 -7.463 10.537 1.00 0.00 C ATOM 341 C ILE A 24 61.996 -8.236 9.269 1.00 0.00 C ATOM 342 O ILE A 24 62.564 -9.309 9.326 1.00 0.00 O ATOM 343 CB ILE A 24 62.440 -6.169 10.659 1.00 0.00 C ATOM 344 CG1 ILE A 24 61.494 -4.971 10.680 1.00 0.00 C ATOM 345 CG2 ILE A 24 63.429 -6.008 9.495 1.00 0.00 C ATOM 346 CD1 ILE A 24 62.255 -3.760 11.203 1.00 0.00 C ATOM 0 H ILE A 24 62.800 -8.749 11.763 1.00 0.00 H new ATOM 0 HA ILE A 24 60.558 -7.219 10.469 1.00 0.00 H new ATOM 0 HB ILE A 24 63.013 -6.223 11.584 1.00 0.00 H new ATOM 0 HG12 ILE A 24 61.111 -4.774 9.679 1.00 0.00 H new ATOM 0 HG13 ILE A 24 60.633 -5.180 11.315 1.00 0.00 H new ATOM 0 HG21 ILE A 24 63.990 -5.082 9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 24 64.119 -6.851 9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 24 62.881 -5.977 8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 24 61.592 -2.895 11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 24 62.616 -3.965 12.211 1.00 0.00 H new ATOM 0 HD13 ILE A 24 63.102 -3.552 10.549 1.00 0.00 H new ATOM 358 N ALA A 25 61.691 -7.683 8.127 1.00 0.00 N ATOM 359 CA ALA A 25 62.039 -8.371 6.852 1.00 0.00 C ATOM 360 C ALA A 25 62.219 -7.343 5.726 1.00 0.00 C ATOM 361 O ALA A 25 63.196 -7.372 5.006 1.00 0.00 O ATOM 362 CB ALA A 25 60.922 -9.348 6.476 1.00 0.00 C ATOM 0 H ALA A 25 61.217 -6.786 8.022 1.00 0.00 H new ATOM 0 HA ALA A 25 62.973 -8.916 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 25 61.177 -9.851 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 25 60.805 -10.089 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 25 59.988 -8.801 6.349 1.00 0.00 H new ATOM 368 N ALA A 26 61.282 -6.447 5.552 1.00 0.00 N ATOM 369 CA ALA A 26 61.415 -5.442 4.450 1.00 0.00 C ATOM 370 C ALA A 26 61.846 -4.076 4.994 1.00 0.00 C ATOM 371 O ALA A 26 62.439 -3.967 6.049 1.00 0.00 O ATOM 372 CB ALA A 26 60.077 -5.294 3.728 1.00 0.00 C ATOM 0 H ALA A 26 60.437 -6.366 6.118 1.00 0.00 H new ATOM 0 HA ALA A 26 62.179 -5.797 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.175 -4.562 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 26 59.782 -6.255 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 26 59.318 -4.959 4.434 1.00 0.00 H new ATOM 378 N TYR A 27 61.539 -3.031 4.264 1.00 0.00 N ATOM 379 CA TYR A 27 61.908 -1.654 4.704 1.00 0.00 C ATOM 380 C TYR A 27 61.344 -0.634 3.702 1.00 0.00 C ATOM 381 O TYR A 27 60.784 0.379 4.075 1.00 0.00 O ATOM 382 CB TYR A 27 63.425 -1.519 4.748 1.00 0.00 C ATOM 383 CG TYR A 27 64.008 -2.029 3.454 1.00 0.00 C ATOM 384 CD1 TYR A 27 64.354 -3.377 3.333 1.00 0.00 C ATOM 385 CD2 TYR A 27 64.202 -1.154 2.378 1.00 0.00 C ATOM 386 CE1 TYR A 27 64.897 -3.855 2.134 1.00 0.00 C ATOM 387 CE2 TYR A 27 64.744 -1.632 1.179 1.00 0.00 C ATOM 388 CZ TYR A 27 65.093 -2.982 1.057 1.00 0.00 C ATOM 389 OH TYR A 27 65.630 -3.454 -0.124 1.00 0.00 O ATOM 0 H TYR A 27 61.044 -3.077 3.374 1.00 0.00 H new ATOM 0 HA TYR A 27 61.496 -1.469 5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 27 63.705 -0.477 4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 27 63.828 -2.083 5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 27 64.203 -4.050 4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 27 63.934 -0.112 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 27 65.165 -4.897 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 27 64.893 -0.959 0.348 1.00 0.00 H new ATOM 0 HH TYR A 27 65.698 -2.719 -0.769 1.00 0.00 H new ATOM 399 N PHE A 28 61.480 -0.892 2.433 1.00 0.00 N ATOM 400 CA PHE A 28 60.945 0.061 1.418 1.00 0.00 C ATOM 401 C PHE A 28 61.425 1.480 1.744 1.00 0.00 C ATOM 402 O PHE A 28 62.559 1.682 2.125 1.00 0.00 O ATOM 403 CB PHE A 28 59.415 0.018 1.440 1.00 0.00 C ATOM 404 CG PHE A 28 58.944 -1.404 1.265 1.00 0.00 C ATOM 405 CD1 PHE A 28 58.741 -1.925 -0.019 1.00 0.00 C ATOM 406 CD2 PHE A 28 58.706 -2.201 2.389 1.00 0.00 C ATOM 407 CE1 PHE A 28 58.300 -3.245 -0.177 1.00 0.00 C ATOM 408 CE2 PHE A 28 58.266 -3.518 2.232 1.00 0.00 C ATOM 409 CZ PHE A 28 58.062 -4.042 0.949 1.00 0.00 C ATOM 0 H PHE A 28 61.938 -1.720 2.053 1.00 0.00 H new ATOM 0 HA PHE A 28 61.303 -0.221 0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 28 59.044 0.421 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 28 59.012 0.645 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 28 58.924 -1.309 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 28 58.862 -1.799 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 28 58.144 -3.648 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 28 58.083 -4.133 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 28 57.721 -5.060 0.829 1.00 0.00 H new ATOM 419 N GLU A 29 60.574 2.465 1.586 1.00 0.00 N ATOM 420 CA GLU A 29 60.979 3.865 1.877 1.00 0.00 C ATOM 421 C GLU A 29 59.933 4.834 1.312 1.00 0.00 C ATOM 422 O GLU A 29 59.224 4.524 0.376 1.00 0.00 O ATOM 423 CB GLU A 29 62.336 4.127 1.239 1.00 0.00 C ATOM 424 CG GLU A 29 62.379 3.531 -0.172 1.00 0.00 C ATOM 425 CD GLU A 29 62.247 4.651 -1.205 1.00 0.00 C ATOM 426 OE1 GLU A 29 62.733 5.737 -0.935 1.00 0.00 O ATOM 427 OE2 GLU A 29 61.664 4.404 -2.247 1.00 0.00 O ATOM 0 H GLU A 29 59.612 2.353 1.266 1.00 0.00 H new ATOM 0 HA GLU A 29 61.048 4.016 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 29 62.525 5.200 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 29 63.125 3.690 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 29 63.315 2.992 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 29 61.572 2.809 -0.298 1.00 0.00 H new ATOM 434 N THR A 30 59.827 6.003 1.887 1.00 0.00 N ATOM 435 CA THR A 30 58.822 6.994 1.402 1.00 0.00 C ATOM 436 C THR A 30 59.391 8.410 1.546 1.00 0.00 C ATOM 437 O THR A 30 60.439 8.604 2.129 1.00 0.00 O ATOM 438 CB THR A 30 57.547 6.865 2.248 1.00 0.00 C ATOM 439 OG1 THR A 30 57.825 7.221 3.597 1.00 0.00 O ATOM 440 CG2 THR A 30 57.049 5.420 2.204 1.00 0.00 C ATOM 0 H THR A 30 60.395 6.315 2.674 1.00 0.00 H new ATOM 0 HA THR A 30 58.590 6.804 0.354 1.00 0.00 H new ATOM 0 HB THR A 30 56.784 7.531 1.846 1.00 0.00 H new ATOM 0 HG1 THR A 30 57.503 6.515 4.195 1.00 0.00 H new ATOM 0 HG21 THR A 30 56.144 5.329 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 30 56.830 5.142 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 30 57.818 4.758 2.603 1.00 0.00 H new ATOM 448 N SER A 31 58.708 9.405 1.038 1.00 0.00 N ATOM 449 CA SER A 31 59.231 10.794 1.182 1.00 0.00 C ATOM 450 C SER A 31 58.219 11.825 0.673 1.00 0.00 C ATOM 451 O SER A 31 57.023 11.641 0.770 1.00 0.00 O ATOM 452 CB SER A 31 60.542 10.936 0.426 1.00 0.00 C ATOM 453 OG SER A 31 60.273 11.199 -0.945 1.00 0.00 O ATOM 0 H SER A 31 57.824 9.317 0.537 1.00 0.00 H new ATOM 0 HA SER A 31 59.401 10.983 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 31 61.134 11.745 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 31 61.131 10.024 0.524 1.00 0.00 H new ATOM 0 HG SER A 31 61.118 11.292 -1.432 1.00 0.00 H new ATOM 459 N SER A 32 58.704 12.923 0.154 1.00 0.00 N ATOM 460 CA SER A 32 57.801 14.000 -0.342 1.00 0.00 C ATOM 461 C SER A 32 56.762 13.429 -1.305 1.00 0.00 C ATOM 462 O SER A 32 56.615 12.231 -1.445 1.00 0.00 O ATOM 463 CB SER A 32 58.633 15.058 -1.067 1.00 0.00 C ATOM 464 OG SER A 32 58.588 14.814 -2.467 1.00 0.00 O ATOM 0 H SER A 32 59.700 13.120 0.052 1.00 0.00 H new ATOM 0 HA SER A 32 57.284 14.445 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 58.247 16.054 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 32 59.664 15.031 -0.715 1.00 0.00 H new ATOM 0 HG SER A 32 59.119 15.492 -2.934 1.00 0.00 H new ATOM 470 N GLN A 33 56.040 14.289 -1.968 1.00 0.00 N ATOM 471 CA GLN A 33 55.005 13.818 -2.924 1.00 0.00 C ATOM 472 C GLN A 33 54.021 12.902 -2.194 1.00 0.00 C ATOM 473 O GLN A 33 53.288 12.152 -2.807 1.00 0.00 O ATOM 474 CB GLN A 33 55.674 13.053 -4.068 1.00 0.00 C ATOM 475 CG GLN A 33 56.144 14.046 -5.133 1.00 0.00 C ATOM 476 CD GLN A 33 55.796 13.509 -6.524 1.00 0.00 C ATOM 477 OE1 GLN A 33 55.110 12.515 -6.650 1.00 0.00 O ATOM 478 NE2 GLN A 33 56.246 14.131 -7.579 1.00 0.00 N ATOM 0 H GLN A 33 56.124 15.302 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 33 54.468 14.674 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 33 56.520 12.479 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 33 54.973 12.340 -4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 33 55.669 15.015 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 33 57.220 14.201 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 33 56.822 14.966 -7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 33 56.022 13.782 -8.511 1.00 0.00 H new ATOM 487 N CYS A 34 53.994 12.959 -0.889 1.00 0.00 N ATOM 488 CA CYS A 34 53.049 12.090 -0.137 1.00 0.00 C ATOM 489 C CYS A 34 53.182 12.335 1.372 1.00 0.00 C ATOM 490 O CYS A 34 52.626 13.276 1.905 1.00 0.00 O ATOM 491 CB CYS A 34 53.347 10.625 -0.450 1.00 0.00 C ATOM 492 SG CYS A 34 52.345 9.568 0.623 1.00 0.00 S ATOM 0 H CYS A 34 54.581 13.565 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 34 52.030 12.329 -0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 34 53.127 10.413 -1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 54.406 10.417 -0.298 1.00 0.00 H new ATOM 497 N SER A 35 53.890 11.486 2.073 1.00 0.00 N ATOM 498 CA SER A 35 54.022 11.668 3.547 1.00 0.00 C ATOM 499 C SER A 35 55.370 12.302 3.906 1.00 0.00 C ATOM 500 O SER A 35 55.440 13.451 4.292 1.00 0.00 O ATOM 501 CB SER A 35 53.903 10.307 4.237 1.00 0.00 C ATOM 502 OG SER A 35 52.812 9.591 3.674 1.00 0.00 O ATOM 0 H SER A 35 54.380 10.678 1.689 1.00 0.00 H new ATOM 0 HA SER A 35 53.228 12.333 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 35 54.827 9.742 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 35 53.752 10.441 5.308 1.00 0.00 H new ATOM 0 HG SER A 35 53.007 9.381 2.737 1.00 0.00 H new ATOM 508 N LYS A 36 56.437 11.552 3.819 1.00 0.00 N ATOM 509 CA LYS A 36 57.767 12.110 4.197 1.00 0.00 C ATOM 510 C LYS A 36 58.772 10.955 4.295 1.00 0.00 C ATOM 511 O LYS A 36 58.430 9.840 3.959 1.00 0.00 O ATOM 512 CB LYS A 36 57.616 12.794 5.547 1.00 0.00 C ATOM 513 CG LYS A 36 57.967 14.279 5.418 1.00 0.00 C ATOM 514 CD LYS A 36 57.826 14.965 6.778 1.00 0.00 C ATOM 515 CE LYS A 36 59.097 15.760 7.082 1.00 0.00 C ATOM 516 NZ LYS A 36 58.832 16.721 8.192 1.00 0.00 N ATOM 0 H LYS A 36 56.445 10.582 3.504 1.00 0.00 H new ATOM 0 HA LYS A 36 58.123 12.827 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 36 56.594 12.683 5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 36 58.268 12.319 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 36 58.986 14.390 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 36 57.310 14.755 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 36 56.961 15.629 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 36 57.654 14.221 7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 36 59.905 15.082 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 59.423 16.298 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 59.697 17.261 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 58.074 17.375 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 58.540 16.198 9.042 1.00 0.00 H new ATOM 530 N PRO A 37 59.988 11.223 4.731 1.00 0.00 N ATOM 531 CA PRO A 37 61.007 10.165 4.831 1.00 0.00 C ATOM 532 C PRO A 37 60.638 9.144 5.901 1.00 0.00 C ATOM 533 O PRO A 37 60.713 9.395 7.087 1.00 0.00 O ATOM 534 CB PRO A 37 62.302 10.916 5.155 1.00 0.00 C ATOM 535 CG PRO A 37 61.877 12.283 5.726 1.00 0.00 C ATOM 536 CD PRO A 37 60.465 12.560 5.174 1.00 0.00 C ATOM 0 HA PRO A 37 61.103 9.581 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 37 62.902 10.363 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 37 62.913 11.041 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 37 61.872 12.265 6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 37 62.574 13.065 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 37 59.813 12.984 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 37 60.491 13.270 4.347 1.00 0.00 H new ATOM 544 N GLY A 38 60.241 7.982 5.463 1.00 0.00 N ATOM 545 CA GLY A 38 59.856 6.894 6.399 1.00 0.00 C ATOM 546 C GLY A 38 60.041 5.560 5.680 1.00 0.00 C ATOM 547 O GLY A 38 59.798 5.446 4.495 1.00 0.00 O ATOM 0 H GLY A 38 60.166 7.738 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 38 60.471 6.930 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 38 58.820 7.014 6.717 1.00 0.00 H new ATOM 551 N VAL A 39 60.486 4.555 6.372 1.00 0.00 N ATOM 552 CA VAL A 39 60.701 3.238 5.713 1.00 0.00 C ATOM 553 C VAL A 39 59.578 2.277 6.099 1.00 0.00 C ATOM 554 O VAL A 39 59.339 2.060 7.261 1.00 0.00 O ATOM 555 CB VAL A 39 62.050 2.667 6.172 1.00 0.00 C ATOM 556 CG1 VAL A 39 61.839 1.634 7.293 1.00 0.00 C ATOM 557 CG2 VAL A 39 62.742 2.000 4.984 1.00 0.00 C ATOM 0 H VAL A 39 60.711 4.586 7.366 1.00 0.00 H new ATOM 0 HA VAL A 39 60.702 3.364 4.630 1.00 0.00 H new ATOM 0 HB VAL A 39 62.670 3.477 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 39 62.804 1.237 7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 61.348 2.112 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 39 61.215 0.820 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 39 63.701 1.592 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 39 62.114 1.195 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 39 62.905 2.737 4.197 1.00 0.00 H new ATOM 567 N ILE A 40 58.926 1.671 5.146 1.00 0.00 N ATOM 568 CA ILE A 40 57.849 0.698 5.496 1.00 0.00 C ATOM 569 C ILE A 40 58.504 -0.619 5.900 1.00 0.00 C ATOM 570 O ILE A 40 59.499 -1.016 5.349 1.00 0.00 O ATOM 571 CB ILE A 40 56.938 0.470 4.294 1.00 0.00 C ATOM 572 CG1 ILE A 40 56.392 1.812 3.813 1.00 0.00 C ATOM 573 CG2 ILE A 40 55.774 -0.433 4.703 1.00 0.00 C ATOM 574 CD1 ILE A 40 56.567 1.903 2.301 1.00 0.00 C ATOM 0 H ILE A 40 59.089 1.804 4.148 1.00 0.00 H new ATOM 0 HA ILE A 40 57.249 1.090 6.317 1.00 0.00 H new ATOM 0 HB ILE A 40 57.503 -0.004 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 40 55.339 1.907 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 40 56.918 2.631 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 40 55.122 -0.597 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 40 56.161 -1.390 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 40 55.208 0.043 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 40 56.180 2.858 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 40 57.625 1.825 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 40 56.021 1.090 1.822 1.00 0.00 H new ATOM 586 N PHE A 41 57.976 -1.304 6.863 1.00 0.00 N ATOM 587 CA PHE A 41 58.627 -2.577 7.272 1.00 0.00 C ATOM 588 C PHE A 41 57.702 -3.756 6.990 1.00 0.00 C ATOM 589 O PHE A 41 56.512 -3.602 6.807 1.00 0.00 O ATOM 590 CB PHE A 41 58.936 -2.526 8.768 1.00 0.00 C ATOM 591 CG PHE A 41 60.265 -1.846 8.983 1.00 0.00 C ATOM 592 CD1 PHE A 41 61.401 -2.303 8.305 1.00 0.00 C ATOM 593 CD2 PHE A 41 60.362 -0.759 9.858 1.00 0.00 C ATOM 594 CE1 PHE A 41 62.634 -1.674 8.502 1.00 0.00 C ATOM 595 CE2 PHE A 41 61.594 -0.129 10.055 1.00 0.00 C ATOM 596 CZ PHE A 41 62.731 -0.585 9.378 1.00 0.00 C ATOM 0 H PHE A 41 57.135 -1.048 7.381 1.00 0.00 H new ATOM 0 HA PHE A 41 59.549 -2.704 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 41 58.149 -1.986 9.295 1.00 0.00 H new ATOM 0 HB3 PHE A 41 58.961 -3.535 9.180 1.00 0.00 H new ATOM 0 HD1 PHE A 41 61.325 -3.142 7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 41 59.485 -0.407 10.381 1.00 0.00 H new ATOM 0 HE1 PHE A 41 63.511 -2.027 7.979 1.00 0.00 H new ATOM 0 HE2 PHE A 41 61.669 0.711 10.730 1.00 0.00 H new ATOM 0 HZ PHE A 41 63.683 -0.098 9.531 1.00 0.00 H new ATOM 606 N LEU A 42 58.248 -4.938 6.970 1.00 0.00 N ATOM 607 CA LEU A 42 57.424 -6.141 6.726 1.00 0.00 C ATOM 608 C LEU A 42 57.723 -7.146 7.828 1.00 0.00 C ATOM 609 O LEU A 42 58.343 -8.167 7.600 1.00 0.00 O ATOM 610 CB LEU A 42 57.798 -6.751 5.382 1.00 0.00 C ATOM 611 CG LEU A 42 56.962 -6.110 4.277 1.00 0.00 C ATOM 612 CD1 LEU A 42 57.459 -6.603 2.919 1.00 0.00 C ATOM 613 CD2 LEU A 42 55.495 -6.498 4.454 1.00 0.00 C ATOM 0 H LEU A 42 59.241 -5.119 7.114 1.00 0.00 H new ATOM 0 HA LEU A 42 56.366 -5.879 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 42 58.859 -6.598 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 42 57.630 -7.828 5.401 1.00 0.00 H new ATOM 0 HG LEU A 42 57.057 -5.025 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 42 56.865 -6.148 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 42 58.506 -6.326 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 42 57.362 -7.687 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 42 54.900 -6.040 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 42 55.396 -7.582 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 42 55.141 -6.149 5.424 1.00 0.00 H new ATOM 625 N THR A 43 57.305 -6.860 9.024 1.00 0.00 N ATOM 626 CA THR A 43 57.580 -7.793 10.145 1.00 0.00 C ATOM 627 C THR A 43 57.132 -9.199 9.745 1.00 0.00 C ATOM 628 O THR A 43 56.722 -9.438 8.628 1.00 0.00 O ATOM 629 CB THR A 43 56.815 -7.342 11.392 1.00 0.00 C ATOM 630 OG1 THR A 43 55.473 -7.792 11.306 1.00 0.00 O ATOM 631 CG2 THR A 43 56.842 -5.813 11.489 1.00 0.00 C ATOM 0 H THR A 43 56.784 -6.020 9.275 1.00 0.00 H new ATOM 0 HA THR A 43 58.647 -7.797 10.366 1.00 0.00 H new ATOM 0 HB THR A 43 57.284 -7.764 12.280 1.00 0.00 H new ATOM 0 HG1 THR A 43 55.142 -7.660 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 43 56.297 -5.495 12.378 1.00 0.00 H new ATOM 0 HG22 THR A 43 57.875 -5.471 11.555 1.00 0.00 H new ATOM 0 HG23 THR A 43 56.374 -5.384 10.603 1.00 0.00 H new ATOM 639 N LYS A 44 57.207 -10.131 10.647 1.00 0.00 N ATOM 640 CA LYS A 44 56.789 -11.519 10.311 1.00 0.00 C ATOM 641 C LYS A 44 55.383 -11.771 10.854 1.00 0.00 C ATOM 642 O LYS A 44 54.692 -12.670 10.420 1.00 0.00 O ATOM 643 CB LYS A 44 57.777 -12.507 10.933 1.00 0.00 C ATOM 644 CG LYS A 44 58.935 -12.747 9.963 1.00 0.00 C ATOM 645 CD LYS A 44 59.471 -11.407 9.445 1.00 0.00 C ATOM 646 CE LYS A 44 60.939 -11.571 9.053 1.00 0.00 C ATOM 647 NZ LYS A 44 61.098 -12.805 8.233 1.00 0.00 N ATOM 0 H LYS A 44 57.539 -9.994 11.602 1.00 0.00 H new ATOM 0 HA LYS A 44 56.782 -11.652 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 44 58.155 -12.115 11.877 1.00 0.00 H new ATOM 0 HB3 LYS A 44 57.275 -13.448 11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 44 59.731 -13.298 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 44 58.599 -13.361 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 58.888 -11.076 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 59.371 -10.640 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 61.276 -10.701 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 44 61.561 -11.632 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 61.949 -12.721 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 61.193 -13.629 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 60.263 -12.928 7.625 1.00 0.00 H new ATOM 661 N ARG A 45 54.949 -10.978 11.796 1.00 0.00 N ATOM 662 CA ARG A 45 53.583 -11.170 12.353 1.00 0.00 C ATOM 663 C ARG A 45 52.552 -10.750 11.300 1.00 0.00 C ATOM 664 O ARG A 45 51.363 -10.933 11.475 1.00 0.00 O ATOM 665 CB ARG A 45 53.417 -10.311 13.613 1.00 0.00 C ATOM 666 CG ARG A 45 51.931 -10.173 13.959 1.00 0.00 C ATOM 667 CD ARG A 45 51.319 -11.560 14.164 1.00 0.00 C ATOM 668 NE ARG A 45 51.254 -11.863 15.621 1.00 0.00 N ATOM 669 CZ ARG A 45 50.124 -11.745 16.262 1.00 0.00 C ATOM 670 NH1 ARG A 45 49.010 -12.116 15.693 1.00 0.00 N ATOM 671 NH2 ARG A 45 50.107 -11.254 17.471 1.00 0.00 N ATOM 0 H ARG A 45 55.481 -10.208 12.202 1.00 0.00 H new ATOM 0 HA ARG A 45 53.434 -12.218 12.614 1.00 0.00 H new ATOM 0 HB2 ARG A 45 53.953 -10.766 14.446 1.00 0.00 H new ATOM 0 HB3 ARG A 45 53.855 -9.326 13.452 1.00 0.00 H new ATOM 0 HG2 ARG A 45 51.812 -9.575 14.863 1.00 0.00 H new ATOM 0 HG3 ARG A 45 51.408 -9.649 13.159 1.00 0.00 H new ATOM 0 HD2 ARG A 45 50.320 -11.597 13.729 1.00 0.00 H new ATOM 0 HD3 ARG A 45 51.918 -12.313 13.651 1.00 0.00 H new ATOM 0 HE ARG A 45 52.093 -12.163 16.117 1.00 0.00 H new ATOM 0 HH11 ARG A 45 49.023 -12.498 14.747 1.00 0.00 H new ATOM 0 HH12 ARG A 45 48.126 -12.024 16.194 1.00 0.00 H new ATOM 0 HH21 ARG A 45 50.978 -10.962 17.915 1.00 0.00 H new ATOM 0 HH22 ARG A 45 49.223 -11.162 17.972 1.00 0.00 H new ATOM 685 N SER A 46 53.004 -10.188 10.208 1.00 0.00 N ATOM 686 CA SER A 46 52.063 -9.753 9.138 1.00 0.00 C ATOM 687 C SER A 46 51.439 -8.412 9.523 1.00 0.00 C ATOM 688 O SER A 46 50.251 -8.203 9.375 1.00 0.00 O ATOM 689 CB SER A 46 50.962 -10.800 8.961 1.00 0.00 C ATOM 690 OG SER A 46 50.815 -11.097 7.579 1.00 0.00 O ATOM 0 H SER A 46 53.990 -10.012 10.013 1.00 0.00 H new ATOM 0 HA SER A 46 52.608 -9.644 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 46 51.212 -11.705 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 46 50.021 -10.428 9.367 1.00 0.00 H new ATOM 0 HG SER A 46 50.111 -11.769 7.462 1.00 0.00 H new ATOM 696 N ARG A 47 52.232 -7.497 10.011 1.00 0.00 N ATOM 697 CA ARG A 47 51.679 -6.167 10.398 1.00 0.00 C ATOM 698 C ARG A 47 52.195 -5.102 9.427 1.00 0.00 C ATOM 699 O ARG A 47 51.440 -4.302 8.916 1.00 0.00 O ATOM 700 CB ARG A 47 52.109 -5.816 11.829 1.00 0.00 C ATOM 701 CG ARG A 47 53.430 -6.513 12.161 1.00 0.00 C ATOM 702 CD ARG A 47 53.763 -6.306 13.640 1.00 0.00 C ATOM 703 NE ARG A 47 54.053 -4.867 13.887 1.00 0.00 N ATOM 704 CZ ARG A 47 53.358 -4.206 14.771 1.00 0.00 C ATOM 705 NH1 ARG A 47 52.076 -4.419 14.882 1.00 0.00 N ATOM 706 NH2 ARG A 47 53.947 -3.339 15.548 1.00 0.00 N ATOM 0 H ARG A 47 53.235 -7.612 10.158 1.00 0.00 H new ATOM 0 HA ARG A 47 50.590 -6.203 10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 47 52.222 -4.737 11.930 1.00 0.00 H new ATOM 0 HB3 ARG A 47 51.338 -6.123 12.536 1.00 0.00 H new ATOM 0 HG2 ARG A 47 53.356 -7.578 11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 47 54.230 -6.113 11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 47 52.928 -6.631 14.261 1.00 0.00 H new ATOM 0 HD3 ARG A 47 54.623 -6.914 13.919 1.00 0.00 H new ATOM 0 HE ARG A 47 54.794 -4.399 13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 47 51.618 -5.102 14.278 1.00 0.00 H new ATOM 0 HH12 ARG A 47 51.531 -3.903 15.573 1.00 0.00 H new ATOM 0 HH21 ARG A 47 54.951 -3.178 15.464 1.00 0.00 H new ATOM 0 HH22 ARG A 47 53.404 -2.822 16.239 1.00 0.00 H new ATOM 720 N GLN A 48 53.474 -5.100 9.170 1.00 0.00 N ATOM 721 CA GLN A 48 54.070 -4.102 8.226 1.00 0.00 C ATOM 722 C GLN A 48 53.762 -2.673 8.695 1.00 0.00 C ATOM 723 O GLN A 48 52.626 -2.310 8.919 1.00 0.00 O ATOM 724 CB GLN A 48 53.538 -4.359 6.796 1.00 0.00 C ATOM 725 CG GLN A 48 52.431 -3.365 6.406 1.00 0.00 C ATOM 726 CD GLN A 48 53.060 -2.061 5.908 1.00 0.00 C ATOM 727 OE1 GLN A 48 53.824 -2.068 4.965 1.00 0.00 O ATOM 728 NE2 GLN A 48 52.764 -0.935 6.502 1.00 0.00 N ATOM 0 H GLN A 48 54.143 -5.754 9.577 1.00 0.00 H new ATOM 0 HA GLN A 48 55.154 -4.215 8.213 1.00 0.00 H new ATOM 0 HB2 GLN A 48 54.360 -4.284 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 48 53.152 -5.376 6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 48 51.800 -3.796 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 48 51.789 -3.166 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 48 52.122 -0.930 7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 48 53.175 -0.061 6.173 1.00 0.00 H new ATOM 737 N VAL A 49 54.774 -1.859 8.853 1.00 0.00 N ATOM 738 CA VAL A 49 54.533 -0.459 9.313 1.00 0.00 C ATOM 739 C VAL A 49 55.819 0.362 9.220 1.00 0.00 C ATOM 740 O VAL A 49 56.855 -0.036 9.714 1.00 0.00 O ATOM 741 CB VAL A 49 54.077 -0.468 10.770 1.00 0.00 C ATOM 742 CG1 VAL A 49 52.558 -0.617 10.836 1.00 0.00 C ATOM 743 CG2 VAL A 49 54.744 -1.633 11.502 1.00 0.00 C ATOM 0 H VAL A 49 55.750 -2.101 8.685 1.00 0.00 H new ATOM 0 HA VAL A 49 53.767 -0.017 8.676 1.00 0.00 H new ATOM 0 HB VAL A 49 54.362 0.470 11.245 1.00 0.00 H new ATOM 0 HG11 VAL A 49 52.238 -0.623 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 49 52.088 0.218 10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 49 52.263 -1.553 10.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 54.420 -1.642 12.543 1.00 0.00 H new ATOM 0 HG22 VAL A 49 54.461 -2.572 11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 49 55.827 -1.517 11.460 1.00 0.00 H new ATOM 753 N CYS A 50 55.756 1.513 8.611 1.00 0.00 N ATOM 754 CA CYS A 50 56.954 2.367 8.514 1.00 0.00 C ATOM 755 C CYS A 50 57.552 2.535 9.904 1.00 0.00 C ATOM 756 O CYS A 50 57.087 1.957 10.862 1.00 0.00 O ATOM 757 CB CYS A 50 56.566 3.736 7.949 1.00 0.00 C ATOM 758 SG CYS A 50 55.701 3.519 6.373 1.00 0.00 S ATOM 0 H CYS A 50 54.916 1.894 8.176 1.00 0.00 H new ATOM 0 HA CYS A 50 57.686 1.905 7.851 1.00 0.00 H new ATOM 0 HB2 CYS A 50 55.927 4.265 8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.457 4.347 7.805 1.00 0.00 H new ATOM 763 N ALA A 51 58.581 3.316 10.019 1.00 0.00 N ATOM 764 CA ALA A 51 59.217 3.522 11.352 1.00 0.00 C ATOM 765 C ALA A 51 59.711 4.963 11.463 1.00 0.00 C ATOM 766 O ALA A 51 59.096 5.804 12.089 1.00 0.00 O ATOM 767 CB ALA A 51 60.404 2.566 11.496 1.00 0.00 C ATOM 0 H ALA A 51 59.014 3.825 9.248 1.00 0.00 H new ATOM 0 HA ALA A 51 58.489 3.326 12.139 1.00 0.00 H new ATOM 0 HB1 ALA A 51 60.873 2.712 12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 51 60.055 1.537 11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 51 61.131 2.767 10.709 1.00 0.00 H new ATOM 773 N ASP A 52 60.822 5.238 10.852 1.00 0.00 N ATOM 774 CA ASP A 52 61.403 6.613 10.893 1.00 0.00 C ATOM 775 C ASP A 52 62.787 6.584 10.239 1.00 0.00 C ATOM 776 O ASP A 52 63.506 5.613 10.368 1.00 0.00 O ATOM 777 CB ASP A 52 61.544 7.073 12.352 1.00 0.00 C ATOM 778 CG ASP A 52 61.197 8.560 12.458 1.00 0.00 C ATOM 779 OD1 ASP A 52 60.297 8.990 11.754 1.00 0.00 O ATOM 780 OD2 ASP A 52 61.835 9.242 13.242 1.00 0.00 O ATOM 0 H ASP A 52 61.365 4.561 10.316 1.00 0.00 H new ATOM 0 HA ASP A 52 60.749 7.303 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 52 60.884 6.489 12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.562 6.901 12.701 1.00 0.00 H new ATOM 785 N PRO A 53 63.132 7.655 9.571 1.00 0.00 N ATOM 786 CA PRO A 53 64.439 7.775 8.909 1.00 0.00 C ATOM 787 C PRO A 53 65.523 8.006 9.962 1.00 0.00 C ATOM 788 O PRO A 53 66.699 8.056 9.663 1.00 0.00 O ATOM 789 CB PRO A 53 64.275 8.993 7.996 1.00 0.00 C ATOM 790 CG PRO A 53 63.109 9.819 8.584 1.00 0.00 C ATOM 791 CD PRO A 53 62.263 8.839 9.422 1.00 0.00 C ATOM 0 HA PRO A 53 64.734 6.886 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 53 65.192 9.582 7.964 1.00 0.00 H new ATOM 0 HB3 PRO A 53 64.057 8.686 6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 53 63.484 10.635 9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 53 62.512 10.268 7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 53 62.000 9.266 10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 53 61.329 8.588 8.920 1.00 0.00 H new ATOM 799 N SER A 54 65.126 8.139 11.200 1.00 0.00 N ATOM 800 CA SER A 54 66.115 8.356 12.285 1.00 0.00 C ATOM 801 C SER A 54 66.149 7.117 13.180 1.00 0.00 C ATOM 802 O SER A 54 67.026 6.963 14.005 1.00 0.00 O ATOM 803 CB SER A 54 65.702 9.570 13.116 1.00 0.00 C ATOM 804 OG SER A 54 66.860 10.313 13.470 1.00 0.00 O ATOM 0 H SER A 54 64.153 8.106 11.503 1.00 0.00 H new ATOM 0 HA SER A 54 67.101 8.531 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 65.014 10.196 12.549 1.00 0.00 H new ATOM 0 HB3 SER A 54 65.174 9.248 14.014 1.00 0.00 H new ATOM 0 HG SER A 54 66.598 11.093 14.002 1.00 0.00 H new ATOM 810 N GLU A 55 65.200 6.229 13.028 1.00 0.00 N ATOM 811 CA GLU A 55 65.200 5.011 13.883 1.00 0.00 C ATOM 812 C GLU A 55 66.565 4.380 13.854 1.00 0.00 C ATOM 813 O GLU A 55 66.912 3.630 12.968 1.00 0.00 O ATOM 814 CB GLU A 55 64.178 3.983 13.396 1.00 0.00 C ATOM 815 CG GLU A 55 62.751 4.530 13.488 1.00 0.00 C ATOM 816 CD GLU A 55 62.619 5.499 14.669 1.00 0.00 C ATOM 817 OE1 GLU A 55 63.256 6.539 14.632 1.00 0.00 O ATOM 818 OE2 GLU A 55 61.885 5.182 15.590 1.00 0.00 O ATOM 0 H GLU A 55 64.435 6.295 12.357 1.00 0.00 H new ATOM 0 HA GLU A 55 64.934 5.314 14.896 1.00 0.00 H new ATOM 0 HB2 GLU A 55 64.399 3.708 12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 55 64.261 3.074 13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.491 5.041 12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.047 3.706 13.606 1.00 0.00 H new ATOM 825 N GLU A 56 67.321 4.678 14.848 1.00 0.00 N ATOM 826 CA GLU A 56 68.681 4.107 14.974 1.00 0.00 C ATOM 827 C GLU A 56 68.661 2.647 14.507 1.00 0.00 C ATOM 828 O GLU A 56 69.435 2.232 13.668 1.00 0.00 O ATOM 829 CB GLU A 56 69.054 4.182 16.446 1.00 0.00 C ATOM 830 CG GLU A 56 70.348 3.404 16.707 1.00 0.00 C ATOM 831 CD GLU A 56 70.243 2.672 18.047 1.00 0.00 C ATOM 832 OE1 GLU A 56 69.168 2.682 18.622 1.00 0.00 O ATOM 833 OE2 GLU A 56 71.241 2.114 18.474 1.00 0.00 O ATOM 0 H GLU A 56 67.053 5.310 15.603 1.00 0.00 H new ATOM 0 HA GLU A 56 69.403 4.651 14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 56 69.181 5.223 16.743 1.00 0.00 H new ATOM 0 HB3 GLU A 56 68.247 3.773 17.054 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.523 2.689 15.903 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.198 4.086 16.719 1.00 0.00 H new ATOM 840 N TRP A 57 67.767 1.876 15.056 1.00 0.00 N ATOM 841 CA TRP A 57 67.648 0.442 14.680 1.00 0.00 C ATOM 842 C TRP A 57 67.345 0.290 13.185 1.00 0.00 C ATOM 843 O TRP A 57 67.910 -0.554 12.520 1.00 0.00 O ATOM 844 CB TRP A 57 66.531 -0.194 15.512 1.00 0.00 C ATOM 845 CG TRP A 57 65.286 0.655 15.525 1.00 0.00 C ATOM 846 CD1 TRP A 57 65.081 1.740 16.308 1.00 0.00 C ATOM 847 CD2 TRP A 57 64.062 0.481 14.762 1.00 0.00 C ATOM 848 NE1 TRP A 57 63.812 2.229 16.077 1.00 0.00 N ATOM 849 CE2 TRP A 57 63.143 1.487 15.133 1.00 0.00 C ATOM 850 CE3 TRP A 57 63.669 -0.444 13.796 1.00 0.00 C ATOM 851 CZ2 TRP A 57 61.874 1.565 14.566 1.00 0.00 C ATOM 852 CZ3 TRP A 57 62.393 -0.375 13.216 1.00 0.00 C ATOM 853 CH2 TRP A 57 61.495 0.627 13.603 1.00 0.00 C ATOM 0 H TRP A 57 67.101 2.186 15.763 1.00 0.00 H new ATOM 0 HA TRP A 57 68.594 -0.060 14.880 1.00 0.00 H new ATOM 0 HB2 TRP A 57 66.294 -1.179 15.109 1.00 0.00 H new ATOM 0 HB3 TRP A 57 66.879 -0.343 16.534 1.00 0.00 H new ATOM 0 HD1 TRP A 57 65.796 2.156 17.002 1.00 0.00 H new ATOM 0 HE1 TRP A 57 63.418 3.043 16.549 1.00 0.00 H new ATOM 0 HE3 TRP A 57 64.353 -1.222 13.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 61.189 2.343 14.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 62.102 -1.098 12.468 1.00 0.00 H new ATOM 0 HH2 TRP A 57 60.512 0.675 13.158 1.00 0.00 H new ATOM 864 N VAL A 58 66.464 1.084 12.646 1.00 0.00 N ATOM 865 CA VAL A 58 66.148 0.946 11.193 1.00 0.00 C ATOM 866 C VAL A 58 67.404 1.184 10.355 1.00 0.00 C ATOM 867 O VAL A 58 67.778 0.359 9.549 1.00 0.00 O ATOM 868 CB VAL A 58 65.089 1.961 10.790 1.00 0.00 C ATOM 869 CG1 VAL A 58 64.880 1.880 9.278 1.00 0.00 C ATOM 870 CG2 VAL A 58 63.780 1.638 11.510 1.00 0.00 C ATOM 0 H VAL A 58 65.953 1.816 13.140 1.00 0.00 H new ATOM 0 HA VAL A 58 65.776 -0.063 11.017 1.00 0.00 H new ATOM 0 HB VAL A 58 65.410 2.966 11.063 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.123 2.603 8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 58 65.818 2.103 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 58 64.551 0.876 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.019 2.363 11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 58 63.450 0.637 11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 58 63.937 1.683 12.588 1.00 0.00 H new ATOM 880 N GLN A 59 68.048 2.308 10.531 1.00 0.00 N ATOM 881 CA GLN A 59 69.283 2.609 9.742 1.00 0.00 C ATOM 882 C GLN A 59 70.094 1.333 9.561 1.00 0.00 C ATOM 883 O GLN A 59 70.732 1.120 8.548 1.00 0.00 O ATOM 884 CB GLN A 59 70.126 3.620 10.510 1.00 0.00 C ATOM 885 CG GLN A 59 69.472 4.999 10.429 1.00 0.00 C ATOM 886 CD GLN A 59 70.345 5.930 9.585 1.00 0.00 C ATOM 887 OE1 GLN A 59 70.949 6.849 10.101 1.00 0.00 O ATOM 888 NE2 GLN A 59 70.436 5.728 8.299 1.00 0.00 N ATOM 0 H GLN A 59 67.771 3.035 11.190 1.00 0.00 H new ATOM 0 HA GLN A 59 69.005 3.010 8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 59 70.222 3.312 11.551 1.00 0.00 H new ATOM 0 HB3 GLN A 59 71.133 3.659 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 59 68.478 4.917 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 59 69.344 5.412 11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 59 69.928 4.956 7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 59 71.015 6.342 7.726 1.00 0.00 H new ATOM 897 N LYS A 60 70.067 0.483 10.543 1.00 0.00 N ATOM 898 CA LYS A 60 70.825 -0.792 10.456 1.00 0.00 C ATOM 899 C LYS A 60 70.123 -1.719 9.466 1.00 0.00 C ATOM 900 O LYS A 60 70.741 -2.298 8.594 1.00 0.00 O ATOM 901 CB LYS A 60 70.858 -1.443 11.850 1.00 0.00 C ATOM 902 CG LYS A 60 71.217 -2.932 11.749 1.00 0.00 C ATOM 903 CD LYS A 60 72.619 -3.157 12.316 1.00 0.00 C ATOM 904 CE LYS A 60 73.518 -3.734 11.222 1.00 0.00 C ATOM 905 NZ LYS A 60 73.094 -5.128 10.917 1.00 0.00 N ATOM 0 H LYS A 60 69.548 0.617 11.411 1.00 0.00 H new ATOM 0 HA LYS A 60 71.844 -0.607 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 60 71.587 -0.931 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 60 69.887 -1.331 12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 60 70.490 -3.530 12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 60 71.177 -3.257 10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 60 73.031 -2.217 12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 60 72.576 -3.839 13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 60 73.457 -3.119 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.558 -3.722 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 73.840 -5.607 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 72.929 -5.643 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 72.216 -5.110 10.359 1.00 0.00 H new ATOM 919 N TYR A 61 68.842 -1.893 9.619 1.00 0.00 N ATOM 920 CA TYR A 61 68.102 -2.819 8.711 1.00 0.00 C ATOM 921 C TYR A 61 68.257 -2.391 7.249 1.00 0.00 C ATOM 922 O TYR A 61 68.423 -3.215 6.373 1.00 0.00 O ATOM 923 CB TYR A 61 66.620 -2.842 9.091 1.00 0.00 C ATOM 924 CG TYR A 61 66.466 -3.047 10.569 1.00 0.00 C ATOM 925 CD1 TYR A 61 67.567 -3.355 11.373 1.00 0.00 C ATOM 926 CD2 TYR A 61 65.210 -2.906 11.136 1.00 0.00 C ATOM 927 CE1 TYR A 61 67.404 -3.516 12.737 1.00 0.00 C ATOM 928 CE2 TYR A 61 65.044 -3.075 12.503 1.00 0.00 C ATOM 929 CZ TYR A 61 66.141 -3.379 13.313 1.00 0.00 C ATOM 930 OH TYR A 61 65.975 -3.539 14.674 1.00 0.00 O ATOM 0 H TYR A 61 68.273 -1.436 10.332 1.00 0.00 H new ATOM 0 HA TYR A 61 68.522 -3.819 8.822 1.00 0.00 H new ATOM 0 HB2 TYR A 61 66.147 -1.906 8.795 1.00 0.00 H new ATOM 0 HB3 TYR A 61 66.111 -3.641 8.551 1.00 0.00 H new ATOM 0 HD1 TYR A 61 68.545 -3.467 10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 61 64.361 -2.665 10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 61 68.257 -3.748 13.358 1.00 0.00 H new ATOM 0 HE2 TYR A 61 64.063 -2.971 12.943 1.00 0.00 H new ATOM 0 HH TYR A 61 65.058 -3.300 14.922 1.00 0.00 H new ATOM 940 N VAL A 62 68.212 -1.120 6.972 1.00 0.00 N ATOM 941 CA VAL A 62 68.365 -0.665 5.565 1.00 0.00 C ATOM 942 C VAL A 62 69.833 -0.785 5.167 1.00 0.00 C ATOM 943 O VAL A 62 70.177 -0.773 4.003 1.00 0.00 O ATOM 944 CB VAL A 62 67.920 0.793 5.453 1.00 0.00 C ATOM 945 CG1 VAL A 62 68.242 1.321 4.053 1.00 0.00 C ATOM 946 CG2 VAL A 62 66.413 0.884 5.697 1.00 0.00 C ATOM 0 H VAL A 62 68.076 -0.377 7.658 1.00 0.00 H new ATOM 0 HA VAL A 62 67.752 -1.279 4.905 1.00 0.00 H new ATOM 0 HB VAL A 62 68.447 1.392 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 62 67.924 2.361 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 62 69.316 1.255 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 62 67.716 0.723 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 62 66.094 1.923 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 62 65.887 0.285 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 62 66.183 0.509 6.694 1.00 0.00 H new ATOM 956 N SER A 63 70.701 -0.899 6.133 1.00 0.00 N ATOM 957 CA SER A 63 72.148 -1.018 5.819 1.00 0.00 C ATOM 958 C SER A 63 72.517 -2.494 5.652 1.00 0.00 C ATOM 959 O SER A 63 73.539 -2.946 6.130 1.00 0.00 O ATOM 960 CB SER A 63 72.967 -0.411 6.960 1.00 0.00 C ATOM 961 OG SER A 63 73.096 -1.365 8.005 1.00 0.00 O ATOM 0 H SER A 63 70.469 -0.915 7.126 1.00 0.00 H new ATOM 0 HA SER A 63 72.364 -0.486 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 63 73.952 -0.115 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 63 72.480 0.490 7.333 1.00 0.00 H new ATOM 0 HG SER A 63 72.271 -1.890 8.072 1.00 0.00 H new ATOM 1107 N ASP B 5 46.636 -0.440 6.844 1.00 0.00 N ATOM 1108 CA ASP B 5 48.052 -0.899 6.881 1.00 0.00 C ATOM 1109 C ASP B 5 48.525 -1.207 5.459 1.00 0.00 C ATOM 1110 O ASP B 5 47.868 -0.880 4.490 1.00 0.00 O ATOM 1111 CB ASP B 5 48.153 -2.163 7.739 1.00 0.00 C ATOM 1112 CG ASP B 5 49.059 -1.900 8.944 1.00 0.00 C ATOM 1113 OD1 ASP B 5 49.724 -0.878 8.950 1.00 0.00 O ATOM 1114 OD2 ASP B 5 49.071 -2.726 9.843 1.00 0.00 O ATOM 0 HA ASP B 5 48.679 -0.117 7.310 1.00 0.00 H new ATOM 0 HB2 ASP B 5 47.162 -2.465 8.077 1.00 0.00 H new ATOM 0 HB3 ASP B 5 48.551 -2.986 7.145 1.00 0.00 H new ATOM 1119 N THR B 6 49.661 -1.835 5.325 1.00 0.00 N ATOM 1120 CA THR B 6 50.174 -2.166 3.964 1.00 0.00 C ATOM 1121 C THR B 6 50.524 -0.871 3.223 1.00 0.00 C ATOM 1122 O THR B 6 50.104 0.199 3.617 1.00 0.00 O ATOM 1123 CB THR B 6 49.099 -2.929 3.181 1.00 0.00 C ATOM 1124 OG1 THR B 6 48.283 -2.005 2.478 1.00 0.00 O ATOM 1125 CG2 THR B 6 48.235 -3.743 4.146 1.00 0.00 C ATOM 0 H THR B 6 50.256 -2.133 6.098 1.00 0.00 H new ATOM 0 HA THR B 6 51.065 -2.787 4.053 1.00 0.00 H new ATOM 0 HB THR B 6 49.580 -3.604 2.473 1.00 0.00 H new ATOM 0 HG1 THR B 6 47.706 -1.530 3.112 1.00 0.00 H new ATOM 0 HG21 THR B 6 47.473 -4.283 3.585 1.00 0.00 H new ATOM 0 HG22 THR B 6 48.862 -4.454 4.684 1.00 0.00 H new ATOM 0 HG23 THR B 6 47.754 -3.072 4.858 1.00 0.00 H new ATOM 1133 N PRO B 7 51.282 -1.012 2.165 1.00 0.00 N ATOM 1134 CA PRO B 7 51.709 0.130 1.337 1.00 0.00 C ATOM 1135 C PRO B 7 50.554 0.601 0.445 1.00 0.00 C ATOM 1136 O PRO B 7 49.582 -0.101 0.249 1.00 0.00 O ATOM 1137 CB PRO B 7 52.862 -0.440 0.503 1.00 0.00 C ATOM 1138 CG PRO B 7 52.666 -1.976 0.484 1.00 0.00 C ATOM 1139 CD PRO B 7 51.781 -2.322 1.696 1.00 0.00 C ATOM 0 HA PRO B 7 52.010 1.000 1.921 1.00 0.00 H new ATOM 0 HB2 PRO B 7 52.848 -0.034 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO B 7 53.825 -0.176 0.940 1.00 0.00 H new ATOM 0 HG2 PRO B 7 52.193 -2.295 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO B 7 53.625 -2.490 0.546 1.00 0.00 H new ATOM 0 HD2 PRO B 7 50.961 -2.983 1.415 1.00 0.00 H new ATOM 0 HD3 PRO B 7 52.351 -2.833 2.472 1.00 0.00 H new ATOM 1147 N THR B 8 50.650 1.789 -0.087 1.00 0.00 N ATOM 1148 CA THR B 8 49.555 2.311 -0.954 1.00 0.00 C ATOM 1149 C THR B 8 50.160 3.115 -2.108 1.00 0.00 C ATOM 1150 O THR B 8 50.669 4.202 -1.918 1.00 0.00 O ATOM 1151 CB THR B 8 48.643 3.213 -0.113 1.00 0.00 C ATOM 1152 OG1 THR B 8 48.083 2.454 0.949 1.00 0.00 O ATOM 1153 CG2 THR B 8 47.518 3.782 -0.979 1.00 0.00 C ATOM 0 H THR B 8 51.440 2.421 0.041 1.00 0.00 H new ATOM 0 HA THR B 8 48.975 1.483 -1.362 1.00 0.00 H new ATOM 0 HB THR B 8 49.231 4.038 0.290 1.00 0.00 H new ATOM 0 HG1 THR B 8 47.597 3.050 1.556 1.00 0.00 H new ATOM 0 HG21 THR B 8 46.878 4.420 -0.370 1.00 0.00 H new ATOM 0 HG22 THR B 8 47.946 4.367 -1.793 1.00 0.00 H new ATOM 0 HG23 THR B 8 46.928 2.964 -1.392 1.00 0.00 H new ATOM 1161 N ALA B 9 50.114 2.587 -3.303 1.00 0.00 N ATOM 1162 CA ALA B 9 50.689 3.320 -4.469 1.00 0.00 C ATOM 1163 C ALA B 9 50.108 4.734 -4.518 1.00 0.00 C ATOM 1164 O ALA B 9 49.408 5.158 -3.619 1.00 0.00 O ATOM 1165 CB ALA B 9 50.344 2.578 -5.764 1.00 0.00 C ATOM 0 H ALA B 9 49.703 1.680 -3.522 1.00 0.00 H new ATOM 0 HA ALA B 9 51.772 3.376 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA B 9 50.765 3.115 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA B 9 50.760 1.571 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA B 9 49.261 2.519 -5.872 1.00 0.00 H new ATOM 1171 N CYS B 10 50.392 5.472 -5.557 1.00 0.00 N ATOM 1172 CA CYS B 10 49.851 6.857 -5.641 1.00 0.00 C ATOM 1173 C CYS B 10 49.925 7.371 -7.078 1.00 0.00 C ATOM 1174 O CYS B 10 50.983 7.450 -7.670 1.00 0.00 O ATOM 1175 CB CYS B 10 50.675 7.775 -4.739 1.00 0.00 C ATOM 1176 SG CYS B 10 49.936 7.811 -3.091 1.00 0.00 S ATOM 0 H CYS B 10 50.970 5.178 -6.344 1.00 0.00 H new ATOM 0 HA CYS B 10 48.810 6.849 -5.319 1.00 0.00 H new ATOM 0 HB2 CYS B 10 51.704 7.420 -4.681 1.00 0.00 H new ATOM 0 HB3 CYS B 10 50.708 8.781 -5.157 1.00 0.00 H new ATOM 1181 N CYS B 11 48.806 7.742 -7.635 1.00 0.00 N ATOM 1182 CA CYS B 11 48.803 8.278 -9.023 1.00 0.00 C ATOM 1183 C CYS B 11 48.747 9.804 -8.944 1.00 0.00 C ATOM 1184 O CYS B 11 47.699 10.386 -8.751 1.00 0.00 O ATOM 1185 CB CYS B 11 47.578 7.753 -9.775 1.00 0.00 C ATOM 1186 SG CYS B 11 48.029 6.264 -10.700 1.00 0.00 S ATOM 0 H CYS B 11 47.891 7.697 -7.187 1.00 0.00 H new ATOM 0 HA CYS B 11 49.701 7.961 -9.553 1.00 0.00 H new ATOM 0 HB2 CYS B 11 46.776 7.528 -9.072 1.00 0.00 H new ATOM 0 HB3 CYS B 11 47.201 8.516 -10.456 1.00 0.00 H new ATOM 1191 N PHE B 12 49.868 10.454 -9.076 1.00 0.00 N ATOM 1192 CA PHE B 12 49.880 11.939 -8.991 1.00 0.00 C ATOM 1193 C PHE B 12 49.930 12.528 -10.401 1.00 0.00 C ATOM 1194 O PHE B 12 50.171 13.704 -10.586 1.00 0.00 O ATOM 1195 CB PHE B 12 51.105 12.389 -8.188 1.00 0.00 C ATOM 1196 CG PHE B 12 50.921 12.018 -6.731 1.00 0.00 C ATOM 1197 CD1 PHE B 12 49.721 12.329 -6.078 1.00 0.00 C ATOM 1198 CD2 PHE B 12 51.947 11.363 -6.033 1.00 0.00 C ATOM 1199 CE1 PHE B 12 49.546 11.985 -4.731 1.00 0.00 C ATOM 1200 CE2 PHE B 12 51.770 11.021 -4.687 1.00 0.00 C ATOM 1201 CZ PHE B 12 50.571 11.333 -4.037 1.00 0.00 C ATOM 0 H PHE B 12 50.777 10.021 -9.239 1.00 0.00 H new ATOM 0 HA PHE B 12 48.977 12.289 -8.492 1.00 0.00 H new ATOM 0 HB2 PHE B 12 52.005 11.917 -8.583 1.00 0.00 H new ATOM 0 HB3 PHE B 12 51.241 13.466 -8.285 1.00 0.00 H new ATOM 0 HD1 PHE B 12 48.931 12.834 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE B 12 52.873 11.123 -6.534 1.00 0.00 H new ATOM 0 HE1 PHE B 12 48.620 12.223 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE B 12 52.559 10.516 -4.150 1.00 0.00 H new ATOM 0 HZ PHE B 12 50.437 11.070 -2.998 1.00 0.00 H new ATOM 1211 N SER B 13 49.692 11.718 -11.398 1.00 0.00 N ATOM 1212 CA SER B 13 49.716 12.229 -12.797 1.00 0.00 C ATOM 1213 C SER B 13 49.333 11.102 -13.759 1.00 0.00 C ATOM 1214 O SER B 13 49.984 10.077 -13.818 1.00 0.00 O ATOM 1215 CB SER B 13 51.118 12.734 -13.136 1.00 0.00 C ATOM 1216 OG SER B 13 51.919 11.642 -13.571 1.00 0.00 O ATOM 0 H SER B 13 49.482 10.724 -11.303 1.00 0.00 H new ATOM 0 HA SER B 13 49.004 13.048 -12.894 1.00 0.00 H new ATOM 0 HB2 SER B 13 51.065 13.494 -13.916 1.00 0.00 H new ATOM 0 HB3 SER B 13 51.568 13.205 -12.262 1.00 0.00 H new ATOM 0 HG SER B 13 51.457 10.800 -13.377 1.00 0.00 H new ATOM 1222 N TYR B 14 48.281 11.278 -14.518 1.00 0.00 N ATOM 1223 CA TYR B 14 47.870 10.210 -15.473 1.00 0.00 C ATOM 1224 C TYR B 14 48.143 10.667 -16.906 1.00 0.00 C ATOM 1225 O TYR B 14 48.834 11.638 -17.137 1.00 0.00 O ATOM 1226 CB TYR B 14 46.380 9.902 -15.319 1.00 0.00 C ATOM 1227 CG TYR B 14 45.940 10.176 -13.900 1.00 0.00 C ATOM 1228 CD1 TYR B 14 45.712 11.493 -13.482 1.00 0.00 C ATOM 1229 CD2 TYR B 14 45.758 9.116 -13.004 1.00 0.00 C ATOM 1230 CE1 TYR B 14 45.302 11.749 -12.168 1.00 0.00 C ATOM 1231 CE2 TYR B 14 45.348 9.372 -11.690 1.00 0.00 C ATOM 1232 CZ TYR B 14 45.119 10.688 -11.272 1.00 0.00 C ATOM 1233 OH TYR B 14 44.715 10.941 -9.975 1.00 0.00 O ATOM 0 H TYR B 14 47.693 12.111 -14.517 1.00 0.00 H new ATOM 0 HA TYR B 14 48.445 9.310 -15.256 1.00 0.00 H new ATOM 0 HB2 TYR B 14 45.801 10.512 -16.012 1.00 0.00 H new ATOM 0 HB3 TYR B 14 46.187 8.860 -15.573 1.00 0.00 H new ATOM 0 HD1 TYR B 14 45.852 12.311 -14.173 1.00 0.00 H new ATOM 0 HD2 TYR B 14 45.934 8.100 -13.326 1.00 0.00 H new ATOM 0 HE1 TYR B 14 45.127 12.765 -11.845 1.00 0.00 H new ATOM 0 HE2 TYR B 14 45.208 8.554 -10.999 1.00 0.00 H new ATOM 0 HH TYR B 14 45.473 10.819 -9.366 1.00 0.00 H new ATOM 1243 N THR B 15 47.610 9.967 -17.874 1.00 0.00 N ATOM 1244 CA THR B 15 47.851 10.362 -19.291 1.00 0.00 C ATOM 1245 C THR B 15 46.627 11.086 -19.855 1.00 0.00 C ATOM 1246 O THR B 15 45.539 10.546 -19.890 1.00 0.00 O ATOM 1247 CB THR B 15 48.126 9.109 -20.126 1.00 0.00 C ATOM 1248 OG1 THR B 15 47.182 8.101 -19.789 1.00 0.00 O ATOM 1249 CG2 THR B 15 49.541 8.604 -19.842 1.00 0.00 C ATOM 0 H THR B 15 47.022 9.144 -17.744 1.00 0.00 H new ATOM 0 HA THR B 15 48.710 11.032 -19.331 1.00 0.00 H new ATOM 0 HB THR B 15 48.037 9.350 -21.185 1.00 0.00 H new ATOM 0 HG1 THR B 15 46.278 8.477 -19.817 1.00 0.00 H new ATOM 0 HG21 THR B 15 49.735 7.712 -20.437 1.00 0.00 H new ATOM 0 HG22 THR B 15 50.263 9.378 -20.102 1.00 0.00 H new ATOM 0 HG23 THR B 15 49.635 8.361 -18.784 1.00 0.00 H new ATOM 1257 N SER B 16 46.795 12.293 -20.325 1.00 0.00 N ATOM 1258 CA SER B 16 45.635 13.021 -20.912 1.00 0.00 C ATOM 1259 C SER B 16 45.233 12.301 -22.199 1.00 0.00 C ATOM 1260 O SER B 16 44.075 12.238 -22.561 1.00 0.00 O ATOM 1261 CB SER B 16 46.033 14.463 -21.228 1.00 0.00 C ATOM 1262 OG SER B 16 45.550 15.317 -20.198 1.00 0.00 O ATOM 0 H SER B 16 47.679 12.803 -20.328 1.00 0.00 H new ATOM 0 HA SER B 16 44.802 13.039 -20.209 1.00 0.00 H new ATOM 0 HB2 SER B 16 47.117 14.545 -21.307 1.00 0.00 H new ATOM 0 HB3 SER B 16 45.620 14.764 -22.191 1.00 0.00 H new ATOM 0 HG SER B 16 45.804 16.243 -20.395 1.00 0.00 H new ATOM 1268 N ARG B 17 46.196 11.735 -22.876 1.00 0.00 N ATOM 1269 CA ARG B 17 45.903 10.985 -24.128 1.00 0.00 C ATOM 1270 C ARG B 17 46.269 9.520 -23.895 1.00 0.00 C ATOM 1271 O ARG B 17 46.992 9.200 -22.974 1.00 0.00 O ATOM 1272 CB ARG B 17 46.737 11.554 -25.279 1.00 0.00 C ATOM 1273 CG ARG B 17 48.222 11.482 -24.923 1.00 0.00 C ATOM 1274 CD ARG B 17 49.033 12.262 -25.961 1.00 0.00 C ATOM 1275 NE ARG B 17 50.461 12.315 -25.541 1.00 0.00 N ATOM 1276 CZ ARG B 17 51.375 12.703 -26.387 1.00 0.00 C ATOM 1277 NH1 ARG B 17 51.200 13.793 -27.082 1.00 0.00 N ATOM 1278 NH2 ARG B 17 52.464 11.999 -26.541 1.00 0.00 N ATOM 0 H ARG B 17 47.181 11.761 -22.612 1.00 0.00 H new ATOM 0 HA ARG B 17 44.848 11.075 -24.388 1.00 0.00 H new ATOM 0 HB2 ARG B 17 46.544 10.992 -26.193 1.00 0.00 H new ATOM 0 HB3 ARG B 17 46.449 12.587 -25.473 1.00 0.00 H new ATOM 0 HG2 ARG B 17 48.389 11.896 -23.929 1.00 0.00 H new ATOM 0 HG3 ARG B 17 48.550 10.443 -24.895 1.00 0.00 H new ATOM 0 HD2 ARG B 17 48.948 11.785 -26.937 1.00 0.00 H new ATOM 0 HD3 ARG B 17 48.636 13.272 -26.064 1.00 0.00 H new ATOM 0 HE ARG B 17 50.724 12.048 -24.592 1.00 0.00 H new ATOM 0 HH11 ARG B 17 50.348 14.342 -26.964 1.00 0.00 H new ATOM 0 HH12 ARG B 17 51.915 14.096 -27.743 1.00 0.00 H new ATOM 0 HH21 ARG B 17 52.600 11.145 -26.000 1.00 0.00 H new ATOM 0 HH22 ARG B 17 53.178 12.303 -27.203 1.00 0.00 H new ATOM 1292 N GLN B 18 45.775 8.621 -24.695 1.00 0.00 N ATOM 1293 CA GLN B 18 46.103 7.191 -24.470 1.00 0.00 C ATOM 1294 C GLN B 18 47.512 6.862 -24.926 1.00 0.00 C ATOM 1295 O GLN B 18 48.325 7.716 -25.220 1.00 0.00 O ATOM 1296 CB GLN B 18 45.141 6.300 -25.217 1.00 0.00 C ATOM 1297 CG GLN B 18 43.776 6.976 -25.332 1.00 0.00 C ATOM 1298 CD GLN B 18 43.630 7.585 -26.728 1.00 0.00 C ATOM 1299 OE1 GLN B 18 42.531 7.743 -27.222 1.00 0.00 O ATOM 1300 NE2 GLN B 18 44.700 7.934 -27.387 1.00 0.00 N ATOM 0 H GLN B 18 45.163 8.813 -25.488 1.00 0.00 H new ATOM 0 HA GLN B 18 46.023 7.014 -23.397 1.00 0.00 H new ATOM 0 HB2 GLN B 18 45.532 6.083 -26.211 1.00 0.00 H new ATOM 0 HB3 GLN B 18 45.040 5.346 -24.699 1.00 0.00 H new ATOM 0 HG2 GLN B 18 42.982 6.251 -25.154 1.00 0.00 H new ATOM 0 HG3 GLN B 18 43.676 7.751 -24.572 1.00 0.00 H new ATOM 0 HE21 GLN B 18 45.622 7.801 -26.971 1.00 0.00 H new ATOM 0 HE22 GLN B 18 44.615 8.340 -28.319 1.00 0.00 H new ATOM 1309 N ILE B 19 47.770 5.598 -24.986 1.00 0.00 N ATOM 1310 CA ILE B 19 49.067 5.065 -25.406 1.00 0.00 C ATOM 1311 C ILE B 19 48.764 3.643 -25.851 1.00 0.00 C ATOM 1312 O ILE B 19 48.174 2.881 -25.112 1.00 0.00 O ATOM 1313 CB ILE B 19 50.054 5.039 -24.232 1.00 0.00 C ATOM 1314 CG1 ILE B 19 49.319 5.319 -22.907 1.00 0.00 C ATOM 1315 CG2 ILE B 19 51.151 6.081 -24.457 1.00 0.00 C ATOM 1316 CD1 ILE B 19 49.179 6.828 -22.664 1.00 0.00 C ATOM 0 H ILE B 19 47.089 4.877 -24.745 1.00 0.00 H new ATOM 0 HA ILE B 19 49.523 5.671 -26.189 1.00 0.00 H new ATOM 0 HB ILE B 19 50.507 4.050 -24.173 1.00 0.00 H new ATOM 0 HG12 ILE B 19 48.332 4.858 -22.930 1.00 0.00 H new ATOM 0 HG13 ILE B 19 49.865 4.863 -22.081 1.00 0.00 H new ATOM 0 HG21 ILE B 19 51.850 6.060 -23.621 1.00 0.00 H new ATOM 0 HG22 ILE B 19 51.683 5.855 -25.381 1.00 0.00 H new ATOM 0 HG23 ILE B 19 50.702 7.072 -24.529 1.00 0.00 H new ATOM 0 HD11 ILE B 19 48.657 6.998 -21.722 1.00 0.00 H new ATOM 0 HD12 ILE B 19 50.169 7.282 -22.617 1.00 0.00 H new ATOM 0 HD13 ILE B 19 48.612 7.277 -23.480 1.00 0.00 H new ATOM 1328 N PRO B 20 49.131 3.337 -27.045 1.00 0.00 N ATOM 1329 CA PRO B 20 48.862 2.019 -27.625 1.00 0.00 C ATOM 1330 C PRO B 20 49.664 0.936 -26.908 1.00 0.00 C ATOM 1331 O PRO B 20 50.603 1.209 -26.188 1.00 0.00 O ATOM 1332 CB PRO B 20 49.238 2.197 -29.097 1.00 0.00 C ATOM 1333 CG PRO B 20 50.161 3.435 -29.158 1.00 0.00 C ATOM 1334 CD PRO B 20 49.873 4.257 -27.915 1.00 0.00 C ATOM 0 HA PRO B 20 47.829 1.687 -27.520 1.00 0.00 H new ATOM 0 HB2 PRO B 20 49.747 1.312 -29.479 1.00 0.00 H new ATOM 0 HB3 PRO B 20 48.349 2.343 -29.711 1.00 0.00 H new ATOM 0 HG2 PRO B 20 51.209 3.135 -29.189 1.00 0.00 H new ATOM 0 HG3 PRO B 20 49.969 4.017 -30.060 1.00 0.00 H new ATOM 0 HD2 PRO B 20 50.793 4.600 -27.441 1.00 0.00 H new ATOM 0 HD3 PRO B 20 49.286 5.145 -28.151 1.00 0.00 H new ATOM 1342 N GLN B 21 49.262 -0.292 -27.067 1.00 0.00 N ATOM 1343 CA GLN B 21 49.949 -1.409 -26.371 1.00 0.00 C ATOM 1344 C GLN B 21 51.434 -1.432 -26.742 1.00 0.00 C ATOM 1345 O GLN B 21 52.263 -1.885 -25.979 1.00 0.00 O ATOM 1346 CB GLN B 21 49.292 -2.726 -26.790 1.00 0.00 C ATOM 1347 CG GLN B 21 47.770 -2.630 -26.625 1.00 0.00 C ATOM 1348 CD GLN B 21 47.084 -3.375 -27.771 1.00 0.00 C ATOM 1349 OE1 GLN B 21 46.365 -4.327 -27.548 1.00 0.00 O ATOM 1350 NE2 GLN B 21 47.277 -2.977 -28.999 1.00 0.00 N ATOM 0 H GLN B 21 48.478 -0.571 -27.656 1.00 0.00 H new ATOM 0 HA GLN B 21 49.864 -1.274 -25.293 1.00 0.00 H new ATOM 0 HB2 GLN B 21 49.540 -2.952 -27.827 1.00 0.00 H new ATOM 0 HB3 GLN B 21 49.681 -3.545 -26.184 1.00 0.00 H new ATOM 0 HG2 GLN B 21 47.470 -3.057 -25.668 1.00 0.00 H new ATOM 0 HG3 GLN B 21 47.459 -1.585 -26.619 1.00 0.00 H new ATOM 0 HE21 GLN B 21 47.881 -2.177 -29.187 1.00 0.00 H new ATOM 0 HE22 GLN B 21 46.824 -3.466 -29.771 1.00 0.00 H new ATOM 1359 N ASN B 22 51.781 -0.956 -27.906 1.00 0.00 N ATOM 1360 CA ASN B 22 53.214 -0.964 -28.312 1.00 0.00 C ATOM 1361 C ASN B 22 53.943 0.211 -27.653 1.00 0.00 C ATOM 1362 O ASN B 22 55.145 0.193 -27.483 1.00 0.00 O ATOM 1363 CB ASN B 22 53.313 -0.840 -29.834 1.00 0.00 C ATOM 1364 CG ASN B 22 52.729 -2.096 -30.485 1.00 0.00 C ATOM 1365 OD1 ASN B 22 53.220 -3.188 -30.275 1.00 0.00 O ATOM 1366 ND2 ASN B 22 51.694 -1.987 -31.274 1.00 0.00 N ATOM 0 H ASN B 22 51.136 -0.563 -28.592 1.00 0.00 H new ATOM 0 HA ASN B 22 53.675 -1.898 -27.993 1.00 0.00 H new ATOM 0 HB2 ASN B 22 52.773 0.044 -30.174 1.00 0.00 H new ATOM 0 HB3 ASN B 22 54.353 -0.712 -30.133 1.00 0.00 H new ATOM 0 HD21 ASN B 22 51.298 -2.818 -31.714 1.00 0.00 H new ATOM 0 HD22 ASN B 22 51.282 -1.071 -31.451 1.00 0.00 H new ATOM 1373 N PHE B 23 53.224 1.234 -27.284 1.00 0.00 N ATOM 1374 CA PHE B 23 53.871 2.412 -26.639 1.00 0.00 C ATOM 1375 C PHE B 23 53.771 2.292 -25.118 1.00 0.00 C ATOM 1376 O PHE B 23 53.917 3.262 -24.402 1.00 0.00 O ATOM 1377 CB PHE B 23 53.151 3.685 -27.085 1.00 0.00 C ATOM 1378 CG PHE B 23 54.164 4.755 -27.403 1.00 0.00 C ATOM 1379 CD1 PHE B 23 54.731 5.513 -26.372 1.00 0.00 C ATOM 1380 CD2 PHE B 23 54.532 4.992 -28.730 1.00 0.00 C ATOM 1381 CE1 PHE B 23 55.668 6.509 -26.671 1.00 0.00 C ATOM 1382 CE2 PHE B 23 55.469 5.986 -29.030 1.00 0.00 C ATOM 1383 CZ PHE B 23 56.037 6.746 -28.001 1.00 0.00 C ATOM 0 H PHE B 23 52.213 1.306 -27.401 1.00 0.00 H new ATOM 0 HA PHE B 23 54.920 2.451 -26.931 1.00 0.00 H new ATOM 0 HB2 PHE B 23 52.537 3.479 -27.962 1.00 0.00 H new ATOM 0 HB3 PHE B 23 52.479 4.029 -26.299 1.00 0.00 H new ATOM 0 HD1 PHE B 23 54.446 5.330 -25.347 1.00 0.00 H new ATOM 0 HD2 PHE B 23 54.093 4.407 -29.525 1.00 0.00 H new ATOM 0 HE1 PHE B 23 56.106 7.094 -25.876 1.00 0.00 H new ATOM 0 HE2 PHE B 23 55.754 6.167 -30.056 1.00 0.00 H new ATOM 0 HZ PHE B 23 56.759 7.515 -28.233 1.00 0.00 H new ATOM 1393 N ILE B 24 53.502 1.119 -24.615 1.00 0.00 N ATOM 1394 CA ILE B 24 53.375 0.963 -23.141 1.00 0.00 C ATOM 1395 C ILE B 24 54.184 -0.250 -22.669 1.00 0.00 C ATOM 1396 O ILE B 24 54.708 -1.009 -23.459 1.00 0.00 O ATOM 1397 CB ILE B 24 51.883 0.794 -22.810 1.00 0.00 C ATOM 1398 CG1 ILE B 24 51.438 1.932 -21.896 1.00 0.00 C ATOM 1399 CG2 ILE B 24 51.601 -0.548 -22.114 1.00 0.00 C ATOM 1400 CD1 ILE B 24 49.916 1.995 -21.904 1.00 0.00 C ATOM 0 H ILE B 24 53.365 0.267 -25.158 1.00 0.00 H new ATOM 0 HA ILE B 24 53.768 1.840 -22.626 1.00 0.00 H new ATOM 0 HB ILE B 24 51.328 0.813 -23.748 1.00 0.00 H new ATOM 0 HG12 ILE B 24 51.805 1.769 -20.883 1.00 0.00 H new ATOM 0 HG13 ILE B 24 51.858 2.878 -22.238 1.00 0.00 H new ATOM 0 HG21 ILE B 24 50.536 -0.629 -21.897 1.00 0.00 H new ATOM 0 HG22 ILE B 24 51.901 -1.367 -22.768 1.00 0.00 H new ATOM 0 HG23 ILE B 24 52.166 -0.601 -21.183 1.00 0.00 H new ATOM 0 HD11 ILE B 24 49.582 2.804 -21.255 1.00 0.00 H new ATOM 0 HD12 ILE B 24 49.565 2.176 -22.920 1.00 0.00 H new ATOM 0 HD13 ILE B 24 49.511 1.050 -21.543 1.00 0.00 H new ATOM 1412 N ALA B 25 54.274 -0.435 -21.380 1.00 0.00 N ATOM 1413 CA ALA B 25 55.034 -1.599 -20.848 1.00 0.00 C ATOM 1414 C ALA B 25 54.489 -2.006 -19.471 1.00 0.00 C ATOM 1415 O ALA B 25 54.221 -3.165 -19.224 1.00 0.00 O ATOM 1416 CB ALA B 25 56.514 -1.229 -20.720 1.00 0.00 C ATOM 0 H ALA B 25 53.854 0.170 -20.674 1.00 0.00 H new ATOM 0 HA ALA B 25 54.922 -2.437 -21.536 1.00 0.00 H new ATOM 0 HB1 ALA B 25 57.070 -2.082 -20.330 1.00 0.00 H new ATOM 0 HB2 ALA B 25 56.907 -0.957 -21.700 1.00 0.00 H new ATOM 0 HB3 ALA B 25 56.620 -0.385 -20.039 1.00 0.00 H new ATOM 1422 N ALA B 26 54.337 -1.073 -18.567 1.00 0.00 N ATOM 1423 CA ALA B 26 53.827 -1.437 -17.207 1.00 0.00 C ATOM 1424 C ALA B 26 52.352 -1.054 -17.047 1.00 0.00 C ATOM 1425 O ALA B 26 51.617 -0.931 -18.006 1.00 0.00 O ATOM 1426 CB ALA B 26 54.650 -0.716 -16.141 1.00 0.00 C ATOM 0 H ALA B 26 54.541 -0.084 -18.707 1.00 0.00 H new ATOM 0 HA ALA B 26 53.920 -2.517 -17.088 1.00 0.00 H new ATOM 0 HB1 ALA B 26 54.277 -0.982 -15.152 1.00 0.00 H new ATOM 0 HB2 ALA B 26 55.696 -1.012 -16.227 1.00 0.00 H new ATOM 0 HB3 ALA B 26 54.565 0.361 -16.283 1.00 0.00 H new ATOM 1432 N TYR B 27 51.926 -0.862 -15.822 1.00 0.00 N ATOM 1433 CA TYR B 27 50.509 -0.481 -15.554 1.00 0.00 C ATOM 1434 C TYR B 27 50.323 -0.238 -14.048 1.00 0.00 C ATOM 1435 O TYR B 27 49.706 0.723 -13.631 1.00 0.00 O ATOM 1436 CB TYR B 27 49.583 -1.609 -15.992 1.00 0.00 C ATOM 1437 CG TYR B 27 50.085 -2.913 -15.424 1.00 0.00 C ATOM 1438 CD1 TYR B 27 50.999 -3.681 -16.151 1.00 0.00 C ATOM 1439 CD2 TYR B 27 49.636 -3.353 -14.172 1.00 0.00 C ATOM 1440 CE1 TYR B 27 51.466 -4.893 -15.628 1.00 0.00 C ATOM 1441 CE2 TYR B 27 50.104 -4.564 -13.648 1.00 0.00 C ATOM 1442 CZ TYR B 27 51.019 -5.335 -14.377 1.00 0.00 C ATOM 1443 OH TYR B 27 51.480 -6.531 -13.864 1.00 0.00 O ATOM 0 H TYR B 27 52.508 -0.955 -14.990 1.00 0.00 H new ATOM 0 HA TYR B 27 50.269 0.426 -16.109 1.00 0.00 H new ATOM 0 HB2 TYR B 27 48.567 -1.416 -15.647 1.00 0.00 H new ATOM 0 HB3 TYR B 27 49.546 -1.663 -17.080 1.00 0.00 H new ATOM 0 HD1 TYR B 27 51.345 -3.340 -17.116 1.00 0.00 H new ATOM 0 HD2 TYR B 27 48.930 -2.759 -13.612 1.00 0.00 H new ATOM 0 HE1 TYR B 27 52.171 -5.487 -16.190 1.00 0.00 H new ATOM 0 HE2 TYR B 27 49.760 -4.904 -12.682 1.00 0.00 H new ATOM 0 HH TYR B 27 51.072 -6.690 -12.987 1.00 0.00 H new ATOM 1453 N PHE B 28 50.858 -1.096 -13.227 1.00 0.00 N ATOM 1454 CA PHE B 28 50.715 -0.904 -11.755 1.00 0.00 C ATOM 1455 C PHE B 28 49.242 -0.659 -11.410 1.00 0.00 C ATOM 1456 O PHE B 28 48.360 -1.286 -11.959 1.00 0.00 O ATOM 1457 CB PHE B 28 51.554 0.298 -11.318 1.00 0.00 C ATOM 1458 CG PHE B 28 52.977 0.123 -11.785 1.00 0.00 C ATOM 1459 CD1 PHE B 28 53.902 -0.560 -10.986 1.00 0.00 C ATOM 1460 CD2 PHE B 28 53.374 0.648 -13.019 1.00 0.00 C ATOM 1461 CE1 PHE B 28 55.223 -0.717 -11.422 1.00 0.00 C ATOM 1462 CE2 PHE B 28 54.692 0.490 -13.455 1.00 0.00 C ATOM 1463 CZ PHE B 28 55.618 -0.191 -12.657 1.00 0.00 C ATOM 0 H PHE B 28 51.387 -1.921 -13.509 1.00 0.00 H new ATOM 0 HA PHE B 28 51.061 -1.797 -11.234 1.00 0.00 H new ATOM 0 HB2 PHE B 28 51.136 1.215 -11.732 1.00 0.00 H new ATOM 0 HB3 PHE B 28 51.527 0.397 -10.233 1.00 0.00 H new ATOM 0 HD1 PHE B 28 53.596 -0.966 -10.033 1.00 0.00 H new ATOM 0 HD2 PHE B 28 52.661 1.176 -13.635 1.00 0.00 H new ATOM 0 HE1 PHE B 28 55.937 -1.244 -10.806 1.00 0.00 H new ATOM 0 HE2 PHE B 28 54.996 0.894 -14.409 1.00 0.00 H new ATOM 0 HZ PHE B 28 56.637 -0.311 -12.994 1.00 0.00 H new ATOM 1473 N GLU B 29 48.970 0.245 -10.498 1.00 0.00 N ATOM 1474 CA GLU B 29 47.563 0.526 -10.112 1.00 0.00 C ATOM 1475 C GLU B 29 47.535 1.362 -8.828 1.00 0.00 C ATOM 1476 O GLU B 29 48.453 1.329 -8.032 1.00 0.00 O ATOM 1477 CB GLU B 29 46.838 -0.795 -9.895 1.00 0.00 C ATOM 1478 CG GLU B 29 47.732 -1.762 -9.111 1.00 0.00 C ATOM 1479 CD GLU B 29 47.249 -1.846 -7.662 1.00 0.00 C ATOM 1480 OE1 GLU B 29 46.053 -1.739 -7.451 1.00 0.00 O ATOM 1481 OE2 GLU B 29 48.084 -2.014 -6.789 1.00 0.00 O ATOM 0 H GLU B 29 49.671 0.799 -10.006 1.00 0.00 H new ATOM 0 HA GLU B 29 47.066 1.087 -10.903 1.00 0.00 H new ATOM 0 HB2 GLU B 29 45.909 -0.624 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU B 29 46.569 -1.234 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU B 29 47.708 -2.750 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU B 29 48.767 -1.422 -9.141 1.00 0.00 H new ATOM 1488 N THR B 30 46.490 2.122 -8.629 1.00 0.00 N ATOM 1489 CA THR B 30 46.400 2.976 -7.407 1.00 0.00 C ATOM 1490 C THR B 30 44.940 3.055 -6.949 1.00 0.00 C ATOM 1491 O THR B 30 44.045 2.598 -7.632 1.00 0.00 O ATOM 1492 CB THR B 30 46.910 4.385 -7.744 1.00 0.00 C ATOM 1493 OG1 THR B 30 46.054 4.989 -8.707 1.00 0.00 O ATOM 1494 CG2 THR B 30 48.323 4.291 -8.319 1.00 0.00 C ATOM 0 H THR B 30 45.693 2.188 -9.262 1.00 0.00 H new ATOM 0 HA THR B 30 47.006 2.547 -6.609 1.00 0.00 H new ATOM 0 HB THR B 30 46.920 4.989 -6.836 1.00 0.00 H new ATOM 0 HG1 THR B 30 46.565 5.188 -9.519 1.00 0.00 H new ATOM 0 HG21 THR B 30 48.686 5.291 -8.558 1.00 0.00 H new ATOM 0 HG22 THR B 30 48.985 3.831 -7.585 1.00 0.00 H new ATOM 0 HG23 THR B 30 48.308 3.684 -9.224 1.00 0.00 H new ATOM 1502 N SER B 31 44.681 3.643 -5.809 1.00 0.00 N ATOM 1503 CA SER B 31 43.268 3.751 -5.349 1.00 0.00 C ATOM 1504 C SER B 31 43.156 4.609 -4.085 1.00 0.00 C ATOM 1505 O SER B 31 43.903 5.546 -3.885 1.00 0.00 O ATOM 1506 CB SER B 31 42.699 2.366 -5.087 1.00 0.00 C ATOM 1507 OG SER B 31 43.070 1.940 -3.783 1.00 0.00 O ATOM 0 H SER B 31 45.379 4.048 -5.185 1.00 0.00 H new ATOM 0 HA SER B 31 42.694 4.236 -6.138 1.00 0.00 H new ATOM 0 HB2 SER B 31 41.613 2.384 -5.180 1.00 0.00 H new ATOM 0 HB3 SER B 31 43.071 1.662 -5.831 1.00 0.00 H new ATOM 0 HG SER B 31 42.702 1.048 -3.613 1.00 0.00 H new ATOM 1513 N SER B 32 42.200 4.305 -3.246 1.00 0.00 N ATOM 1514 CA SER B 32 41.991 5.100 -2.002 1.00 0.00 C ATOM 1515 C SER B 32 43.296 5.228 -1.221 1.00 0.00 C ATOM 1516 O SER B 32 44.361 4.889 -1.698 1.00 0.00 O ATOM 1517 CB SER B 32 40.948 4.400 -1.130 1.00 0.00 C ATOM 1518 OG SER B 32 41.608 3.620 -0.141 1.00 0.00 O ATOM 0 H SER B 32 41.548 3.531 -3.373 1.00 0.00 H new ATOM 0 HA SER B 32 41.647 6.098 -2.274 1.00 0.00 H new ATOM 0 HB2 SER B 32 40.300 5.137 -0.655 1.00 0.00 H new ATOM 0 HB3 SER B 32 40.311 3.765 -1.745 1.00 0.00 H new ATOM 0 HG SER B 32 40.942 3.172 0.420 1.00 0.00 H new ATOM 1524 N GLN B 33 43.214 5.723 -0.017 1.00 0.00 N ATOM 1525 CA GLN B 33 44.437 5.885 0.811 1.00 0.00 C ATOM 1526 C GLN B 33 45.446 6.751 0.058 1.00 0.00 C ATOM 1527 O GLN B 33 46.618 6.767 0.371 1.00 0.00 O ATOM 1528 CB GLN B 33 45.046 4.512 1.099 1.00 0.00 C ATOM 1529 CG GLN B 33 44.355 3.896 2.318 1.00 0.00 C ATOM 1530 CD GLN B 33 45.402 3.267 3.238 1.00 0.00 C ATOM 1531 OE1 GLN B 33 46.587 3.423 3.027 1.00 0.00 O ATOM 1532 NE2 GLN B 33 45.010 2.556 4.261 1.00 0.00 N ATOM 0 H GLN B 33 42.347 6.023 0.429 1.00 0.00 H new ATOM 0 HA GLN B 33 44.179 6.367 1.754 1.00 0.00 H new ATOM 0 HB2 GLN B 33 44.929 3.861 0.233 1.00 0.00 H new ATOM 0 HB3 GLN B 33 46.116 4.608 1.283 1.00 0.00 H new ATOM 0 HG2 GLN B 33 43.796 4.661 2.857 1.00 0.00 H new ATOM 0 HG3 GLN B 33 43.636 3.141 1.998 1.00 0.00 H new ATOM 0 HE21 GLN B 33 44.014 2.424 4.439 1.00 0.00 H new ATOM 0 HE22 GLN B 33 45.700 2.132 4.882 1.00 0.00 H new ATOM 1541 N CYS B 34 45.002 7.478 -0.933 1.00 0.00 N ATOM 1542 CA CYS B 34 45.948 8.342 -1.692 1.00 0.00 C ATOM 1543 C CYS B 34 45.207 9.110 -2.793 1.00 0.00 C ATOM 1544 O CYS B 34 44.594 10.128 -2.541 1.00 0.00 O ATOM 1545 CB CYS B 34 47.041 7.473 -2.315 1.00 0.00 C ATOM 1546 SG CYS B 34 48.063 8.490 -3.406 1.00 0.00 S ATOM 0 H CYS B 34 44.032 7.510 -1.247 1.00 0.00 H new ATOM 0 HA CYS B 34 46.397 9.062 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS B 34 47.656 7.026 -1.534 1.00 0.00 H new ATOM 0 HB3 CYS B 34 46.594 6.653 -2.877 1.00 0.00 H new ATOM 1551 N SER B 35 45.275 8.648 -4.017 1.00 0.00 N ATOM 1552 CA SER B 35 44.594 9.379 -5.125 1.00 0.00 C ATOM 1553 C SER B 35 43.267 8.709 -5.494 1.00 0.00 C ATOM 1554 O SER B 35 42.203 9.223 -5.212 1.00 0.00 O ATOM 1555 CB SER B 35 45.507 9.402 -6.351 1.00 0.00 C ATOM 1556 OG SER B 35 46.828 9.736 -5.947 1.00 0.00 O ATOM 0 H SER B 35 45.770 7.801 -4.294 1.00 0.00 H new ATOM 0 HA SER B 35 44.385 10.395 -4.791 1.00 0.00 H new ATOM 0 HB2 SER B 35 45.500 8.429 -6.842 1.00 0.00 H new ATOM 0 HB3 SER B 35 45.142 10.128 -7.077 1.00 0.00 H new ATOM 0 HG SER B 35 47.169 9.046 -5.341 1.00 0.00 H new ATOM 1562 N LYS B 36 43.317 7.582 -6.155 1.00 0.00 N ATOM 1563 CA LYS B 36 42.052 6.913 -6.573 1.00 0.00 C ATOM 1564 C LYS B 36 42.396 5.804 -7.576 1.00 0.00 C ATOM 1565 O LYS B 36 43.560 5.540 -7.793 1.00 0.00 O ATOM 1566 CB LYS B 36 41.167 7.962 -7.227 1.00 0.00 C ATOM 1567 CG LYS B 36 39.855 8.090 -6.448 1.00 0.00 C ATOM 1568 CD LYS B 36 38.959 9.137 -7.116 1.00 0.00 C ATOM 1569 CE LYS B 36 37.563 8.551 -7.330 1.00 0.00 C ATOM 1570 NZ LYS B 36 36.597 9.651 -7.613 1.00 0.00 N ATOM 0 H LYS B 36 44.175 7.099 -6.422 1.00 0.00 H new ATOM 0 HA LYS B 36 41.532 6.472 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS B 36 41.682 8.922 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS B 36 40.962 7.685 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS B 36 39.344 7.127 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS B 36 40.060 8.377 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS B 36 38.899 10.030 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS B 36 39.387 9.442 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS B 36 37.578 7.844 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS B 36 37.250 7.997 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 35.648 9.251 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 36.576 10.310 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 36.893 10.161 -8.470 1.00 0.00 H new ATOM 1584 N PRO B 37 41.401 5.161 -8.156 1.00 0.00 N ATOM 1585 CA PRO B 37 41.659 4.072 -9.113 1.00 0.00 C ATOM 1586 C PRO B 37 42.319 4.599 -10.385 1.00 0.00 C ATOM 1587 O PRO B 37 41.705 5.245 -11.209 1.00 0.00 O ATOM 1588 CB PRO B 37 40.280 3.462 -9.376 1.00 0.00 C ATOM 1589 CG PRO B 37 39.250 4.535 -8.971 1.00 0.00 C ATOM 1590 CD PRO B 37 39.956 5.445 -7.947 1.00 0.00 C ATOM 0 HA PRO B 37 42.357 3.328 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO B 37 40.168 3.192 -10.426 1.00 0.00 H new ATOM 0 HB3 PRO B 37 40.141 2.550 -8.795 1.00 0.00 H new ATOM 0 HG2 PRO B 37 38.922 5.107 -9.839 1.00 0.00 H new ATOM 0 HG3 PRO B 37 38.361 4.077 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO B 37 39.726 6.496 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO B 37 39.647 5.215 -6.927 1.00 0.00 H new ATOM 1598 N GLY B 38 43.581 4.311 -10.530 1.00 0.00 N ATOM 1599 CA GLY B 38 44.342 4.759 -11.724 1.00 0.00 C ATOM 1600 C GLY B 38 45.522 3.808 -11.921 1.00 0.00 C ATOM 1601 O GLY B 38 46.117 3.341 -10.971 1.00 0.00 O ATOM 0 H GLY B 38 44.126 3.773 -9.857 1.00 0.00 H new ATOM 0 HA2 GLY B 38 43.701 4.758 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY B 38 44.696 5.781 -11.588 1.00 0.00 H new ATOM 1605 N VAL B 39 45.856 3.502 -13.138 1.00 0.00 N ATOM 1606 CA VAL B 39 46.986 2.564 -13.383 1.00 0.00 C ATOM 1607 C VAL B 39 48.213 3.345 -13.845 1.00 0.00 C ATOM 1608 O VAL B 39 48.142 4.075 -14.803 1.00 0.00 O ATOM 1609 CB VAL B 39 46.572 1.561 -14.469 1.00 0.00 C ATOM 1610 CG1 VAL B 39 47.140 1.987 -15.834 1.00 0.00 C ATOM 1611 CG2 VAL B 39 47.106 0.177 -14.101 1.00 0.00 C ATOM 0 H VAL B 39 45.397 3.859 -13.976 1.00 0.00 H new ATOM 0 HA VAL B 39 47.230 2.033 -12.463 1.00 0.00 H new ATOM 0 HB VAL B 39 45.484 1.534 -14.536 1.00 0.00 H new ATOM 0 HG11 VAL B 39 46.838 1.267 -16.594 1.00 0.00 H new ATOM 0 HG12 VAL B 39 46.756 2.973 -16.096 1.00 0.00 H new ATOM 0 HG13 VAL B 39 48.228 2.023 -15.780 1.00 0.00 H new ATOM 0 HG21 VAL B 39 46.816 -0.541 -14.868 1.00 0.00 H new ATOM 0 HG22 VAL B 39 48.193 0.213 -14.031 1.00 0.00 H new ATOM 0 HG23 VAL B 39 46.691 -0.130 -13.141 1.00 0.00 H new ATOM 1621 N ILE B 40 49.338 3.164 -13.212 1.00 0.00 N ATOM 1622 CA ILE B 40 50.564 3.885 -13.667 1.00 0.00 C ATOM 1623 C ILE B 40 51.123 3.161 -14.887 1.00 0.00 C ATOM 1624 O ILE B 40 51.081 1.960 -14.973 1.00 0.00 O ATOM 1625 CB ILE B 40 51.608 3.897 -12.555 1.00 0.00 C ATOM 1626 CG1 ILE B 40 50.997 4.502 -11.293 1.00 0.00 C ATOM 1627 CG2 ILE B 40 52.805 4.741 -12.992 1.00 0.00 C ATOM 1628 CD1 ILE B 40 51.311 3.598 -10.108 1.00 0.00 C ATOM 0 H ILE B 40 49.464 2.553 -12.405 1.00 0.00 H new ATOM 0 HA ILE B 40 50.314 4.915 -13.920 1.00 0.00 H new ATOM 0 HB ILE B 40 51.935 2.877 -12.351 1.00 0.00 H new ATOM 0 HG12 ILE B 40 51.399 5.501 -11.122 1.00 0.00 H new ATOM 0 HG13 ILE B 40 49.919 4.608 -11.410 1.00 0.00 H new ATOM 0 HG21 ILE B 40 53.552 4.751 -12.199 1.00 0.00 H new ATOM 0 HG22 ILE B 40 53.241 4.314 -13.895 1.00 0.00 H new ATOM 0 HG23 ILE B 40 52.477 5.761 -13.194 1.00 0.00 H new ATOM 0 HD11 ILE B 40 50.878 4.022 -9.202 1.00 0.00 H new ATOM 0 HD12 ILE B 40 50.888 2.609 -10.283 1.00 0.00 H new ATOM 0 HD13 ILE B 40 52.391 3.515 -9.990 1.00 0.00 H new ATOM 1640 N PHE B 41 51.635 3.865 -15.844 1.00 0.00 N ATOM 1641 CA PHE B 41 52.161 3.161 -17.044 1.00 0.00 C ATOM 1642 C PHE B 41 53.667 3.364 -17.159 1.00 0.00 C ATOM 1643 O PHE B 41 54.235 4.254 -16.560 1.00 0.00 O ATOM 1644 CB PHE B 41 51.482 3.721 -18.294 1.00 0.00 C ATOM 1645 CG PHE B 41 50.173 3.005 -18.518 1.00 0.00 C ATOM 1646 CD1 PHE B 41 50.145 1.608 -18.581 1.00 0.00 C ATOM 1647 CD2 PHE B 41 48.990 3.738 -18.663 1.00 0.00 C ATOM 1648 CE1 PHE B 41 48.932 0.942 -18.788 1.00 0.00 C ATOM 1649 CE2 PHE B 41 47.778 3.072 -18.870 1.00 0.00 C ATOM 1650 CZ PHE B 41 47.748 1.674 -18.932 1.00 0.00 C ATOM 0 H PHE B 41 51.714 4.882 -15.854 1.00 0.00 H new ATOM 0 HA PHE B 41 51.952 2.095 -16.949 1.00 0.00 H new ATOM 0 HB2 PHE B 41 51.309 4.791 -18.178 1.00 0.00 H new ATOM 0 HB3 PHE B 41 52.131 3.595 -19.161 1.00 0.00 H new ATOM 0 HD1 PHE B 41 51.059 1.044 -18.470 1.00 0.00 H new ATOM 0 HD2 PHE B 41 49.013 4.817 -18.615 1.00 0.00 H new ATOM 0 HE1 PHE B 41 48.909 -0.137 -18.837 1.00 0.00 H new ATOM 0 HE2 PHE B 41 46.864 3.637 -18.982 1.00 0.00 H new ATOM 0 HZ PHE B 41 46.811 1.160 -19.091 1.00 0.00 H new ATOM 1660 N LEU B 42 54.312 2.547 -17.939 1.00 0.00 N ATOM 1661 CA LEU B 42 55.773 2.682 -18.125 1.00 0.00 C ATOM 1662 C LEU B 42 56.055 2.706 -19.620 1.00 0.00 C ATOM 1663 O LEU B 42 56.598 1.772 -20.175 1.00 0.00 O ATOM 1664 CB LEU B 42 56.480 1.485 -17.506 1.00 0.00 C ATOM 1665 CG LEU B 42 56.770 1.766 -16.034 1.00 0.00 C ATOM 1666 CD1 LEU B 42 57.325 0.502 -15.379 1.00 0.00 C ATOM 1667 CD2 LEU B 42 57.800 2.892 -15.921 1.00 0.00 C ATOM 0 H LEU B 42 53.881 1.784 -18.460 1.00 0.00 H new ATOM 0 HA LEU B 42 56.131 3.595 -17.649 1.00 0.00 H new ATOM 0 HB2 LEU B 42 55.859 0.594 -17.601 1.00 0.00 H new ATOM 0 HB3 LEU B 42 57.410 1.284 -18.038 1.00 0.00 H new ATOM 0 HG LEU B 42 55.850 2.065 -15.532 1.00 0.00 H new ATOM 0 HD11 LEU B 42 57.533 0.699 -14.327 1.00 0.00 H new ATOM 0 HD12 LEU B 42 56.593 -0.301 -15.460 1.00 0.00 H new ATOM 0 HD13 LEU B 42 58.245 0.206 -15.882 1.00 0.00 H new ATOM 0 HD21 LEU B 42 58.006 3.092 -14.870 1.00 0.00 H new ATOM 0 HD22 LEU B 42 58.721 2.594 -16.421 1.00 0.00 H new ATOM 0 HD23 LEU B 42 57.407 3.793 -16.391 1.00 0.00 H new ATOM 1679 N THR B 43 55.672 3.758 -20.282 1.00 0.00 N ATOM 1680 CA THR B 43 55.903 3.832 -21.746 1.00 0.00 C ATOM 1681 C THR B 43 57.372 3.524 -22.036 1.00 0.00 C ATOM 1682 O THR B 43 58.133 3.182 -21.154 1.00 0.00 O ATOM 1683 CB THR B 43 55.557 5.235 -22.252 1.00 0.00 C ATOM 1684 OG1 THR B 43 56.652 6.104 -22.004 1.00 0.00 O ATOM 1685 CG2 THR B 43 54.312 5.753 -21.526 1.00 0.00 C ATOM 0 H THR B 43 55.209 4.569 -19.872 1.00 0.00 H new ATOM 0 HA THR B 43 55.270 3.105 -22.256 1.00 0.00 H new ATOM 0 HB THR B 43 55.355 5.198 -23.323 1.00 0.00 H new ATOM 0 HG1 THR B 43 57.015 5.927 -21.111 1.00 0.00 H new ATOM 0 HG21 THR B 43 54.069 6.752 -21.889 1.00 0.00 H new ATOM 0 HG22 THR B 43 53.474 5.083 -21.718 1.00 0.00 H new ATOM 0 HG23 THR B 43 54.506 5.793 -20.454 1.00 0.00 H new ATOM 1693 N LYS B 44 57.779 3.643 -23.264 1.00 0.00 N ATOM 1694 CA LYS B 44 59.196 3.352 -23.604 1.00 0.00 C ATOM 1695 C LYS B 44 59.970 4.664 -23.726 1.00 0.00 C ATOM 1696 O LYS B 44 61.180 4.693 -23.643 1.00 0.00 O ATOM 1697 CB LYS B 44 59.252 2.587 -24.925 1.00 0.00 C ATOM 1698 CG LYS B 44 59.134 1.085 -24.649 1.00 0.00 C ATOM 1699 CD LYS B 44 57.961 0.819 -23.698 1.00 0.00 C ATOM 1700 CE LYS B 44 57.434 -0.597 -23.935 1.00 0.00 C ATOM 1701 NZ LYS B 44 58.581 -1.549 -23.992 1.00 0.00 N ATOM 0 H LYS B 44 57.193 3.929 -24.048 1.00 0.00 H new ATOM 0 HA LYS B 44 59.646 2.745 -22.819 1.00 0.00 H new ATOM 0 HB2 LYS B 44 58.444 2.912 -25.581 1.00 0.00 H new ATOM 0 HB3 LYS B 44 60.187 2.800 -25.442 1.00 0.00 H new ATOM 0 HG2 LYS B 44 58.985 0.545 -25.584 1.00 0.00 H new ATOM 0 HG3 LYS B 44 60.060 0.713 -24.211 1.00 0.00 H new ATOM 0 HD2 LYS B 44 58.283 0.932 -22.663 1.00 0.00 H new ATOM 0 HD3 LYS B 44 57.168 1.548 -23.866 1.00 0.00 H new ATOM 0 HE2 LYS B 44 56.751 -0.881 -23.135 1.00 0.00 H new ATOM 0 HE3 LYS B 44 56.868 -0.635 -24.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 58.245 -2.510 -23.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 59.000 -1.531 -24.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 59.298 -1.270 -23.293 1.00 0.00 H new ATOM 1715 N ARG B 45 59.277 5.756 -23.912 1.00 0.00 N ATOM 1716 CA ARG B 45 59.977 7.065 -24.027 1.00 0.00 C ATOM 1717 C ARG B 45 60.529 7.456 -22.652 1.00 0.00 C ATOM 1718 O ARG B 45 61.247 8.426 -22.517 1.00 0.00 O ATOM 1719 CB ARG B 45 58.991 8.133 -24.514 1.00 0.00 C ATOM 1720 CG ARG B 45 59.562 9.530 -24.249 1.00 0.00 C ATOM 1721 CD ARG B 45 60.911 9.678 -24.955 1.00 0.00 C ATOM 1722 NE ARG B 45 60.721 10.398 -26.246 1.00 0.00 N ATOM 1723 CZ ARG B 45 61.024 11.664 -26.335 1.00 0.00 C ATOM 1724 NH1 ARG B 45 62.088 12.123 -25.734 1.00 0.00 N ATOM 1725 NH2 ARG B 45 60.264 12.471 -27.023 1.00 0.00 N ATOM 0 H ARG B 45 58.261 5.797 -23.989 1.00 0.00 H new ATOM 0 HA ARG B 45 60.796 6.986 -24.742 1.00 0.00 H new ATOM 0 HB2 ARG B 45 58.800 8.005 -25.579 1.00 0.00 H new ATOM 0 HB3 ARG B 45 58.035 8.018 -24.003 1.00 0.00 H new ATOM 0 HG2 ARG B 45 58.868 10.291 -24.607 1.00 0.00 H new ATOM 0 HG3 ARG B 45 59.682 9.687 -23.177 1.00 0.00 H new ATOM 0 HD2 ARG B 45 61.607 10.226 -24.320 1.00 0.00 H new ATOM 0 HD3 ARG B 45 61.349 8.696 -25.135 1.00 0.00 H new ATOM 0 HE ARG B 45 60.355 9.902 -27.059 1.00 0.00 H new ATOM 0 HH11 ARG B 45 62.682 11.492 -25.195 1.00 0.00 H new ATOM 0 HH12 ARG B 45 62.326 13.112 -25.803 1.00 0.00 H new ATOM 0 HH21 ARG B 45 59.432 12.112 -27.492 1.00 0.00 H new ATOM 0 HH22 ARG B 45 60.502 13.461 -27.092 1.00 0.00 H new ATOM 1739 N SER B 46 60.194 6.705 -21.634 1.00 0.00 N ATOM 1740 CA SER B 46 60.691 7.021 -20.266 1.00 0.00 C ATOM 1741 C SER B 46 59.846 8.145 -19.664 1.00 0.00 C ATOM 1742 O SER B 46 60.359 9.070 -19.067 1.00 0.00 O ATOM 1743 CB SER B 46 62.154 7.461 -20.338 1.00 0.00 C ATOM 1744 OG SER B 46 62.904 6.754 -19.359 1.00 0.00 O ATOM 0 H SER B 46 59.594 5.882 -21.695 1.00 0.00 H new ATOM 0 HA SER B 46 60.614 6.133 -19.639 1.00 0.00 H new ATOM 0 HB2 SER B 46 62.556 7.266 -21.332 1.00 0.00 H new ATOM 0 HB3 SER B 46 62.232 8.535 -20.168 1.00 0.00 H new ATOM 0 HG SER B 46 63.843 7.032 -19.403 1.00 0.00 H new ATOM 1750 N ARG B 47 58.552 8.068 -19.813 1.00 0.00 N ATOM 1751 CA ARG B 47 57.677 9.134 -19.242 1.00 0.00 C ATOM 1752 C ARG B 47 56.875 8.556 -18.073 1.00 0.00 C ATOM 1753 O ARG B 47 56.809 9.138 -17.011 1.00 0.00 O ATOM 1754 CB ARG B 47 56.719 9.660 -20.319 1.00 0.00 C ATOM 1755 CG ARG B 47 56.460 8.572 -21.363 1.00 0.00 C ATOM 1756 CD ARG B 47 55.651 9.154 -22.522 1.00 0.00 C ATOM 1757 NE ARG B 47 54.288 9.516 -22.045 1.00 0.00 N ATOM 1758 CZ ARG B 47 53.857 10.740 -22.177 1.00 0.00 C ATOM 1759 NH1 ARG B 47 54.669 11.740 -21.975 1.00 0.00 N ATOM 1760 NH2 ARG B 47 52.616 10.962 -22.512 1.00 0.00 N ATOM 0 H ARG B 47 58.064 7.318 -20.302 1.00 0.00 H new ATOM 0 HA ARG B 47 58.296 9.959 -18.889 1.00 0.00 H new ATOM 0 HB2 ARG B 47 55.779 9.969 -19.862 1.00 0.00 H new ATOM 0 HB3 ARG B 47 57.145 10.541 -20.798 1.00 0.00 H new ATOM 0 HG2 ARG B 47 57.406 8.174 -21.730 1.00 0.00 H new ATOM 0 HG3 ARG B 47 55.919 7.741 -20.910 1.00 0.00 H new ATOM 0 HD2 ARG B 47 56.153 10.034 -22.924 1.00 0.00 H new ATOM 0 HD3 ARG B 47 55.583 8.428 -23.332 1.00 0.00 H new ATOM 0 HE ARG B 47 53.692 8.808 -21.616 1.00 0.00 H new ATOM 0 HH11 ARG B 47 55.639 11.564 -21.714 1.00 0.00 H new ATOM 0 HH12 ARG B 47 54.334 12.698 -22.078 1.00 0.00 H new ATOM 0 HH21 ARG B 47 51.983 10.178 -22.671 1.00 0.00 H new ATOM 0 HH22 ARG B 47 52.279 11.919 -22.615 1.00 0.00 H new ATOM 1774 N GLN B 48 56.276 7.413 -18.268 1.00 0.00 N ATOM 1775 CA GLN B 48 55.475 6.765 -17.182 1.00 0.00 C ATOM 1776 C GLN B 48 54.366 7.712 -16.698 1.00 0.00 C ATOM 1777 O GLN B 48 54.614 8.841 -16.329 1.00 0.00 O ATOM 1778 CB GLN B 48 56.413 6.350 -16.024 1.00 0.00 C ATOM 1779 CG GLN B 48 56.343 7.335 -14.844 1.00 0.00 C ATOM 1780 CD GLN B 48 55.144 6.994 -13.957 1.00 0.00 C ATOM 1781 OE1 GLN B 48 55.042 5.894 -13.455 1.00 0.00 O ATOM 1782 NE2 GLN B 48 54.227 7.899 -13.737 1.00 0.00 N ATOM 0 H GLN B 48 56.306 6.891 -19.144 1.00 0.00 H new ATOM 0 HA GLN B 48 54.993 5.868 -17.570 1.00 0.00 H new ATOM 0 HB2 GLN B 48 56.144 5.352 -15.679 1.00 0.00 H new ATOM 0 HB3 GLN B 48 57.438 6.295 -16.390 1.00 0.00 H new ATOM 0 HG2 GLN B 48 57.263 7.286 -14.262 1.00 0.00 H new ATOM 0 HG3 GLN B 48 56.254 8.356 -15.215 1.00 0.00 H new ATOM 0 HE21 GLN B 48 54.312 8.824 -14.158 1.00 0.00 H new ATOM 0 HE22 GLN B 48 53.427 7.680 -13.144 1.00 0.00 H new ATOM 1791 N VAL B 49 53.139 7.259 -16.708 1.00 0.00 N ATOM 1792 CA VAL B 49 52.022 8.137 -16.254 1.00 0.00 C ATOM 1793 C VAL B 49 50.724 7.338 -16.147 1.00 0.00 C ATOM 1794 O VAL B 49 50.329 6.655 -17.072 1.00 0.00 O ATOM 1795 CB VAL B 49 51.808 9.261 -17.265 1.00 0.00 C ATOM 1796 CG1 VAL B 49 52.710 10.445 -16.923 1.00 0.00 C ATOM 1797 CG2 VAL B 49 52.138 8.749 -18.667 1.00 0.00 C ATOM 0 H VAL B 49 52.864 6.324 -17.009 1.00 0.00 H new ATOM 0 HA VAL B 49 52.284 8.546 -15.278 1.00 0.00 H new ATOM 0 HB VAL B 49 50.768 9.586 -17.231 1.00 0.00 H new ATOM 0 HG11 VAL B 49 52.553 11.244 -17.648 1.00 0.00 H new ATOM 0 HG12 VAL B 49 52.469 10.809 -15.924 1.00 0.00 H new ATOM 0 HG13 VAL B 49 53.753 10.129 -16.952 1.00 0.00 H new ATOM 0 HG21 VAL B 49 51.986 9.549 -19.392 1.00 0.00 H new ATOM 0 HG22 VAL B 49 53.177 8.422 -18.700 1.00 0.00 H new ATOM 0 HG23 VAL B 49 51.486 7.910 -18.911 1.00 0.00 H new ATOM 1807 N CYS B 50 50.046 7.435 -15.038 1.00 0.00 N ATOM 1808 CA CYS B 50 48.769 6.713 -14.883 1.00 0.00 C ATOM 1809 C CYS B 50 47.879 7.028 -16.078 1.00 0.00 C ATOM 1810 O CYS B 50 48.277 7.713 -16.995 1.00 0.00 O ATOM 1811 CB CYS B 50 48.079 7.159 -13.592 1.00 0.00 C ATOM 1812 SG CYS B 50 49.209 6.941 -12.194 1.00 0.00 S ATOM 0 H CYS B 50 50.330 7.990 -14.230 1.00 0.00 H new ATOM 0 HA CYS B 50 48.953 5.640 -14.833 1.00 0.00 H new ATOM 0 HB2 CYS B 50 47.778 8.204 -13.670 1.00 0.00 H new ATOM 0 HB3 CYS B 50 47.171 6.577 -13.433 1.00 0.00 H new ATOM 1817 N ALA B 51 46.682 6.527 -16.075 1.00 0.00 N ATOM 1818 CA ALA B 51 45.760 6.794 -17.216 1.00 0.00 C ATOM 1819 C ALA B 51 44.331 6.923 -16.695 1.00 0.00 C ATOM 1820 O ALA B 51 43.797 8.006 -16.551 1.00 0.00 O ATOM 1821 CB ALA B 51 45.835 5.630 -18.206 1.00 0.00 C ATOM 0 H ALA B 51 46.297 5.943 -15.333 1.00 0.00 H new ATOM 0 HA ALA B 51 46.051 7.719 -17.713 1.00 0.00 H new ATOM 0 HB1 ALA B 51 45.163 5.820 -19.043 1.00 0.00 H new ATOM 0 HB2 ALA B 51 46.856 5.532 -18.576 1.00 0.00 H new ATOM 0 HB3 ALA B 51 45.540 4.707 -17.706 1.00 0.00 H new ATOM 1827 N ASP B 52 43.718 5.815 -16.415 1.00 0.00 N ATOM 1828 CA ASP B 52 42.317 5.818 -15.900 1.00 0.00 C ATOM 1829 C ASP B 52 41.811 4.374 -15.833 1.00 0.00 C ATOM 1830 O ASP B 52 42.151 3.565 -16.673 1.00 0.00 O ATOM 1831 CB ASP B 52 41.417 6.622 -16.850 1.00 0.00 C ATOM 1832 CG ASP B 52 40.399 7.426 -16.039 1.00 0.00 C ATOM 1833 OD1 ASP B 52 40.762 7.901 -14.975 1.00 0.00 O ATOM 1834 OD2 ASP B 52 39.275 7.553 -16.495 1.00 0.00 O ATOM 0 H ASP B 52 44.131 4.888 -16.521 1.00 0.00 H new ATOM 0 HA ASP B 52 42.293 6.272 -14.909 1.00 0.00 H new ATOM 0 HB2 ASP B 52 42.023 7.293 -17.459 1.00 0.00 H new ATOM 0 HB3 ASP B 52 40.901 5.949 -17.534 1.00 0.00 H new ATOM 1839 N PRO B 53 40.999 4.093 -14.846 1.00 0.00 N ATOM 1840 CA PRO B 53 40.421 2.752 -14.668 1.00 0.00 C ATOM 1841 C PRO B 53 39.330 2.527 -15.715 1.00 0.00 C ATOM 1842 O PRO B 53 38.761 1.458 -15.820 1.00 0.00 O ATOM 1843 CB PRO B 53 39.841 2.789 -13.251 1.00 0.00 C ATOM 1844 CG PRO B 53 39.624 4.283 -12.914 1.00 0.00 C ATOM 1845 CD PRO B 53 40.577 5.077 -13.829 1.00 0.00 C ATOM 0 HA PRO B 53 41.140 1.942 -14.791 1.00 0.00 H new ATOM 0 HB2 PRO B 53 38.902 2.238 -13.200 1.00 0.00 H new ATOM 0 HB3 PRO B 53 40.523 2.324 -12.539 1.00 0.00 H new ATOM 0 HG2 PRO B 53 38.588 4.574 -13.086 1.00 0.00 H new ATOM 0 HG3 PRO B 53 39.840 4.480 -11.864 1.00 0.00 H new ATOM 0 HD2 PRO B 53 40.074 5.931 -14.284 1.00 0.00 H new ATOM 0 HD3 PRO B 53 41.430 5.468 -13.274 1.00 0.00 H new ATOM 1853 N SER B 54 39.044 3.533 -16.496 1.00 0.00 N ATOM 1854 CA SER B 54 38.004 3.395 -17.546 1.00 0.00 C ATOM 1855 C SER B 54 38.675 3.445 -18.919 1.00 0.00 C ATOM 1856 O SER B 54 38.067 3.139 -19.926 1.00 0.00 O ATOM 1857 CB SER B 54 37.005 4.547 -17.428 1.00 0.00 C ATOM 1858 OG SER B 54 35.693 4.058 -17.677 1.00 0.00 O ATOM 0 H SER B 54 39.491 4.449 -16.449 1.00 0.00 H new ATOM 0 HA SER B 54 37.480 2.447 -17.424 1.00 0.00 H new ATOM 0 HB2 SER B 54 37.058 4.989 -16.433 1.00 0.00 H new ATOM 0 HB3 SER B 54 37.254 5.334 -18.140 1.00 0.00 H new ATOM 0 HG SER B 54 35.050 4.793 -17.601 1.00 0.00 H new ATOM 1864 N GLU B 55 39.925 3.828 -18.973 1.00 0.00 N ATOM 1865 CA GLU B 55 40.610 3.890 -20.293 1.00 0.00 C ATOM 1866 C GLU B 55 40.389 2.597 -21.030 1.00 0.00 C ATOM 1867 O GLU B 55 41.077 1.617 -20.838 1.00 0.00 O ATOM 1868 CB GLU B 55 42.115 4.109 -20.134 1.00 0.00 C ATOM 1869 CG GLU B 55 42.414 5.456 -19.469 1.00 0.00 C ATOM 1870 CD GLU B 55 41.347 6.493 -19.847 1.00 0.00 C ATOM 1871 OE1 GLU B 55 40.203 6.303 -19.467 1.00 0.00 O ATOM 1872 OE2 GLU B 55 41.694 7.454 -20.513 1.00 0.00 O ATOM 0 H GLU B 55 40.493 4.097 -18.169 1.00 0.00 H new ATOM 0 HA GLU B 55 40.192 4.730 -20.848 1.00 0.00 H new ATOM 0 HB2 GLU B 55 42.541 3.303 -19.536 1.00 0.00 H new ATOM 0 HB3 GLU B 55 42.596 4.069 -21.111 1.00 0.00 H new ATOM 0 HG2 GLU B 55 42.444 5.335 -18.386 1.00 0.00 H new ATOM 0 HG3 GLU B 55 43.398 5.810 -19.777 1.00 0.00 H new ATOM 1879 N GLU B 56 39.439 2.620 -21.892 1.00 0.00 N ATOM 1880 CA GLU B 56 39.126 1.432 -22.719 1.00 0.00 C ATOM 1881 C GLU B 56 40.432 0.736 -23.118 1.00 0.00 C ATOM 1882 O GLU B 56 40.613 -0.448 -22.919 1.00 0.00 O ATOM 1883 CB GLU B 56 38.402 1.937 -23.958 1.00 0.00 C ATOM 1884 CG GLU B 56 38.243 0.808 -24.979 1.00 0.00 C ATOM 1885 CD GLU B 56 38.448 1.360 -26.390 1.00 0.00 C ATOM 1886 OE1 GLU B 56 38.828 2.515 -26.503 1.00 0.00 O ATOM 1887 OE2 GLU B 56 38.222 0.622 -27.334 1.00 0.00 O ATOM 0 H GLU B 56 38.845 3.430 -22.069 1.00 0.00 H new ATOM 0 HA GLU B 56 38.508 0.717 -22.176 1.00 0.00 H new ATOM 0 HB2 GLU B 56 37.422 2.327 -23.681 1.00 0.00 H new ATOM 0 HB3 GLU B 56 38.959 2.762 -24.402 1.00 0.00 H new ATOM 0 HG2 GLU B 56 38.966 0.018 -24.778 1.00 0.00 H new ATOM 0 HG3 GLU B 56 37.252 0.362 -24.892 1.00 0.00 H new ATOM 1894 N TRP B 57 41.338 1.482 -23.679 1.00 0.00 N ATOM 1895 CA TRP B 57 42.647 0.921 -24.105 1.00 0.00 C ATOM 1896 C TRP B 57 43.401 0.323 -22.912 1.00 0.00 C ATOM 1897 O TRP B 57 43.977 -0.742 -23.012 1.00 0.00 O ATOM 1898 CB TRP B 57 43.476 2.035 -24.751 1.00 0.00 C ATOM 1899 CG TRP B 57 43.466 3.294 -23.921 1.00 0.00 C ATOM 1900 CD1 TRP B 57 42.474 4.215 -23.900 1.00 0.00 C ATOM 1901 CD2 TRP B 57 44.495 3.801 -23.029 1.00 0.00 C ATOM 1902 NE1 TRP B 57 42.835 5.249 -23.062 1.00 0.00 N ATOM 1903 CE2 TRP B 57 44.075 5.041 -22.503 1.00 0.00 C ATOM 1904 CE3 TRP B 57 45.736 3.306 -22.635 1.00 0.00 C ATOM 1905 CZ2 TRP B 57 44.866 5.767 -21.617 1.00 0.00 C ATOM 1906 CZ3 TRP B 57 46.544 4.028 -21.742 1.00 0.00 C ATOM 1907 CH2 TRP B 57 46.111 5.260 -21.236 1.00 0.00 C ATOM 0 H TRP B 57 41.224 2.479 -23.864 1.00 0.00 H new ATOM 0 HA TRP B 57 42.476 0.121 -24.825 1.00 0.00 H new ATOM 0 HB2 TRP B 57 44.503 1.694 -24.882 1.00 0.00 H new ATOM 0 HB3 TRP B 57 43.083 2.251 -25.744 1.00 0.00 H new ATOM 0 HD1 TRP B 57 41.548 4.150 -24.452 1.00 0.00 H new ATOM 0 HE1 TRP B 57 42.254 6.067 -22.879 1.00 0.00 H new ATOM 0 HE3 TRP B 57 46.080 2.358 -23.020 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 44.521 6.713 -21.228 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 47.503 3.632 -21.444 1.00 0.00 H new ATOM 0 HH2 TRP B 57 46.737 5.816 -20.554 1.00 0.00 H new ATOM 1918 N VAL B 58 43.417 0.986 -21.792 1.00 0.00 N ATOM 1919 CA VAL B 58 44.154 0.426 -20.620 1.00 0.00 C ATOM 1920 C VAL B 58 43.567 -0.929 -20.225 1.00 0.00 C ATOM 1921 O VAL B 58 44.271 -1.910 -20.143 1.00 0.00 O ATOM 1922 CB VAL B 58 44.047 1.372 -19.434 1.00 0.00 C ATOM 1923 CG1 VAL B 58 44.702 0.715 -18.219 1.00 0.00 C ATOM 1924 CG2 VAL B 58 44.768 2.680 -19.764 1.00 0.00 C ATOM 0 H VAL B 58 42.958 1.883 -21.634 1.00 0.00 H new ATOM 0 HA VAL B 58 45.200 0.304 -20.900 1.00 0.00 H new ATOM 0 HB VAL B 58 43.000 1.584 -19.217 1.00 0.00 H new ATOM 0 HG11 VAL B 58 44.632 1.384 -17.361 1.00 0.00 H new ATOM 0 HG12 VAL B 58 44.191 -0.221 -17.992 1.00 0.00 H new ATOM 0 HG13 VAL B 58 45.751 0.513 -18.436 1.00 0.00 H new ATOM 0 HG21 VAL B 58 44.693 3.361 -18.916 1.00 0.00 H new ATOM 0 HG22 VAL B 58 45.818 2.474 -19.973 1.00 0.00 H new ATOM 0 HG23 VAL B 58 44.307 3.139 -20.639 1.00 0.00 H new ATOM 1934 N GLN B 59 42.285 -0.984 -19.970 1.00 0.00 N ATOM 1935 CA GLN B 59 41.644 -2.275 -19.573 1.00 0.00 C ATOM 1936 C GLN B 59 42.273 -3.419 -20.360 1.00 0.00 C ATOM 1937 O GLN B 59 42.424 -4.522 -19.874 1.00 0.00 O ATOM 1938 CB GLN B 59 40.159 -2.212 -19.908 1.00 0.00 C ATOM 1939 CG GLN B 59 39.447 -1.298 -18.908 1.00 0.00 C ATOM 1940 CD GLN B 59 38.521 -2.134 -18.023 1.00 0.00 C ATOM 1941 OE1 GLN B 59 37.315 -2.045 -18.132 1.00 0.00 O ATOM 1942 NE2 GLN B 59 39.040 -2.948 -17.145 1.00 0.00 N ATOM 0 H GLN B 59 41.651 -0.187 -20.020 1.00 0.00 H new ATOM 0 HA GLN B 59 41.786 -2.440 -18.505 1.00 0.00 H new ATOM 0 HB2 GLN B 59 40.020 -1.837 -20.922 1.00 0.00 H new ATOM 0 HB3 GLN B 59 39.726 -3.212 -19.875 1.00 0.00 H new ATOM 0 HG2 GLN B 59 40.179 -0.773 -18.294 1.00 0.00 H new ATOM 0 HG3 GLN B 59 38.873 -0.538 -19.438 1.00 0.00 H new ATOM 0 HE21 GLN B 59 40.053 -3.022 -17.054 1.00 0.00 H new ATOM 0 HE22 GLN B 59 38.432 -3.510 -16.549 1.00 0.00 H new ATOM 1951 N LYS B 60 42.644 -3.152 -21.576 1.00 0.00 N ATOM 1952 CA LYS B 60 43.271 -4.201 -22.420 1.00 0.00 C ATOM 1953 C LYS B 60 44.686 -4.466 -21.910 1.00 0.00 C ATOM 1954 O LYS B 60 45.090 -5.596 -21.722 1.00 0.00 O ATOM 1955 CB LYS B 60 43.323 -3.702 -23.874 1.00 0.00 C ATOM 1956 CG LYS B 60 44.334 -4.513 -24.695 1.00 0.00 C ATOM 1957 CD LYS B 60 43.587 -5.391 -25.700 1.00 0.00 C ATOM 1958 CE LYS B 60 43.909 -6.859 -25.423 1.00 0.00 C ATOM 1959 NZ LYS B 60 45.328 -7.132 -25.788 1.00 0.00 N ATOM 0 H LYS B 60 42.539 -2.243 -22.026 1.00 0.00 H new ATOM 0 HA LYS B 60 42.692 -5.123 -22.374 1.00 0.00 H new ATOM 0 HB2 LYS B 60 42.334 -3.782 -24.326 1.00 0.00 H new ATOM 0 HB3 LYS B 60 43.597 -2.647 -23.891 1.00 0.00 H new ATOM 0 HG2 LYS B 60 45.015 -3.842 -25.218 1.00 0.00 H new ATOM 0 HG3 LYS B 60 44.941 -5.133 -24.035 1.00 0.00 H new ATOM 0 HD2 LYS B 60 42.513 -5.221 -25.622 1.00 0.00 H new ATOM 0 HD3 LYS B 60 43.878 -5.128 -26.717 1.00 0.00 H new ATOM 0 HE2 LYS B 60 43.743 -7.087 -24.370 1.00 0.00 H new ATOM 0 HE3 LYS B 60 43.244 -7.503 -25.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 45.472 -8.158 -25.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 45.549 -6.670 -26.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 45.955 -6.758 -25.047 1.00 0.00 H new ATOM 1973 N TYR B 61 45.454 -3.432 -21.724 1.00 0.00 N ATOM 1974 CA TYR B 61 46.864 -3.622 -21.267 1.00 0.00 C ATOM 1975 C TYR B 61 46.909 -4.378 -19.936 1.00 0.00 C ATOM 1976 O TYR B 61 47.745 -5.233 -19.732 1.00 0.00 O ATOM 1977 CB TYR B 61 47.548 -2.261 -21.116 1.00 0.00 C ATOM 1978 CG TYR B 61 47.322 -1.429 -22.342 1.00 0.00 C ATOM 1979 CD1 TYR B 61 46.723 -1.971 -23.483 1.00 0.00 C ATOM 1980 CD2 TYR B 61 47.698 -0.094 -22.322 1.00 0.00 C ATOM 1981 CE1 TYR B 61 46.503 -1.176 -24.593 1.00 0.00 C ATOM 1982 CE2 TYR B 61 47.484 0.700 -23.437 1.00 0.00 C ATOM 1983 CZ TYR B 61 46.884 0.167 -24.579 1.00 0.00 C ATOM 1984 OH TYR B 61 46.666 0.963 -25.686 1.00 0.00 O ATOM 0 H TYR B 61 45.171 -2.463 -21.867 1.00 0.00 H new ATOM 0 HA TYR B 61 47.392 -4.213 -22.015 1.00 0.00 H new ATOM 0 HB2 TYR B 61 47.156 -1.744 -20.240 1.00 0.00 H new ATOM 0 HB3 TYR B 61 48.617 -2.399 -20.953 1.00 0.00 H new ATOM 0 HD1 TYR B 61 46.432 -3.011 -23.498 1.00 0.00 H new ATOM 0 HD2 TYR B 61 48.157 0.326 -21.439 1.00 0.00 H new ATOM 0 HE1 TYR B 61 46.036 -1.595 -25.472 1.00 0.00 H new ATOM 0 HE2 TYR B 61 47.783 1.738 -23.422 1.00 0.00 H new ATOM 0 HH TYR B 61 46.871 1.895 -25.464 1.00 0.00 H new ATOM 1994 N VAL B 62 46.022 -4.083 -19.030 1.00 0.00 N ATOM 1995 CA VAL B 62 46.030 -4.799 -17.727 1.00 0.00 C ATOM 1996 C VAL B 62 45.471 -6.202 -17.935 1.00 0.00 C ATOM 1997 O VAL B 62 45.650 -7.083 -17.117 1.00 0.00 O ATOM 1998 CB VAL B 62 45.155 -4.042 -16.727 1.00 0.00 C ATOM 1999 CG1 VAL B 62 45.014 -4.864 -15.445 1.00 0.00 C ATOM 2000 CG2 VAL B 62 45.808 -2.697 -16.401 1.00 0.00 C ATOM 0 H VAL B 62 45.293 -3.378 -19.135 1.00 0.00 H new ATOM 0 HA VAL B 62 47.047 -4.860 -17.340 1.00 0.00 H new ATOM 0 HB VAL B 62 44.168 -3.875 -17.159 1.00 0.00 H new ATOM 0 HG11 VAL B 62 44.390 -4.324 -14.733 1.00 0.00 H new ATOM 0 HG12 VAL B 62 44.552 -5.824 -15.677 1.00 0.00 H new ATOM 0 HG13 VAL B 62 45.999 -5.032 -15.010 1.00 0.00 H new ATOM 0 HG21 VAL B 62 45.187 -2.154 -15.688 1.00 0.00 H new ATOM 0 HG22 VAL B 62 46.794 -2.867 -15.968 1.00 0.00 H new ATOM 0 HG23 VAL B 62 45.909 -2.111 -17.314 1.00 0.00 H new ATOM 2010 N SER B 63 44.793 -6.414 -19.028 1.00 0.00 N ATOM 2011 CA SER B 63 44.218 -7.758 -19.297 1.00 0.00 C ATOM 2012 C SER B 63 45.235 -8.608 -20.062 1.00 0.00 C ATOM 2013 O SER B 63 44.896 -9.306 -20.997 1.00 0.00 O ATOM 2014 CB SER B 63 42.945 -7.608 -20.129 1.00 0.00 C ATOM 2015 OG SER B 63 43.294 -7.464 -21.499 1.00 0.00 O ATOM 0 H SER B 63 44.613 -5.713 -19.747 1.00 0.00 H new ATOM 0 HA SER B 63 43.979 -8.247 -18.353 1.00 0.00 H new ATOM 0 HB2 SER B 63 42.304 -8.479 -19.995 1.00 0.00 H new ATOM 0 HB3 SER B 63 42.377 -6.740 -19.793 1.00 0.00 H new ATOM 0 HG SER B 63 44.067 -6.867 -21.579 1.00 0.00 H new