USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 GLN : amide:sc= -0.011 X(o=-3.1,f=-3.2) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 179:sc= -3.13 (180deg=-3.14) USER MOD Single : A 1 ASP N :NH3+ -165:sc= -0.075 (180deg=-0.331) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= 0.601 (180deg=-0.181) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0591 (180deg=-0.1) USER MOD Single : A 10 LYS NZ :NH3+ -128:sc= -0.0144 (180deg=-0.123) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -69:sc= -0.914 USER MOD Single : A 32 TYR OH : rot -75:sc= 0.51 USER MOD Single : A 33 ASN : amide:sc= -0.147 K(o=-0.15,f=-6.2!) USER MOD Single : A 34 ASN : amide:sc= -0.38 K(o=-0.38,f=-1.6!) USER MOD Single : A 35 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.0086) USER MOD Single : A 36 THR OG1 : rot 133:sc= 0.958 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -14:sc= 0.9 USER MOD Single : A 50 ASN : amide:sc= -8.04! C(o=-8!,f=-13!) USER MOD Single : A 51 MET CE :methyl 170:sc= -0.787 (180deg=-1.26) USER MOD Single : A 52 ASN : amide:sc= -4.86! C(o=-4.9!,f=-14!) USER MOD Single : A 53 ASN : amide:sc= -1.97! C(o=-2!,f=-6.1!) USER MOD Single : A 56 THR OG1 : rot 176:sc= -1.47! USER MOD Single : A 62 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.6!) USER MOD Single : A 69 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 1.159 -0.046 -2.426 1.00 1.00 C ATOM 4 O ASP A 1 1.538 0.436 -3.504 1.00 1.00 O ATOM 5 CB ASP A 1 3.029 -1.225 -1.311 1.00 1.00 C ATOM 6 CG ASP A 1 3.482 -1.604 -2.722 1.00 1.00 C ATOM 7 OD1 ASP A 1 2.555 -2.080 -3.483 1.00 1.00 O ATOM 8 OD2 ASP A 1 4.661 -1.452 -3.076 1.00 1.00 O ATOM 0 H1 ASP A 1 1.957 0.284 0.792 1.00 1.00 H new ATOM 0 H2 ASP A 1 0.555 0.671 -0.085 1.00 1.00 H new ATOM 0 H3 ASP A 1 0.972 -0.955 0.176 1.00 1.00 H new ATOM 0 HA ASP A 1 2.722 0.905 -1.250 1.00 1.00 H new ATOM 0 HB2 ASP A 1 3.912 -1.041 -0.699 1.00 1.00 H new ATOM 0 HB3 ASP A 1 2.509 -2.076 -0.872 1.00 1.00 H new ATOM 13 N TYR A 2 -0.041 -0.614 -2.215 1.00 1.00 N ATOM 14 CA TYR A 2 -0.993 -0.693 -3.309 1.00 1.00 C ATOM 15 C TYR A 2 -1.257 0.713 -3.852 1.00 1.00 C ATOM 16 O TYR A 2 -1.626 1.586 -3.053 1.00 1.00 O ATOM 17 CB TYR A 2 -2.287 -1.374 -2.828 1.00 1.00 C ATOM 18 CG TYR A 2 -2.972 -2.241 -3.875 1.00 1.00 C ATOM 19 CD1 TYR A 2 -2.213 -3.111 -4.692 1.00 1.00 C ATOM 20 CD2 TYR A 2 -4.375 -2.176 -4.039 1.00 1.00 C ATOM 21 CE1 TYR A 2 -2.852 -3.911 -5.663 1.00 1.00 C ATOM 22 CE2 TYR A 2 -5.014 -2.976 -5.010 1.00 1.00 C ATOM 23 CZ TYR A 2 -4.254 -3.844 -5.823 1.00 1.00 C ATOM 24 OH TYR A 2 -4.876 -4.617 -6.761 1.00 1.00 O ATOM 0 H TYR A 2 -0.356 -1.008 -1.329 1.00 1.00 H new ATOM 0 HA TYR A 2 -0.585 -1.298 -4.119 1.00 1.00 H new ATOM 0 HB2 TYR A 2 -2.057 -1.990 -1.959 1.00 1.00 H new ATOM 0 HB3 TYR A 2 -2.986 -0.605 -2.498 1.00 1.00 H new ATOM 0 HD1 TYR A 2 -1.141 -3.163 -4.572 1.00 1.00 H new ATOM 0 HD2 TYR A 2 -4.959 -1.512 -3.419 1.00 1.00 H new ATOM 0 HE1 TYR A 2 -2.269 -4.575 -6.284 1.00 1.00 H new ATOM 0 HE2 TYR A 2 -6.086 -2.924 -5.131 1.00 1.00 H new ATOM 0 HH TYR A 2 -5.841 -4.448 -6.737 1.00 1.00 H new ATOM 34 N LYS A 3 -1.059 0.905 -5.169 1.00 1.00 N ATOM 35 CA LYS A 3 -1.266 2.199 -5.797 1.00 1.00 C ATOM 36 C LYS A 3 -0.503 3.269 -5.014 1.00 1.00 C ATOM 37 O LYS A 3 0.141 2.921 -4.014 1.00 1.00 O ATOM 38 CB LYS A 3 -2.761 2.491 -5.941 1.00 1.00 C ATOM 39 CG LYS A 3 -3.404 2.746 -4.576 1.00 1.00 C ATOM 40 CD LYS A 3 -4.722 3.509 -4.725 1.00 1.00 C ATOM 41 CE LYS A 3 -4.468 4.988 -5.023 1.00 1.00 C ATOM 42 NZ LYS A 3 -4.063 5.699 -3.800 1.00 1.00 N ATOM 0 H LYS A 3 -0.755 0.172 -5.810 1.00 1.00 H new ATOM 0 HA LYS A 3 -0.865 2.199 -6.811 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -2.905 3.360 -6.583 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -3.254 1.650 -6.428 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -3.584 1.797 -4.072 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -2.719 3.315 -3.948 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -5.313 3.069 -5.528 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.307 3.414 -3.810 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -3.690 5.084 -5.781 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -5.370 5.442 -5.433 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -3.369 6.435 -4.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -4.897 6.139 -3.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -3.636 5.026 -3.132 1.00 1.00 H new ATOM 56 N ASP A 4 -0.588 4.529 -5.477 1.00 1.00 N ATOM 57 CA ASP A 4 0.090 5.637 -4.824 1.00 1.00 C ATOM 58 C ASP A 4 -0.832 6.857 -4.812 1.00 1.00 C ATOM 59 O ASP A 4 -1.879 6.813 -5.475 1.00 1.00 O ATOM 60 CB ASP A 4 1.368 6.018 -5.573 1.00 1.00 C ATOM 61 CG ASP A 4 1.962 4.910 -6.445 1.00 1.00 C ATOM 62 OD1 ASP A 4 1.361 4.722 -7.571 1.00 1.00 O ATOM 63 OD2 ASP A 4 2.948 4.260 -6.069 1.00 1.00 O ATOM 0 H ASP A 4 -1.124 4.794 -6.304 1.00 1.00 H new ATOM 0 HA ASP A 4 0.344 5.327 -3.810 1.00 1.00 H new ATOM 0 HB2 ASP A 4 1.158 6.882 -6.203 1.00 1.00 H new ATOM 0 HB3 ASP A 4 2.118 6.329 -4.846 1.00 1.00 H new ATOM 68 N ASP A 5 -0.433 7.906 -4.070 1.00 1.00 N ATOM 69 CA ASP A 5 -1.218 9.125 -3.974 1.00 1.00 C ATOM 70 C ASP A 5 -2.426 8.878 -3.068 1.00 1.00 C ATOM 71 O ASP A 5 -2.820 7.713 -2.913 1.00 1.00 O ATOM 72 CB ASP A 5 -1.737 9.555 -5.347 1.00 1.00 C ATOM 73 CG ASP A 5 -1.754 11.066 -5.588 1.00 1.00 C ATOM 74 OD1 ASP A 5 -2.750 11.692 -5.060 1.00 1.00 O ATOM 75 OD2 ASP A 5 -0.859 11.617 -6.247 1.00 1.00 O ATOM 0 H ASP A 5 0.433 7.922 -3.531 1.00 1.00 H new ATOM 0 HA ASP A 5 -0.577 9.908 -3.569 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -1.121 9.087 -6.115 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -2.749 9.171 -5.473 1.00 1.00 H new ATOM 80 N ASP A 6 -2.981 9.962 -2.497 1.00 1.00 N ATOM 81 CA ASP A 6 -4.133 9.864 -1.615 1.00 1.00 C ATOM 82 C ASP A 6 -5.385 10.322 -2.366 1.00 1.00 C ATOM 83 O ASP A 6 -6.480 9.849 -2.030 1.00 1.00 O ATOM 84 CB ASP A 6 -3.964 10.759 -0.387 1.00 1.00 C ATOM 85 CG ASP A 6 -3.390 12.149 -0.673 1.00 1.00 C ATOM 86 OD1 ASP A 6 -3.143 12.391 -1.915 1.00 1.00 O ATOM 87 OD2 ASP A 6 -3.191 12.959 0.245 1.00 1.00 O ATOM 0 H ASP A 6 -2.641 10.913 -2.638 1.00 1.00 H new ATOM 0 HA ASP A 6 -4.225 8.826 -1.294 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -4.935 10.875 0.095 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -3.313 10.253 0.326 1.00 1.00 H new ATOM 92 N ASP A 7 -5.201 11.220 -3.351 1.00 1.00 N ATOM 93 CA ASP A 7 -6.308 11.735 -4.139 1.00 1.00 C ATOM 94 C ASP A 7 -5.779 12.758 -5.146 1.00 1.00 C ATOM 95 O ASP A 7 -5.552 12.381 -6.306 1.00 1.00 O ATOM 96 CB ASP A 7 -7.338 12.435 -3.251 1.00 1.00 C ATOM 97 CG ASP A 7 -6.805 12.922 -1.902 1.00 1.00 C ATOM 98 OD1 ASP A 7 -5.555 13.241 -1.893 1.00 1.00 O ATOM 99 OD2 ASP A 7 -7.545 12.993 -0.910 1.00 1.00 O ATOM 0 H ASP A 7 -4.290 11.597 -3.612 1.00 1.00 H new ATOM 0 HA ASP A 7 -6.781 10.894 -4.645 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -7.743 13.289 -3.794 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.166 11.749 -3.071 1.00 1.00 H new ATOM 104 N LYS A 8 -5.595 14.010 -4.692 1.00 1.00 N ATOM 105 CA LYS A 8 -5.097 15.074 -5.548 1.00 1.00 C ATOM 106 C LYS A 8 -4.949 16.356 -4.726 1.00 1.00 C ATOM 107 O LYS A 8 -3.940 17.055 -4.900 1.00 1.00 O ATOM 108 CB LYS A 8 -5.991 15.233 -6.779 1.00 1.00 C ATOM 109 CG LYS A 8 -5.198 14.999 -8.066 1.00 1.00 C ATOM 110 CD LYS A 8 -6.087 14.395 -9.155 1.00 1.00 C ATOM 111 CE LYS A 8 -6.166 15.317 -10.373 1.00 1.00 C ATOM 112 NZ LYS A 8 -7.173 16.369 -10.159 1.00 1.00 N ATOM 0 H LYS A 8 -5.787 14.299 -3.733 1.00 1.00 H new ATOM 0 HA LYS A 8 -4.108 14.824 -5.931 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -6.820 14.527 -6.725 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -6.425 16.233 -6.791 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.778 15.942 -8.416 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -4.359 14.332 -7.865 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -5.692 13.424 -9.455 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -7.088 14.224 -8.759 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -5.192 15.770 -10.557 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -6.421 14.737 -11.260 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -7.001 17.154 -10.819 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -8.123 15.979 -10.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -7.108 16.718 -9.181 1.00 1.00 H new ATOM 126 N LEU A 9 -5.940 16.635 -3.861 1.00 1.00 N ATOM 127 CA LEU A 9 -5.919 17.822 -3.022 1.00 1.00 C ATOM 128 C LEU A 9 -5.705 19.057 -3.899 1.00 1.00 C ATOM 129 O LEU A 9 -5.132 20.039 -3.405 1.00 1.00 O ATOM 130 CB LEU A 9 -4.883 17.671 -1.907 1.00 1.00 C ATOM 131 CG LEU A 9 -4.609 16.242 -1.433 1.00 1.00 C ATOM 132 CD1 LEU A 9 -3.284 15.723 -1.995 1.00 1.00 C ATOM 133 CD2 LEU A 9 -4.661 16.152 0.093 1.00 1.00 C ATOM 0 H LEU A 9 -6.763 16.046 -3.733 1.00 1.00 H new ATOM 0 HA LEU A 9 -6.877 17.951 -2.519 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -3.944 18.105 -2.250 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -5.212 18.260 -1.051 1.00 1.00 H new ATOM 0 HG LEU A 9 -5.397 15.596 -1.820 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -3.113 14.706 -1.643 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -3.324 15.728 -3.084 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -2.470 16.365 -1.659 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -4.463 15.126 0.404 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -3.908 16.813 0.522 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.649 16.452 0.442 1.00 1.00 H new ATOM 145 N LYS A 10 -6.160 18.985 -5.162 1.00 1.00 N ATOM 146 CA LYS A 10 -6.018 20.090 -6.096 1.00 1.00 C ATOM 147 C LYS A 10 -4.542 20.257 -6.461 1.00 1.00 C ATOM 148 O LYS A 10 -3.690 20.018 -5.594 1.00 1.00 O ATOM 149 CB LYS A 10 -6.658 21.357 -5.527 1.00 1.00 C ATOM 150 CG LYS A 10 -7.982 21.666 -6.228 1.00 1.00 C ATOM 151 CD LYS A 10 -7.832 22.847 -7.189 1.00 1.00 C ATOM 152 CE LYS A 10 -9.021 23.803 -7.073 1.00 1.00 C ATOM 153 NZ LYS A 10 -8.972 24.534 -5.796 1.00 1.00 N ATOM 0 H LYS A 10 -6.629 18.166 -5.550 1.00 1.00 H new ATOM 0 HA LYS A 10 -6.553 19.878 -7.022 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -6.829 21.233 -4.458 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -5.975 22.198 -5.645 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -8.321 20.787 -6.777 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -8.747 21.892 -5.485 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -6.908 23.382 -6.971 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -7.754 22.480 -8.212 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -9.010 24.509 -7.904 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -9.954 23.243 -7.143 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -9.885 24.439 -5.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -8.216 24.141 -5.200 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -8.780 25.540 -5.979 1.00 1.00 H new ATOM 167 N PRO A 11 -4.274 20.657 -7.717 1.00 1.00 N ATOM 168 CA PRO A 11 -2.928 20.863 -8.223 1.00 1.00 C ATOM 169 C PRO A 11 -2.318 22.145 -7.653 1.00 1.00 C ATOM 170 O PRO A 11 -2.754 23.234 -8.054 1.00 1.00 O ATOM 171 CB PRO A 11 -3.076 20.897 -9.735 1.00 1.00 C ATOM 172 CG PRO A 11 -4.547 21.174 -10.003 1.00 1.00 C ATOM 173 CD PRO A 11 -5.307 20.955 -8.705 1.00 1.00 C ATOM 0 HA PRO A 11 -2.240 20.073 -7.922 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -2.447 21.672 -10.172 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.770 19.950 -10.179 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -4.685 22.195 -10.358 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -4.924 20.512 -10.782 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -5.878 21.841 -8.426 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -6.017 20.133 -8.796 1.00 1.00 H new ATOM 181 N ASP A 12 -1.337 21.994 -6.745 1.00 1.00 N ATOM 182 CA ASP A 12 -0.677 23.132 -6.128 1.00 1.00 C ATOM 183 C ASP A 12 0.069 23.926 -7.202 1.00 1.00 C ATOM 184 O ASP A 12 0.216 25.146 -7.037 1.00 1.00 O ATOM 185 CB ASP A 12 0.344 22.676 -5.083 1.00 1.00 C ATOM 186 CG ASP A 12 0.795 23.761 -4.104 1.00 1.00 C ATOM 187 OD1 ASP A 12 1.660 24.595 -4.574 1.00 1.00 O ATOM 188 OD2 ASP A 12 0.343 23.808 -2.950 1.00 1.00 O ATOM 0 H ASP A 12 -0.991 21.088 -6.429 1.00 1.00 H new ATOM 0 HA ASP A 12 -1.439 23.744 -5.645 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -0.084 21.850 -4.515 1.00 1.00 H new ATOM 0 HB3 ASP A 12 1.221 22.286 -5.600 1.00 1.00 H new ATOM 193 N PHE A 13 0.517 23.232 -8.263 1.00 1.00 N ATOM 194 CA PHE A 13 1.239 23.869 -9.351 1.00 1.00 C ATOM 195 C PHE A 13 0.370 24.971 -9.959 1.00 1.00 C ATOM 196 O PHE A 13 0.931 25.927 -10.513 1.00 1.00 O ATOM 197 CB PHE A 13 1.599 22.809 -10.411 1.00 1.00 C ATOM 198 CG PHE A 13 0.423 22.328 -11.252 1.00 1.00 C ATOM 199 CD1 PHE A 13 -0.157 23.178 -12.222 1.00 1.00 C ATOM 200 CD2 PHE A 13 -0.099 21.028 -11.061 1.00 1.00 C ATOM 201 CE1 PHE A 13 -1.249 22.730 -12.996 1.00 1.00 C ATOM 202 CE2 PHE A 13 -1.191 20.581 -11.835 1.00 1.00 C ATOM 203 CZ PHE A 13 -1.765 21.431 -12.803 1.00 1.00 C ATOM 0 H PHE A 13 0.385 22.227 -8.380 1.00 1.00 H new ATOM 0 HA PHE A 13 2.160 24.318 -8.979 1.00 1.00 H new ATOM 0 HB2 PHE A 13 2.359 23.221 -11.075 1.00 1.00 H new ATOM 0 HB3 PHE A 13 2.046 21.950 -9.910 1.00 1.00 H new ATOM 0 HD1 PHE A 13 0.237 24.173 -12.371 1.00 1.00 H new ATOM 0 HD2 PHE A 13 0.339 20.375 -10.321 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -1.690 23.382 -13.736 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -1.587 19.587 -11.686 1.00 1.00 H new ATOM 0 HZ PHE A 13 -2.599 21.088 -13.396 1.00 1.00 H new ATOM 213 N CYS A 14 -0.962 24.819 -9.844 1.00 1.00 N ATOM 214 CA CYS A 14 -1.897 25.795 -10.379 1.00 1.00 C ATOM 215 C CYS A 14 -1.752 27.108 -9.608 1.00 1.00 C ATOM 216 O CYS A 14 -1.880 28.174 -10.229 1.00 1.00 O ATOM 217 CB CYS A 14 -3.332 25.264 -10.338 1.00 1.00 C ATOM 218 SG CYS A 14 -3.779 24.171 -11.719 1.00 1.00 S ATOM 0 H CYS A 14 -1.404 24.024 -9.383 1.00 1.00 H new ATOM 0 HA CYS A 14 -1.664 25.981 -11.427 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -3.478 24.723 -9.403 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -4.018 26.111 -10.327 1.00 1.00 H new ATOM 224 N PHE A 15 -1.494 27.009 -8.292 1.00 1.00 N ATOM 225 CA PHE A 15 -1.334 28.181 -7.448 1.00 1.00 C ATOM 226 C PHE A 15 0.124 28.642 -7.493 1.00 1.00 C ATOM 227 O PHE A 15 0.483 29.542 -6.720 1.00 1.00 O ATOM 228 CB PHE A 15 -1.752 27.830 -6.007 1.00 1.00 C ATOM 229 CG PHE A 15 -2.986 26.943 -5.902 1.00 1.00 C ATOM 230 CD1 PHE A 15 -4.162 27.269 -6.615 1.00 1.00 C ATOM 231 CD2 PHE A 15 -2.962 25.791 -5.082 1.00 1.00 C ATOM 232 CE1 PHE A 15 -5.305 26.447 -6.512 1.00 1.00 C ATOM 233 CE2 PHE A 15 -4.105 24.970 -4.980 1.00 1.00 C ATOM 234 CZ PHE A 15 -5.277 25.297 -5.695 1.00 1.00 C ATOM 0 H PHE A 15 -1.394 26.122 -7.799 1.00 1.00 H new ATOM 0 HA PHE A 15 -1.967 28.992 -7.808 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -0.919 27.331 -5.513 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -1.938 28.755 -5.461 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -4.186 28.149 -7.240 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -2.067 25.539 -4.533 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.202 26.699 -7.059 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.083 24.090 -4.354 1.00 1.00 H new ATOM 0 HZ PHE A 15 -6.151 24.668 -5.617 1.00 1.00 H new ATOM 244 N LEU A 16 0.923 28.026 -8.383 1.00 1.00 N ATOM 245 CA LEU A 16 2.328 28.371 -8.525 1.00 1.00 C ATOM 246 C LEU A 16 2.458 29.594 -9.435 1.00 1.00 C ATOM 247 O LEU A 16 1.803 29.619 -10.487 1.00 1.00 O ATOM 248 CB LEU A 16 3.131 27.160 -9.004 1.00 1.00 C ATOM 249 CG LEU A 16 4.372 26.811 -8.181 1.00 1.00 C ATOM 250 CD1 LEU A 16 4.252 25.412 -7.573 1.00 1.00 C ATOM 251 CD2 LEU A 16 5.645 26.965 -9.016 1.00 1.00 C ATOM 0 H LEU A 16 0.608 27.286 -9.011 1.00 1.00 H new ATOM 0 HA LEU A 16 2.753 28.645 -7.559 1.00 1.00 H new ATOM 0 HB2 LEU A 16 2.471 26.293 -9.015 1.00 1.00 H new ATOM 0 HB3 LEU A 16 3.441 27.338 -10.034 1.00 1.00 H new ATOM 0 HG LEU A 16 4.442 27.517 -7.353 1.00 1.00 H new ATOM 0 HD11 LEU A 16 5.148 25.189 -6.993 1.00 1.00 H new ATOM 0 HD12 LEU A 16 3.379 25.372 -6.922 1.00 1.00 H new ATOM 0 HD13 LEU A 16 4.144 24.677 -8.370 1.00 1.00 H new ATOM 0 HD21 LEU A 16 6.513 26.711 -8.407 1.00 1.00 H new ATOM 0 HD22 LEU A 16 5.598 26.298 -9.877 1.00 1.00 H new ATOM 0 HD23 LEU A 16 5.732 27.996 -9.360 1.00 1.00 H new ATOM 263 N GLU A 17 3.289 30.567 -9.020 1.00 1.00 N ATOM 264 CA GLU A 17 3.501 31.780 -9.792 1.00 1.00 C ATOM 265 C GLU A 17 3.859 31.406 -11.232 1.00 1.00 C ATOM 266 O GLU A 17 4.549 30.394 -11.424 1.00 1.00 O ATOM 267 CB GLU A 17 4.585 32.660 -9.168 1.00 1.00 C ATOM 268 CG GLU A 17 4.458 32.690 -7.644 1.00 1.00 C ATOM 269 CD GLU A 17 5.044 33.982 -7.070 1.00 1.00 C ATOM 270 OE1 GLU A 17 6.255 34.219 -7.187 1.00 1.00 O ATOM 271 OE2 GLU A 17 4.192 34.754 -6.485 1.00 1.00 O ATOM 0 H GLU A 17 3.821 30.526 -8.151 1.00 1.00 H new ATOM 0 HA GLU A 17 2.580 32.362 -9.790 1.00 1.00 H new ATOM 0 HB2 GLU A 17 5.569 32.283 -9.447 1.00 1.00 H new ATOM 0 HB3 GLU A 17 4.508 33.673 -9.563 1.00 1.00 H new ATOM 0 HG2 GLU A 17 3.409 32.605 -7.361 1.00 1.00 H new ATOM 0 HG3 GLU A 17 4.974 31.831 -7.216 1.00 1.00 H new ATOM 278 N GLU A 18 3.392 32.216 -12.199 1.00 1.00 N ATOM 279 CA GLU A 18 3.661 31.971 -13.605 1.00 1.00 C ATOM 280 C GLU A 18 5.166 32.080 -13.858 1.00 1.00 C ATOM 281 O GLU A 18 5.809 32.937 -13.233 1.00 1.00 O ATOM 282 CB GLU A 18 2.884 32.936 -14.503 1.00 1.00 C ATOM 283 CG GLU A 18 3.691 34.207 -14.771 1.00 1.00 C ATOM 284 CD GLU A 18 2.777 35.431 -14.853 1.00 1.00 C ATOM 285 OE1 GLU A 18 2.456 35.949 -13.716 1.00 1.00 O ATOM 286 OE2 GLU A 18 2.400 35.851 -15.957 1.00 1.00 O ATOM 0 H GLU A 18 2.826 33.045 -12.019 1.00 1.00 H new ATOM 0 HA GLU A 18 3.325 30.965 -13.855 1.00 1.00 H new ATOM 0 HB2 GLU A 18 2.645 32.447 -15.447 1.00 1.00 H new ATOM 0 HB3 GLU A 18 1.937 33.195 -14.030 1.00 1.00 H new ATOM 0 HG2 GLU A 18 4.425 34.350 -13.978 1.00 1.00 H new ATOM 0 HG3 GLU A 18 4.246 34.100 -15.703 1.00 1.00 H new ATOM 293 N ASP A 19 5.690 31.225 -14.754 1.00 1.00 N ATOM 294 CA ASP A 19 7.105 31.225 -15.084 1.00 1.00 C ATOM 295 C ASP A 19 7.282 30.848 -16.556 1.00 1.00 C ATOM 296 O ASP A 19 7.220 29.650 -16.869 1.00 1.00 O ATOM 297 CB ASP A 19 7.868 30.203 -14.239 1.00 1.00 C ATOM 298 CG ASP A 19 9.350 30.518 -14.026 1.00 1.00 C ATOM 299 OD1 ASP A 19 10.118 30.661 -14.989 1.00 1.00 O ATOM 300 OD2 ASP A 19 9.714 30.616 -12.792 1.00 1.00 O ATOM 0 H ASP A 19 5.143 30.527 -15.258 1.00 1.00 H new ATOM 0 HA ASP A 19 7.497 32.222 -14.885 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.385 30.126 -13.265 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.784 29.226 -14.715 1.00 1.00 H new ATOM 305 N PRO A 20 7.494 31.860 -17.416 1.00 1.00 N ATOM 306 CA PRO A 20 7.681 31.674 -18.844 1.00 1.00 C ATOM 307 C PRO A 20 9.057 31.073 -19.143 1.00 1.00 C ATOM 308 O PRO A 20 9.346 30.820 -20.322 1.00 1.00 O ATOM 309 CB PRO A 20 7.492 33.055 -19.450 1.00 1.00 C ATOM 310 CG PRO A 20 7.667 34.039 -18.305 1.00 1.00 C ATOM 311 CD PRO A 20 7.604 33.257 -17.004 1.00 1.00 C ATOM 0 HA PRO A 20 6.971 30.966 -19.272 1.00 1.00 H new ATOM 0 HB2 PRO A 20 8.222 33.239 -20.238 1.00 1.00 H new ATOM 0 HB3 PRO A 20 6.504 33.152 -19.901 1.00 1.00 H new ATOM 0 HG2 PRO A 20 8.621 34.559 -18.392 1.00 1.00 H new ATOM 0 HG3 PRO A 20 6.886 34.799 -18.332 1.00 1.00 H new ATOM 0 HD2 PRO A 20 8.495 33.422 -16.399 1.00 1.00 H new ATOM 0 HD3 PRO A 20 6.748 33.560 -16.401 1.00 1.00 H new ATOM 319 N GLY A 21 9.863 30.862 -18.088 1.00 1.00 N ATOM 320 CA GLY A 21 11.194 30.297 -18.237 1.00 1.00 C ATOM 321 C GLY A 21 12.228 31.423 -18.204 1.00 1.00 C ATOM 322 O GLY A 21 11.992 32.420 -17.505 1.00 1.00 O ATOM 0 H GLY A 21 9.605 31.078 -17.125 1.00 1.00 H new ATOM 0 HA2 GLY A 21 11.390 29.584 -17.436 1.00 1.00 H new ATOM 0 HA3 GLY A 21 11.266 29.749 -19.177 1.00 1.00 H new ATOM 326 N ILE A 22 13.335 31.247 -18.947 1.00 1.00 N ATOM 327 CA ILE A 22 14.393 32.242 -19.001 1.00 1.00 C ATOM 328 C ILE A 22 14.368 32.932 -20.366 1.00 1.00 C ATOM 329 O ILE A 22 14.428 34.170 -20.402 1.00 1.00 O ATOM 330 CB ILE A 22 15.742 31.609 -18.657 1.00 1.00 C ATOM 331 CG1 ILE A 22 15.556 30.342 -17.819 1.00 1.00 C ATOM 332 CG2 ILE A 22 16.663 32.620 -17.971 1.00 1.00 C ATOM 333 CD1 ILE A 22 16.899 29.662 -17.547 1.00 1.00 C ATOM 0 H ILE A 22 13.510 30.419 -19.516 1.00 1.00 H new ATOM 0 HA ILE A 22 14.229 33.014 -18.249 1.00 1.00 H new ATOM 0 HB ILE A 22 16.226 31.311 -19.587 1.00 1.00 H new ATOM 0 HG12 ILE A 22 15.074 30.594 -16.874 1.00 1.00 H new ATOM 0 HG13 ILE A 22 14.894 29.651 -18.340 1.00 1.00 H new ATOM 0 HG21 ILE A 22 17.615 32.144 -17.737 1.00 1.00 H new ATOM 0 HG22 ILE A 22 16.834 33.466 -18.636 1.00 1.00 H new ATOM 0 HG23 ILE A 22 16.197 32.971 -17.050 1.00 1.00 H new ATOM 0 HD11 ILE A 22 16.738 28.765 -16.950 1.00 1.00 H new ATOM 0 HD12 ILE A 22 17.367 29.389 -18.493 1.00 1.00 H new ATOM 0 HD13 ILE A 22 17.550 30.347 -17.004 1.00 1.00 H new ATOM 345 N CYS A 23 14.281 32.132 -21.444 1.00 1.00 N ATOM 346 CA CYS A 23 14.248 32.663 -22.796 1.00 1.00 C ATOM 347 C CYS A 23 12.926 33.401 -23.018 1.00 1.00 C ATOM 348 O CYS A 23 12.400 33.973 -22.052 1.00 1.00 O ATOM 349 CB CYS A 23 14.465 31.556 -23.830 1.00 1.00 C ATOM 350 SG CYS A 23 15.610 30.244 -23.312 1.00 1.00 S ATOM 0 H CYS A 23 14.233 31.114 -21.392 1.00 1.00 H new ATOM 0 HA CYS A 23 15.066 33.372 -22.924 1.00 1.00 H new ATOM 0 HB2 CYS A 23 13.501 31.105 -24.067 1.00 1.00 H new ATOM 0 HB3 CYS A 23 14.841 32.005 -24.749 1.00 1.00 H new ATOM 356 N ARG A 24 12.423 33.373 -24.266 1.00 1.00 N ATOM 357 CA ARG A 24 11.175 34.034 -24.608 1.00 1.00 C ATOM 358 C ARG A 24 10.281 33.060 -25.377 1.00 1.00 C ATOM 359 O ARG A 24 10.461 31.843 -25.218 1.00 1.00 O ATOM 360 CB ARG A 24 11.413 35.280 -25.462 1.00 1.00 C ATOM 361 CG ARG A 24 10.533 36.442 -24.995 1.00 1.00 C ATOM 362 CD ARG A 24 11.253 37.780 -25.171 1.00 1.00 C ATOM 363 NE ARG A 24 11.719 38.281 -23.859 1.00 1.00 N ATOM 364 CZ ARG A 24 12.169 39.536 -23.644 1.00 1.00 C ATOM 365 NH1 ARG A 24 12.204 40.398 -24.669 1.00 1.00 N ATOM 366 NH2 ARG A 24 12.574 39.914 -22.424 1.00 1.00 N ATOM 0 H ARG A 24 12.872 32.895 -25.048 1.00 1.00 H new ATOM 0 HA ARG A 24 10.693 34.345 -23.681 1.00 1.00 H new ATOM 0 HB2 ARG A 24 12.463 35.569 -25.406 1.00 1.00 H new ATOM 0 HB3 ARG A 24 11.200 35.055 -26.507 1.00 1.00 H new ATOM 0 HG2 ARG A 24 9.602 36.449 -25.562 1.00 1.00 H new ATOM 0 HG3 ARG A 24 10.267 36.303 -23.947 1.00 1.00 H new ATOM 0 HD2 ARG A 24 12.101 37.660 -25.846 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.581 38.506 -25.629 1.00 1.00 H new ATOM 0 HE ARG A 24 11.699 37.638 -23.067 1.00 1.00 H new ATOM 0 HH11 ARG A 24 11.894 40.103 -25.595 1.00 1.00 H new ATOM 0 HH12 ARG A 24 12.541 41.350 -24.524 1.00 1.00 H new ATOM 0 HH21 ARG A 24 12.544 39.252 -21.649 1.00 1.00 H new ATOM 0 HH22 ARG A 24 12.912 40.864 -22.271 1.00 1.00 H new ATOM 380 N GLY A 25 9.351 33.603 -26.183 1.00 1.00 N ATOM 381 CA GLY A 25 8.441 32.787 -26.968 1.00 1.00 C ATOM 382 C GLY A 25 7.024 32.927 -26.406 1.00 1.00 C ATOM 383 O GLY A 25 6.449 31.908 -25.996 1.00 1.00 O ATOM 0 H GLY A 25 9.219 34.608 -26.300 1.00 1.00 H new ATOM 0 HA2 GLY A 25 8.463 33.099 -28.012 1.00 1.00 H new ATOM 0 HA3 GLY A 25 8.754 31.743 -26.940 1.00 1.00 H new ATOM 387 N TYR A 26 6.499 34.166 -26.398 1.00 1.00 N ATOM 388 CA TYR A 26 5.160 34.367 -25.873 1.00 1.00 C ATOM 389 C TYR A 26 4.148 33.681 -26.793 1.00 1.00 C ATOM 390 O TYR A 26 4.288 33.816 -28.017 1.00 1.00 O ATOM 391 CB TYR A 26 4.875 35.873 -25.730 1.00 1.00 C ATOM 392 CG TYR A 26 5.892 36.630 -24.887 1.00 1.00 C ATOM 393 CD1 TYR A 26 6.892 35.923 -24.181 1.00 1.00 C ATOM 394 CD2 TYR A 26 5.847 38.041 -24.808 1.00 1.00 C ATOM 395 CE1 TYR A 26 7.838 36.620 -23.400 1.00 1.00 C ATOM 396 CE2 TYR A 26 6.793 38.739 -24.027 1.00 1.00 C ATOM 397 CZ TYR A 26 7.789 38.029 -23.322 1.00 1.00 C ATOM 398 OH TYR A 26 8.706 38.700 -22.564 1.00 1.00 O ATOM 0 H TYR A 26 6.969 35.005 -26.737 1.00 1.00 H new ATOM 0 HA TYR A 26 5.074 33.921 -24.882 1.00 1.00 H new ATOM 0 HB2 TYR A 26 4.841 36.320 -26.724 1.00 1.00 H new ATOM 0 HB3 TYR A 26 3.887 36.003 -25.288 1.00 1.00 H new ATOM 0 HD1 TYR A 26 6.932 34.845 -24.240 1.00 1.00 H new ATOM 0 HD2 TYR A 26 5.086 38.586 -25.347 1.00 1.00 H new ATOM 0 HE1 TYR A 26 8.600 36.076 -22.862 1.00 1.00 H new ATOM 0 HE2 TYR A 26 6.755 39.817 -23.969 1.00 1.00 H new ATOM 0 HH TYR A 26 8.534 39.663 -22.619 1.00 1.00 H new ATOM 408 N ILE A 27 3.174 32.964 -26.202 1.00 1.00 N ATOM 409 CA ILE A 27 2.163 32.259 -26.971 1.00 1.00 C ATOM 410 C ILE A 27 0.782 32.559 -26.385 1.00 1.00 C ATOM 411 O ILE A 27 -0.165 31.823 -26.700 1.00 1.00 O ATOM 412 CB ILE A 27 2.489 30.766 -27.044 1.00 1.00 C ATOM 413 CG1 ILE A 27 3.978 30.544 -27.317 1.00 1.00 C ATOM 414 CG2 ILE A 27 1.606 30.061 -28.076 1.00 1.00 C ATOM 415 CD1 ILE A 27 4.430 29.173 -26.808 1.00 1.00 C ATOM 0 H ILE A 27 3.076 32.865 -25.192 1.00 1.00 H new ATOM 0 HA ILE A 27 2.155 32.610 -28.003 1.00 1.00 H new ATOM 0 HB ILE A 27 2.268 30.320 -26.074 1.00 1.00 H new ATOM 0 HG12 ILE A 27 4.171 30.620 -28.387 1.00 1.00 H new ATOM 0 HG13 ILE A 27 4.561 31.327 -26.832 1.00 1.00 H new ATOM 0 HG21 ILE A 27 1.859 29.001 -28.108 1.00 1.00 H new ATOM 0 HG22 ILE A 27 0.558 30.176 -27.798 1.00 1.00 H new ATOM 0 HG23 ILE A 27 1.771 30.503 -29.059 1.00 1.00 H new ATOM 0 HD11 ILE A 27 5.492 29.040 -27.014 1.00 1.00 H new ATOM 0 HD12 ILE A 27 4.258 29.109 -25.733 1.00 1.00 H new ATOM 0 HD13 ILE A 27 3.862 28.392 -27.313 1.00 1.00 H new ATOM 427 N THR A 28 0.695 33.616 -25.558 1.00 1.00 N ATOM 428 CA THR A 28 -0.559 34.005 -24.936 1.00 1.00 C ATOM 429 C THR A 28 -1.153 32.804 -24.198 1.00 1.00 C ATOM 430 O THR A 28 -2.322 32.476 -24.448 1.00 1.00 O ATOM 431 CB THR A 28 -1.484 34.573 -26.014 1.00 1.00 C ATOM 432 OG1 THR A 28 -0.961 35.873 -26.271 1.00 1.00 O ATOM 433 CG2 THR A 28 -2.898 34.837 -25.494 1.00 1.00 C ATOM 0 H THR A 28 1.487 34.210 -25.312 1.00 1.00 H new ATOM 0 HA THR A 28 -0.410 34.786 -24.191 1.00 1.00 H new ATOM 0 HB THR A 28 -1.530 33.879 -26.854 1.00 1.00 H new ATOM 0 HG1 THR A 28 -1.501 36.312 -26.961 1.00 1.00 H new ATOM 0 HG21 THR A 28 -3.513 35.239 -26.299 1.00 1.00 H new ATOM 0 HG22 THR A 28 -3.334 33.904 -25.136 1.00 1.00 H new ATOM 0 HG23 THR A 28 -2.856 35.556 -24.676 1.00 1.00 H new ATOM 441 N ARG A 29 -0.349 32.181 -23.316 1.00 1.00 N ATOM 442 CA ARG A 29 -0.792 31.028 -22.551 1.00 1.00 C ATOM 443 C ARG A 29 -1.585 31.505 -21.333 1.00 1.00 C ATOM 444 O ARG A 29 -1.719 32.725 -21.156 1.00 1.00 O ATOM 445 CB ARG A 29 0.389 30.176 -22.081 1.00 1.00 C ATOM 446 CG ARG A 29 1.117 29.546 -23.270 1.00 1.00 C ATOM 447 CD ARG A 29 0.166 28.681 -24.100 1.00 1.00 C ATOM 448 NE ARG A 29 0.906 28.033 -25.206 1.00 1.00 N ATOM 449 CZ ARG A 29 0.329 27.574 -26.336 1.00 1.00 C ATOM 450 NH1 ARG A 29 -0.996 27.703 -26.487 1.00 1.00 N ATOM 451 NH2 ARG A 29 1.069 26.998 -27.293 1.00 1.00 N ATOM 0 H ARG A 29 0.611 32.467 -23.124 1.00 1.00 H new ATOM 0 HA ARG A 29 -1.418 30.413 -23.198 1.00 1.00 H new ATOM 0 HB2 ARG A 29 1.083 30.793 -21.510 1.00 1.00 H new ATOM 0 HB3 ARG A 29 0.034 29.393 -21.411 1.00 1.00 H new ATOM 0 HG2 ARG A 29 1.542 30.330 -23.897 1.00 1.00 H new ATOM 0 HG3 ARG A 29 1.948 28.938 -22.912 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -0.295 27.923 -23.467 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.640 29.295 -24.501 1.00 1.00 H new ATOM 0 HE ARG A 29 1.916 27.927 -25.108 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -1.552 28.143 -25.754 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.448 27.361 -27.335 1.00 1.00 H new ATOM 0 HH21 ARG A 29 2.077 26.904 -27.171 1.00 1.00 H new ATOM 0 HH22 ARG A 29 0.624 26.654 -28.144 1.00 1.00 H new ATOM 465 N TYR A 30 -2.086 30.550 -20.529 1.00 1.00 N ATOM 466 CA TYR A 30 -2.853 30.936 -19.357 1.00 1.00 C ATOM 467 C TYR A 30 -2.284 30.230 -18.125 1.00 1.00 C ATOM 468 O TYR A 30 -1.654 29.176 -18.296 1.00 1.00 O ATOM 469 CB TYR A 30 -4.340 30.603 -19.573 1.00 1.00 C ATOM 470 CG TYR A 30 -4.975 31.293 -20.773 1.00 1.00 C ATOM 471 CD1 TYR A 30 -4.556 30.975 -22.086 1.00 1.00 C ATOM 472 CD2 TYR A 30 -5.984 32.264 -20.578 1.00 1.00 C ATOM 473 CE1 TYR A 30 -5.144 31.620 -23.194 1.00 1.00 C ATOM 474 CE2 TYR A 30 -6.573 32.909 -21.687 1.00 1.00 C ATOM 475 CZ TYR A 30 -6.154 32.587 -22.996 1.00 1.00 C ATOM 476 OH TYR A 30 -6.727 33.213 -24.066 1.00 1.00 O ATOM 0 H TYR A 30 -1.974 29.546 -20.670 1.00 1.00 H new ATOM 0 HA TYR A 30 -2.777 32.011 -19.196 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -4.444 29.525 -19.693 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -4.895 30.879 -18.676 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -3.784 30.236 -22.241 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -6.305 32.513 -19.577 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -4.821 31.374 -24.195 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -7.344 33.649 -21.534 1.00 1.00 H new ATOM 0 HH TYR A 30 -6.072 33.808 -24.486 1.00 1.00 H new ATOM 486 N PHE A 31 -2.502 30.814 -16.933 1.00 1.00 N ATOM 487 CA PHE A 31 -2.001 30.243 -15.694 1.00 1.00 C ATOM 488 C PHE A 31 -2.888 30.698 -14.533 1.00 1.00 C ATOM 489 O PHE A 31 -3.255 31.882 -14.500 1.00 1.00 O ATOM 490 CB PHE A 31 -0.544 30.697 -15.478 1.00 1.00 C ATOM 491 CG PHE A 31 -0.394 32.076 -14.849 1.00 1.00 C ATOM 492 CD1 PHE A 31 -0.527 33.236 -15.646 1.00 1.00 C ATOM 493 CD2 PHE A 31 -0.129 32.205 -13.466 1.00 1.00 C ATOM 494 CE1 PHE A 31 -0.393 34.515 -15.066 1.00 1.00 C ATOM 495 CE2 PHE A 31 0.005 33.485 -12.886 1.00 1.00 C ATOM 496 CZ PHE A 31 -0.127 34.640 -13.686 1.00 1.00 C ATOM 0 H PHE A 31 -3.024 31.682 -16.814 1.00 1.00 H new ATOM 0 HA PHE A 31 -2.024 29.154 -15.745 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -0.040 29.967 -14.844 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -0.030 30.693 -16.439 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -0.732 33.143 -16.702 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -0.029 31.322 -12.852 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -0.494 35.399 -15.678 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.209 33.580 -11.830 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.024 35.619 -13.242 1.00 1.00 H new ATOM 506 N TYR A 32 -3.211 29.765 -13.620 1.00 1.00 N ATOM 507 CA TYR A 32 -4.054 30.132 -12.495 1.00 1.00 C ATOM 508 C TYR A 32 -3.244 30.975 -11.508 1.00 1.00 C ATOM 509 O TYR A 32 -2.299 30.432 -10.917 1.00 1.00 O ATOM 510 CB TYR A 32 -4.622 28.863 -11.833 1.00 1.00 C ATOM 511 CG TYR A 32 -5.862 29.097 -10.981 1.00 1.00 C ATOM 512 CD1 TYR A 32 -7.139 29.177 -11.582 1.00 1.00 C ATOM 513 CD2 TYR A 32 -5.739 29.241 -9.580 1.00 1.00 C ATOM 514 CE1 TYR A 32 -8.285 29.397 -10.787 1.00 1.00 C ATOM 515 CE2 TYR A 32 -6.885 29.461 -8.785 1.00 1.00 C ATOM 516 CZ TYR A 32 -8.159 29.538 -9.388 1.00 1.00 C ATOM 517 OH TYR A 32 -9.265 29.750 -8.615 1.00 1.00 O ATOM 0 H TYR A 32 -2.910 28.791 -13.644 1.00 1.00 H new ATOM 0 HA TYR A 32 -4.898 30.731 -12.838 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -4.863 28.139 -12.611 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -3.848 28.416 -11.210 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -7.238 29.070 -12.652 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.765 29.183 -9.116 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -9.259 29.457 -11.250 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -6.787 29.570 -7.715 1.00 1.00 H new ATOM 0 HH TYR A 32 -9.566 30.677 -8.722 1.00 1.00 H new ATOM 527 N ASN A 33 -3.611 32.260 -11.359 1.00 1.00 N ATOM 528 CA ASN A 33 -2.911 33.161 -10.460 1.00 1.00 C ATOM 529 C ASN A 33 -3.676 33.254 -9.138 1.00 1.00 C ATOM 530 O ASN A 33 -4.807 33.761 -9.146 1.00 1.00 O ATOM 531 CB ASN A 33 -2.819 34.569 -11.052 1.00 1.00 C ATOM 532 CG ASN A 33 -1.887 35.454 -10.222 1.00 1.00 C ATOM 533 OD1 ASN A 33 -1.354 35.052 -9.200 1.00 1.00 O ATOM 534 ND2 ASN A 33 -1.720 36.677 -10.715 1.00 1.00 N ATOM 0 H ASN A 33 -4.392 32.688 -11.856 1.00 1.00 H new ATOM 0 HA ASN A 33 -1.906 32.768 -10.305 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -2.455 34.513 -12.078 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -3.812 35.017 -11.091 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -1.116 37.343 -10.233 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -2.196 36.949 -11.575 1.00 1.00 H new ATOM 541 N ASN A 34 -3.056 32.769 -8.047 1.00 1.00 N ATOM 542 CA ASN A 34 -3.674 32.797 -6.733 1.00 1.00 C ATOM 543 C ASN A 34 -3.971 34.247 -6.345 1.00 1.00 C ATOM 544 O ASN A 34 -4.977 34.480 -5.658 1.00 1.00 O ATOM 545 CB ASN A 34 -2.743 32.205 -5.673 1.00 1.00 C ATOM 546 CG ASN A 34 -3.244 32.525 -4.263 1.00 1.00 C ATOM 547 OD1 ASN A 34 -3.084 33.622 -3.754 1.00 1.00 O ATOM 548 ND2 ASN A 34 -3.857 31.508 -3.663 1.00 1.00 N ATOM 0 H ASN A 34 -2.124 32.354 -8.062 1.00 1.00 H new ATOM 0 HA ASN A 34 -4.589 32.207 -6.778 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -2.678 31.125 -5.803 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -1.737 32.603 -5.804 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -4.227 31.621 -2.719 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -3.957 30.616 -4.147 1.00 1.00 H new ATOM 555 N GLN A 35 -3.105 35.178 -6.783 1.00 1.00 N ATOM 556 CA GLN A 35 -3.274 36.589 -6.483 1.00 1.00 C ATOM 557 C GLN A 35 -4.693 37.020 -6.859 1.00 1.00 C ATOM 558 O GLN A 35 -5.251 37.881 -6.163 1.00 1.00 O ATOM 559 CB GLN A 35 -2.232 37.446 -7.206 1.00 1.00 C ATOM 560 CG GLN A 35 -1.670 38.525 -6.278 1.00 1.00 C ATOM 561 CD GLN A 35 -0.164 38.344 -6.075 1.00 1.00 C ATOM 562 OE1 GLN A 35 0.631 39.243 -6.296 1.00 1.00 O ATOM 563 NE2 GLN A 35 0.182 37.134 -5.644 1.00 1.00 N ATOM 0 H GLN A 35 -2.282 34.966 -7.347 1.00 1.00 H new ATOM 0 HA GLN A 35 -3.123 36.739 -5.414 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -1.421 36.813 -7.566 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -2.684 37.913 -8.081 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -1.868 39.511 -6.699 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -2.178 38.482 -5.315 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -0.535 36.427 -5.479 1.00 1.00 H new ATOM 0 HE22 GLN A 35 1.164 36.913 -5.479 1.00 1.00 H new ATOM 572 N THR A 36 -5.239 36.423 -7.933 1.00 1.00 N ATOM 573 CA THR A 36 -6.580 36.743 -8.393 1.00 1.00 C ATOM 574 C THR A 36 -7.444 35.480 -8.350 1.00 1.00 C ATOM 575 O THR A 36 -8.502 35.468 -8.997 1.00 1.00 O ATOM 576 CB THR A 36 -6.483 37.366 -9.787 1.00 1.00 C ATOM 577 OG1 THR A 36 -5.945 36.323 -10.596 1.00 1.00 O ATOM 578 CG2 THR A 36 -5.431 38.475 -9.860 1.00 1.00 C ATOM 0 H THR A 36 -4.762 35.716 -8.492 1.00 1.00 H new ATOM 0 HA THR A 36 -7.063 37.474 -7.744 1.00 1.00 H new ATOM 0 HB THR A 36 -7.455 37.768 -10.074 1.00 1.00 H new ATOM 0 HG1 THR A 36 -6.464 36.251 -11.424 1.00 1.00 H new ATOM 0 HG21 THR A 36 -5.402 38.883 -10.870 1.00 1.00 H new ATOM 0 HG22 THR A 36 -5.687 39.266 -9.156 1.00 1.00 H new ATOM 0 HG23 THR A 36 -4.453 38.066 -9.606 1.00 1.00 H new ATOM 586 N LYS A 37 -6.985 34.461 -7.602 1.00 1.00 N ATOM 587 CA LYS A 37 -7.710 33.209 -7.479 1.00 1.00 C ATOM 588 C LYS A 37 -8.457 32.926 -8.784 1.00 1.00 C ATOM 589 O LYS A 37 -9.655 32.612 -8.722 1.00 1.00 O ATOM 590 CB LYS A 37 -8.616 33.234 -6.246 1.00 1.00 C ATOM 591 CG LYS A 37 -7.789 33.300 -4.960 1.00 1.00 C ATOM 592 CD LYS A 37 -8.011 34.627 -4.233 1.00 1.00 C ATOM 593 CE LYS A 37 -9.435 34.717 -3.678 1.00 1.00 C ATOM 594 NZ LYS A 37 -9.420 34.656 -2.208 1.00 1.00 N ATOM 0 H LYS A 37 -6.111 34.492 -7.077 1.00 1.00 H new ATOM 0 HA LYS A 37 -7.017 32.382 -7.322 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -9.284 34.094 -6.298 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -9.244 32.343 -6.234 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -8.062 32.472 -4.305 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -6.731 33.184 -5.197 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -7.293 34.724 -3.419 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -7.831 35.456 -4.918 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -9.901 35.647 -4.005 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -10.039 33.901 -4.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -10.394 34.718 -1.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -8.995 33.758 -1.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -8.861 35.449 -1.833 1.00 1.00 H new ATOM 608 N GLN A 38 -7.747 33.042 -9.921 1.00 1.00 N ATOM 609 CA GLN A 38 -8.339 32.800 -11.226 1.00 1.00 C ATOM 610 C GLN A 38 -7.229 32.688 -12.272 1.00 1.00 C ATOM 611 O GLN A 38 -6.092 33.081 -11.970 1.00 1.00 O ATOM 612 CB GLN A 38 -9.337 33.897 -11.601 1.00 1.00 C ATOM 613 CG GLN A 38 -10.651 33.729 -10.836 1.00 1.00 C ATOM 614 CD GLN A 38 -11.838 34.216 -11.669 1.00 1.00 C ATOM 615 OE1 GLN A 38 -11.806 35.269 -12.286 1.00 1.00 O ATOM 616 NE2 GLN A 38 -12.884 33.396 -11.653 1.00 1.00 N ATOM 0 H GLN A 38 -6.761 33.303 -9.950 1.00 1.00 H new ATOM 0 HA GLN A 38 -8.895 31.863 -11.190 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.907 34.875 -11.382 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.530 33.867 -12.673 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -10.792 32.680 -10.575 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -10.605 34.287 -9.901 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -12.845 32.530 -11.116 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -13.726 33.633 -12.178 1.00 1.00 H new ATOM 625 N CYS A 39 -7.572 32.163 -13.462 1.00 1.00 N ATOM 626 CA CYS A 39 -6.611 32.002 -14.539 1.00 1.00 C ATOM 627 C CYS A 39 -6.305 33.370 -15.152 1.00 1.00 C ATOM 628 O CYS A 39 -7.256 34.108 -15.451 1.00 1.00 O ATOM 629 CB CYS A 39 -7.116 31.007 -15.586 1.00 1.00 C ATOM 630 SG CYS A 39 -6.931 29.259 -15.128 1.00 1.00 S ATOM 0 H CYS A 39 -8.514 31.846 -13.691 1.00 1.00 H new ATOM 0 HA CYS A 39 -5.686 31.588 -14.138 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -8.170 31.208 -15.779 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -6.582 31.182 -16.520 1.00 1.00 H new ATOM 636 N GLU A 40 -5.007 33.676 -15.325 1.00 1.00 N ATOM 637 CA GLU A 40 -4.584 34.943 -15.898 1.00 1.00 C ATOM 638 C GLU A 40 -3.827 34.682 -17.201 1.00 1.00 C ATOM 639 O GLU A 40 -2.999 33.759 -17.227 1.00 1.00 O ATOM 640 CB GLU A 40 -3.727 35.745 -14.916 1.00 1.00 C ATOM 641 CG GLU A 40 -4.428 35.887 -13.564 1.00 1.00 C ATOM 642 CD GLU A 40 -5.560 36.914 -13.638 1.00 1.00 C ATOM 643 OE1 GLU A 40 -5.457 37.895 -14.390 1.00 1.00 O ATOM 644 OE2 GLU A 40 -6.573 36.665 -12.880 1.00 1.00 O ATOM 0 H GLU A 40 -4.239 33.054 -15.072 1.00 1.00 H new ATOM 0 HA GLU A 40 -5.469 35.543 -16.111 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -2.765 35.251 -14.780 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -3.523 36.733 -15.329 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -4.828 34.921 -13.255 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -3.706 36.191 -12.806 1.00 1.00 H new ATOM 651 N ARG A 41 -4.120 35.485 -18.239 1.00 1.00 N ATOM 652 CA ARG A 41 -3.471 35.341 -19.531 1.00 1.00 C ATOM 653 C ARG A 41 -2.020 35.813 -19.424 1.00 1.00 C ATOM 654 O ARG A 41 -1.805 36.989 -19.094 1.00 1.00 O ATOM 655 CB ARG A 41 -4.185 36.152 -20.614 1.00 1.00 C ATOM 656 CG ARG A 41 -4.747 35.237 -21.704 1.00 1.00 C ATOM 657 CD ARG A 41 -6.141 35.694 -22.138 1.00 1.00 C ATOM 658 NE ARG A 41 -7.020 35.834 -20.955 1.00 1.00 N ATOM 659 CZ ARG A 41 -8.255 36.378 -20.990 1.00 1.00 C ATOM 660 NH1 ARG A 41 -8.736 36.825 -22.158 1.00 1.00 N ATOM 661 NH2 ARG A 41 -8.989 36.469 -19.872 1.00 1.00 N ATOM 0 H ARG A 41 -4.806 36.239 -18.196 1.00 1.00 H new ATOM 0 HA ARG A 41 -3.511 34.289 -19.813 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -4.994 36.730 -20.167 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -3.490 36.866 -21.056 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -4.077 35.235 -22.564 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -4.795 34.212 -21.335 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -6.073 36.646 -22.665 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -6.568 34.973 -22.835 1.00 1.00 H new ATOM 0 HE ARG A 41 -6.671 35.498 -20.057 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -8.171 36.752 -23.004 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -9.667 37.239 -22.201 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -8.615 36.126 -18.987 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -9.921 36.881 -19.906 1.00 1.00 H new ATOM 675 N PHE A 42 -1.068 34.903 -19.699 1.00 1.00 N ATOM 676 CA PHE A 42 0.347 35.226 -19.634 1.00 1.00 C ATOM 677 C PHE A 42 1.071 34.566 -20.809 1.00 1.00 C ATOM 678 O PHE A 42 0.418 33.836 -21.570 1.00 1.00 O ATOM 679 CB PHE A 42 0.919 34.729 -18.292 1.00 1.00 C ATOM 680 CG PHE A 42 1.409 33.287 -18.304 1.00 1.00 C ATOM 681 CD1 PHE A 42 0.502 32.234 -18.561 1.00 1.00 C ATOM 682 CD2 PHE A 42 2.772 32.994 -18.067 1.00 1.00 C ATOM 683 CE1 PHE A 42 0.954 30.897 -18.577 1.00 1.00 C ATOM 684 CE2 PHE A 42 3.223 31.657 -18.084 1.00 1.00 C ATOM 685 CZ PHE A 42 2.314 30.608 -18.338 1.00 1.00 C ATOM 0 H PHE A 42 -1.266 33.939 -19.968 1.00 1.00 H new ATOM 0 HA PHE A 42 0.490 36.305 -19.698 1.00 1.00 H new ATOM 0 HB2 PHE A 42 1.746 35.377 -18.003 1.00 1.00 H new ATOM 0 HB3 PHE A 42 0.151 34.831 -17.525 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -0.539 32.453 -18.746 1.00 1.00 H new ATOM 0 HD2 PHE A 42 3.469 33.795 -17.873 1.00 1.00 H new ATOM 0 HE1 PHE A 42 0.258 30.095 -18.772 1.00 1.00 H new ATOM 0 HE2 PHE A 42 4.265 31.436 -17.902 1.00 1.00 H new ATOM 0 HZ PHE A 42 2.659 29.585 -18.349 1.00 1.00 H new ATOM 695 N LYS A 43 2.384 34.830 -20.933 1.00 1.00 N ATOM 696 CA LYS A 43 3.185 34.266 -22.006 1.00 1.00 C ATOM 697 C LYS A 43 4.019 33.106 -21.459 1.00 1.00 C ATOM 698 O LYS A 43 4.317 33.111 -20.256 1.00 1.00 O ATOM 699 CB LYS A 43 4.018 35.357 -22.682 1.00 1.00 C ATOM 700 CG LYS A 43 4.340 36.488 -21.703 1.00 1.00 C ATOM 701 CD LYS A 43 3.165 37.461 -21.584 1.00 1.00 C ATOM 702 CE LYS A 43 3.648 38.912 -21.629 1.00 1.00 C ATOM 703 NZ LYS A 43 2.520 39.837 -21.438 1.00 1.00 N ATOM 0 H LYS A 43 2.903 35.434 -20.296 1.00 1.00 H new ATOM 0 HA LYS A 43 2.543 33.857 -22.786 1.00 1.00 H new ATOM 0 HB2 LYS A 43 4.944 34.928 -23.064 1.00 1.00 H new ATOM 0 HB3 LYS A 43 3.474 35.756 -23.538 1.00 1.00 H new ATOM 0 HG2 LYS A 43 4.572 36.071 -20.723 1.00 1.00 H new ATOM 0 HG3 LYS A 43 5.228 37.024 -22.040 1.00 1.00 H new ATOM 0 HD2 LYS A 43 2.458 37.284 -22.395 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.632 37.280 -20.651 1.00 1.00 H new ATOM 0 HE2 LYS A 43 4.396 39.077 -20.854 1.00 1.00 H new ATOM 0 HE3 LYS A 43 4.131 39.111 -22.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.866 40.817 -21.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.820 39.691 -22.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.076 39.658 -20.515 1.00 1.00 H new ATOM 717 N TYR A 44 4.372 32.151 -22.338 1.00 1.00 N ATOM 718 CA TYR A 44 5.161 31.020 -21.880 1.00 1.00 C ATOM 719 C TYR A 44 6.624 31.231 -22.273 1.00 1.00 C ATOM 720 O TYR A 44 7.406 31.649 -21.406 1.00 1.00 O ATOM 721 CB TYR A 44 4.592 29.716 -22.467 1.00 1.00 C ATOM 722 CG TYR A 44 5.493 28.500 -22.296 1.00 1.00 C ATOM 723 CD1 TYR A 44 6.605 28.562 -21.425 1.00 1.00 C ATOM 724 CD2 TYR A 44 5.221 27.304 -22.999 1.00 1.00 C ATOM 725 CE1 TYR A 44 7.441 27.437 -21.260 1.00 1.00 C ATOM 726 CE2 TYR A 44 6.057 26.179 -22.834 1.00 1.00 C ATOM 727 CZ TYR A 44 7.169 26.245 -21.965 1.00 1.00 C ATOM 728 OH TYR A 44 7.981 25.159 -21.803 1.00 1.00 O ATOM 0 H TYR A 44 4.130 32.146 -23.329 1.00 1.00 H new ATOM 0 HA TYR A 44 5.111 30.941 -20.794 1.00 1.00 H new ATOM 0 HB2 TYR A 44 3.631 29.509 -21.996 1.00 1.00 H new ATOM 0 HB3 TYR A 44 4.401 29.864 -23.530 1.00 1.00 H new ATOM 0 HD1 TYR A 44 6.815 29.473 -20.884 1.00 1.00 H new ATOM 0 HD2 TYR A 44 4.372 27.251 -23.664 1.00 1.00 H new ATOM 0 HE1 TYR A 44 8.289 27.488 -20.594 1.00 1.00 H new ATOM 0 HE2 TYR A 44 5.847 25.267 -23.373 1.00 1.00 H new ATOM 0 HH TYR A 44 8.806 25.432 -21.350 1.00 1.00 H new ATOM 738 N GLY A 45 6.964 30.936 -23.541 1.00 1.00 N ATOM 739 CA GLY A 45 8.325 31.085 -24.028 1.00 1.00 C ATOM 740 C GLY A 45 8.872 29.713 -24.426 1.00 1.00 C ATOM 741 O GLY A 45 9.200 29.529 -25.608 1.00 1.00 O ATOM 0 H GLY A 45 6.305 30.593 -24.239 1.00 1.00 H new ATOM 0 HA2 GLY A 45 8.346 31.760 -24.884 1.00 1.00 H new ATOM 0 HA3 GLY A 45 8.953 31.530 -23.256 1.00 1.00 H new ATOM 745 N GLY A 46 8.958 28.792 -23.450 1.00 1.00 N ATOM 746 CA GLY A 46 9.460 27.451 -23.698 1.00 1.00 C ATOM 747 C GLY A 46 10.427 27.059 -22.579 1.00 1.00 C ATOM 748 O GLY A 46 9.971 26.482 -21.581 1.00 1.00 O ATOM 0 H GLY A 46 8.683 28.964 -22.483 1.00 1.00 H new ATOM 0 HA2 GLY A 46 8.632 26.743 -23.744 1.00 1.00 H new ATOM 0 HA3 GLY A 46 9.967 27.412 -24.662 1.00 1.00 H new ATOM 752 N CYS A 47 11.722 27.374 -22.764 1.00 1.00 N ATOM 753 CA CYS A 47 12.740 27.056 -21.777 1.00 1.00 C ATOM 754 C CYS A 47 12.072 26.815 -20.421 1.00 1.00 C ATOM 755 O CYS A 47 11.349 27.707 -19.954 1.00 1.00 O ATOM 756 CB CYS A 47 13.800 28.157 -21.703 1.00 1.00 C ATOM 757 SG CYS A 47 14.654 28.498 -23.271 1.00 1.00 S ATOM 0 H CYS A 47 12.077 27.849 -23.594 1.00 1.00 H new ATOM 0 HA CYS A 47 13.258 26.145 -22.075 1.00 1.00 H new ATOM 0 HB2 CYS A 47 13.326 29.075 -21.356 1.00 1.00 H new ATOM 0 HB3 CYS A 47 14.542 27.878 -20.954 1.00 1.00 H new ATOM 763 N LEU A 48 12.324 25.635 -19.827 1.00 1.00 N ATOM 764 CA LEU A 48 11.751 25.284 -18.538 1.00 1.00 C ATOM 765 C LEU A 48 11.075 26.516 -17.933 1.00 1.00 C ATOM 766 O LEU A 48 11.789 27.460 -17.565 1.00 1.00 O ATOM 767 CB LEU A 48 12.814 24.659 -17.632 1.00 1.00 C ATOM 768 CG LEU A 48 12.343 23.509 -16.740 1.00 1.00 C ATOM 769 CD1 LEU A 48 13.530 22.809 -16.076 1.00 1.00 C ATOM 770 CD2 LEU A 48 11.317 23.995 -15.715 1.00 1.00 C ATOM 0 H LEU A 48 12.923 24.914 -20.229 1.00 1.00 H new ATOM 0 HA LEU A 48 10.980 24.523 -18.658 1.00 1.00 H new ATOM 0 HB2 LEU A 48 13.629 24.296 -18.258 1.00 1.00 H new ATOM 0 HB3 LEU A 48 13.226 25.442 -16.995 1.00 1.00 H new ATOM 0 HG LEU A 48 11.845 22.771 -17.369 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.168 21.996 -15.447 1.00 1.00 H new ATOM 0 HD12 LEU A 48 14.191 22.407 -16.844 1.00 1.00 H new ATOM 0 HD13 LEU A 48 14.078 23.525 -15.463 1.00 1.00 H new ATOM 0 HD21 LEU A 48 10.999 23.158 -15.094 1.00 1.00 H new ATOM 0 HD22 LEU A 48 11.767 24.763 -15.086 1.00 1.00 H new ATOM 0 HD23 LEU A 48 10.453 24.411 -16.234 1.00 1.00 H new ATOM 782 N GLY A 49 9.733 26.483 -17.844 1.00 1.00 N ATOM 783 CA GLY A 49 8.971 27.589 -17.289 1.00 1.00 C ATOM 784 C GLY A 49 7.955 27.047 -16.282 1.00 1.00 C ATOM 785 O GLY A 49 6.774 26.928 -16.641 1.00 1.00 O ATOM 0 H GLY A 49 9.163 25.695 -18.153 1.00 1.00 H new ATOM 0 HA2 GLY A 49 9.640 28.299 -16.802 1.00 1.00 H new ATOM 0 HA3 GLY A 49 8.459 28.129 -18.085 1.00 1.00 H new ATOM 789 N ASN A 50 8.425 26.735 -15.061 1.00 1.00 N ATOM 790 CA ASN A 50 7.563 26.211 -14.014 1.00 1.00 C ATOM 791 C ASN A 50 6.500 25.307 -14.640 1.00 1.00 C ATOM 792 O ASN A 50 6.720 24.826 -15.762 1.00 1.00 O ATOM 793 CB ASN A 50 6.846 27.342 -13.274 1.00 1.00 C ATOM 794 CG ASN A 50 5.667 27.872 -14.093 1.00 1.00 C ATOM 795 OD1 ASN A 50 5.822 28.403 -15.180 1.00 1.00 O ATOM 796 ND2 ASN A 50 4.484 27.700 -13.511 1.00 1.00 N ATOM 0 H ASN A 50 9.401 26.841 -14.785 1.00 1.00 H new ATOM 0 HA ASN A 50 8.185 25.657 -13.311 1.00 1.00 H new ATOM 0 HB2 ASN A 50 6.490 26.982 -12.309 1.00 1.00 H new ATOM 0 HB3 ASN A 50 7.547 28.152 -13.073 1.00 1.00 H new ATOM 0 HD21 ASN A 50 3.635 28.021 -13.977 1.00 1.00 H new ATOM 0 HD22 ASN A 50 4.425 27.247 -12.599 1.00 1.00 H new ATOM 803 N MET A 51 5.386 25.097 -13.916 1.00 1.00 N ATOM 804 CA MET A 51 4.301 24.259 -14.397 1.00 1.00 C ATOM 805 C MET A 51 3.161 25.146 -14.900 1.00 1.00 C ATOM 806 O MET A 51 2.989 25.250 -16.123 1.00 1.00 O ATOM 807 CB MET A 51 3.789 23.355 -13.274 1.00 1.00 C ATOM 808 CG MET A 51 4.824 22.289 -12.912 1.00 1.00 C ATOM 809 SD MET A 51 6.238 23.056 -12.067 1.00 1.00 S ATOM 810 CE MET A 51 5.435 23.580 -10.523 1.00 1.00 C ATOM 0 H MET A 51 5.224 25.503 -12.994 1.00 1.00 H new ATOM 0 HA MET A 51 4.669 23.634 -15.210 1.00 1.00 H new ATOM 0 HB2 MET A 51 3.559 23.957 -12.395 1.00 1.00 H new ATOM 0 HB3 MET A 51 2.861 22.875 -13.584 1.00 1.00 H new ATOM 0 HG2 MET A 51 4.371 21.535 -12.269 1.00 1.00 H new ATOM 0 HG3 MET A 51 5.162 21.778 -13.813 1.00 1.00 H new ATOM 0 HE1 MET A 51 6.193 23.910 -9.813 1.00 1.00 H new ATOM 0 HE2 MET A 51 4.749 24.401 -10.730 1.00 1.00 H new ATOM 0 HE3 MET A 51 4.881 22.743 -10.099 1.00 1.00 H new ATOM 820 N ASN A 52 2.416 25.759 -13.961 1.00 1.00 N ATOM 821 CA ASN A 52 1.304 26.628 -14.307 1.00 1.00 C ATOM 822 C ASN A 52 1.587 27.301 -15.651 1.00 1.00 C ATOM 823 O ASN A 52 2.251 28.347 -15.659 1.00 1.00 O ATOM 824 CB ASN A 52 1.117 27.726 -13.258 1.00 1.00 C ATOM 825 CG ASN A 52 -0.328 28.230 -13.244 1.00 1.00 C ATOM 826 OD1 ASN A 52 -1.126 27.929 -14.116 1.00 1.00 O ATOM 827 ND2 ASN A 52 -0.617 29.012 -12.208 1.00 1.00 N ATOM 0 H ASN A 52 2.574 25.660 -12.958 1.00 1.00 H new ATOM 0 HA ASN A 52 0.402 26.018 -14.356 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.382 27.342 -12.273 1.00 1.00 H new ATOM 0 HB3 ASN A 52 1.793 28.555 -13.469 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -1.555 29.400 -12.108 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.099 29.224 -11.514 1.00 1.00 H new ATOM 834 N ASN A 53 1.085 26.697 -16.744 1.00 1.00 N ATOM 835 CA ASN A 53 1.282 27.235 -18.079 1.00 1.00 C ATOM 836 C ASN A 53 0.358 26.508 -19.059 1.00 1.00 C ATOM 837 O ASN A 53 0.842 25.623 -19.780 1.00 1.00 O ATOM 838 CB ASN A 53 2.724 27.029 -18.548 1.00 1.00 C ATOM 839 CG ASN A 53 2.843 27.231 -20.060 1.00 1.00 C ATOM 840 OD1 ASN A 53 2.495 28.266 -20.604 1.00 1.00 O ATOM 841 ND2 ASN A 53 3.352 26.187 -20.707 1.00 1.00 N ATOM 0 H ASN A 53 0.541 25.835 -16.716 1.00 1.00 H new ATOM 0 HA ASN A 53 1.061 28.302 -18.049 1.00 1.00 H new ATOM 0 HB2 ASN A 53 3.382 27.728 -18.031 1.00 1.00 H new ATOM 0 HB3 ASN A 53 3.056 26.025 -18.284 1.00 1.00 H new ATOM 0 HD21 ASN A 53 3.471 26.223 -21.719 1.00 1.00 H new ATOM 0 HD22 ASN A 53 3.623 25.350 -20.191 1.00 1.00 H new ATOM 848 N PHE A 54 -0.932 26.889 -19.065 1.00 1.00 N ATOM 849 CA PHE A 54 -1.910 26.278 -19.948 1.00 1.00 C ATOM 850 C PHE A 54 -1.933 27.034 -21.278 1.00 1.00 C ATOM 851 O PHE A 54 -1.061 27.890 -21.485 1.00 1.00 O ATOM 852 CB PHE A 54 -3.296 26.316 -19.274 1.00 1.00 C ATOM 853 CG PHE A 54 -3.347 25.676 -17.892 1.00 1.00 C ATOM 854 CD1 PHE A 54 -3.031 26.435 -16.741 1.00 1.00 C ATOM 855 CD2 PHE A 54 -3.705 24.315 -17.755 1.00 1.00 C ATOM 856 CE1 PHE A 54 -3.076 25.837 -15.464 1.00 1.00 C ATOM 857 CE2 PHE A 54 -3.750 23.719 -16.477 1.00 1.00 C ATOM 858 CZ PHE A 54 -3.435 24.479 -15.331 1.00 1.00 C ATOM 0 H PHE A 54 -1.310 27.620 -18.462 1.00 1.00 H new ATOM 0 HA PHE A 54 -1.644 25.239 -20.143 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -3.617 27.354 -19.191 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -4.014 25.811 -19.920 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -2.755 27.474 -16.840 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -3.945 23.730 -18.631 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -2.835 26.420 -14.587 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -4.026 22.680 -16.376 1.00 1.00 H new ATOM 0 HZ PHE A 54 -3.469 24.022 -14.353 1.00 1.00 H new ATOM 868 N GLU A 55 -2.914 26.708 -22.139 1.00 1.00 N ATOM 869 CA GLU A 55 -3.046 27.352 -23.435 1.00 1.00 C ATOM 870 C GLU A 55 -4.354 28.145 -23.474 1.00 1.00 C ATOM 871 O GLU A 55 -4.372 29.223 -24.086 1.00 1.00 O ATOM 872 CB GLU A 55 -2.987 26.335 -24.576 1.00 1.00 C ATOM 873 CG GLU A 55 -1.699 25.511 -24.510 1.00 1.00 C ATOM 874 CD GLU A 55 -1.317 24.979 -25.893 1.00 1.00 C ATOM 875 OE1 GLU A 55 -2.151 24.985 -26.811 1.00 1.00 O ATOM 876 OE2 GLU A 55 -0.105 24.551 -25.996 1.00 1.00 O ATOM 0 H GLU A 55 -3.623 25.999 -21.949 1.00 1.00 H new ATOM 0 HA GLU A 55 -2.207 28.034 -23.574 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -3.850 25.672 -24.522 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -3.043 26.853 -25.533 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -0.889 26.126 -24.117 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -1.831 24.678 -23.820 1.00 1.00 H new ATOM 883 N THR A 56 -5.406 27.605 -22.832 1.00 1.00 N ATOM 884 CA THR A 56 -6.703 28.258 -22.795 1.00 1.00 C ATOM 885 C THR A 56 -7.102 28.508 -21.339 1.00 1.00 C ATOM 886 O THR A 56 -6.692 27.723 -20.472 1.00 1.00 O ATOM 887 CB THR A 56 -7.707 27.394 -23.559 1.00 1.00 C ATOM 888 OG1 THR A 56 -7.173 26.076 -23.467 1.00 1.00 O ATOM 889 CG2 THR A 56 -7.711 27.689 -25.061 1.00 1.00 C ATOM 0 H THR A 56 -5.371 26.715 -22.334 1.00 1.00 H new ATOM 0 HA THR A 56 -6.675 29.232 -23.283 1.00 1.00 H new ATOM 0 HB THR A 56 -8.706 27.556 -23.154 1.00 1.00 H new ATOM 0 HG1 THR A 56 -7.795 25.441 -23.880 1.00 1.00 H new ATOM 0 HG21 THR A 56 -8.441 27.048 -25.556 1.00 1.00 H new ATOM 0 HG22 THR A 56 -7.974 28.734 -25.226 1.00 1.00 H new ATOM 0 HG23 THR A 56 -6.720 27.495 -25.473 1.00 1.00 H new ATOM 897 N LEU A 57 -7.880 29.579 -21.103 1.00 1.00 N ATOM 898 CA LEU A 57 -8.328 29.927 -19.765 1.00 1.00 C ATOM 899 C LEU A 57 -9.205 28.799 -19.217 1.00 1.00 C ATOM 900 O LEU A 57 -9.005 28.407 -18.058 1.00 1.00 O ATOM 901 CB LEU A 57 -9.014 31.294 -19.767 1.00 1.00 C ATOM 902 CG LEU A 57 -9.355 31.876 -18.394 1.00 1.00 C ATOM 903 CD1 LEU A 57 -8.287 32.875 -17.942 1.00 1.00 C ATOM 904 CD2 LEU A 57 -10.755 32.493 -18.392 1.00 1.00 C ATOM 0 H LEU A 57 -8.207 30.214 -21.832 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.476 30.026 -19.092 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -8.369 32.001 -20.289 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -9.935 31.215 -20.345 1.00 1.00 H new ATOM 0 HG LEU A 57 -9.362 31.062 -17.670 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -8.553 33.274 -16.963 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -7.322 32.372 -17.879 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -8.224 33.691 -18.662 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -10.972 32.899 -17.404 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -10.801 33.293 -19.131 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -11.490 31.727 -18.639 1.00 1.00 H new ATOM 916 N GLU A 58 -10.143 28.309 -20.046 1.00 1.00 N ATOM 917 CA GLU A 58 -11.040 27.238 -19.647 1.00 1.00 C ATOM 918 C GLU A 58 -10.218 26.001 -19.278 1.00 1.00 C ATOM 919 O GLU A 58 -10.595 25.305 -18.324 1.00 1.00 O ATOM 920 CB GLU A 58 -12.054 26.915 -20.746 1.00 1.00 C ATOM 921 CG GLU A 58 -13.441 26.656 -20.153 1.00 1.00 C ATOM 922 CD GLU A 58 -14.478 26.441 -21.258 1.00 1.00 C ATOM 923 OE1 GLU A 58 -14.014 26.500 -22.460 1.00 1.00 O ATOM 924 OE2 GLU A 58 -15.664 26.231 -20.963 1.00 1.00 O ATOM 0 H GLU A 58 -10.291 28.646 -20.997 1.00 1.00 H new ATOM 0 HA GLU A 58 -11.609 27.565 -18.777 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -12.106 27.743 -21.453 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -11.724 26.039 -21.304 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -13.406 25.779 -19.506 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -13.738 27.500 -19.530 1.00 1.00 H new ATOM 931 N GLU A 59 -9.130 25.755 -20.030 1.00 1.00 N ATOM 932 CA GLU A 59 -8.266 24.613 -19.784 1.00 1.00 C ATOM 933 C GLU A 59 -7.531 24.812 -18.456 1.00 1.00 C ATOM 934 O GLU A 59 -7.456 23.853 -17.675 1.00 1.00 O ATOM 935 CB GLU A 59 -7.277 24.399 -20.931 1.00 1.00 C ATOM 936 CG GLU A 59 -6.888 22.924 -21.052 1.00 1.00 C ATOM 937 CD GLU A 59 -6.012 22.688 -22.284 1.00 1.00 C ATOM 938 OE1 GLU A 59 -6.658 22.450 -23.375 1.00 1.00 O ATOM 939 OE2 GLU A 59 -4.777 22.731 -22.184 1.00 1.00 O ATOM 0 H GLU A 59 -8.838 26.340 -20.812 1.00 1.00 H new ATOM 0 HA GLU A 59 -8.881 23.715 -19.724 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -7.721 24.740 -21.867 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -6.384 25.002 -20.763 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -6.353 22.610 -20.155 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -7.787 22.311 -21.118 1.00 1.00 H new ATOM 946 N CYS A 60 -7.012 26.032 -18.232 1.00 1.00 N ATOM 947 CA CYS A 60 -6.292 26.350 -17.011 1.00 1.00 C ATOM 948 C CYS A 60 -7.253 26.276 -15.823 1.00 1.00 C ATOM 949 O CYS A 60 -6.802 25.929 -14.721 1.00 1.00 O ATOM 950 CB CYS A 60 -5.612 27.717 -17.111 1.00 1.00 C ATOM 951 SG CYS A 60 -4.919 28.340 -15.551 1.00 1.00 S ATOM 0 H CYS A 60 -7.084 26.808 -18.890 1.00 1.00 H new ATOM 0 HA CYS A 60 -5.498 25.618 -16.860 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -4.812 27.656 -17.849 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -6.336 28.441 -17.485 1.00 1.00 H new ATOM 957 N LYS A 61 -8.536 26.597 -16.065 1.00 1.00 N ATOM 958 CA LYS A 61 -9.547 26.567 -15.022 1.00 1.00 C ATOM 959 C LYS A 61 -10.013 25.125 -14.811 1.00 1.00 C ATOM 960 O LYS A 61 -10.231 24.740 -13.653 1.00 1.00 O ATOM 961 CB LYS A 61 -10.683 27.538 -15.350 1.00 1.00 C ATOM 962 CG LYS A 61 -10.317 28.967 -14.943 1.00 1.00 C ATOM 963 CD LYS A 61 -11.571 29.830 -14.786 1.00 1.00 C ATOM 964 CE LYS A 61 -11.218 31.215 -14.241 1.00 1.00 C ATOM 965 NZ LYS A 61 -10.712 31.113 -12.862 1.00 1.00 N ATOM 0 H LYS A 61 -8.887 26.879 -16.980 1.00 1.00 H new ATOM 0 HA LYS A 61 -9.129 26.909 -14.075 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -10.898 27.504 -16.418 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -11.591 27.230 -14.832 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -9.762 28.951 -14.005 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -9.660 29.406 -15.694 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -12.070 29.931 -15.750 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -12.273 29.338 -14.113 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -10.466 31.682 -14.877 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -12.099 31.857 -14.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -10.461 32.060 -12.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -11.448 30.703 -12.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -9.869 30.504 -12.846 1.00 1.00 H new ATOM 979 N ASN A 62 -10.154 24.370 -15.915 1.00 1.00 N ATOM 980 CA ASN A 62 -10.590 22.985 -15.850 1.00 1.00 C ATOM 981 C ASN A 62 -9.616 22.189 -14.979 1.00 1.00 C ATOM 982 O ASN A 62 -10.082 21.421 -14.125 1.00 1.00 O ATOM 983 CB ASN A 62 -10.609 22.348 -17.241 1.00 1.00 C ATOM 984 CG ASN A 62 -11.795 21.394 -17.391 1.00 1.00 C ATOM 985 OD1 ASN A 62 -11.862 20.344 -16.774 1.00 1.00 O ATOM 986 ND2 ASN A 62 -12.725 21.816 -18.243 1.00 1.00 N ATOM 0 H ASN A 62 -9.969 24.707 -16.860 1.00 1.00 H new ATOM 0 HA ASN A 62 -11.596 22.967 -15.431 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -10.666 23.127 -18.001 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -9.678 21.806 -17.409 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -13.556 21.250 -18.412 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -12.607 22.706 -18.727 1.00 1.00 H new ATOM 993 N ILE A 63 -8.305 22.384 -15.208 1.00 1.00 N ATOM 994 CA ILE A 63 -7.280 21.689 -14.449 1.00 1.00 C ATOM 995 C ILE A 63 -7.142 22.340 -13.071 1.00 1.00 C ATOM 996 O ILE A 63 -6.951 21.607 -12.090 1.00 1.00 O ATOM 997 CB ILE A 63 -5.970 21.639 -15.239 1.00 1.00 C ATOM 998 CG1 ILE A 63 -6.031 20.572 -16.334 1.00 1.00 C ATOM 999 CG2 ILE A 63 -4.774 21.438 -14.307 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -6.574 21.155 -17.640 1.00 1.00 C ATOM 0 H ILE A 63 -7.942 23.021 -15.917 1.00 1.00 H new ATOM 0 HA ILE A 63 -7.567 20.650 -14.284 1.00 1.00 H new ATOM 0 HB ILE A 63 -5.833 22.600 -15.734 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -5.036 20.161 -16.502 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -6.666 19.748 -16.008 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.856 21.406 -14.894 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.722 22.264 -13.598 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -4.890 20.500 -13.764 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -6.607 20.375 -18.401 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -7.579 21.543 -17.475 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.924 21.963 -17.976 1.00 1.00 H new ATOM 1012 N CYS A 64 -7.240 23.681 -13.026 1.00 1.00 N ATOM 1013 CA CYS A 64 -7.127 24.419 -11.780 1.00 1.00 C ATOM 1014 C CYS A 64 -8.517 24.585 -11.162 1.00 1.00 C ATOM 1015 O CYS A 64 -8.900 23.743 -10.336 1.00 1.00 O ATOM 1016 CB CYS A 64 -6.434 25.766 -11.997 1.00 1.00 C ATOM 1017 SG CYS A 64 -4.803 25.665 -12.791 1.00 1.00 S ATOM 0 H CYS A 64 -7.398 24.266 -13.847 1.00 1.00 H new ATOM 0 HA CYS A 64 -6.504 23.857 -11.084 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -7.081 26.397 -12.606 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -6.323 26.261 -11.032 1.00 1.00 H new ATOM 1023 N GLU A 65 -9.233 25.649 -11.568 1.00 1.00 N ATOM 1024 CA GLU A 65 -10.567 25.919 -11.059 1.00 1.00 C ATOM 1025 C GLU A 65 -11.286 24.594 -10.798 1.00 1.00 C ATOM 1026 O GLU A 65 -12.079 24.531 -9.847 1.00 1.00 O ATOM 1027 CB GLU A 65 -11.368 26.799 -12.020 1.00 1.00 C ATOM 1028 CG GLU A 65 -11.326 28.265 -11.586 1.00 1.00 C ATOM 1029 CD GLU A 65 -12.738 28.819 -11.387 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -13.644 28.075 -10.982 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -12.878 30.070 -11.667 1.00 1.00 O ATOM 0 H GLU A 65 -8.899 26.331 -12.249 1.00 1.00 H new ATOM 0 HA GLU A 65 -10.479 26.471 -10.123 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -10.965 26.703 -13.028 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -12.402 26.456 -12.056 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -10.761 28.357 -10.658 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -10.802 28.856 -12.338 1.00 1.00 H new ATOM 1038 N ASP A 66 -11.002 23.580 -11.634 1.00 1.00 N ATOM 1039 CA ASP A 66 -11.618 22.271 -11.494 1.00 1.00 C ATOM 1040 C ASP A 66 -13.129 22.399 -11.700 1.00 1.00 C ATOM 1041 O ASP A 66 -13.624 23.534 -11.747 1.00 1.00 O ATOM 1042 CB ASP A 66 -11.378 21.696 -10.096 1.00 1.00 C ATOM 1043 CG ASP A 66 -12.396 22.125 -9.037 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -13.607 21.911 -9.192 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -11.893 22.711 -8.004 1.00 1.00 O ATOM 0 H ASP A 66 -10.347 23.653 -12.412 1.00 1.00 H new ATOM 0 HA ASP A 66 -11.175 21.608 -12.237 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -11.381 20.608 -10.162 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -10.383 21.993 -9.763 1.00 1.00 H new ATOM 1050 N GLY A 67 -13.820 21.250 -11.816 1.00 1.00 N ATOM 1051 CA GLY A 67 -15.259 21.235 -12.015 1.00 1.00 C ATOM 1052 C GLY A 67 -15.802 19.847 -11.666 1.00 1.00 C ATOM 1053 O GLY A 67 -15.015 18.889 -11.665 1.00 1.00 O ATOM 0 H GLY A 67 -13.393 20.325 -11.774 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -15.732 21.992 -11.389 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -15.498 21.482 -13.049 1.00 1.00 H new ATOM 1057 N PRO A 68 -17.114 19.768 -11.383 1.00 1.00 N ATOM 1058 CA PRO A 68 -17.786 18.528 -11.033 1.00 1.00 C ATOM 1059 C PRO A 68 -17.986 17.646 -12.267 1.00 1.00 C ATOM 1060 O PRO A 68 -18.090 18.195 -13.374 1.00 1.00 O ATOM 1061 CB PRO A 68 -19.096 18.958 -10.391 1.00 1.00 C ATOM 1062 CG PRO A 68 -19.319 20.398 -10.823 1.00 1.00 C ATOM 1063 CD PRO A 68 -18.014 20.918 -11.403 1.00 1.00 C ATOM 0 HA PRO A 68 -17.204 17.913 -10.346 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -19.918 18.321 -10.717 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -19.043 18.880 -9.305 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -20.116 20.455 -11.565 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -19.629 21.007 -9.974 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -18.153 21.294 -12.417 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -17.617 21.742 -10.809 1.00 1.00 H new ATOM 1071 N ASN A 69 -18.035 16.319 -12.057 1.00 1.00 N ATOM 1072 CA ASN A 69 -18.220 15.373 -13.144 1.00 1.00 C ATOM 1073 C ASN A 69 -17.092 15.546 -14.163 1.00 1.00 C ATOM 1074 O ASN A 69 -16.133 14.762 -14.120 1.00 1.00 O ATOM 1075 CB ASN A 69 -19.549 15.615 -13.864 1.00 1.00 C ATOM 1076 CG ASN A 69 -19.571 14.913 -15.223 1.00 1.00 C ATOM 1077 OD1 ASN A 69 -19.417 13.708 -15.332 1.00 1.00 O ATOM 1078 ND2 ASN A 69 -19.771 15.733 -16.251 1.00 1.00 N ATOM 0 H ASN A 69 -17.948 15.887 -11.137 1.00 1.00 H new ATOM 0 HA ASN A 69 -18.216 14.368 -12.721 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -20.372 15.251 -13.249 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -19.703 16.685 -14.001 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -19.803 15.362 -17.201 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -19.893 16.733 -16.090 1.00 1.00 H new ATOM 1085 N GLY A 70 -17.227 16.553 -15.045 1.00 1.00 N ATOM 1086 CA GLY A 70 -16.226 16.824 -16.063 1.00 1.00 C ATOM 1087 C GLY A 70 -14.841 16.861 -15.413 1.00 1.00 C ATOM 1088 O GLY A 70 -14.113 15.863 -15.521 1.00 1.00 O ATOM 0 H GLY A 70 -18.026 17.187 -15.064 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -16.258 16.055 -16.835 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -16.436 17.775 -16.552 1.00 1.00 H new ATOM 1092 N PHE A 71 -14.510 17.990 -14.763 1.00 1.00 N ATOM 1093 CA PHE A 71 -13.226 18.152 -14.104 1.00 1.00 C ATOM 1094 C PHE A 71 -12.124 18.254 -15.161 1.00 1.00 C ATOM 1095 O PHE A 71 -11.218 17.424 -15.198 1.00 1.00 O ATOM 1096 CB PHE A 71 -12.979 16.949 -13.172 1.00 1.00 C ATOM 1097 CG PHE A 71 -11.962 17.201 -12.067 1.00 1.00 C ATOM 1098 CD1 PHE A 71 -10.986 18.215 -12.210 1.00 1.00 C ATOM 1099 CD2 PHE A 71 -11.985 16.416 -10.891 1.00 1.00 C ATOM 1100 CE1 PHE A 71 -10.042 18.442 -11.186 1.00 1.00 C ATOM 1101 CE2 PHE A 71 -11.041 16.644 -9.866 1.00 1.00 C ATOM 1102 CZ PHE A 71 -10.070 17.657 -10.014 1.00 1.00 C ATOM 0 H PHE A 71 -15.125 18.800 -14.686 1.00 1.00 H new ATOM 0 HA PHE A 71 -13.222 19.064 -13.507 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -13.926 16.658 -12.717 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -12.642 16.104 -13.773 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -10.963 18.818 -13.106 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -12.727 15.640 -10.776 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -9.298 19.217 -11.299 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -11.062 16.043 -8.969 1.00 1.00 H new ATOM 0 HZ PHE A 71 -9.348 17.832 -9.230 1.00 1.00 H new TER 1112 PHE A 71