USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 662 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 45 ASN : amide:sc= 0.393 K(o=0.81,f=-1.7) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 177:sc= 0.416 (180deg=0) USER MOD Set 2.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.209 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.891 K(o=0.89,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.473 K(o=0.47,f=-1.5!) USER MOD Single : A 31 ASN : amide:sc= 0.29 K(o=0.29,f=-3.8!) USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.0105 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 173:sc= 1.14 USER MOD Single : A 53 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.23) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 63 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.98) USER MOD Single : A 67 THR OG1 : rot 92:sc= 1.16 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= 0.26 (180deg=0.0744) USER MOD Single : A 91 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.56) USER MOD Single : A 95 TYR OH : rot -40:sc= 0.0446 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.741 -1.963 -4.835 1.00 0.00 N ATOM 30 CA ASP A 3 4.809 -1.399 -6.210 1.00 0.00 C ATOM 31 C ASP A 3 6.290 -1.443 -6.723 1.00 0.00 C ATOM 32 O ASP A 3 7.065 -0.547 -6.368 1.00 0.00 O ATOM 33 CB ASP A 3 4.215 0.037 -6.225 1.00 0.00 C ATOM 34 CG ASP A 3 2.718 0.134 -5.932 1.00 0.00 C ATOM 35 OD1 ASP A 3 1.959 -0.247 -6.995 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.254 0.511 -4.861 1.00 0.00 O ATOM 0 HA ASP A 3 4.208 -2.000 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.751 0.640 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.405 0.480 -7.203 1.00 0.00 H new ATOM 41 N PRO A 4 6.744 -2.417 -7.570 1.00 0.00 N ATOM 42 CA PRO A 4 8.157 -2.470 -8.054 1.00 0.00 C ATOM 43 C PRO A 4 8.614 -1.360 -9.065 1.00 0.00 C ATOM 44 O PRO A 4 9.799 -1.025 -9.101 1.00 0.00 O ATOM 45 CB PRO A 4 8.250 -3.911 -8.590 1.00 0.00 C ATOM 46 CG PRO A 4 6.832 -4.280 -9.033 1.00 0.00 C ATOM 47 CD PRO A 4 5.909 -3.526 -8.072 1.00 0.00 C ATOM 0 HA PRO A 4 8.865 -2.240 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.950 -3.974 -9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.610 -4.593 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.652 -3.985 -10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.668 -5.356 -8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.019 -3.156 -8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.568 -4.168 -7.260 1.00 0.00 H new ATOM 55 N ALA A 5 7.682 -0.736 -9.812 1.00 0.00 N ATOM 56 CA ALA A 5 7.926 0.559 -10.513 1.00 0.00 C ATOM 57 C ALA A 5 8.191 1.819 -9.612 1.00 0.00 C ATOM 58 O ALA A 5 8.918 2.723 -10.029 1.00 0.00 O ATOM 59 CB ALA A 5 6.726 0.776 -11.453 1.00 0.00 C ATOM 0 H ALA A 5 6.742 -1.105 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 5 8.874 0.467 -11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.852 1.714 -11.994 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.667 -0.048 -12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.808 0.816 -10.867 1.00 0.00 H new ATOM 65 N ALA A 6 7.655 1.871 -8.378 1.00 0.00 N ATOM 66 CA ALA A 6 8.174 2.781 -7.317 1.00 0.00 C ATOM 67 C ALA A 6 9.482 2.307 -6.590 1.00 0.00 C ATOM 68 O ALA A 6 10.323 3.141 -6.247 1.00 0.00 O ATOM 69 CB ALA A 6 7.015 3.022 -6.336 1.00 0.00 C ATOM 0 H ALA A 6 6.864 1.298 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 6 8.502 3.705 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.346 3.685 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.180 3.480 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.696 2.071 -5.909 1.00 0.00 H new ATOM 75 N GLY A 7 9.680 0.991 -6.377 1.00 0.00 N ATOM 76 CA GLY A 7 10.947 0.436 -5.827 1.00 0.00 C ATOM 77 C GLY A 7 12.233 0.504 -6.687 1.00 0.00 C ATOM 78 O GLY A 7 13.326 0.483 -6.124 1.00 0.00 O ATOM 0 H GLY A 7 8.975 0.281 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.151 0.951 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.769 -0.611 -5.584 1.00 0.00 H new ATOM 82 N GLU A 8 12.119 0.603 -8.021 1.00 0.00 N ATOM 83 CA GLU A 8 13.282 0.814 -8.940 1.00 0.00 C ATOM 84 C GLU A 8 14.032 2.177 -8.798 1.00 0.00 C ATOM 85 O GLU A 8 15.264 2.224 -8.794 1.00 0.00 O ATOM 86 CB GLU A 8 12.842 0.489 -10.398 1.00 0.00 C ATOM 87 CG GLU A 8 11.876 1.437 -11.160 1.00 0.00 C ATOM 88 CD GLU A 8 12.502 2.628 -11.887 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.360 2.243 -12.873 1.00 0.00 O ATOM 90 OE2 GLU A 8 12.247 3.799 -11.630 1.00 0.00 O ATOM 0 H GLU A 8 11.224 0.541 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 8 14.058 0.114 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.749 0.405 -10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.378 -0.497 -10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.327 0.844 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.146 1.821 -10.447 1.00 0.00 H new ATOM 97 N LYS A 9 13.274 3.269 -8.639 1.00 0.00 N ATOM 98 CA LYS A 9 13.812 4.610 -8.270 1.00 0.00 C ATOM 99 C LYS A 9 14.316 4.746 -6.791 1.00 0.00 C ATOM 100 O LYS A 9 15.338 5.399 -6.565 1.00 0.00 O ATOM 101 CB LYS A 9 12.826 5.724 -8.720 1.00 0.00 C ATOM 102 CG LYS A 9 11.335 5.550 -8.345 1.00 0.00 C ATOM 103 CD LYS A 9 10.496 6.808 -8.639 1.00 0.00 C ATOM 104 CE LYS A 9 9.003 6.591 -8.353 1.00 0.00 C ATOM 105 NZ LYS A 9 8.258 7.843 -8.591 1.00 0.00 N ATOM 0 H LYS A 9 12.261 3.260 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 9 14.739 4.742 -8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.171 6.669 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.892 5.814 -9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.922 4.706 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.257 5.306 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.863 7.637 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.626 7.093 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.613 5.799 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.865 6.266 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.248 7.689 -8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.622 8.588 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.378 8.135 -9.582 1.00 0.00 H new ATOM 118 N VAL A 10 13.689 4.067 -5.807 1.00 0.00 N ATOM 119 CA VAL A 10 14.317 3.799 -4.469 1.00 0.00 C ATOM 120 C VAL A 10 15.646 2.949 -4.563 1.00 0.00 C ATOM 121 O VAL A 10 16.637 3.312 -3.924 1.00 0.00 O ATOM 122 CB VAL A 10 13.270 3.205 -3.459 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.843 3.024 -2.035 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.982 4.048 -3.284 1.00 0.00 C ATOM 0 H VAL A 10 12.747 3.689 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 10 14.635 4.761 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 10 13.026 2.250 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.074 2.611 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.694 2.344 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.166 3.990 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.321 3.558 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.244 5.040 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.474 4.139 -4.244 1.00 0.00 H new ATOM 134 N PHE A 11 15.709 1.876 -5.383 1.00 0.00 N ATOM 135 CA PHE A 11 16.986 1.182 -5.731 1.00 0.00 C ATOM 136 C PHE A 11 18.098 2.036 -6.436 1.00 0.00 C ATOM 137 O PHE A 11 19.277 1.698 -6.301 1.00 0.00 O ATOM 138 CB PHE A 11 16.644 -0.101 -6.537 1.00 0.00 C ATOM 139 CG PHE A 11 17.807 -1.101 -6.672 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.161 -1.906 -5.587 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.535 -1.194 -7.863 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.223 -2.801 -5.691 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.597 -2.092 -7.967 1.00 0.00 C ATOM 144 CZ PHE A 11 19.944 -2.889 -6.878 1.00 0.00 C ATOM 0 H PHE A 11 14.887 1.463 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 11 17.460 0.946 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.804 -0.603 -6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.314 0.189 -7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.608 -1.834 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.274 -0.569 -8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.487 -3.426 -4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.150 -2.170 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 11 20.774 -3.576 -6.955 1.00 0.00 H new ATOM 154 N GLY A 12 17.771 3.161 -7.099 1.00 0.00 N ATOM 155 CA GLY A 12 18.778 4.205 -7.447 1.00 0.00 C ATOM 156 C GLY A 12 19.705 4.768 -6.325 1.00 0.00 C ATOM 157 O GLY A 12 20.855 5.118 -6.590 1.00 0.00 O ATOM 0 H GLY A 12 16.823 3.378 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.419 3.796 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.241 5.047 -7.883 1.00 0.00 H new ATOM 161 N LYS A 13 19.211 4.797 -5.078 1.00 0.00 N ATOM 162 CA LYS A 13 20.045 4.983 -3.849 1.00 0.00 C ATOM 163 C LYS A 13 21.041 3.803 -3.541 1.00 0.00 C ATOM 164 O LYS A 13 22.178 4.041 -3.128 1.00 0.00 O ATOM 165 CB LYS A 13 19.097 5.181 -2.627 1.00 0.00 C ATOM 166 CG LYS A 13 18.068 6.337 -2.682 1.00 0.00 C ATOM 167 CD LYS A 13 17.017 6.229 -1.555 1.00 0.00 C ATOM 168 CE LYS A 13 15.853 7.230 -1.657 1.00 0.00 C ATOM 169 NZ LYS A 13 16.269 8.592 -1.263 1.00 0.00 N ATOM 0 H LYS A 13 18.216 4.693 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 13 20.669 5.857 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.547 4.252 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.718 5.329 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.589 7.291 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.565 6.329 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.609 5.218 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.517 6.372 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.475 7.246 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.033 6.901 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.459 9.239 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.606 8.581 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.035 8.916 -1.888 1.00 0.00 H new ATOM 182 N CYS A 14 20.598 2.544 -3.714 1.00 0.00 N ATOM 183 CA CYS A 14 21.426 1.330 -3.508 1.00 0.00 C ATOM 184 C CYS A 14 22.475 1.014 -4.628 1.00 0.00 C ATOM 185 O CYS A 14 23.589 0.590 -4.306 1.00 0.00 O ATOM 186 CB CYS A 14 20.451 0.139 -3.330 1.00 0.00 C ATOM 187 SG CYS A 14 18.924 0.533 -2.428 1.00 0.00 S ATOM 0 H CYS A 14 19.643 2.333 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 14 22.043 1.511 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.186 -0.245 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.970 -0.662 -2.804 1.00 0.00 H new ATOM 0 HG CYS A 14 18.184 -0.533 -2.340 1.00 0.00 H new ATOM 192 N LYS A 15 22.126 1.191 -5.923 1.00 0.00 N ATOM 193 CA LYS A 15 22.969 0.736 -7.075 1.00 0.00 C ATOM 194 C LYS A 15 24.405 1.333 -7.268 1.00 0.00 C ATOM 195 O LYS A 15 25.241 0.696 -7.914 1.00 0.00 O ATOM 196 CB LYS A 15 22.141 0.782 -8.388 1.00 0.00 C ATOM 197 CG LYS A 15 21.842 2.182 -8.977 1.00 0.00 C ATOM 198 CD LYS A 15 21.109 2.188 -10.337 1.00 0.00 C ATOM 199 CE LYS A 15 19.733 1.499 -10.347 1.00 0.00 C ATOM 200 NZ LYS A 15 19.059 1.709 -11.641 1.00 0.00 N ATOM 0 H LYS A 15 21.260 1.649 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 15 23.225 -0.284 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.670 0.202 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.191 0.279 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.242 2.739 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.784 2.719 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.981 3.222 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.746 1.702 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.853 0.432 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.116 1.895 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.132 1.237 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.927 2.728 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.641 1.310 -12.405 1.00 0.00 H new ATOM 213 N ALA A 16 24.707 2.516 -6.703 1.00 0.00 N ATOM 214 CA ALA A 16 26.107 3.011 -6.575 1.00 0.00 C ATOM 215 C ALA A 16 27.070 2.141 -5.694 1.00 0.00 C ATOM 216 O ALA A 16 28.255 2.030 -6.018 1.00 0.00 O ATOM 217 CB ALA A 16 26.011 4.463 -6.069 1.00 0.00 C ATOM 0 H ALA A 16 24.006 3.154 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 16 26.579 2.943 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.013 4.876 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.450 5.062 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.502 4.480 -5.105 1.00 0.00 H new ATOM 223 N CYS A 17 26.562 1.518 -4.614 1.00 0.00 N ATOM 224 CA CYS A 17 27.303 0.482 -3.852 1.00 0.00 C ATOM 225 C CYS A 17 27.016 -1.001 -4.279 1.00 0.00 C ATOM 226 O CYS A 17 27.967 -1.778 -4.406 1.00 0.00 O ATOM 227 CB CYS A 17 26.988 0.700 -2.360 1.00 0.00 C ATOM 228 SG CYS A 17 27.330 2.396 -1.804 1.00 0.00 S ATOM 0 H CYS A 17 25.632 1.713 -4.243 1.00 0.00 H new ATOM 0 HA CYS A 17 28.363 0.608 -4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.939 0.468 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.576 0.002 -1.764 1.00 0.00 H new ATOM 0 HG CYS A 17 27.040 2.506 -0.542 1.00 0.00 H new ATOM 233 N HIS A 18 25.736 -1.407 -4.423 1.00 0.00 N ATOM 234 CA HIS A 18 25.331 -2.827 -4.635 1.00 0.00 C ATOM 235 C HIS A 18 25.013 -3.156 -6.127 1.00 0.00 C ATOM 236 O HIS A 18 24.298 -2.411 -6.802 1.00 0.00 O ATOM 237 CB HIS A 18 24.045 -3.108 -3.809 1.00 0.00 C ATOM 238 CG HIS A 18 24.205 -3.233 -2.300 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.517 -4.412 -1.674 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.860 -2.269 -1.347 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.319 -4.074 -0.374 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.853 -2.806 -0.046 1.00 0.00 N ATOM 0 H HIS A 18 24.946 -0.762 -4.396 1.00 0.00 H new ATOM 0 HA HIS A 18 26.171 -3.447 -4.323 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.333 -2.307 -4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.599 -4.031 -4.180 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.816 -5.301 -2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.628 -1.240 -1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.524 -4.792 0.407 1.00 0.00 H new ATOM 250 N LYS A 19 25.420 -4.347 -6.599 1.00 0.00 N ATOM 251 CA LYS A 19 24.875 -4.934 -7.862 1.00 0.00 C ATOM 252 C LYS A 19 23.792 -6.029 -7.559 1.00 0.00 C ATOM 253 O LYS A 19 23.676 -6.570 -6.455 1.00 0.00 O ATOM 254 CB LYS A 19 26.012 -5.501 -8.766 1.00 0.00 C ATOM 255 CG LYS A 19 27.206 -4.562 -9.063 1.00 0.00 C ATOM 256 CD LYS A 19 28.258 -5.202 -9.986 1.00 0.00 C ATOM 257 CE LYS A 19 29.474 -4.283 -10.179 1.00 0.00 C ATOM 258 NZ LYS A 19 30.450 -4.900 -11.096 1.00 0.00 N ATOM 0 H LYS A 19 26.119 -4.928 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 19 24.389 -4.129 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.400 -6.405 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.571 -5.800 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.835 -3.646 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.680 -4.277 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.583 -6.153 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.809 -5.420 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.150 -3.321 -10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.945 -4.087 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.265 -4.265 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.772 -5.807 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.002 -5.065 -12.020 1.00 0.00 H new ATOM 271 N LEU A 20 23.013 -6.405 -8.581 1.00 0.00 N ATOM 272 CA LEU A 20 22.250 -7.695 -8.584 1.00 0.00 C ATOM 273 C LEU A 20 22.978 -8.870 -9.313 1.00 0.00 C ATOM 274 O LEU A 20 22.809 -10.024 -8.909 1.00 0.00 O ATOM 275 CB LEU A 20 20.823 -7.433 -9.150 1.00 0.00 C ATOM 276 CG LEU A 20 19.898 -6.527 -8.286 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.745 -5.953 -9.129 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.307 -7.269 -7.081 1.00 0.00 C ATOM 0 H LEU A 20 22.883 -5.846 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 20 22.177 -8.040 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.923 -6.979 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.328 -8.394 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 20 20.528 -5.718 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.114 -5.324 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.153 -5.358 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.151 -6.770 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.670 -6.591 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.716 -8.116 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.115 -7.628 -6.443 1.00 0.00 H new ATOM 290 N ASP A 21 23.789 -8.618 -10.359 1.00 0.00 N ATOM 291 CA ASP A 21 24.292 -9.691 -11.265 1.00 0.00 C ATOM 292 C ASP A 21 25.652 -10.301 -10.795 1.00 0.00 C ATOM 293 O ASP A 21 26.689 -10.158 -11.453 1.00 0.00 O ATOM 294 CB ASP A 21 24.326 -9.141 -12.719 1.00 0.00 C ATOM 295 CG ASP A 21 22.966 -8.791 -13.328 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.252 -9.898 -13.671 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.562 -7.643 -13.478 1.00 0.00 O ATOM 0 H ASP A 21 24.115 -7.683 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 21 23.605 -10.536 -11.232 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.952 -8.249 -12.736 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.809 -9.881 -13.357 1.00 0.00 H new ATOM 302 N GLY A 22 25.634 -11.025 -9.660 1.00 0.00 N ATOM 303 CA GLY A 22 26.765 -11.919 -9.264 1.00 0.00 C ATOM 304 C GLY A 22 28.035 -11.306 -8.618 1.00 0.00 C ATOM 305 O GLY A 22 28.525 -11.833 -7.618 1.00 0.00 O ATOM 0 H GLY A 22 24.859 -11.016 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.369 -12.658 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.081 -12.460 -10.156 1.00 0.00 H new ATOM 309 N ASN A 23 28.590 -10.232 -9.197 1.00 0.00 N ATOM 310 CA ASN A 23 29.723 -9.473 -8.587 1.00 0.00 C ATOM 311 C ASN A 23 29.222 -8.404 -7.554 1.00 0.00 C ATOM 312 O ASN A 23 28.052 -8.017 -7.529 1.00 0.00 O ATOM 313 CB ASN A 23 30.594 -8.808 -9.688 1.00 0.00 C ATOM 314 CG ASN A 23 31.254 -9.739 -10.710 1.00 0.00 C ATOM 315 OD1 ASN A 23 32.312 -10.309 -10.472 1.00 0.00 O ATOM 316 ND2 ASN A 23 30.674 -9.917 -11.873 1.00 0.00 N ATOM 0 H ASN A 23 28.279 -9.857 -10.093 1.00 0.00 H new ATOM 0 HA ASN A 23 30.338 -10.189 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 23 29.970 -8.098 -10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 31.379 -8.233 -9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 23 31.104 -10.526 -12.570 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.793 -9.447 -12.081 1.00 0.00 H new ATOM 323 N ASP A 24 30.131 -7.929 -6.691 1.00 0.00 N ATOM 324 CA ASP A 24 29.760 -7.134 -5.478 1.00 0.00 C ATOM 325 C ASP A 24 30.017 -5.605 -5.684 1.00 0.00 C ATOM 326 O ASP A 24 29.082 -4.871 -6.013 1.00 0.00 O ATOM 327 CB ASP A 24 30.411 -7.782 -4.213 1.00 0.00 C ATOM 328 CG ASP A 24 30.033 -9.242 -3.918 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.698 -9.471 -4.047 1.00 0.00 O ATOM 330 OD2 ASP A 24 30.848 -10.115 -3.632 1.00 0.00 O ATOM 0 H ASP A 24 31.135 -8.074 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 24 28.685 -7.176 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.494 -7.725 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.144 -7.179 -3.345 1.00 0.00 H new ATOM 335 N GLY A 25 31.265 -5.133 -5.508 1.00 0.00 N ATOM 336 CA GLY A 25 31.624 -3.694 -5.651 1.00 0.00 C ATOM 337 C GLY A 25 32.000 -3.059 -4.298 1.00 0.00 C ATOM 338 O GLY A 25 33.033 -3.407 -3.721 1.00 0.00 O ATOM 0 H GLY A 25 32.056 -5.729 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 25 32.460 -3.595 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 25 30.784 -3.152 -6.086 1.00 0.00 H new ATOM 342 N VAL A 26 31.146 -2.166 -3.779 1.00 0.00 N ATOM 343 CA VAL A 26 31.179 -1.777 -2.327 1.00 0.00 C ATOM 344 C VAL A 26 30.238 -2.730 -1.516 1.00 0.00 C ATOM 345 O VAL A 26 30.699 -3.402 -0.590 1.00 0.00 O ATOM 346 CB VAL A 26 30.870 -0.252 -2.096 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.851 0.170 -0.606 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.845 0.704 -2.813 1.00 0.00 C ATOM 0 H VAL A 26 30.423 -1.693 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 26 32.195 -1.904 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 26 29.872 -0.158 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.631 1.235 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.084 -0.396 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.824 -0.031 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.563 1.736 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.859 0.525 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.803 0.528 -3.888 1.00 0.00 H new ATOM 358 N GLY A 27 28.932 -2.765 -1.844 1.00 0.00 N ATOM 359 CA GLY A 27 27.970 -3.661 -1.177 1.00 0.00 C ATOM 360 C GLY A 27 27.850 -5.090 -1.787 1.00 0.00 C ATOM 361 O GLY A 27 27.923 -5.233 -3.013 1.00 0.00 O ATOM 0 H GLY A 27 28.519 -2.180 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.254 -3.755 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 27 26.987 -3.191 -1.200 1.00 0.00 H new ATOM 365 N PRO A 28 27.600 -6.168 -0.991 1.00 0.00 N ATOM 366 CA PRO A 28 27.385 -7.540 -1.518 1.00 0.00 C ATOM 367 C PRO A 28 26.046 -7.735 -2.296 1.00 0.00 C ATOM 368 O PRO A 28 25.005 -7.171 -1.950 1.00 0.00 O ATOM 369 CB PRO A 28 27.444 -8.381 -0.230 1.00 0.00 C ATOM 370 CG PRO A 28 26.982 -7.452 0.885 1.00 0.00 C ATOM 371 CD PRO A 28 27.493 -6.088 0.471 1.00 0.00 C ATOM 0 HA PRO A 28 28.121 -7.815 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.799 -9.257 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.455 -8.744 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.896 -7.457 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.391 -7.754 1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.808 -5.297 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.458 -5.869 0.929 1.00 0.00 H new ATOM 379 N HIS A 29 26.088 -8.544 -3.359 1.00 0.00 N ATOM 380 CA HIS A 29 25.009 -8.592 -4.378 1.00 0.00 C ATOM 381 C HIS A 29 23.611 -9.101 -3.881 1.00 0.00 C ATOM 382 O HIS A 29 23.503 -10.086 -3.137 1.00 0.00 O ATOM 383 CB HIS A 29 25.558 -9.322 -5.632 1.00 0.00 C ATOM 384 CG HIS A 29 25.733 -10.840 -5.560 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.841 -11.500 -5.043 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.819 -11.749 -6.094 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.478 -12.790 -5.346 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.279 -13.042 -5.950 1.00 0.00 N ATOM 0 H HIS A 29 26.860 -9.184 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 29 24.754 -7.565 -4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.891 -9.102 -6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.527 -8.885 -5.875 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.673 -11.136 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.881 -11.478 -6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.142 -13.607 -5.106 1.00 0.00 H new ATOM 396 N LEU A 30 22.534 -8.401 -4.279 1.00 0.00 N ATOM 397 CA LEU A 30 21.204 -8.534 -3.609 1.00 0.00 C ATOM 398 C LEU A 30 20.144 -9.429 -4.346 1.00 0.00 C ATOM 399 O LEU A 30 18.961 -9.381 -3.994 1.00 0.00 O ATOM 400 CB LEU A 30 20.689 -7.093 -3.306 1.00 0.00 C ATOM 401 CG LEU A 30 21.507 -6.199 -2.328 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.858 -4.808 -2.226 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.660 -6.782 -0.911 1.00 0.00 C ATOM 0 H LEU A 30 22.546 -7.739 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 30 21.351 -9.098 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.614 -6.562 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.678 -7.180 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 30 22.510 -6.142 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.435 -4.187 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.841 -4.342 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.838 -4.909 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.242 -6.096 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.675 -6.920 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.171 -7.743 -0.966 1.00 0.00 H new ATOM 415 N ASN A 31 20.556 -10.282 -5.310 1.00 0.00 N ATOM 416 CA ASN A 31 19.643 -11.199 -6.060 1.00 0.00 C ATOM 417 C ASN A 31 18.918 -12.265 -5.166 1.00 0.00 C ATOM 418 O ASN A 31 19.496 -13.277 -4.751 1.00 0.00 O ATOM 419 CB ASN A 31 20.363 -11.809 -7.296 1.00 0.00 C ATOM 420 CG ASN A 31 21.562 -12.751 -7.113 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.970 -13.133 -6.018 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.189 -13.135 -8.200 1.00 0.00 N ATOM 0 H ASN A 31 21.532 -10.361 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 31 18.823 -10.584 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.612 -12.352 -7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.699 -10.977 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.005 -13.743 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 31 21.861 -12.825 -9.115 1.00 0.00 H new ATOM 429 N GLY A 32 17.665 -11.970 -4.786 1.00 0.00 N ATOM 430 CA GLY A 32 16.964 -12.720 -3.712 1.00 0.00 C ATOM 431 C GLY A 32 17.492 -12.556 -2.267 1.00 0.00 C ATOM 432 O GLY A 32 17.491 -13.531 -1.516 1.00 0.00 O ATOM 0 H GLY A 32 17.111 -11.221 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.915 -12.423 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.998 -13.780 -3.964 1.00 0.00 H new ATOM 436 N VAL A 33 17.894 -11.338 -1.859 1.00 0.00 N ATOM 437 CA VAL A 33 18.190 -11.009 -0.422 1.00 0.00 C ATOM 438 C VAL A 33 16.972 -11.179 0.572 1.00 0.00 C ATOM 439 O VAL A 33 17.174 -11.539 1.734 1.00 0.00 O ATOM 440 CB VAL A 33 18.900 -9.620 -0.305 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.000 -8.407 -0.621 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.561 -9.411 1.078 1.00 0.00 C ATOM 0 H VAL A 33 18.026 -10.552 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 33 18.888 -11.773 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 33 19.667 -9.662 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.577 -7.488 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.629 -8.486 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.158 -8.389 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.040 -8.432 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.801 -9.467 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.309 -10.186 1.245 1.00 0.00 H new ATOM 452 N VAL A 34 15.725 -10.947 0.111 1.00 0.00 N ATOM 453 CA VAL A 34 14.475 -11.216 0.883 1.00 0.00 C ATOM 454 C VAL A 34 14.286 -12.770 1.028 1.00 0.00 C ATOM 455 O VAL A 34 13.932 -13.454 0.063 1.00 0.00 O ATOM 456 CB VAL A 34 13.246 -10.519 0.188 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.963 -10.624 1.044 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.419 -9.019 -0.167 1.00 0.00 C ATOM 0 H VAL A 34 15.547 -10.563 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 34 14.549 -10.793 1.885 1.00 0.00 H new ATOM 0 HB VAL A 34 13.170 -11.076 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.140 -10.130 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.715 -11.674 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.128 -10.142 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.509 -8.650 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.612 -8.450 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.258 -8.902 -0.853 1.00 0.00 H new ATOM 468 N GLY A 35 14.592 -13.320 2.215 1.00 0.00 N ATOM 469 CA GLY A 35 14.817 -14.790 2.381 1.00 0.00 C ATOM 470 C GLY A 35 16.266 -15.354 2.313 1.00 0.00 C ATOM 471 O GLY A 35 16.437 -16.560 2.503 1.00 0.00 O ATOM 0 H GLY A 35 14.692 -12.784 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.399 -15.078 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.232 -15.299 1.615 1.00 0.00 H new ATOM 475 N ARG A 36 17.300 -14.528 2.080 1.00 0.00 N ATOM 476 CA ARG A 36 18.731 -14.923 2.237 1.00 0.00 C ATOM 477 C ARG A 36 19.180 -14.776 3.730 1.00 0.00 C ATOM 478 O ARG A 36 18.654 -13.926 4.457 1.00 0.00 O ATOM 479 CB ARG A 36 19.509 -13.952 1.300 1.00 0.00 C ATOM 480 CG ARG A 36 21.014 -14.201 1.038 1.00 0.00 C ATOM 481 CD ARG A 36 21.789 -12.946 0.552 1.00 0.00 C ATOM 482 NE ARG A 36 21.808 -12.377 -0.837 1.00 0.00 N ATOM 483 CZ ARG A 36 21.433 -12.941 -1.983 1.00 0.00 C ATOM 484 NH1 ARG A 36 20.660 -13.981 -2.075 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.842 -12.396 -3.091 1.00 0.00 N ATOM 0 H ARG A 36 17.178 -13.562 1.776 1.00 0.00 H new ATOM 0 HA ARG A 36 18.914 -15.965 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.003 -13.952 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.409 -12.948 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.476 -14.567 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.116 -14.989 0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.452 -12.132 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.833 -13.137 0.801 1.00 0.00 H new ATOM 0 HE ARG A 36 22.158 -11.422 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 36 20.296 -14.422 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 36 20.417 -14.356 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.431 -11.563 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.574 -12.801 -3.988 1.00 0.00 H new ATOM 499 N THR A 37 20.200 -15.533 4.188 1.00 0.00 N ATOM 500 CA THR A 37 20.848 -15.273 5.516 1.00 0.00 C ATOM 501 C THR A 37 21.380 -13.808 5.694 1.00 0.00 C ATOM 502 O THR A 37 21.796 -13.144 4.736 1.00 0.00 O ATOM 503 CB THR A 37 21.943 -16.330 5.857 1.00 0.00 C ATOM 504 OG1 THR A 37 22.285 -16.255 7.237 1.00 0.00 O ATOM 505 CG2 THR A 37 23.266 -16.142 5.110 1.00 0.00 C ATOM 0 H THR A 37 20.596 -16.321 3.675 1.00 0.00 H new ATOM 0 HA THR A 37 20.045 -15.382 6.245 1.00 0.00 H new ATOM 0 HB THR A 37 21.495 -17.280 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.850 -15.470 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.967 -16.921 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.090 -16.206 4.036 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.685 -15.165 5.352 1.00 0.00 H new ATOM 513 N VAL A 38 21.476 -13.365 6.952 1.00 0.00 N ATOM 514 CA VAL A 38 22.330 -12.205 7.319 1.00 0.00 C ATOM 515 C VAL A 38 23.821 -12.688 7.357 1.00 0.00 C ATOM 516 O VAL A 38 24.159 -13.645 8.061 1.00 0.00 O ATOM 517 CB VAL A 38 21.850 -11.547 8.655 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.614 -10.233 8.962 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.330 -11.282 8.720 1.00 0.00 C ATOM 0 H VAL A 38 20.979 -13.783 7.739 1.00 0.00 H new ATOM 0 HA VAL A 38 22.247 -11.415 6.572 1.00 0.00 H new ATOM 0 HB VAL A 38 22.080 -12.291 9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.249 -9.810 9.898 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.680 -10.444 9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.451 -9.520 8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.081 -10.825 9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.043 -10.610 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.792 -12.224 8.617 1.00 0.00 H new ATOM 529 N ALA A 39 24.676 -12.056 6.530 1.00 0.00 N ATOM 530 CA ALA A 39 26.080 -12.488 6.283 1.00 0.00 C ATOM 531 C ALA A 39 26.241 -13.835 5.505 1.00 0.00 C ATOM 532 O ALA A 39 26.523 -14.886 6.088 1.00 0.00 O ATOM 533 CB ALA A 39 26.947 -12.387 7.550 1.00 0.00 C ATOM 0 H ALA A 39 24.416 -11.221 6.005 1.00 0.00 H new ATOM 0 HA ALA A 39 26.477 -11.760 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.962 -12.712 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 39 26.966 -11.354 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.528 -13.024 8.329 1.00 0.00 H new ATOM 581 N PHE A 44 32.577 -12.537 -0.264 1.00 0.00 N ATOM 582 CA PHE A 44 32.496 -11.289 0.543 1.00 0.00 C ATOM 583 C PHE A 44 32.596 -11.611 2.070 1.00 0.00 C ATOM 584 O PHE A 44 31.717 -12.275 2.630 1.00 0.00 O ATOM 585 CB PHE A 44 31.188 -10.532 0.166 1.00 0.00 C ATOM 586 CG PHE A 44 31.140 -9.061 0.625 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.775 -8.738 1.937 1.00 0.00 C ATOM 588 CD2 PHE A 44 31.467 -8.030 -0.264 1.00 0.00 C ATOM 589 CE1 PHE A 44 30.763 -7.413 2.362 1.00 0.00 C ATOM 590 CE2 PHE A 44 31.445 -6.702 0.159 1.00 0.00 C ATOM 591 CZ PHE A 44 31.104 -6.397 1.475 1.00 0.00 C ATOM 0 HA PHE A 44 33.339 -10.636 0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 44 31.064 -10.565 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.340 -11.062 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.500 -9.524 2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 44 31.738 -8.265 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 44 30.489 -7.174 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.692 -5.910 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.104 -5.369 1.807 1.00 0.00 H new ATOM 601 N ASN A 45 33.635 -11.092 2.753 1.00 0.00 N ATOM 602 CA ASN A 45 33.716 -11.142 4.239 1.00 0.00 C ATOM 603 C ASN A 45 32.953 -9.934 4.879 1.00 0.00 C ATOM 604 O ASN A 45 33.236 -8.765 4.601 1.00 0.00 O ATOM 605 CB ASN A 45 35.205 -11.217 4.669 1.00 0.00 C ATOM 606 CG ASN A 45 35.397 -11.511 6.166 1.00 0.00 C ATOM 607 OD1 ASN A 45 35.104 -12.596 6.658 1.00 0.00 O ATOM 608 ND2 ASN A 45 35.841 -10.555 6.944 1.00 0.00 N ATOM 0 H ASN A 45 34.430 -10.634 2.308 1.00 0.00 H new ATOM 0 HA ASN A 45 33.220 -12.040 4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.704 -11.992 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.693 -10.273 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 45 35.940 -10.717 7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.088 -9.648 6.548 1.00 0.00 H new ATOM 615 N TYR A 46 32.001 -10.252 5.763 1.00 0.00 N ATOM 616 CA TYR A 46 31.150 -9.247 6.460 1.00 0.00 C ATOM 617 C TYR A 46 31.729 -8.883 7.878 1.00 0.00 C ATOM 618 O TYR A 46 32.729 -9.449 8.337 1.00 0.00 O ATOM 619 CB TYR A 46 29.710 -9.852 6.538 1.00 0.00 C ATOM 620 CG TYR A 46 28.923 -10.118 5.233 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.218 -11.237 4.443 1.00 0.00 C ATOM 622 CD2 TYR A 46 27.841 -9.306 4.878 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.476 -11.511 3.298 1.00 0.00 C ATOM 624 CE2 TYR A 46 27.073 -9.606 3.756 1.00 0.00 C ATOM 625 CZ TYR A 46 27.394 -10.705 2.963 1.00 0.00 C ATOM 626 OH TYR A 46 26.615 -11.017 1.882 1.00 0.00 O ATOM 0 H TYR A 46 31.788 -11.215 6.025 1.00 0.00 H new ATOM 0 HA TYR A 46 31.129 -8.305 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.782 -10.798 7.074 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.107 -9.183 7.152 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.028 -11.893 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.600 -8.441 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 46 28.741 -12.349 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 46 26.227 -8.985 3.500 1.00 0.00 H new ATOM 0 HH TYR A 46 25.902 -10.351 1.790 1.00 0.00 H new ATOM 636 N SER A 47 31.097 -7.935 8.603 1.00 0.00 N ATOM 637 CA SER A 47 31.494 -7.612 10.006 1.00 0.00 C ATOM 638 C SER A 47 31.143 -8.721 11.060 1.00 0.00 C ATOM 639 O SER A 47 30.278 -9.574 10.834 1.00 0.00 O ATOM 640 CB SER A 47 30.935 -6.210 10.368 1.00 0.00 C ATOM 641 OG SER A 47 29.527 -6.183 10.612 1.00 0.00 O ATOM 0 H SER A 47 30.316 -7.380 8.252 1.00 0.00 H new ATOM 0 HA SER A 47 32.583 -7.587 10.051 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.453 -5.843 11.254 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.165 -5.520 9.556 1.00 0.00 H new ATOM 0 HG SER A 47 29.269 -5.297 10.943 1.00 0.00 H new ATOM 647 N ASP A 48 31.799 -8.700 12.240 1.00 0.00 N ATOM 648 CA ASP A 48 31.479 -9.646 13.353 1.00 0.00 C ATOM 649 C ASP A 48 29.994 -9.651 13.877 1.00 0.00 C ATOM 650 O ASP A 48 29.493 -10.765 14.053 1.00 0.00 O ATOM 651 CB ASP A 48 32.463 -9.465 14.544 1.00 0.00 C ATOM 652 CG ASP A 48 32.868 -10.755 15.269 1.00 0.00 C ATOM 653 OD1 ASP A 48 31.799 -11.558 15.576 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.032 -11.018 15.551 1.00 0.00 O ATOM 0 H ASP A 48 32.551 -8.045 12.455 1.00 0.00 H new ATOM 0 HA ASP A 48 31.605 -10.624 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.366 -8.977 14.176 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.008 -8.789 15.268 1.00 0.00 H new ATOM 659 N PRO A 49 29.273 -8.523 14.155 1.00 0.00 N ATOM 660 CA PRO A 49 27.812 -8.553 14.454 1.00 0.00 C ATOM 661 C PRO A 49 26.850 -8.840 13.247 1.00 0.00 C ATOM 662 O PRO A 49 25.753 -9.356 13.466 1.00 0.00 O ATOM 663 CB PRO A 49 27.616 -7.188 15.137 1.00 0.00 C ATOM 664 CG PRO A 49 28.664 -6.270 14.508 1.00 0.00 C ATOM 665 CD PRO A 49 29.843 -7.162 14.144 1.00 0.00 C ATOM 0 HA PRO A 49 27.530 -9.405 15.072 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.608 -6.806 14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.755 -7.264 16.215 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.265 -5.771 13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.967 -5.489 15.205 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.250 -6.907 13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.656 -7.063 14.863 1.00 0.00 H new ATOM 673 N MET A 50 27.265 -8.594 11.985 1.00 0.00 N ATOM 674 CA MET A 50 26.694 -9.276 10.788 1.00 0.00 C ATOM 675 C MET A 50 26.753 -10.846 10.850 1.00 0.00 C ATOM 676 O MET A 50 25.724 -11.515 10.727 1.00 0.00 O ATOM 677 CB MET A 50 27.460 -8.730 9.539 1.00 0.00 C ATOM 678 CG MET A 50 26.703 -7.783 8.607 1.00 0.00 C ATOM 679 SD MET A 50 25.179 -8.521 8.025 1.00 0.00 S ATOM 680 CE MET A 50 24.520 -7.044 7.254 1.00 0.00 C ATOM 0 H MET A 50 28.000 -7.923 11.761 1.00 0.00 H new ATOM 0 HA MET A 50 25.629 -9.051 10.737 1.00 0.00 H new ATOM 0 HB2 MET A 50 28.353 -8.213 9.891 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.797 -9.584 8.951 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.482 -6.853 9.131 1.00 0.00 H new ATOM 0 HG3 MET A 50 27.333 -7.527 7.756 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.549 -7.267 6.812 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.406 -6.262 8.004 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.204 -6.704 6.476 1.00 0.00 H new ATOM 690 N LYS A 51 27.961 -11.412 11.040 1.00 0.00 N ATOM 691 CA LYS A 51 28.196 -12.883 11.093 1.00 0.00 C ATOM 692 C LYS A 51 27.620 -13.604 12.358 1.00 0.00 C ATOM 693 O LYS A 51 27.081 -14.706 12.228 1.00 0.00 O ATOM 694 CB LYS A 51 29.722 -13.130 10.893 1.00 0.00 C ATOM 695 CG LYS A 51 30.285 -12.733 9.499 1.00 0.00 C ATOM 696 CD LYS A 51 31.823 -12.675 9.393 1.00 0.00 C ATOM 697 CE LYS A 51 32.513 -14.047 9.354 1.00 0.00 C ATOM 698 NZ LYS A 51 33.971 -13.871 9.191 1.00 0.00 N ATOM 0 H LYS A 51 28.812 -10.864 11.163 1.00 0.00 H new ATOM 0 HA LYS A 51 27.627 -13.344 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.266 -12.575 11.657 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.927 -14.187 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.914 -13.445 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.883 -11.756 9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.092 -12.122 8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.212 -12.111 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.304 -14.595 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.115 -14.641 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.438 -14.800 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.165 -13.411 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.338 -13.278 9.963 1.00 0.00 H new ATOM 711 N ALA A 52 27.667 -12.982 13.554 1.00 0.00 N ATOM 712 CA ALA A 52 26.876 -13.429 14.735 1.00 0.00 C ATOM 713 C ALA A 52 25.309 -13.343 14.657 1.00 0.00 C ATOM 714 O ALA A 52 24.646 -14.048 15.421 1.00 0.00 O ATOM 715 CB ALA A 52 27.420 -12.635 15.938 1.00 0.00 C ATOM 0 H ALA A 52 28.247 -12.162 13.735 1.00 0.00 H new ATOM 0 HA ALA A 52 27.016 -14.507 14.811 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.876 -12.921 16.838 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.480 -12.854 16.069 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.289 -11.568 15.759 1.00 0.00 H new ATOM 721 N HIS A 53 24.709 -12.538 13.752 1.00 0.00 N ATOM 722 CA HIS A 53 23.245 -12.588 13.461 1.00 0.00 C ATOM 723 C HIS A 53 22.822 -13.912 12.730 1.00 0.00 C ATOM 724 O HIS A 53 22.066 -14.699 13.307 1.00 0.00 O ATOM 725 CB HIS A 53 22.849 -11.265 12.732 1.00 0.00 C ATOM 726 CG HIS A 53 21.352 -10.924 12.617 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.340 -11.823 12.295 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.827 -9.620 12.703 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.276 -10.961 12.236 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.466 -9.625 12.459 1.00 0.00 N ATOM 0 H HIS A 53 25.213 -11.840 13.204 1.00 0.00 H new ATOM 0 HA HIS A 53 22.671 -12.635 14.386 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.341 -10.440 13.247 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.261 -11.303 11.724 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.408 -8.738 12.928 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.288 -11.337 12.014 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.797 -8.855 12.448 1.00 0.00 H new ATOM 738 N GLY A 54 23.287 -14.164 11.487 1.00 0.00 N ATOM 739 CA GLY A 54 22.887 -15.371 10.713 1.00 0.00 C ATOM 740 C GLY A 54 21.407 -15.384 10.259 1.00 0.00 C ATOM 741 O GLY A 54 20.913 -14.401 9.707 1.00 0.00 O ATOM 0 H GLY A 54 23.938 -13.552 10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.524 -15.449 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.074 -16.256 11.322 1.00 0.00 H new ATOM 745 N GLY A 55 20.690 -16.495 10.487 1.00 0.00 N ATOM 746 CA GLY A 55 19.205 -16.533 10.355 1.00 0.00 C ATOM 747 C GLY A 55 18.634 -16.186 8.962 1.00 0.00 C ATOM 748 O GLY A 55 18.909 -16.902 7.998 1.00 0.00 O ATOM 0 H GLY A 55 21.104 -17.385 10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.863 -17.532 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.779 -15.841 11.082 1.00 0.00 H new ATOM 752 N ASP A 56 17.868 -15.083 8.860 1.00 0.00 N ATOM 753 CA ASP A 56 17.399 -14.555 7.551 1.00 0.00 C ATOM 754 C ASP A 56 17.113 -13.023 7.546 1.00 0.00 C ATOM 755 O ASP A 56 16.635 -12.437 8.523 1.00 0.00 O ATOM 756 CB ASP A 56 16.111 -15.294 7.070 1.00 0.00 C ATOM 757 CG ASP A 56 16.295 -16.676 6.455 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.063 -16.639 5.333 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.784 -17.697 6.901 1.00 0.00 O ATOM 0 H ASP A 56 17.558 -14.536 9.663 1.00 0.00 H new ATOM 0 HA ASP A 56 18.230 -14.740 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.437 -15.389 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.611 -14.661 6.337 1.00 0.00 H new ATOM 764 N TRP A 57 17.273 -12.417 6.353 1.00 0.00 N ATOM 765 CA TRP A 57 16.616 -11.133 6.005 1.00 0.00 C ATOM 766 C TRP A 57 15.142 -11.339 5.539 1.00 0.00 C ATOM 767 O TRP A 57 14.846 -11.485 4.350 1.00 0.00 O ATOM 768 CB TRP A 57 17.469 -10.367 4.949 1.00 0.00 C ATOM 769 CG TRP A 57 18.645 -9.550 5.498 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.983 -9.691 5.079 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.674 -8.657 6.566 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.857 -8.932 5.886 1.00 0.00 N ATOM 773 CE2 TRP A 57 20.028 -8.339 6.823 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.652 -8.201 7.447 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.380 -7.673 8.018 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.024 -7.524 8.605 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.370 -7.284 8.897 1.00 0.00 C ATOM 0 H TRP A 57 17.855 -12.796 5.606 1.00 0.00 H new ATOM 0 HA TRP A 57 16.562 -10.519 6.904 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.858 -11.090 4.232 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.811 -9.695 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.299 -10.302 4.246 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.869 -8.841 5.799 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.611 -8.377 7.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.415 -7.468 8.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.262 -7.179 9.288 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.632 -6.788 9.820 1.00 0.00 H new ATOM 788 N THR A 58 14.210 -11.308 6.502 1.00 0.00 N ATOM 789 CA THR A 58 12.743 -11.354 6.230 1.00 0.00 C ATOM 790 C THR A 58 12.179 -9.995 5.664 1.00 0.00 C ATOM 791 O THR A 58 12.750 -8.939 5.976 1.00 0.00 O ATOM 792 CB THR A 58 11.973 -11.776 7.529 1.00 0.00 C ATOM 793 OG1 THR A 58 12.168 -10.842 8.585 1.00 0.00 O ATOM 794 CG2 THR A 58 12.318 -13.169 8.083 1.00 0.00 C ATOM 0 H THR A 58 14.438 -11.250 7.494 1.00 0.00 H new ATOM 0 HA THR A 58 12.583 -12.099 5.451 1.00 0.00 H new ATOM 0 HB THR A 58 10.935 -11.800 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.672 -11.136 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.730 -13.359 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.090 -13.926 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.379 -13.210 8.329 1.00 0.00 H new ATOM 802 N PRO A 59 11.034 -9.927 4.913 1.00 0.00 N ATOM 803 CA PRO A 59 10.405 -8.622 4.510 1.00 0.00 C ATOM 804 C PRO A 59 9.830 -7.656 5.619 1.00 0.00 C ATOM 805 O PRO A 59 9.192 -6.654 5.292 1.00 0.00 O ATOM 806 CB PRO A 59 9.327 -9.111 3.517 1.00 0.00 C ATOM 807 CG PRO A 59 8.954 -10.521 3.971 1.00 0.00 C ATOM 808 CD PRO A 59 10.276 -11.113 4.452 1.00 0.00 C ATOM 0 HA PRO A 59 11.166 -7.945 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.458 -8.454 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.709 -9.117 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.212 -10.501 4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.529 -11.104 3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.125 -11.832 5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.797 -11.637 3.651 1.00 0.00 H new ATOM 816 N GLU A 60 10.103 -7.937 6.902 1.00 0.00 N ATOM 817 CA GLU A 60 9.821 -7.041 8.064 1.00 0.00 C ATOM 818 C GLU A 60 11.134 -6.661 8.835 1.00 0.00 C ATOM 819 O GLU A 60 11.336 -5.476 9.118 1.00 0.00 O ATOM 820 CB GLU A 60 8.760 -7.687 8.997 1.00 0.00 C ATOM 821 CG GLU A 60 7.335 -7.780 8.395 1.00 0.00 C ATOM 822 CD GLU A 60 6.318 -8.426 9.332 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.099 -9.632 9.375 1.00 0.00 O ATOM 824 OE2 GLU A 60 5.680 -7.512 10.115 1.00 0.00 O ATOM 0 H GLU A 60 10.539 -8.816 7.182 1.00 0.00 H new ATOM 0 HA GLU A 60 9.407 -6.107 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.093 -8.690 9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.712 -7.112 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.993 -6.778 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.378 -8.352 7.468 1.00 0.00 H new ATOM 831 N ALA A 61 12.058 -7.610 9.125 1.00 0.00 N ATOM 832 CA ALA A 61 13.453 -7.285 9.545 1.00 0.00 C ATOM 833 C ALA A 61 14.272 -6.377 8.565 1.00 0.00 C ATOM 834 O ALA A 61 14.914 -5.432 9.028 1.00 0.00 O ATOM 835 CB ALA A 61 14.180 -8.612 9.837 1.00 0.00 C ATOM 0 H ALA A 61 11.866 -8.611 9.077 1.00 0.00 H new ATOM 0 HA ALA A 61 13.379 -6.664 10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.204 -8.405 10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.660 -9.144 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.190 -9.227 8.937 1.00 0.00 H new ATOM 841 N LEU A 62 14.184 -6.586 7.233 1.00 0.00 N ATOM 842 CA LEU A 62 14.587 -5.559 6.225 1.00 0.00 C ATOM 843 C LEU A 62 13.856 -4.179 6.302 1.00 0.00 C ATOM 844 O LEU A 62 14.494 -3.176 6.004 1.00 0.00 O ATOM 845 CB LEU A 62 14.417 -6.111 4.787 1.00 0.00 C ATOM 846 CG LEU A 62 15.378 -7.231 4.322 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.885 -7.832 3.000 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.808 -6.692 4.123 1.00 0.00 C ATOM 0 H LEU A 62 13.839 -7.454 6.823 1.00 0.00 H new ATOM 0 HA LEU A 62 15.629 -5.361 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.397 -6.484 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.517 -5.275 4.094 1.00 0.00 H new ATOM 0 HG LEU A 62 15.394 -7.997 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.568 -8.619 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.888 -8.251 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.848 -7.054 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.460 -7.502 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.799 -5.906 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.178 -6.286 5.064 1.00 0.00 H new ATOM 860 N GLN A 63 12.567 -4.084 6.676 1.00 0.00 N ATOM 861 CA GLN A 63 11.905 -2.761 6.920 1.00 0.00 C ATOM 862 C GLN A 63 12.471 -1.959 8.139 1.00 0.00 C ATOM 863 O GLN A 63 12.707 -0.752 8.016 1.00 0.00 O ATOM 864 CB GLN A 63 10.360 -2.910 6.992 1.00 0.00 C ATOM 865 CG GLN A 63 9.690 -3.321 5.657 1.00 0.00 C ATOM 866 CD GLN A 63 8.159 -3.338 5.640 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.472 -2.683 6.413 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.568 -4.060 4.722 1.00 0.00 N ATOM 0 H GLN A 63 11.958 -4.889 6.818 1.00 0.00 H new ATOM 0 HA GLN A 63 12.155 -2.151 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.115 -3.653 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.932 -1.964 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.033 -2.639 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.046 -4.316 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.125 -4.612 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.550 -4.071 4.659 1.00 0.00 H new ATOM 877 N GLU A 64 12.740 -2.618 9.282 1.00 0.00 N ATOM 878 CA GLU A 64 13.519 -2.018 10.402 1.00 0.00 C ATOM 879 C GLU A 64 15.022 -1.733 10.050 1.00 0.00 C ATOM 880 O GLU A 64 15.495 -0.620 10.292 1.00 0.00 O ATOM 881 CB GLU A 64 13.385 -2.939 11.648 1.00 0.00 C ATOM 882 CG GLU A 64 11.961 -3.102 12.238 1.00 0.00 C ATOM 883 CD GLU A 64 11.909 -4.096 13.396 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.822 -5.311 13.248 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.976 -3.484 14.610 1.00 0.00 O ATOM 0 H GLU A 64 12.430 -3.573 9.463 1.00 0.00 H new ATOM 0 HA GLU A 64 13.098 -1.035 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.760 -3.928 11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.036 -2.550 12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.602 -2.132 12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.283 -3.432 11.451 1.00 0.00 H new ATOM 892 N PHE A 65 15.753 -2.695 9.445 1.00 0.00 N ATOM 893 CA PHE A 65 17.142 -2.489 8.941 1.00 0.00 C ATOM 894 C PHE A 65 17.277 -1.419 7.822 1.00 0.00 C ATOM 895 O PHE A 65 18.116 -0.534 7.964 1.00 0.00 O ATOM 896 CB PHE A 65 17.692 -3.874 8.522 1.00 0.00 C ATOM 897 CG PHE A 65 19.143 -3.960 8.015 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.221 -3.823 8.898 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.388 -4.363 6.697 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.511 -4.148 8.487 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.677 -4.704 6.298 1.00 0.00 C ATOM 902 CZ PHE A 65 21.729 -4.637 7.204 1.00 0.00 C ATOM 0 H PHE A 65 15.402 -3.640 9.289 1.00 0.00 H new ATOM 0 HA PHE A 65 17.744 -2.065 9.745 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.599 -4.542 9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.043 -4.267 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.051 -3.464 9.902 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.575 -4.409 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.342 -4.020 9.165 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.860 -5.021 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.716 -4.965 6.911 1.00 0.00 H new ATOM 912 N LEU A 66 16.462 -1.417 6.753 1.00 0.00 N ATOM 913 CA LEU A 66 16.439 -0.269 5.801 1.00 0.00 C ATOM 914 C LEU A 66 15.990 1.108 6.385 1.00 0.00 C ATOM 915 O LEU A 66 16.469 2.118 5.878 1.00 0.00 O ATOM 916 CB LEU A 66 15.669 -0.639 4.508 1.00 0.00 C ATOM 917 CG LEU A 66 16.257 -1.807 3.667 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.351 -2.098 2.465 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.699 -1.544 3.193 1.00 0.00 C ATOM 0 H LEU A 66 15.820 -2.175 6.521 1.00 0.00 H new ATOM 0 HA LEU A 66 17.488 -0.096 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.645 -0.895 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.618 0.247 3.875 1.00 0.00 H new ATOM 0 HG LEU A 66 16.296 -2.677 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.772 -2.918 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.357 -2.376 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.279 -1.208 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.052 -2.396 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.720 -0.648 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.346 -1.402 4.058 1.00 0.00 H new ATOM 931 N THR A 67 15.169 1.183 7.452 1.00 0.00 N ATOM 932 CA THR A 67 14.966 2.451 8.228 1.00 0.00 C ATOM 933 C THR A 67 16.212 2.933 9.057 1.00 0.00 C ATOM 934 O THR A 67 16.482 4.133 9.095 1.00 0.00 O ATOM 935 CB THR A 67 13.720 2.370 9.169 1.00 0.00 C ATOM 936 OG1 THR A 67 12.612 1.723 8.558 1.00 0.00 O ATOM 937 CG2 THR A 67 13.195 3.762 9.570 1.00 0.00 C ATOM 0 H THR A 67 14.632 0.391 7.805 1.00 0.00 H new ATOM 0 HA THR A 67 14.800 3.199 7.453 1.00 0.00 H new ATOM 0 HB THR A 67 14.082 1.811 10.032 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.641 0.764 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.330 3.650 10.223 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.978 4.309 10.095 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.905 4.313 8.675 1.00 0.00 H new ATOM 945 N ASN A 68 16.908 2.031 9.770 1.00 0.00 N ATOM 946 CA ASN A 68 18.034 2.366 10.678 1.00 0.00 C ATOM 947 C ASN A 68 19.020 1.137 10.637 1.00 0.00 C ATOM 948 O ASN A 68 18.914 0.254 11.498 1.00 0.00 O ATOM 949 CB ASN A 68 17.495 2.705 12.096 1.00 0.00 C ATOM 950 CG ASN A 68 16.986 4.135 12.293 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.749 5.093 12.318 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.703 4.333 12.472 1.00 0.00 N ATOM 0 H ASN A 68 16.706 1.032 9.736 1.00 0.00 H new ATOM 0 HA ASN A 68 18.577 3.258 10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.684 2.016 12.330 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.289 2.520 12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.350 5.277 12.630 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.058 3.543 12.453 1.00 0.00 H new ATOM 959 N PRO A 69 19.985 1.020 9.669 1.00 0.00 N ATOM 960 CA PRO A 69 20.871 -0.178 9.528 1.00 0.00 C ATOM 961 C PRO A 69 21.735 -0.572 10.759 1.00 0.00 C ATOM 962 O PRO A 69 21.762 -1.737 11.169 1.00 0.00 O ATOM 963 CB PRO A 69 21.708 0.159 8.269 1.00 0.00 C ATOM 964 CG PRO A 69 20.862 1.147 7.466 1.00 0.00 C ATOM 965 CD PRO A 69 20.073 1.924 8.512 1.00 0.00 C ATOM 0 HA PRO A 69 20.273 -1.085 9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.668 0.597 8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.920 -0.738 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.488 1.810 6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.198 0.628 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.576 2.855 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.083 2.190 8.143 1.00 0.00 H new ATOM 973 N LYS A 70 22.368 0.436 11.373 1.00 0.00 N ATOM 974 CA LYS A 70 23.075 0.288 12.680 1.00 0.00 C ATOM 975 C LYS A 70 22.189 0.040 13.956 1.00 0.00 C ATOM 976 O LYS A 70 22.718 -0.390 14.982 1.00 0.00 O ATOM 977 CB LYS A 70 24.010 1.511 12.901 1.00 0.00 C ATOM 978 CG LYS A 70 25.084 1.695 11.808 1.00 0.00 C ATOM 979 CD LYS A 70 26.293 2.546 12.235 1.00 0.00 C ATOM 980 CE LYS A 70 27.360 2.604 11.131 1.00 0.00 C ATOM 981 NZ LYS A 70 28.510 3.410 11.585 1.00 0.00 N ATOM 0 H LYS A 70 22.412 1.380 10.990 1.00 0.00 H new ATOM 0 HA LYS A 70 23.632 -0.643 12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.402 2.414 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.505 1.405 13.866 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.439 0.713 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.621 2.157 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.961 3.556 12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.730 2.130 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.689 1.596 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.936 3.038 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.228 3.445 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.192 4.375 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.922 2.978 12.437 1.00 0.00 H new ATOM 994 N ALA A 71 20.868 0.287 13.914 1.00 0.00 N ATOM 995 CA ALA A 71 19.926 -0.159 14.980 1.00 0.00 C ATOM 996 C ALA A 71 19.591 -1.689 14.986 1.00 0.00 C ATOM 997 O ALA A 71 19.574 -2.292 16.061 1.00 0.00 O ATOM 998 CB ALA A 71 18.662 0.711 14.868 1.00 0.00 C ATOM 0 H ALA A 71 20.417 0.795 13.153 1.00 0.00 H new ATOM 0 HA ALA A 71 20.421 -0.021 15.941 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.946 0.413 15.634 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.928 1.759 15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.215 0.578 13.883 1.00 0.00 H new ATOM 1004 N VAL A 72 19.343 -2.320 13.818 1.00 0.00 N ATOM 1005 CA VAL A 72 19.180 -3.805 13.716 1.00 0.00 C ATOM 1006 C VAL A 72 20.563 -4.551 13.771 1.00 0.00 C ATOM 1007 O VAL A 72 20.709 -5.461 14.591 1.00 0.00 O ATOM 1008 CB VAL A 72 18.266 -4.168 12.491 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.200 -5.679 12.175 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.799 -3.695 12.638 1.00 0.00 C ATOM 0 H VAL A 72 19.250 -1.833 12.927 1.00 0.00 H new ATOM 0 HA VAL A 72 18.652 -4.176 14.594 1.00 0.00 H new ATOM 0 HB VAL A 72 18.760 -3.634 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.549 -5.843 11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.200 -6.047 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.804 -6.214 13.038 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.233 -3.983 11.752 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.354 -4.157 13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.775 -2.611 12.746 1.00 0.00 H new ATOM 1020 N VAL A 73 21.558 -4.201 12.927 1.00 0.00 N ATOM 1021 CA VAL A 73 22.939 -4.773 13.033 1.00 0.00 C ATOM 1022 C VAL A 73 23.872 -3.649 13.588 1.00 0.00 C ATOM 1023 O VAL A 73 24.436 -2.861 12.820 1.00 0.00 O ATOM 1024 CB VAL A 73 23.462 -5.356 11.675 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.867 -5.990 11.801 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.560 -6.430 11.031 1.00 0.00 C ATOM 0 H VAL A 73 21.443 -3.531 12.167 1.00 0.00 H new ATOM 0 HA VAL A 73 22.928 -5.625 13.713 1.00 0.00 H new ATOM 0 HB VAL A 73 23.474 -4.473 11.037 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.180 -6.378 10.831 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.578 -5.235 12.136 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.835 -6.805 12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.008 -6.769 10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.457 -7.275 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.577 -6.005 10.828 1.00 0.00 H new ATOM 1036 N LYS A 74 24.079 -3.598 14.916 1.00 0.00 N ATOM 1037 CA LYS A 74 25.000 -2.611 15.549 1.00 0.00 C ATOM 1038 C LYS A 74 26.505 -2.933 15.259 1.00 0.00 C ATOM 1039 O LYS A 74 27.060 -3.919 15.748 1.00 0.00 O ATOM 1040 CB LYS A 74 24.625 -2.408 17.046 1.00 0.00 C ATOM 1041 CG LYS A 74 25.032 -3.465 18.104 1.00 0.00 C ATOM 1042 CD LYS A 74 24.332 -4.838 17.981 1.00 0.00 C ATOM 1043 CE LYS A 74 24.678 -5.836 19.101 1.00 0.00 C ATOM 1044 NZ LYS A 74 26.051 -6.362 18.958 1.00 0.00 N ATOM 0 H LYS A 74 23.625 -4.225 15.580 1.00 0.00 H new ATOM 0 HA LYS A 74 24.865 -1.635 15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.053 -1.456 17.360 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.541 -2.302 17.096 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.109 -3.620 18.041 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.826 -3.060 19.094 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.253 -4.682 17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.598 -5.282 17.022 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.575 -5.347 20.069 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.968 -6.663 19.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 26.249 -7.031 19.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 26.142 -6.851 18.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 26.730 -5.575 18.999 1.00 0.00 H new ATOM 1057 N GLY A 75 27.126 -2.122 14.388 1.00 0.00 N ATOM 1058 CA GLY A 75 28.394 -2.494 13.697 1.00 0.00 C ATOM 1059 C GLY A 75 28.276 -3.159 12.298 1.00 0.00 C ATOM 1060 O GLY A 75 29.073 -4.045 11.969 1.00 0.00 O ATOM 0 H GLY A 75 26.777 -1.197 14.137 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.998 -1.592 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.946 -3.173 14.347 1.00 0.00 H new ATOM 1064 N THR A 76 27.354 -2.693 11.437 1.00 0.00 N ATOM 1065 CA THR A 76 27.367 -2.993 9.986 1.00 0.00 C ATOM 1066 C THR A 76 28.376 -2.051 9.253 1.00 0.00 C ATOM 1067 O THR A 76 28.362 -0.829 9.435 1.00 0.00 O ATOM 1068 CB THR A 76 25.909 -2.923 9.429 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.877 -3.488 8.125 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.210 -1.557 9.335 1.00 0.00 C ATOM 0 H THR A 76 26.577 -2.097 11.723 1.00 0.00 H new ATOM 0 HA THR A 76 27.721 -4.008 9.802 1.00 0.00 H new ATOM 0 HB THR A 76 25.351 -3.469 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.963 -3.447 7.773 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.207 -1.689 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.144 -1.113 10.328 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.783 -0.899 8.681 1.00 0.00 H new ATOM 1078 N LYS A 77 29.195 -2.608 8.349 1.00 0.00 N ATOM 1079 CA LYS A 77 29.958 -1.802 7.340 1.00 0.00 C ATOM 1080 C LYS A 77 29.105 -1.076 6.227 1.00 0.00 C ATOM 1081 O LYS A 77 29.677 -0.509 5.292 1.00 0.00 O ATOM 1082 CB LYS A 77 31.041 -2.754 6.734 1.00 0.00 C ATOM 1083 CG LYS A 77 32.459 -2.714 7.347 1.00 0.00 C ATOM 1084 CD LYS A 77 32.563 -2.903 8.877 1.00 0.00 C ATOM 1085 CE LYS A 77 33.795 -3.721 9.295 1.00 0.00 C ATOM 1086 NZ LYS A 77 33.946 -3.696 10.763 1.00 0.00 N ATOM 0 H LYS A 77 29.357 -3.613 8.283 1.00 0.00 H new ATOM 0 HA LYS A 77 30.400 -0.952 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.671 -3.776 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.129 -2.528 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.058 -3.488 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.912 -1.756 7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.602 -1.925 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 77 31.663 -3.400 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.692 -4.750 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.689 -3.314 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.782 -4.252 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.064 -2.714 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 33.099 -4.105 11.206 1.00 0.00 H new ATOM 1099 N MET A 78 27.759 -1.054 6.329 1.00 0.00 N ATOM 1100 CA MET A 78 26.879 -0.344 5.373 1.00 0.00 C ATOM 1101 C MET A 78 26.779 1.165 5.756 1.00 0.00 C ATOM 1102 O MET A 78 26.075 1.535 6.703 1.00 0.00 O ATOM 1103 CB MET A 78 25.523 -1.105 5.315 1.00 0.00 C ATOM 1104 CG MET A 78 24.466 -0.434 4.413 1.00 0.00 C ATOM 1105 SD MET A 78 23.371 -1.605 3.512 1.00 0.00 S ATOM 1106 CE MET A 78 21.797 -0.754 3.932 1.00 0.00 C ATOM 0 H MET A 78 27.251 -1.528 7.076 1.00 0.00 H new ATOM 0 HA MET A 78 27.283 -0.342 4.361 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.702 -2.119 4.956 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.122 -1.191 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.848 0.222 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.977 0.198 3.686 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.962 -1.293 3.485 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.675 -0.729 5.015 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.820 0.265 3.546 1.00 0.00 H new ATOM 1116 N ALA A 79 27.454 2.036 4.981 1.00 0.00 N ATOM 1117 CA ALA A 79 27.359 3.511 5.161 1.00 0.00 C ATOM 1118 C ALA A 79 26.050 4.124 4.551 1.00 0.00 C ATOM 1119 O ALA A 79 26.053 4.846 3.550 1.00 0.00 O ATOM 1120 CB ALA A 79 28.669 4.097 4.598 1.00 0.00 C ATOM 0 H ALA A 79 28.073 1.751 4.222 1.00 0.00 H new ATOM 0 HA ALA A 79 27.264 3.776 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.657 5.182 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.516 3.688 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.761 3.836 3.544 1.00 0.00 H new ATOM 1126 N PHE A 80 24.921 3.810 5.203 1.00 0.00 N ATOM 1127 CA PHE A 80 23.563 4.222 4.774 1.00 0.00 C ATOM 1128 C PHE A 80 22.774 4.688 6.037 1.00 0.00 C ATOM 1129 O PHE A 80 22.708 3.984 7.051 1.00 0.00 O ATOM 1130 CB PHE A 80 22.906 3.022 4.037 1.00 0.00 C ATOM 1131 CG PHE A 80 21.540 3.311 3.398 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.452 4.073 2.228 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.369 2.821 3.987 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.209 4.347 1.662 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.129 3.098 3.424 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.052 3.863 2.265 1.00 0.00 C ATOM 0 H PHE A 80 24.919 3.254 6.058 1.00 0.00 H new ATOM 0 HA PHE A 80 23.577 5.060 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.587 2.678 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.791 2.201 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.351 4.450 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.429 2.224 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.143 4.934 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.228 2.721 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.088 4.083 1.830 1.00 0.00 H new ATOM 1146 N ALA A 81 22.157 5.877 5.968 1.00 0.00 N ATOM 1147 CA ALA A 81 21.398 6.450 7.112 1.00 0.00 C ATOM 1148 C ALA A 81 19.974 5.860 7.364 1.00 0.00 C ATOM 1149 O ALA A 81 19.580 5.723 8.525 1.00 0.00 O ATOM 1150 CB ALA A 81 21.361 7.975 6.893 1.00 0.00 C ATOM 0 H ALA A 81 22.163 6.468 5.136 1.00 0.00 H new ATOM 0 HA ALA A 81 21.918 6.173 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.813 8.447 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.379 8.364 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.865 8.195 5.948 1.00 0.00 H new ATOM 1156 N GLY A 82 19.204 5.548 6.305 1.00 0.00 N ATOM 1157 CA GLY A 82 17.782 5.156 6.461 1.00 0.00 C ATOM 1158 C GLY A 82 16.826 5.531 5.309 1.00 0.00 C ATOM 1159 O GLY A 82 16.834 6.655 4.802 1.00 0.00 O ATOM 0 H GLY A 82 19.534 5.558 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.741 4.075 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.403 5.609 7.377 1.00 0.00 H new ATOM 1163 N LEU A 83 15.916 4.604 4.979 1.00 0.00 N ATOM 1164 CA LEU A 83 14.721 4.886 4.142 1.00 0.00 C ATOM 1165 C LEU A 83 13.553 5.491 4.996 1.00 0.00 C ATOM 1166 O LEU A 83 13.105 4.815 5.930 1.00 0.00 O ATOM 1167 CB LEU A 83 14.247 3.608 3.395 1.00 0.00 C ATOM 1168 CG LEU A 83 15.100 3.160 2.184 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.469 1.937 1.514 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.215 4.250 1.110 1.00 0.00 C ATOM 0 H LEU A 83 15.980 3.632 5.281 1.00 0.00 H new ATOM 0 HA LEU A 83 15.012 5.628 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.213 2.787 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.226 3.773 3.051 1.00 0.00 H new ATOM 0 HG LEU A 83 16.091 2.936 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.079 1.633 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.412 1.118 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.466 2.188 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.824 3.883 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.221 4.506 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.682 5.136 1.539 1.00 0.00 H new ATOM 1182 N PRO A 84 13.019 6.719 4.728 1.00 0.00 N ATOM 1183 CA PRO A 84 12.137 7.437 5.692 1.00 0.00 C ATOM 1184 C PRO A 84 10.622 7.055 5.699 1.00 0.00 C ATOM 1185 O PRO A 84 10.048 6.927 6.786 1.00 0.00 O ATOM 1186 CB PRO A 84 12.406 8.904 5.300 1.00 0.00 C ATOM 1187 CG PRO A 84 12.685 8.875 3.792 1.00 0.00 C ATOM 1188 CD PRO A 84 13.422 7.552 3.575 1.00 0.00 C ATOM 0 HA PRO A 84 12.372 7.178 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.548 9.536 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.256 9.309 5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.761 8.916 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.293 9.725 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.138 7.088 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.502 7.698 3.547 1.00 0.00 H new ATOM 1196 N LYS A 85 9.977 6.839 4.537 1.00 0.00 N ATOM 1197 CA LYS A 85 8.554 6.413 4.467 1.00 0.00 C ATOM 1198 C LYS A 85 8.435 4.858 4.539 1.00 0.00 C ATOM 1199 O LYS A 85 9.238 4.114 3.960 1.00 0.00 O ATOM 1200 CB LYS A 85 7.910 6.921 3.147 1.00 0.00 C ATOM 1201 CG LYS A 85 7.928 8.453 2.907 1.00 0.00 C ATOM 1202 CD LYS A 85 7.462 8.899 1.502 1.00 0.00 C ATOM 1203 CE LYS A 85 5.948 9.103 1.304 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.226 7.838 1.073 1.00 0.00 N ATOM 0 H LYS A 85 10.417 6.952 3.624 1.00 0.00 H new ATOM 0 HA LYS A 85 8.029 6.844 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.420 6.440 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.873 6.585 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.292 8.930 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.941 8.820 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.965 9.835 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.802 8.157 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.535 9.597 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.784 9.770 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.290 8.041 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.768 7.244 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.110 7.335 1.976 1.00 0.00 H new ATOM 1217 N ILE A 86 7.362 4.366 5.179 1.00 0.00 N ATOM 1218 CA ILE A 86 6.950 2.923 5.094 1.00 0.00 C ATOM 1219 C ILE A 86 6.729 2.362 3.642 1.00 0.00 C ATOM 1220 O ILE A 86 7.129 1.233 3.344 1.00 0.00 O ATOM 1221 CB ILE A 86 5.767 2.657 6.094 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.461 1.154 6.347 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.437 3.366 5.722 1.00 0.00 C ATOM 1224 CD1 ILE A 86 6.602 0.350 6.988 1.00 0.00 C ATOM 0 H ILE A 86 6.752 4.934 5.767 1.00 0.00 H new ATOM 0 HA ILE A 86 7.804 2.325 5.412 1.00 0.00 H new ATOM 0 HB ILE A 86 6.155 3.096 7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.583 1.082 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.200 0.688 5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.677 3.127 6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.594 4.444 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.105 3.025 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.287 -0.685 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.478 0.382 6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.851 0.782 7.957 1.00 0.00 H new ATOM 1236 N GLU A 87 6.187 3.194 2.738 1.00 0.00 N ATOM 1237 CA GLU A 87 6.128 2.922 1.280 1.00 0.00 C ATOM 1238 C GLU A 87 7.515 2.782 0.575 1.00 0.00 C ATOM 1239 O GLU A 87 7.617 1.982 -0.353 1.00 0.00 O ATOM 1240 CB GLU A 87 5.300 4.040 0.575 1.00 0.00 C ATOM 1241 CG GLU A 87 3.812 4.238 0.981 1.00 0.00 C ATOM 1242 CD GLU A 87 3.536 4.926 2.327 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.362 5.602 2.942 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.262 4.700 2.760 1.00 0.00 O ATOM 0 H GLU A 87 5.770 4.088 2.996 1.00 0.00 H new ATOM 0 HA GLU A 87 5.651 1.947 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.816 4.986 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.327 3.844 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.323 4.818 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.333 3.259 0.998 1.00 0.00 H new ATOM 1251 N ASP A 88 8.573 3.520 0.984 1.00 0.00 N ATOM 1252 CA ASP A 88 9.917 3.403 0.345 1.00 0.00 C ATOM 1253 C ASP A 88 10.576 2.000 0.533 1.00 0.00 C ATOM 1254 O ASP A 88 10.887 1.344 -0.462 1.00 0.00 O ATOM 1255 CB ASP A 88 10.864 4.537 0.837 1.00 0.00 C ATOM 1256 CG ASP A 88 10.539 6.004 0.547 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.035 6.211 -0.705 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.749 6.894 1.367 1.00 0.00 O ATOM 0 H ASP A 88 8.530 4.198 1.745 1.00 0.00 H new ATOM 0 HA ASP A 88 9.756 3.517 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.952 4.435 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.850 4.337 0.417 1.00 0.00 H new ATOM 1263 N ARG A 89 10.747 1.530 1.782 1.00 0.00 N ATOM 1264 CA ARG A 89 11.197 0.139 2.068 1.00 0.00 C ATOM 1265 C ARG A 89 10.226 -1.009 1.632 1.00 0.00 C ATOM 1266 O ARG A 89 10.710 -1.965 1.025 1.00 0.00 O ATOM 1267 CB ARG A 89 11.724 0.024 3.521 1.00 0.00 C ATOM 1268 CG ARG A 89 10.776 0.454 4.667 1.00 0.00 C ATOM 1269 CD ARG A 89 11.245 1.721 5.411 1.00 0.00 C ATOM 1270 NE ARG A 89 10.400 1.826 6.638 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.116 2.939 7.306 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.640 4.096 7.037 1.00 0.00 N ATOM 1273 NH2 ARG A 89 9.280 2.870 8.300 1.00 0.00 N ATOM 0 H ARG A 89 10.582 2.090 2.619 1.00 0.00 H new ATOM 0 HA ARG A 89 12.035 -0.043 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.009 -1.014 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.633 0.621 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.781 0.630 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.687 -0.365 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.301 1.650 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.130 2.605 4.783 1.00 0.00 H new ATOM 0 HE ARG A 89 10.002 0.959 6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.311 4.187 6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.380 4.914 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.859 1.976 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.046 3.710 8.829 1.00 0.00 H new ATOM 1287 N ALA A 90 8.897 -0.933 1.858 1.00 0.00 N ATOM 1288 CA ALA A 90 7.928 -1.917 1.292 1.00 0.00 C ATOM 1289 C ALA A 90 7.891 -2.065 -0.273 1.00 0.00 C ATOM 1290 O ALA A 90 7.995 -3.185 -0.784 1.00 0.00 O ATOM 1291 CB ALA A 90 6.558 -1.593 1.914 1.00 0.00 C ATOM 0 H ALA A 90 8.464 -0.205 2.426 1.00 0.00 H new ATOM 0 HA ALA A 90 8.269 -2.916 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.811 -2.288 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.619 -1.688 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.272 -0.574 1.654 1.00 0.00 H new ATOM 1297 N ASN A 91 7.827 -0.953 -1.029 1.00 0.00 N ATOM 1298 CA ASN A 91 7.992 -0.958 -2.519 1.00 0.00 C ATOM 1299 C ASN A 91 9.388 -1.443 -3.046 1.00 0.00 C ATOM 1300 O ASN A 91 9.451 -2.233 -3.993 1.00 0.00 O ATOM 1301 CB ASN A 91 7.647 0.452 -3.078 1.00 0.00 C ATOM 1302 CG ASN A 91 6.176 0.883 -2.965 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.248 0.089 -2.860 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.908 2.163 -3.026 1.00 0.00 N ATOM 0 H ASN A 91 7.661 -0.025 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 91 7.295 -1.708 -2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.261 1.187 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.934 0.484 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.941 2.484 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.667 2.839 -3.113 1.00 0.00 H new ATOM 1311 N LEU A 92 10.499 -1.006 -2.422 1.00 0.00 N ATOM 1312 CA LEU A 92 11.854 -1.600 -2.623 1.00 0.00 C ATOM 1313 C LEU A 92 11.971 -3.138 -2.331 1.00 0.00 C ATOM 1314 O LEU A 92 12.554 -3.863 -3.139 1.00 0.00 O ATOM 1315 CB LEU A 92 12.815 -0.697 -1.795 1.00 0.00 C ATOM 1316 CG LEU A 92 14.348 -0.899 -1.857 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.809 -2.154 -1.115 1.00 0.00 C ATOM 1318 CD2 LEU A 92 14.902 -0.892 -3.286 1.00 0.00 C ATOM 0 H LEU A 92 10.492 -0.229 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 92 12.122 -1.598 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.617 0.334 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.522 -0.793 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 92 14.762 -0.032 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.892 -2.245 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.525 -2.081 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.339 -3.032 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.982 -1.038 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.441 -1.697 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.677 0.064 -3.759 1.00 0.00 H new ATOM 1330 N ILE A 93 11.412 -3.650 -1.219 1.00 0.00 N ATOM 1331 CA ILE A 93 11.305 -5.120 -0.937 1.00 0.00 C ATOM 1332 C ILE A 93 10.471 -5.906 -2.017 1.00 0.00 C ATOM 1333 O ILE A 93 10.923 -6.966 -2.455 1.00 0.00 O ATOM 1334 CB ILE A 93 10.870 -5.305 0.565 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.018 -4.915 1.554 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.364 -6.724 0.928 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.562 -4.594 2.986 1.00 0.00 C ATOM 0 H ILE A 93 11.017 -3.067 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 93 12.278 -5.601 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 93 10.024 -4.626 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.737 -5.733 1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.543 -4.048 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.088 -6.753 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.494 -6.967 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.154 -7.451 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.429 -4.336 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.868 -3.753 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.065 -5.465 3.413 1.00 0.00 H new ATOM 1349 N ALA A 94 9.327 -5.379 -2.500 1.00 0.00 N ATOM 1350 CA ALA A 94 8.658 -5.889 -3.733 1.00 0.00 C ATOM 1351 C ALA A 94 9.515 -5.905 -5.051 1.00 0.00 C ATOM 1352 O ALA A 94 9.536 -6.927 -5.743 1.00 0.00 O ATOM 1353 CB ALA A 94 7.351 -5.094 -3.890 1.00 0.00 C ATOM 0 H ALA A 94 8.840 -4.599 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 94 8.478 -6.954 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.824 -5.433 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.721 -5.252 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.580 -4.033 -3.985 1.00 0.00 H new ATOM 1359 N TYR A 95 10.272 -4.829 -5.362 1.00 0.00 N ATOM 1360 CA TYR A 95 11.390 -4.874 -6.355 1.00 0.00 C ATOM 1361 C TYR A 95 12.473 -5.985 -6.097 1.00 0.00 C ATOM 1362 O TYR A 95 12.756 -6.755 -7.014 1.00 0.00 O ATOM 1363 CB TYR A 95 11.966 -3.432 -6.471 1.00 0.00 C ATOM 1364 CG TYR A 95 13.125 -3.250 -7.464 1.00 0.00 C ATOM 1365 CD1 TYR A 95 14.445 -3.429 -7.032 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.878 -2.944 -8.806 1.00 0.00 C ATOM 1367 CE1 TYR A 95 15.499 -3.318 -7.933 1.00 0.00 C ATOM 1368 CE2 TYR A 95 13.941 -2.804 -9.698 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.248 -2.982 -9.259 1.00 0.00 C ATOM 1370 OH TYR A 95 16.288 -2.829 -10.134 1.00 0.00 O ATOM 0 H TYR A 95 10.134 -3.910 -4.941 1.00 0.00 H new ATOM 0 HA TYR A 95 10.992 -5.193 -7.318 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.157 -2.761 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.305 -3.117 -5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 95 14.646 -3.654 -5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 95 11.863 -2.816 -9.152 1.00 0.00 H new ATOM 0 HE1 TYR A 95 16.512 -3.493 -7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.748 -2.557 -10.732 1.00 0.00 H new ATOM 0 HH TYR A 95 17.027 -2.366 -9.686 1.00 0.00 H new ATOM 1380 N LEU A 96 13.061 -6.096 -4.892 1.00 0.00 N ATOM 1381 CA LEU A 96 14.009 -7.203 -4.547 1.00 0.00 C ATOM 1382 C LEU A 96 13.433 -8.663 -4.607 1.00 0.00 C ATOM 1383 O LEU A 96 14.172 -9.585 -4.958 1.00 0.00 O ATOM 1384 CB LEU A 96 14.649 -6.923 -3.157 1.00 0.00 C ATOM 1385 CG LEU A 96 15.568 -5.679 -3.016 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.908 -5.453 -1.533 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.870 -5.803 -3.829 1.00 0.00 C ATOM 0 H LEU A 96 12.904 -5.437 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 96 14.756 -7.190 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.842 -6.826 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.229 -7.801 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 96 15.018 -4.828 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.553 -4.580 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.989 -5.290 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.423 -6.330 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.472 -4.905 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.432 -6.672 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.629 -5.920 -4.886 1.00 0.00 H new ATOM 1399 N GLU A 97 12.138 -8.872 -4.303 1.00 0.00 N ATOM 1400 CA GLU A 97 11.415 -10.144 -4.605 1.00 0.00 C ATOM 1401 C GLU A 97 11.192 -10.437 -6.130 1.00 0.00 C ATOM 1402 O GLU A 97 11.443 -11.566 -6.557 1.00 0.00 O ATOM 1403 CB GLU A 97 10.064 -10.160 -3.829 1.00 0.00 C ATOM 1404 CG GLU A 97 10.186 -10.311 -2.293 1.00 0.00 C ATOM 1405 CD GLU A 97 8.866 -10.222 -1.532 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.101 -11.341 -1.698 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.548 -9.260 -0.838 1.00 0.00 O ATOM 0 H GLU A 97 11.556 -8.172 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 97 12.064 -10.953 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.528 -9.236 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.454 -10.979 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.652 -11.272 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.857 -9.538 -1.919 1.00 0.00 H new