USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 913 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 68 THR OG1 : rot -101:sc= 0.55 USER MOD Set 1.2: A 69 GLN : amide:sc= -1.36 K(o=-2.8,f=-8!) USER MOD Set 1.3: A 70 GLN : amide:sc= -1.95! C(o=-2.8!,f=-6.1!) USER MOD Set 2.1: A 23 CYS SG : rot 138:sc= 0.044 USER MOD Set 2.2: A 26 CYS SG : rot -61:sc= -2.32 USER MOD Set 2.3: A 43 CYS SG : rot -130:sc= -0.376 USER MOD Set 2.4: A 46 CYS SG : rot 139:sc= 0.271 USER MOD Set 3.1: A 35 ASN : amide:sc= -1.52 K(o=-1.9,f=-17!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.377 X(o=-1.9,f=-2.1) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -8.12! C(o=-13!,f=-16!) USER MOD Set 4.2: A 20 ASN : amide:sc= -5.15! C(o=-13!,f=-11!) USER MOD Set 5.1: A 10 MET CE :methyl 164:sc= -0.272 (180deg=0) USER MOD Set 5.2: A 76 GLN : amide:sc= -2.91! C(o=-3.2!,f=-5.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -55:sc= 1.28 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 0.736 (180deg=0.395) USER MOD Single : A 28 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.29) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -141:sc= -0.521 (180deg=-2.19!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 165:sc= 0.239 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.041) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -27:sc= 0.666 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0969 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00126) USER MOD Single : A 78 HIS : no HE2:sc= 0.0823 X(o=0.082,f=-0.38) USER MOD Single : A 80 ASN : amide:sc= -1.33 K(o=-1.3,f=-16!) USER MOD Single : A 83 CYS SG : rot -136:sc= -1.48 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.9!) USER MOD Single : A 114 LYS NZ :NH3+ 133:sc= -1.86! (180deg=-3.76!) USER MOD Single : A 115 TYR OH : rot 15:sc= 0.271 USER MOD Single : A 117 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.841) USER MOD Single : A 118 LYS NZ :NH3+ -136:sc= 0.324 (180deg=-0.145) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 4.028 -20.033 5.397 1.00 0.00 N ATOM 60 CA GLY A 7 3.283 -18.860 4.981 1.00 0.00 C ATOM 61 C GLY A 7 2.559 -18.194 6.134 1.00 0.00 C ATOM 62 O GLY A 7 2.604 -16.972 6.283 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.965 -18.144 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.559 -19.145 4.218 1.00 0.00 H new ATOM 66 N LEU A 8 1.887 -18.997 6.952 1.00 0.00 N ATOM 67 CA LEU A 8 1.148 -18.478 8.098 1.00 0.00 C ATOM 68 C LEU A 8 2.100 -17.942 9.162 1.00 0.00 C ATOM 69 O LEU A 8 1.955 -16.811 9.628 1.00 0.00 O ATOM 70 CB LEU A 8 0.260 -19.571 8.694 1.00 0.00 C ATOM 71 CG LEU A 8 -1.155 -19.673 8.123 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.998 -18.490 8.573 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.112 -19.753 6.604 1.00 0.00 C ATOM 0 H LEU A 8 1.839 -20.010 6.843 1.00 0.00 H new ATOM 0 HA LEU A 8 0.520 -17.657 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.757 -20.531 8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.185 -19.405 9.769 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.615 -20.586 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.002 -18.579 8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.056 -18.478 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.542 -17.564 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.127 -19.825 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.633 -18.858 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.544 -20.633 6.302 1.00 0.00 H new ATOM 85 N LYS A 9 3.075 -18.760 9.543 1.00 0.00 N ATOM 86 CA LYS A 9 4.053 -18.369 10.550 1.00 0.00 C ATOM 87 C LYS A 9 4.627 -16.989 10.244 1.00 0.00 C ATOM 88 O LYS A 9 4.754 -16.148 11.133 1.00 0.00 O ATOM 89 CB LYS A 9 5.183 -19.399 10.620 1.00 0.00 C ATOM 90 CG LYS A 9 6.015 -19.304 11.888 1.00 0.00 C ATOM 91 CD LYS A 9 7.425 -19.825 11.670 1.00 0.00 C ATOM 92 CE LYS A 9 8.409 -19.195 12.644 1.00 0.00 C ATOM 93 NZ LYS A 9 8.397 -19.881 13.966 1.00 0.00 N ATOM 0 H LYS A 9 3.209 -19.699 9.169 1.00 0.00 H new ATOM 0 HA LYS A 9 3.547 -18.327 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.756 -20.400 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.836 -19.269 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.057 -18.267 12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.534 -19.874 12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.436 -20.908 11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.738 -19.614 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.413 -19.236 12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.163 -18.142 12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.081 -19.422 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.445 -19.820 14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.657 -20.880 13.841 1.00 0.00 H new ATOM 107 N MET A 10 4.972 -16.764 8.980 1.00 0.00 N ATOM 108 CA MET A 10 5.529 -15.484 8.557 1.00 0.00 C ATOM 109 C MET A 10 4.480 -14.380 8.640 1.00 0.00 C ATOM 110 O MET A 10 4.782 -13.250 9.027 1.00 0.00 O ATOM 111 CB MET A 10 6.068 -15.586 7.129 1.00 0.00 C ATOM 112 CG MET A 10 7.450 -16.214 7.045 1.00 0.00 C ATOM 113 SD MET A 10 8.729 -15.180 7.783 1.00 0.00 S ATOM 114 CE MET A 10 9.325 -14.298 6.342 1.00 0.00 C ATOM 0 H MET A 10 4.876 -17.451 8.232 1.00 0.00 H new ATOM 0 HA MET A 10 6.349 -15.232 9.230 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.374 -16.174 6.528 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.104 -14.589 6.691 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.436 -17.182 7.547 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.697 -16.400 6.000 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.905 -13.432 6.660 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.955 -14.958 5.746 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.478 -13.967 5.742 1.00 0.00 H new ATOM 124 N LEU A 11 3.247 -14.713 8.273 1.00 0.00 N ATOM 125 CA LEU A 11 2.153 -13.749 8.306 1.00 0.00 C ATOM 126 C LEU A 11 2.159 -12.962 9.613 1.00 0.00 C ATOM 127 O LEU A 11 1.970 -11.745 9.617 1.00 0.00 O ATOM 128 CB LEU A 11 0.812 -14.464 8.135 1.00 0.00 C ATOM 129 CG LEU A 11 -0.412 -13.564 7.962 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.589 -14.361 7.422 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.775 -12.899 9.282 1.00 0.00 C ATOM 0 H LEU A 11 2.980 -15.643 7.949 1.00 0.00 H new ATOM 0 HA LEU A 11 2.293 -13.050 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.881 -15.120 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.649 -15.101 9.004 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.167 -12.784 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.451 -13.704 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.326 -14.789 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.836 -15.163 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.648 -12.262 9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.000 -13.664 10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.063 -12.294 9.627 1.00 0.00 H new ATOM 143 N ARG A 12 2.381 -13.664 10.719 1.00 0.00 N ATOM 144 CA ARG A 12 2.413 -13.030 12.032 1.00 0.00 C ATOM 145 C ARG A 12 3.536 -12.001 12.111 1.00 0.00 C ATOM 146 O ARG A 12 3.324 -10.868 12.545 1.00 0.00 O ATOM 147 CB ARG A 12 2.594 -14.084 13.126 1.00 0.00 C ATOM 148 CG ARG A 12 2.738 -13.497 14.520 1.00 0.00 C ATOM 149 CD ARG A 12 2.238 -14.460 15.585 1.00 0.00 C ATOM 150 NE ARG A 12 3.292 -15.357 16.051 1.00 0.00 N ATOM 151 CZ ARG A 12 4.246 -14.991 16.900 1.00 0.00 C ATOM 152 NH1 ARG A 12 4.277 -13.753 17.374 1.00 0.00 N ATOM 153 NH2 ARG A 12 5.171 -15.864 17.277 1.00 0.00 N ATOM 0 H ARG A 12 2.541 -14.671 10.733 1.00 0.00 H new ATOM 0 HA ARG A 12 1.463 -12.518 12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.739 -14.760 13.112 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.477 -14.682 12.900 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.784 -13.256 14.708 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.180 -12.563 14.582 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.844 -13.894 16.429 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.413 -15.048 15.183 1.00 0.00 H new ATOM 0 HE ARG A 12 3.296 -16.317 15.706 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.567 -13.079 17.087 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.011 -13.475 18.026 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.150 -16.817 16.915 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.903 -15.582 17.929 1.00 0.00 H new ATOM 167 N ASP A 13 4.730 -12.402 11.691 1.00 0.00 N ATOM 168 CA ASP A 13 5.887 -11.514 11.714 1.00 0.00 C ATOM 169 C ASP A 13 5.509 -10.116 11.236 1.00 0.00 C ATOM 170 O ASP A 13 5.969 -9.116 11.786 1.00 0.00 O ATOM 171 CB ASP A 13 7.008 -12.080 10.840 1.00 0.00 C ATOM 172 CG ASP A 13 8.189 -11.136 10.731 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.484 -10.437 11.723 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.820 -11.097 9.654 1.00 0.00 O ATOM 0 H ASP A 13 4.923 -13.336 11.330 1.00 0.00 H new ATOM 0 HA ASP A 13 6.239 -11.443 12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.343 -13.031 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.619 -12.287 9.843 1.00 0.00 H new ATOM 179 N MET A 14 4.668 -10.055 10.208 1.00 0.00 N ATOM 180 CA MET A 14 4.228 -8.779 9.656 1.00 0.00 C ATOM 181 C MET A 14 3.383 -8.012 10.668 1.00 0.00 C ATOM 182 O MET A 14 3.723 -6.895 11.058 1.00 0.00 O ATOM 183 CB MET A 14 3.429 -9.003 8.371 1.00 0.00 C ATOM 184 CG MET A 14 4.292 -9.068 7.122 1.00 0.00 C ATOM 185 SD MET A 14 3.323 -8.992 5.603 1.00 0.00 S ATOM 186 CE MET A 14 2.743 -10.683 5.487 1.00 0.00 C ATOM 0 H MET A 14 4.278 -10.874 9.741 1.00 0.00 H new ATOM 0 HA MET A 14 5.113 -8.186 9.425 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.864 -9.931 8.461 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.703 -8.198 8.259 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.005 -8.244 7.135 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.871 -9.991 7.133 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.127 -10.796 4.595 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.597 -11.357 5.426 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.151 -10.926 6.370 1.00 0.00 H new ATOM 196 N THR A 15 2.277 -8.618 11.089 1.00 0.00 N ATOM 197 CA THR A 15 1.382 -7.992 12.054 1.00 0.00 C ATOM 198 C THR A 15 2.159 -7.420 13.234 1.00 0.00 C ATOM 199 O THR A 15 1.852 -6.335 13.725 1.00 0.00 O ATOM 200 CB THR A 15 0.334 -8.991 12.579 1.00 0.00 C ATOM 201 OG1 THR A 15 0.978 -10.027 13.329 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.453 -9.604 11.431 1.00 0.00 C ATOM 0 H THR A 15 1.980 -9.542 10.776 1.00 0.00 H new ATOM 0 HA THR A 15 0.871 -7.182 11.532 1.00 0.00 H new ATOM 0 HB THR A 15 -0.358 -8.451 13.225 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.671 -10.447 12.778 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.187 -10.306 11.827 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.966 -8.816 10.880 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.229 -10.130 10.763 1.00 0.00 H new ATOM 210 N GLY A 16 3.169 -8.159 13.686 1.00 0.00 N ATOM 211 CA GLY A 16 3.975 -7.708 14.805 1.00 0.00 C ATOM 212 C GLY A 16 4.569 -6.333 14.576 1.00 0.00 C ATOM 213 O GLY A 16 4.751 -5.561 15.518 1.00 0.00 O ATOM 0 H GLY A 16 3.443 -9.061 13.297 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.362 -7.690 15.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.779 -8.423 14.981 1.00 0.00 H new ATOM 217 N LEU A 17 4.874 -6.024 13.320 1.00 0.00 N ATOM 218 CA LEU A 17 5.453 -4.732 12.969 1.00 0.00 C ATOM 219 C LEU A 17 4.644 -3.590 13.575 1.00 0.00 C ATOM 220 O LEU A 17 3.444 -3.710 13.825 1.00 0.00 O ATOM 221 CB LEU A 17 5.517 -4.576 11.449 1.00 0.00 C ATOM 222 CG LEU A 17 6.514 -5.479 10.722 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.320 -5.386 9.217 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.941 -5.111 11.102 1.00 0.00 C ATOM 0 H LEU A 17 4.730 -6.651 12.528 1.00 0.00 H new ATOM 0 HA LEU A 17 6.464 -4.692 13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.523 -4.765 11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.763 -3.539 11.220 1.00 0.00 H new ATOM 0 HG LEU A 17 6.332 -6.509 11.027 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.038 -6.035 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.308 -5.699 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.474 -4.357 8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.638 -5.764 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.135 -4.075 10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.074 -5.231 12.177 1.00 0.00 H new ATOM 236 N PRO A 18 5.313 -2.453 13.816 1.00 0.00 N ATOM 237 CA PRO A 18 4.676 -1.266 14.393 1.00 0.00 C ATOM 238 C PRO A 18 3.702 -0.602 13.425 1.00 0.00 C ATOM 239 O PRO A 18 2.591 -0.229 13.805 1.00 0.00 O ATOM 240 CB PRO A 18 5.856 -0.336 14.686 1.00 0.00 C ATOM 241 CG PRO A 18 6.916 -0.756 13.726 1.00 0.00 C ATOM 242 CD PRO A 18 6.744 -2.238 13.543 1.00 0.00 C ATOM 0 HA PRO A 18 4.080 -1.511 15.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.582 0.709 14.541 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.193 -0.437 15.718 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.813 -0.231 12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.908 -0.523 14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.012 -2.552 12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.373 -2.803 14.230 1.00 0.00 H new ATOM 250 N HIS A 19 4.125 -0.458 12.173 1.00 0.00 N ATOM 251 CA HIS A 19 3.288 0.159 11.150 1.00 0.00 C ATOM 252 C HIS A 19 2.085 -0.721 10.828 1.00 0.00 C ATOM 253 O HIS A 19 1.223 -0.344 10.036 1.00 0.00 O ATOM 254 CB HIS A 19 4.103 0.414 9.882 1.00 0.00 C ATOM 255 CG HIS A 19 5.094 -0.666 9.579 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.402 -0.631 10.015 1.00 0.00 N ATOM 257 CD2 HIS A 19 4.963 -1.818 8.881 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.033 -1.714 9.596 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.181 -2.451 8.906 1.00 0.00 N ATOM 0 H HIS A 19 5.042 -0.760 11.843 1.00 0.00 H new ATOM 0 HA HIS A 19 2.925 1.111 11.538 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.422 0.518 9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.631 1.362 9.984 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.818 0.114 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.067 -2.173 8.395 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.069 -1.955 9.785 1.00 0.00 H new ATOM 267 N ASN A 20 2.034 -1.896 11.448 1.00 0.00 N ATOM 268 CA ASN A 20 0.936 -2.830 11.225 1.00 0.00 C ATOM 269 C ASN A 20 0.030 -2.906 12.450 1.00 0.00 C ATOM 270 O ASN A 20 -1.163 -3.186 12.335 1.00 0.00 O ATOM 271 CB ASN A 20 1.482 -4.221 10.894 1.00 0.00 C ATOM 272 CG ASN A 20 1.693 -4.420 9.406 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.758 -4.744 8.673 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.926 -4.226 8.951 1.00 0.00 N ATOM 0 H ASN A 20 2.739 -2.224 12.108 1.00 0.00 H new ATOM 0 HA ASN A 20 0.348 -2.467 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.427 -4.371 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.790 -4.978 11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.128 -4.345 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.671 -3.958 9.594 1.00 0.00 H new ATOM 281 N ARG A 21 0.605 -2.653 13.621 1.00 0.00 N ATOM 282 CA ARG A 21 -0.151 -2.693 14.868 1.00 0.00 C ATOM 283 C ARG A 21 -1.568 -2.165 14.662 1.00 0.00 C ATOM 284 O ARG A 21 -2.513 -2.627 15.301 1.00 0.00 O ATOM 285 CB ARG A 21 0.559 -1.872 15.946 1.00 0.00 C ATOM 286 CG ARG A 21 1.865 -2.489 16.420 1.00 0.00 C ATOM 287 CD ARG A 21 1.631 -3.823 17.111 1.00 0.00 C ATOM 288 NE ARG A 21 0.624 -3.726 18.164 1.00 0.00 N ATOM 289 CZ ARG A 21 0.002 -4.778 18.686 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.284 -6.000 18.255 1.00 0.00 N ATOM 291 NH2 ARG A 21 -0.903 -4.608 19.641 1.00 0.00 N ATOM 0 H ARG A 21 1.591 -2.418 13.733 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.212 -3.731 15.193 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.759 -0.873 15.558 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.108 -1.754 16.800 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.532 -2.630 15.570 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.364 -1.805 17.106 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.315 -4.562 16.375 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.569 -4.179 17.538 1.00 0.00 H new ATOM 0 HE ARG A 21 0.385 -2.800 18.518 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.980 -6.134 17.521 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.195 -6.806 18.657 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.122 -3.669 19.975 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.380 -5.416 20.041 1.00 0.00 H new ATOM 305 N LYS A 22 -1.707 -1.194 13.765 1.00 0.00 N ATOM 306 CA LYS A 22 -3.007 -0.602 13.473 1.00 0.00 C ATOM 307 C LYS A 22 -3.241 -0.518 11.968 1.00 0.00 C ATOM 308 O LYS A 22 -2.322 -0.721 11.175 1.00 0.00 O ATOM 309 CB LYS A 22 -3.107 0.793 14.095 1.00 0.00 C ATOM 310 CG LYS A 22 -1.856 1.633 13.906 1.00 0.00 C ATOM 311 CD LYS A 22 -1.944 2.943 14.672 1.00 0.00 C ATOM 312 CE LYS A 22 -0.568 3.550 14.897 1.00 0.00 C ATOM 313 NZ LYS A 22 -0.098 4.317 13.710 1.00 0.00 N ATOM 0 H LYS A 22 -0.935 -0.800 13.228 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.775 -1.242 13.907 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.956 1.317 13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.310 0.693 15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.985 1.071 14.243 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.712 1.839 12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.568 3.647 14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.429 2.772 15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.599 4.208 15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.146 2.758 15.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.576 5.048 14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.369 3.671 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.911 4.768 13.244 1.00 0.00 H new ATOM 327 N CYS A 23 -4.476 -0.217 11.582 1.00 0.00 N ATOM 328 CA CYS A 23 -4.832 -0.104 10.173 1.00 0.00 C ATOM 329 C CYS A 23 -3.876 0.837 9.445 1.00 0.00 C ATOM 330 O CYS A 23 -2.951 1.385 10.044 1.00 0.00 O ATOM 331 CB CYS A 23 -6.270 0.397 10.026 1.00 0.00 C ATOM 332 SG CYS A 23 -7.113 -0.194 8.523 1.00 0.00 S ATOM 0 H CYS A 23 -5.248 -0.047 12.226 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.753 -1.094 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.844 0.084 10.898 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.265 1.487 10.022 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.330 -0.543 8.817 1.00 0.00 H new ATOM 337 N PHE A 24 -4.108 1.021 8.149 1.00 0.00 N ATOM 338 CA PHE A 24 -3.269 1.895 7.338 1.00 0.00 C ATOM 339 C PHE A 24 -3.934 3.253 7.136 1.00 0.00 C ATOM 340 O PHE A 24 -3.264 4.251 6.867 1.00 0.00 O ATOM 341 CB PHE A 24 -2.982 1.248 5.982 1.00 0.00 C ATOM 342 CG PHE A 24 -2.300 2.168 5.011 1.00 0.00 C ATOM 343 CD1 PHE A 24 -2.970 3.261 4.484 1.00 0.00 C ATOM 344 CD2 PHE A 24 -0.989 1.941 4.623 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.345 4.111 3.591 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.359 2.787 3.730 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.039 3.872 3.212 1.00 0.00 C ATOM 0 H PHE A 24 -4.871 0.576 7.638 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.328 2.046 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.359 0.366 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.920 0.904 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.993 3.451 4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.453 1.093 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.877 4.961 3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.664 2.600 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.550 4.533 2.511 1.00 0.00 H new ATOM 357 N ASP A 25 -5.256 3.283 7.266 1.00 0.00 N ATOM 358 CA ASP A 25 -6.013 4.518 7.098 1.00 0.00 C ATOM 359 C ASP A 25 -6.642 4.953 8.418 1.00 0.00 C ATOM 360 O ASP A 25 -6.244 5.960 9.005 1.00 0.00 O ATOM 361 CB ASP A 25 -7.100 4.335 6.038 1.00 0.00 C ATOM 362 CG ASP A 25 -6.532 3.929 4.692 1.00 0.00 C ATOM 363 OD1 ASP A 25 -5.778 4.730 4.100 1.00 0.00 O ATOM 364 OD2 ASP A 25 -6.841 2.811 4.230 1.00 0.00 O ATOM 0 H ASP A 25 -5.825 2.466 7.487 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.324 5.296 6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.808 3.577 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.657 5.265 5.929 1.00 0.00 H new ATOM 369 N CYS A 26 -7.626 4.189 8.880 1.00 0.00 N ATOM 370 CA CYS A 26 -8.312 4.496 10.129 1.00 0.00 C ATOM 371 C CYS A 26 -7.407 4.222 11.327 1.00 0.00 C ATOM 372 O CYS A 26 -7.796 4.443 12.475 1.00 0.00 O ATOM 373 CB CYS A 26 -9.595 3.672 10.246 1.00 0.00 C ATOM 374 SG CYS A 26 -9.317 1.908 10.602 1.00 0.00 S ATOM 0 H CYS A 26 -7.966 3.352 8.407 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.568 5.555 10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.216 4.097 11.034 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.156 3.760 9.316 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.626 1.375 9.639 1.00 0.00 H new ATOM 379 N ASP A 27 -6.200 3.741 11.052 1.00 0.00 N ATOM 380 CA ASP A 27 -5.239 3.438 12.107 1.00 0.00 C ATOM 381 C ASP A 27 -5.912 2.696 13.258 1.00 0.00 C ATOM 382 O ASP A 27 -5.556 2.884 14.421 1.00 0.00 O ATOM 383 CB ASP A 27 -4.592 4.725 12.622 1.00 0.00 C ATOM 384 CG ASP A 27 -3.372 5.122 11.815 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.378 4.908 10.584 1.00 0.00 O ATOM 386 OD2 ASP A 27 -2.410 5.647 12.413 1.00 0.00 O ATOM 0 H ASP A 27 -5.863 3.552 10.108 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.466 2.795 11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.323 5.533 12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.306 4.592 13.666 1.00 0.00 H new ATOM 391 N GLN A 28 -6.885 1.855 12.924 1.00 0.00 N ATOM 392 CA GLN A 28 -7.608 1.086 13.931 1.00 0.00 C ATOM 393 C GLN A 28 -6.742 -0.044 14.479 1.00 0.00 C ATOM 394 O GLN A 28 -6.594 -1.088 13.844 1.00 0.00 O ATOM 395 CB GLN A 28 -8.898 0.516 13.339 1.00 0.00 C ATOM 396 CG GLN A 28 -9.538 -0.562 14.199 1.00 0.00 C ATOM 397 CD GLN A 28 -9.895 -0.066 15.586 1.00 0.00 C ATOM 398 OE1 GLN A 28 -9.146 -0.267 16.542 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.045 0.588 15.703 1.00 0.00 N ATOM 0 H GLN A 28 -7.191 1.689 11.965 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.860 1.757 14.753 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.612 1.327 13.197 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.684 0.103 12.353 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.438 -0.928 13.705 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.855 -1.407 14.284 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.635 0.732 14.884 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.338 0.946 16.612 1.00 0.00 H new ATOM 408 N ARG A 29 -6.173 0.173 15.660 1.00 0.00 N ATOM 409 CA ARG A 29 -5.321 -0.827 16.292 1.00 0.00 C ATOM 410 C ARG A 29 -5.964 -2.210 16.225 1.00 0.00 C ATOM 411 O ARG A 29 -6.910 -2.502 16.955 1.00 0.00 O ATOM 412 CB ARG A 29 -5.050 -0.449 17.749 1.00 0.00 C ATOM 413 CG ARG A 29 -3.857 0.476 17.927 1.00 0.00 C ATOM 414 CD ARG A 29 -3.446 0.582 19.387 1.00 0.00 C ATOM 415 NE ARG A 29 -2.765 1.841 19.674 1.00 0.00 N ATOM 416 CZ ARG A 29 -1.519 2.106 19.296 1.00 0.00 C ATOM 417 NH1 ARG A 29 -0.823 1.204 18.618 1.00 0.00 N ATOM 418 NH2 ARG A 29 -0.968 3.276 19.595 1.00 0.00 N ATOM 0 H ARG A 29 -6.286 1.032 16.198 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.376 -0.858 15.750 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.937 0.032 18.162 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.883 -1.358 18.326 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.018 0.106 17.338 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.103 1.467 17.545 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.330 0.496 20.019 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.790 -0.251 19.640 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.274 2.557 20.193 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.244 0.304 18.385 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.133 1.410 18.329 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.501 3.973 20.115 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.011 3.478 19.304 1.00 0.00 H new ATOM 432 N GLY A 30 -5.442 -3.057 15.344 1.00 0.00 N ATOM 433 CA GLY A 30 -5.977 -4.398 15.197 1.00 0.00 C ATOM 434 C GLY A 30 -6.537 -4.651 13.812 1.00 0.00 C ATOM 435 O GLY A 30 -7.745 -4.804 13.625 1.00 0.00 O ATOM 0 H GLY A 30 -4.658 -2.839 14.729 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.191 -5.124 15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.762 -4.556 15.937 1.00 0.00 H new ATOM 439 N PRO A 31 -5.648 -4.696 12.809 1.00 0.00 N ATOM 440 CA PRO A 31 -6.037 -4.930 11.415 1.00 0.00 C ATOM 441 C PRO A 31 -6.521 -6.357 11.180 1.00 0.00 C ATOM 442 O PRO A 31 -5.999 -7.306 11.767 1.00 0.00 O ATOM 443 CB PRO A 31 -4.745 -4.669 10.637 1.00 0.00 C ATOM 444 CG PRO A 31 -3.653 -4.932 11.616 1.00 0.00 C ATOM 445 CD PRO A 31 -4.193 -4.522 12.958 1.00 0.00 C ATOM 0 HA PRO A 31 -6.869 -4.294 11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.666 -5.325 9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.706 -3.645 10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.372 -5.985 11.614 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.758 -4.363 11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.794 -5.145 13.759 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.934 -3.491 13.197 1.00 0.00 H new ATOM 453 N THR A 32 -7.522 -6.503 10.318 1.00 0.00 N ATOM 454 CA THR A 32 -8.076 -7.815 10.006 1.00 0.00 C ATOM 455 C THR A 32 -8.135 -8.043 8.500 1.00 0.00 C ATOM 456 O THR A 32 -8.779 -8.980 8.029 1.00 0.00 O ATOM 457 CB THR A 32 -9.490 -7.981 10.594 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.369 -6.992 10.045 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.464 -7.857 12.110 1.00 0.00 C ATOM 0 H THR A 32 -7.966 -5.729 9.823 1.00 0.00 H new ATOM 0 HA THR A 32 -7.413 -8.554 10.457 1.00 0.00 H new ATOM 0 HB THR A 32 -9.853 -8.975 10.332 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.266 -7.106 10.423 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.474 -7.978 12.502 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.818 -8.629 12.527 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.082 -6.875 12.388 1.00 0.00 H new ATOM 467 N TYR A 33 -7.457 -7.182 7.749 1.00 0.00 N ATOM 468 CA TYR A 33 -7.434 -7.289 6.295 1.00 0.00 C ATOM 469 C TYR A 33 -6.097 -6.811 5.735 1.00 0.00 C ATOM 470 O TYR A 33 -5.296 -6.202 6.444 1.00 0.00 O ATOM 471 CB TYR A 33 -8.576 -6.475 5.684 1.00 0.00 C ATOM 472 CG TYR A 33 -9.871 -7.245 5.564 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.710 -7.407 6.661 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.257 -7.812 4.356 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.894 -8.110 6.556 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.440 -8.515 4.242 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.255 -8.662 5.345 1.00 0.00 C ATOM 478 OH TYR A 33 -13.434 -9.363 5.236 1.00 0.00 O ATOM 0 H TYR A 33 -6.916 -6.402 8.123 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.564 -8.339 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.746 -5.588 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.276 -6.129 4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.431 -6.976 7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.620 -7.701 3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.534 -8.227 7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.726 -8.947 3.294 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.539 -9.685 4.316 1.00 0.00 H new ATOM 488 N VAL A 34 -5.865 -7.091 4.457 1.00 0.00 N ATOM 489 CA VAL A 34 -4.627 -6.689 3.799 1.00 0.00 C ATOM 490 C VAL A 34 -4.853 -6.430 2.314 1.00 0.00 C ATOM 491 O VAL A 34 -5.368 -7.285 1.596 1.00 0.00 O ATOM 492 CB VAL A 34 -3.532 -7.760 3.961 1.00 0.00 C ATOM 493 CG1 VAL A 34 -3.085 -7.852 5.412 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.028 -9.108 3.460 1.00 0.00 C ATOM 0 H VAL A 34 -6.518 -7.595 3.856 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.298 -5.768 4.280 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.671 -7.469 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.311 -8.614 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.687 -6.889 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.936 -8.119 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.242 -9.853 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.905 -9.409 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.293 -9.029 2.406 1.00 0.00 H new ATOM 504 N ASN A 35 -4.464 -5.242 1.861 1.00 0.00 N ATOM 505 CA ASN A 35 -4.624 -4.869 0.460 1.00 0.00 C ATOM 506 C ASN A 35 -3.543 -5.515 -0.402 1.00 0.00 C ATOM 507 O ASN A 35 -2.351 -5.327 -0.163 1.00 0.00 O ATOM 508 CB ASN A 35 -4.573 -3.348 0.307 1.00 0.00 C ATOM 509 CG ASN A 35 -5.010 -2.891 -1.072 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.733 -3.551 -2.074 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.696 -1.755 -1.129 1.00 0.00 N ATOM 0 H ASN A 35 -4.036 -4.522 2.443 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.596 -5.229 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.214 -2.888 1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.558 -3.000 0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.016 -1.397 -2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.903 -1.241 -0.273 1.00 0.00 H new ATOM 518 N MET A 36 -3.970 -6.275 -1.405 1.00 0.00 N ATOM 519 CA MET A 36 -3.038 -6.947 -2.304 1.00 0.00 C ATOM 520 C MET A 36 -2.519 -5.985 -3.368 1.00 0.00 C ATOM 521 O MET A 36 -1.398 -6.128 -3.856 1.00 0.00 O ATOM 522 CB MET A 36 -3.714 -8.146 -2.971 1.00 0.00 C ATOM 523 CG MET A 36 -3.778 -9.379 -2.083 1.00 0.00 C ATOM 524 SD MET A 36 -2.335 -10.444 -2.268 1.00 0.00 S ATOM 525 CE MET A 36 -1.385 -9.980 -0.822 1.00 0.00 C ATOM 0 H MET A 36 -4.954 -6.441 -1.616 1.00 0.00 H new ATOM 0 HA MET A 36 -2.192 -7.298 -1.713 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.726 -7.866 -3.263 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.175 -8.394 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.864 -9.068 -1.042 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.677 -9.947 -2.321 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.326 -9.944 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.707 -8.998 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.543 -10.714 -0.032 1.00 0.00 H new ATOM 535 N THR A 37 -3.343 -5.003 -3.724 1.00 0.00 N ATOM 536 CA THR A 37 -2.968 -4.019 -4.731 1.00 0.00 C ATOM 537 C THR A 37 -1.919 -3.052 -4.191 1.00 0.00 C ATOM 538 O THR A 37 -0.926 -2.763 -4.858 1.00 0.00 O ATOM 539 CB THR A 37 -4.190 -3.215 -5.213 1.00 0.00 C ATOM 540 OG1 THR A 37 -4.973 -4.007 -6.113 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.755 -1.933 -5.906 1.00 0.00 C ATOM 0 H THR A 37 -4.274 -4.869 -3.329 1.00 0.00 H new ATOM 0 HA THR A 37 -2.550 -4.572 -5.573 1.00 0.00 H new ATOM 0 HB THR A 37 -4.791 -2.953 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.749 -3.490 -6.414 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.635 -1.382 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.184 -1.319 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.134 -2.178 -6.768 1.00 0.00 H new ATOM 549 N VAL A 38 -2.147 -2.556 -2.979 1.00 0.00 N ATOM 550 CA VAL A 38 -1.220 -1.623 -2.349 1.00 0.00 C ATOM 551 C VAL A 38 -0.181 -2.362 -1.513 1.00 0.00 C ATOM 552 O VAL A 38 0.909 -1.848 -1.264 1.00 0.00 O ATOM 553 CB VAL A 38 -1.963 -0.615 -1.451 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.007 0.454 -0.945 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.126 0.011 -2.204 1.00 0.00 C ATOM 0 H VAL A 38 -2.965 -2.784 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.719 -1.083 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.363 -1.148 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.549 1.157 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.210 -0.014 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.575 0.987 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.640 0.720 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.751 0.531 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.822 -0.769 -2.512 1.00 0.00 H new ATOM 565 N GLY A 39 -0.526 -3.571 -1.082 1.00 0.00 N ATOM 566 CA GLY A 39 0.389 -4.362 -0.278 1.00 0.00 C ATOM 567 C GLY A 39 0.465 -3.879 1.156 1.00 0.00 C ATOM 568 O GLY A 39 1.505 -3.999 1.804 1.00 0.00 O ATOM 0 H GLY A 39 -1.423 -4.018 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.071 -5.405 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.383 -4.326 -0.723 1.00 0.00 H new ATOM 572 N SER A 40 -0.638 -3.329 1.654 1.00 0.00 N ATOM 573 CA SER A 40 -0.689 -2.821 3.020 1.00 0.00 C ATOM 574 C SER A 40 -1.671 -3.629 3.863 1.00 0.00 C ATOM 575 O SER A 40 -2.316 -4.554 3.370 1.00 0.00 O ATOM 576 CB SER A 40 -1.092 -1.345 3.023 1.00 0.00 C ATOM 577 OG SER A 40 -2.488 -1.197 2.827 1.00 0.00 O ATOM 0 H SER A 40 -1.508 -3.224 1.132 1.00 0.00 H new ATOM 0 HA SER A 40 0.305 -2.920 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.804 -0.888 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.553 -0.816 2.237 1.00 0.00 H new ATOM 0 HG SER A 40 -2.720 -0.245 2.835 1.00 0.00 H new ATOM 583 N PHE A 41 -1.777 -3.274 5.139 1.00 0.00 N ATOM 584 CA PHE A 41 -2.678 -3.966 6.053 1.00 0.00 C ATOM 585 C PHE A 41 -3.860 -3.077 6.429 1.00 0.00 C ATOM 586 O PHE A 41 -3.696 -2.053 7.092 1.00 0.00 O ATOM 587 CB PHE A 41 -1.928 -4.395 7.316 1.00 0.00 C ATOM 588 CG PHE A 41 -1.132 -5.657 7.140 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.100 -5.718 6.217 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.416 -6.782 7.897 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.635 -6.877 6.053 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.684 -7.943 7.738 1.00 0.00 C ATOM 593 CZ PHE A 41 0.341 -7.992 6.814 1.00 0.00 C ATOM 0 H PHE A 41 -1.250 -2.511 5.564 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.059 -4.852 5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.258 -3.592 7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.645 -4.537 8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.133 -4.850 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.218 -6.751 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.438 -6.911 5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.914 -8.812 8.336 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.912 -8.900 6.686 1.00 0.00 H new ATOM 603 N VAL A 42 -5.053 -3.476 5.998 1.00 0.00 N ATOM 604 CA VAL A 42 -6.264 -2.717 6.288 1.00 0.00 C ATOM 605 C VAL A 42 -7.234 -3.532 7.136 1.00 0.00 C ATOM 606 O VAL A 42 -6.928 -4.653 7.544 1.00 0.00 O ATOM 607 CB VAL A 42 -6.974 -2.277 4.994 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.125 -1.269 4.235 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.290 -3.484 4.124 1.00 0.00 C ATOM 0 H VAL A 42 -5.206 -4.320 5.447 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.957 -1.831 6.844 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.914 -1.795 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.643 -0.970 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.955 -0.392 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.168 -1.721 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.792 -3.155 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.364 -3.997 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.941 -4.166 4.671 1.00 0.00 H new ATOM 619 N CYS A 43 -8.405 -2.963 7.397 1.00 0.00 N ATOM 620 CA CYS A 43 -9.422 -3.636 8.196 1.00 0.00 C ATOM 621 C CYS A 43 -10.677 -3.901 7.369 1.00 0.00 C ATOM 622 O CYS A 43 -10.765 -3.502 6.207 1.00 0.00 O ATOM 623 CB CYS A 43 -9.776 -2.794 9.424 1.00 0.00 C ATOM 624 SG CYS A 43 -10.752 -1.303 9.047 1.00 0.00 S ATOM 0 H CYS A 43 -8.674 -2.036 7.067 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.016 -4.593 8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.334 -3.413 10.127 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.855 -2.495 9.924 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.200 -0.269 9.610 1.00 0.00 H new ATOM 629 N THR A 44 -11.647 -4.578 7.976 1.00 0.00 N ATOM 630 CA THR A 44 -12.896 -4.898 7.297 1.00 0.00 C ATOM 631 C THR A 44 -13.560 -3.641 6.746 1.00 0.00 C ATOM 632 O THR A 44 -14.139 -3.658 5.660 1.00 0.00 O ATOM 633 CB THR A 44 -13.881 -5.614 8.240 1.00 0.00 C ATOM 634 OG1 THR A 44 -15.163 -5.729 7.613 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.019 -4.858 9.553 1.00 0.00 C ATOM 0 H THR A 44 -11.591 -4.915 8.937 1.00 0.00 H new ATOM 0 HA THR A 44 -12.645 -5.565 6.472 1.00 0.00 H new ATOM 0 HB THR A 44 -13.490 -6.609 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.783 -6.187 8.218 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.720 -5.382 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.047 -4.797 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.390 -3.852 9.356 1.00 0.00 H new ATOM 643 N SER A 45 -13.471 -2.551 7.501 1.00 0.00 N ATOM 644 CA SER A 45 -14.066 -1.285 7.090 1.00 0.00 C ATOM 645 C SER A 45 -13.364 -0.731 5.854 1.00 0.00 C ATOM 646 O SER A 45 -13.947 -0.666 4.771 1.00 0.00 O ATOM 647 CB SER A 45 -13.993 -0.268 8.230 1.00 0.00 C ATOM 648 OG SER A 45 -14.678 0.926 7.894 1.00 0.00 O ATOM 0 H SER A 45 -12.992 -2.519 8.401 1.00 0.00 H new ATOM 0 HA SER A 45 -15.112 -1.467 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.427 -0.698 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.950 -0.042 8.454 1.00 0.00 H new ATOM 0 HG SER A 45 -14.618 1.559 8.640 1.00 0.00 H new ATOM 654 N CYS A 46 -12.108 -0.333 6.023 1.00 0.00 N ATOM 655 CA CYS A 46 -11.324 0.216 4.924 1.00 0.00 C ATOM 656 C CYS A 46 -11.293 -0.749 3.742 1.00 0.00 C ATOM 657 O CYS A 46 -11.080 -0.342 2.600 1.00 0.00 O ATOM 658 CB CYS A 46 -9.897 0.517 5.387 1.00 0.00 C ATOM 659 SG CYS A 46 -9.801 1.640 6.819 1.00 0.00 S ATOM 0 H CYS A 46 -11.611 -0.381 6.912 1.00 0.00 H new ATOM 0 HA CYS A 46 -11.798 1.143 4.602 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.403 -0.421 5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.342 0.955 4.557 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.885 1.219 7.640 1.00 0.00 H new ATOM 664 N SER A 47 -11.508 -2.030 4.026 1.00 0.00 N ATOM 665 CA SER A 47 -11.502 -3.054 2.988 1.00 0.00 C ATOM 666 C SER A 47 -12.719 -2.913 2.078 1.00 0.00 C ATOM 667 O SER A 47 -12.590 -2.823 0.858 1.00 0.00 O ATOM 668 CB SER A 47 -11.481 -4.448 3.617 1.00 0.00 C ATOM 669 OG SER A 47 -12.136 -5.392 2.788 1.00 0.00 O ATOM 0 H SER A 47 -11.688 -2.383 4.966 1.00 0.00 H new ATOM 0 HA SER A 47 -10.603 -2.921 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.450 -4.760 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.966 -4.417 4.592 1.00 0.00 H new ATOM 0 HG SER A 47 -11.904 -6.299 3.079 1.00 0.00 H new ATOM 675 N GLY A 48 -13.903 -2.894 2.683 1.00 0.00 N ATOM 676 CA GLY A 48 -15.127 -2.764 1.914 1.00 0.00 C ATOM 677 C GLY A 48 -15.167 -1.487 1.099 1.00 0.00 C ATOM 678 O GLY A 48 -15.806 -1.433 0.049 1.00 0.00 O ATOM 0 H GLY A 48 -14.036 -2.966 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.226 -3.620 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.981 -2.787 2.590 1.00 0.00 H new ATOM 682 N SER A 49 -14.483 -0.455 1.585 1.00 0.00 N ATOM 683 CA SER A 49 -14.448 0.830 0.896 1.00 0.00 C ATOM 684 C SER A 49 -13.392 0.827 -0.205 1.00 0.00 C ATOM 685 O SER A 49 -13.627 1.323 -1.308 1.00 0.00 O ATOM 686 CB SER A 49 -14.161 1.957 1.891 1.00 0.00 C ATOM 687 OG SER A 49 -14.025 3.201 1.226 1.00 0.00 O ATOM 0 H SER A 49 -13.946 -0.484 2.452 1.00 0.00 H new ATOM 0 HA SER A 49 -15.423 0.997 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.969 2.017 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.248 1.735 2.444 1.00 0.00 H new ATOM 0 HG SER A 49 -13.844 3.905 1.883 1.00 0.00 H new ATOM 693 N LEU A 50 -12.228 0.265 0.102 1.00 0.00 N ATOM 694 CA LEU A 50 -11.134 0.197 -0.861 1.00 0.00 C ATOM 695 C LEU A 50 -11.606 -0.407 -2.180 1.00 0.00 C ATOM 696 O LEU A 50 -11.189 0.023 -3.255 1.00 0.00 O ATOM 697 CB LEU A 50 -9.979 -0.630 -0.293 1.00 0.00 C ATOM 698 CG LEU A 50 -8.993 0.121 0.604 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.229 -0.851 1.488 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.032 0.949 -0.237 1.00 0.00 C ATOM 0 H LEU A 50 -12.017 -0.150 1.010 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.787 1.213 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.398 -1.460 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.425 -1.063 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.557 0.797 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.533 -0.299 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.931 -1.400 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.675 -1.552 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.338 1.477 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.474 0.292 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.595 1.672 -0.827 1.00 0.00 H new ATOM 712 N ARG A 51 -12.479 -1.404 -2.088 1.00 0.00 N ATOM 713 CA ARG A 51 -13.009 -2.067 -3.274 1.00 0.00 C ATOM 714 C ARG A 51 -13.900 -1.120 -4.073 1.00 0.00 C ATOM 715 O ARG A 51 -13.824 -1.067 -5.300 1.00 0.00 O ATOM 716 CB ARG A 51 -13.800 -3.314 -2.877 1.00 0.00 C ATOM 717 CG ARG A 51 -12.933 -4.435 -2.325 1.00 0.00 C ATOM 718 CD ARG A 51 -13.680 -5.759 -2.306 1.00 0.00 C ATOM 719 NE ARG A 51 -12.778 -6.898 -2.458 1.00 0.00 N ATOM 720 CZ ARG A 51 -13.127 -8.152 -2.192 1.00 0.00 C ATOM 721 NH1 ARG A 51 -14.352 -8.426 -1.765 1.00 0.00 N ATOM 722 NH2 ARG A 51 -12.250 -9.134 -2.355 1.00 0.00 N ATOM 0 H ARG A 51 -12.835 -1.771 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.168 -2.363 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.544 -3.039 -2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.344 -3.681 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.033 -4.533 -2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.611 -4.183 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.228 -5.853 -1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.417 -5.771 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.829 -6.721 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.029 -7.673 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.618 -9.390 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.307 -8.926 -2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.518 -10.097 -2.151 1.00 0.00 H new ATOM 736 N GLY A 52 -14.745 -0.374 -3.368 1.00 0.00 N ATOM 737 CA GLY A 52 -15.638 0.560 -4.028 1.00 0.00 C ATOM 738 C GLY A 52 -14.911 1.472 -4.996 1.00 0.00 C ATOM 739 O GLY A 52 -15.447 1.829 -6.046 1.00 0.00 O ATOM 0 H GLY A 52 -14.827 -0.400 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.407 0.005 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.147 1.164 -3.277 1.00 0.00 H new ATOM 743 N LEU A 53 -13.688 1.853 -4.644 1.00 0.00 N ATOM 744 CA LEU A 53 -12.887 2.731 -5.489 1.00 0.00 C ATOM 745 C LEU A 53 -12.792 2.183 -6.909 1.00 0.00 C ATOM 746 O LEU A 53 -13.123 1.025 -7.161 1.00 0.00 O ATOM 747 CB LEU A 53 -11.485 2.897 -4.900 1.00 0.00 C ATOM 748 CG LEU A 53 -11.417 3.409 -3.460 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.001 3.297 -2.920 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.908 4.848 -3.383 1.00 0.00 C ATOM 0 H LEU A 53 -13.229 1.567 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.377 3.704 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.977 1.934 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.925 3.583 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.068 2.790 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.972 3.666 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.686 2.254 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.328 3.891 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.853 5.197 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.283 5.480 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.940 4.899 -3.729 1.00 0.00 H new ATOM 762 N ASN A 54 -12.337 3.023 -7.833 1.00 0.00 N ATOM 763 CA ASN A 54 -12.197 2.622 -9.228 1.00 0.00 C ATOM 764 C ASN A 54 -10.830 3.020 -9.774 1.00 0.00 C ATOM 765 O ASN A 54 -10.470 4.197 -9.819 1.00 0.00 O ATOM 766 CB ASN A 54 -13.302 3.256 -10.076 1.00 0.00 C ATOM 767 CG ASN A 54 -13.161 2.927 -11.549 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.768 1.978 -12.046 1.00 0.00 O ATOM 769 ND2 ASN A 54 -12.356 3.711 -12.256 1.00 0.00 N ATOM 0 H ASN A 54 -12.059 3.985 -7.641 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.287 1.537 -9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.273 2.910 -9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.282 4.338 -9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.221 3.538 -13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.873 4.487 -11.803 1.00 0.00 H new ATOM 776 N PRO A 55 -10.048 2.017 -10.201 1.00 0.00 N ATOM 777 CA PRO A 55 -10.465 0.613 -10.152 1.00 0.00 C ATOM 778 C PRO A 55 -10.539 0.079 -8.726 1.00 0.00 C ATOM 779 O PRO A 55 -9.913 0.607 -7.806 1.00 0.00 O ATOM 780 CB PRO A 55 -9.368 -0.111 -10.937 1.00 0.00 C ATOM 781 CG PRO A 55 -8.172 0.769 -10.814 1.00 0.00 C ATOM 782 CD PRO A 55 -8.696 2.177 -10.763 1.00 0.00 C ATOM 0 HA PRO A 55 -11.465 0.471 -10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.175 -1.102 -10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.653 -0.249 -11.980 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.604 0.531 -9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.499 0.634 -11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.073 2.815 -10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.724 2.632 -11.753 1.00 0.00 H new ATOM 790 N PRO A 56 -11.321 -0.993 -8.534 1.00 0.00 N ATOM 791 CA PRO A 56 -11.494 -1.623 -7.221 1.00 0.00 C ATOM 792 C PRO A 56 -10.232 -2.337 -6.750 1.00 0.00 C ATOM 793 O PRO A 56 -9.759 -3.274 -7.394 1.00 0.00 O ATOM 794 CB PRO A 56 -12.623 -2.630 -7.456 1.00 0.00 C ATOM 795 CG PRO A 56 -12.557 -2.939 -8.912 1.00 0.00 C ATOM 796 CD PRO A 56 -12.097 -1.675 -9.584 1.00 0.00 C ATOM 0 HA PRO A 56 -11.713 -0.891 -6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.484 -3.528 -6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.591 -2.210 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.865 -3.758 -9.106 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.531 -3.249 -9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.486 -1.886 -10.462 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.939 -1.069 -9.919 1.00 0.00 H new ATOM 804 N HIS A 57 -9.691 -1.890 -5.621 1.00 0.00 N ATOM 805 CA HIS A 57 -8.484 -2.488 -5.063 1.00 0.00 C ATOM 806 C HIS A 57 -8.778 -3.870 -4.488 1.00 0.00 C ATOM 807 O HIS A 57 -9.934 -4.225 -4.261 1.00 0.00 O ATOM 808 CB HIS A 57 -7.897 -1.585 -3.977 1.00 0.00 C ATOM 809 CG HIS A 57 -7.333 -0.302 -4.504 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.414 0.457 -3.812 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.562 0.354 -5.666 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.103 1.526 -4.523 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.786 1.487 -5.653 1.00 0.00 N ATOM 0 H HIS A 57 -10.069 -1.116 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.757 -2.596 -5.868 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.673 -1.358 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.112 -2.128 -3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.230 0.044 -6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.409 2.300 -4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.744 2.185 -6.395 1.00 0.00 H new ATOM 821 N ARG A 58 -7.724 -4.645 -4.255 1.00 0.00 N ATOM 822 CA ARG A 58 -7.870 -5.989 -3.709 1.00 0.00 C ATOM 823 C ARG A 58 -7.739 -5.975 -2.189 1.00 0.00 C ATOM 824 O ARG A 58 -6.926 -5.238 -1.632 1.00 0.00 O ATOM 825 CB ARG A 58 -6.821 -6.925 -4.314 1.00 0.00 C ATOM 826 CG ARG A 58 -7.066 -7.249 -5.778 1.00 0.00 C ATOM 827 CD ARG A 58 -7.968 -8.463 -5.937 1.00 0.00 C ATOM 828 NE ARG A 58 -8.256 -8.751 -7.340 1.00 0.00 N ATOM 829 CZ ARG A 58 -8.784 -9.895 -7.762 1.00 0.00 C ATOM 830 NH1 ARG A 58 -9.079 -10.852 -6.894 1.00 0.00 N ATOM 831 NH2 ARG A 58 -9.017 -10.082 -9.054 1.00 0.00 N ATOM 0 H ARG A 58 -6.760 -4.365 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.864 -6.353 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.837 -6.468 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.803 -7.853 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.521 -6.390 -6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.114 -7.434 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.492 -9.330 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.903 -8.293 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.040 -8.035 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.901 -10.711 -5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.484 -11.729 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.791 -9.347 -9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.422 -10.960 -9.377 1.00 0.00 H new ATOM 845 N VAL A 59 -8.545 -6.796 -1.523 1.00 0.00 N ATOM 846 CA VAL A 59 -8.519 -6.879 -0.068 1.00 0.00 C ATOM 847 C VAL A 59 -8.910 -8.273 0.411 1.00 0.00 C ATOM 848 O VAL A 59 -9.973 -8.785 0.062 1.00 0.00 O ATOM 849 CB VAL A 59 -9.466 -5.845 0.570 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.734 -4.536 0.825 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.683 -5.621 -0.314 1.00 0.00 C ATOM 0 H VAL A 59 -9.224 -7.413 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.496 -6.665 0.243 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.808 -6.235 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.419 -3.818 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.897 -4.713 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.361 -4.138 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.341 -4.888 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.362 -5.253 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.219 -6.562 -0.440 1.00 0.00 H new ATOM 861 N LYS A 60 -8.043 -8.882 1.212 1.00 0.00 N ATOM 862 CA LYS A 60 -8.296 -10.217 1.741 1.00 0.00 C ATOM 863 C LYS A 60 -8.024 -10.268 3.241 1.00 0.00 C ATOM 864 O LYS A 60 -7.064 -9.673 3.728 1.00 0.00 O ATOM 865 CB LYS A 60 -7.426 -11.248 1.018 1.00 0.00 C ATOM 866 CG LYS A 60 -7.898 -11.562 -0.391 1.00 0.00 C ATOM 867 CD LYS A 60 -6.770 -12.110 -1.248 1.00 0.00 C ATOM 868 CE LYS A 60 -6.578 -13.603 -1.027 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.568 -14.176 -1.960 1.00 0.00 N ATOM 0 H LYS A 60 -7.158 -8.472 1.510 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.346 -10.455 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.401 -10.880 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.410 -12.169 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.710 -12.287 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.300 -10.659 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.986 -11.921 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.845 -11.584 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.264 -13.781 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.530 -14.116 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.466 -15.195 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.879 -14.029 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.653 -13.705 -1.813 1.00 0.00 H new ATOM 883 N SER A 61 -8.876 -10.985 3.968 1.00 0.00 N ATOM 884 CA SER A 61 -8.728 -11.112 5.413 1.00 0.00 C ATOM 885 C SER A 61 -7.325 -11.587 5.776 1.00 0.00 C ATOM 886 O SER A 61 -6.557 -12.008 4.910 1.00 0.00 O ATOM 887 CB SER A 61 -9.769 -12.086 5.969 1.00 0.00 C ATOM 888 OG SER A 61 -11.083 -11.665 5.651 1.00 0.00 O ATOM 0 H SER A 61 -9.675 -11.486 3.580 1.00 0.00 H new ATOM 0 HA SER A 61 -8.886 -10.129 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.594 -13.082 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.660 -12.161 7.051 1.00 0.00 H new ATOM 0 HG SER A 61 -11.097 -10.691 5.541 1.00 0.00 H new ATOM 894 N ILE A 62 -6.997 -11.515 7.062 1.00 0.00 N ATOM 895 CA ILE A 62 -5.687 -11.939 7.540 1.00 0.00 C ATOM 896 C ILE A 62 -5.684 -13.422 7.894 1.00 0.00 C ATOM 897 O ILE A 62 -4.853 -14.186 7.402 1.00 0.00 O ATOM 898 CB ILE A 62 -5.249 -11.128 8.774 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.964 -9.676 8.382 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.022 -11.759 9.415 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.592 -8.796 9.555 1.00 0.00 C ATOM 0 H ILE A 62 -7.620 -11.167 7.791 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.982 -11.760 6.728 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.060 -11.136 9.502 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.154 -9.657 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.844 -9.261 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.725 -11.174 10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.256 -12.777 9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.204 -11.778 8.695 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.404 -7.782 9.204 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.410 -8.785 10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.694 -9.187 10.033 1.00 0.00 H new ATOM 913 N SER A 63 -6.619 -13.823 8.749 1.00 0.00 N ATOM 914 CA SER A 63 -6.724 -15.215 9.170 1.00 0.00 C ATOM 915 C SER A 63 -7.873 -15.916 8.452 1.00 0.00 C ATOM 916 O SER A 63 -7.774 -17.090 8.097 1.00 0.00 O ATOM 917 CB SER A 63 -6.928 -15.298 10.684 1.00 0.00 C ATOM 918 OG SER A 63 -8.132 -14.659 11.072 1.00 0.00 O ATOM 0 H SER A 63 -7.315 -13.203 9.164 1.00 0.00 H new ATOM 0 HA SER A 63 -5.794 -15.719 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.951 -16.343 10.994 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.085 -14.832 11.194 1.00 0.00 H new ATOM 0 HG SER A 63 -8.240 -14.727 12.044 1.00 0.00 H new ATOM 924 N MET A 64 -8.963 -15.185 8.241 1.00 0.00 N ATOM 925 CA MET A 64 -10.132 -15.735 7.564 1.00 0.00 C ATOM 926 C MET A 64 -9.784 -16.166 6.142 1.00 0.00 C ATOM 927 O MET A 64 -10.532 -16.910 5.507 1.00 0.00 O ATOM 928 CB MET A 64 -11.263 -14.706 7.535 1.00 0.00 C ATOM 929 CG MET A 64 -12.096 -14.682 8.806 1.00 0.00 C ATOM 930 SD MET A 64 -11.249 -13.872 10.177 1.00 0.00 S ATOM 931 CE MET A 64 -12.406 -12.559 10.560 1.00 0.00 C ATOM 0 H MET A 64 -9.061 -14.211 8.529 1.00 0.00 H new ATOM 0 HA MET A 64 -10.463 -16.612 8.120 1.00 0.00 H new ATOM 0 HB2 MET A 64 -10.838 -13.716 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.915 -14.918 6.687 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.036 -14.167 8.610 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.346 -15.704 9.091 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.022 -11.967 11.391 1.00 0.00 H new ATOM 0 HE2 MET A 64 -12.533 -11.919 9.687 1.00 0.00 H new ATOM 0 HE3 MET A 64 -13.368 -12.991 10.836 1.00 0.00 H new ATOM 941 N THR A 65 -8.644 -15.693 5.648 1.00 0.00 N ATOM 942 CA THR A 65 -8.199 -16.028 4.301 1.00 0.00 C ATOM 943 C THR A 65 -6.868 -16.770 4.331 1.00 0.00 C ATOM 944 O THR A 65 -6.073 -16.606 5.258 1.00 0.00 O ATOM 945 CB THR A 65 -8.050 -14.767 3.429 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.308 -14.090 3.327 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.549 -15.127 2.038 1.00 0.00 C ATOM 0 H THR A 65 -8.013 -15.077 6.160 1.00 0.00 H new ATOM 0 HA THR A 65 -8.963 -16.673 3.867 1.00 0.00 H new ATOM 0 HB THR A 65 -7.321 -14.109 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.204 -13.289 2.773 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.452 -14.221 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.578 -15.616 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.258 -15.803 1.559 1.00 0.00 H new ATOM 955 N THR A 66 -6.628 -17.588 3.311 1.00 0.00 N ATOM 956 CA THR A 66 -5.393 -18.357 3.221 1.00 0.00 C ATOM 957 C THR A 66 -4.451 -17.764 2.179 1.00 0.00 C ATOM 958 O THR A 66 -4.793 -17.670 1.000 1.00 0.00 O ATOM 959 CB THR A 66 -5.673 -19.829 2.865 1.00 0.00 C ATOM 960 OG1 THR A 66 -6.918 -20.244 3.437 1.00 0.00 O ATOM 961 CG2 THR A 66 -4.553 -20.729 3.366 1.00 0.00 C ATOM 0 H THR A 66 -7.273 -17.735 2.535 1.00 0.00 H new ATOM 0 HA THR A 66 -4.920 -18.312 4.202 1.00 0.00 H new ATOM 0 HB THR A 66 -5.727 -19.913 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.089 -21.180 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.773 -21.764 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.612 -20.429 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.471 -20.639 4.449 1.00 0.00 H new ATOM 969 N PHE A 67 -3.263 -17.366 2.622 1.00 0.00 N ATOM 970 CA PHE A 67 -2.271 -16.781 1.727 1.00 0.00 C ATOM 971 C PHE A 67 -1.214 -17.811 1.339 1.00 0.00 C ATOM 972 O PHE A 67 -1.272 -18.967 1.762 1.00 0.00 O ATOM 973 CB PHE A 67 -1.604 -15.574 2.390 1.00 0.00 C ATOM 974 CG PHE A 67 -2.548 -14.435 2.648 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.785 -13.479 1.674 1.00 0.00 C ATOM 976 CD2 PHE A 67 -3.199 -14.320 3.866 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.652 -12.429 1.910 1.00 0.00 C ATOM 978 CE2 PHE A 67 -4.068 -13.272 4.108 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.296 -12.326 3.127 1.00 0.00 C ATOM 0 H PHE A 67 -2.964 -17.438 3.594 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.783 -16.453 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.159 -15.888 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.790 -15.224 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.286 -13.555 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.026 -15.058 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.826 -11.689 1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.568 -13.193 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.976 -11.508 3.312 1.00 0.00 H new ATOM 989 N THR A 68 -0.249 -17.384 0.531 1.00 0.00 N ATOM 990 CA THR A 68 0.820 -18.268 0.084 1.00 0.00 C ATOM 991 C THR A 68 2.163 -17.547 0.079 1.00 0.00 C ATOM 992 O THR A 68 2.224 -16.331 -0.098 1.00 0.00 O ATOM 993 CB THR A 68 0.541 -18.819 -1.327 1.00 0.00 C ATOM 994 OG1 THR A 68 1.714 -19.455 -1.846 1.00 0.00 O ATOM 995 CG2 THR A 68 0.103 -17.706 -2.266 1.00 0.00 C ATOM 0 H THR A 68 -0.186 -16.431 0.173 1.00 0.00 H new ATOM 0 HA THR A 68 0.859 -19.098 0.789 1.00 0.00 H new ATOM 0 HB THR A 68 -0.265 -19.549 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.161 -18.852 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.088 -18.120 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.807 -17.244 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.890 -16.955 -2.332 1.00 0.00 H new ATOM 1003 N GLN A 69 3.238 -18.306 0.273 1.00 0.00 N ATOM 1004 CA GLN A 69 4.580 -17.738 0.290 1.00 0.00 C ATOM 1005 C GLN A 69 4.691 -16.572 -0.687 1.00 0.00 C ATOM 1006 O GLN A 69 5.335 -15.565 -0.396 1.00 0.00 O ATOM 1007 CB GLN A 69 5.615 -18.809 -0.056 1.00 0.00 C ATOM 1008 CG GLN A 69 7.015 -18.486 0.439 1.00 0.00 C ATOM 1009 CD GLN A 69 7.747 -17.517 -0.469 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.321 -17.264 -1.596 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.854 -16.970 0.018 1.00 0.00 N ATOM 0 H GLN A 69 3.205 -19.315 0.420 1.00 0.00 H new ATOM 0 HA GLN A 69 4.776 -17.365 1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.298 -19.760 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.642 -18.940 -1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.953 -18.062 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.590 -19.409 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.170 -17.209 0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.389 -16.311 -0.548 1.00 0.00 H new ATOM 1020 N GLN A 70 4.058 -16.717 -1.847 1.00 0.00 N ATOM 1021 CA GLN A 70 4.087 -15.676 -2.868 1.00 0.00 C ATOM 1022 C GLN A 70 3.616 -14.342 -2.299 1.00 0.00 C ATOM 1023 O GLN A 70 4.378 -13.378 -2.242 1.00 0.00 O ATOM 1024 CB GLN A 70 3.211 -16.074 -4.057 1.00 0.00 C ATOM 1025 CG GLN A 70 3.734 -17.281 -4.821 1.00 0.00 C ATOM 1026 CD GLN A 70 4.507 -18.240 -3.938 1.00 0.00 C ATOM 1027 OE1 GLN A 70 3.927 -19.114 -3.293 1.00 0.00 O ATOM 1028 NE2 GLN A 70 5.825 -18.082 -3.904 1.00 0.00 N ATOM 0 H GLN A 70 3.519 -17.544 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 70 5.117 -15.563 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.204 -16.289 -3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.133 -15.228 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.896 -17.808 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.377 -16.942 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.265 -17.344 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.398 -18.698 -3.327 1.00 0.00 H new ATOM 1037 N GLU A 71 2.356 -14.296 -1.878 1.00 0.00 N ATOM 1038 CA GLU A 71 1.784 -13.079 -1.314 1.00 0.00 C ATOM 1039 C GLU A 71 2.617 -12.582 -0.136 1.00 0.00 C ATOM 1040 O GLU A 71 3.069 -11.436 -0.121 1.00 0.00 O ATOM 1041 CB GLU A 71 0.342 -13.326 -0.865 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.539 -13.921 -1.951 1.00 0.00 C ATOM 1043 CD GLU A 71 -0.591 -13.058 -3.197 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -0.113 -11.906 -3.141 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -1.111 -13.535 -4.228 1.00 0.00 O ATOM 0 H GLU A 71 1.713 -15.086 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 71 1.789 -12.313 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.348 -13.996 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.093 -12.384 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.166 -14.911 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.549 -14.053 -1.563 1.00 0.00 H new ATOM 1052 N ILE A 72 2.814 -13.451 0.850 1.00 0.00 N ATOM 1053 CA ILE A 72 3.592 -13.100 2.031 1.00 0.00 C ATOM 1054 C ILE A 72 4.794 -12.237 1.663 1.00 0.00 C ATOM 1055 O ILE A 72 5.057 -11.218 2.300 1.00 0.00 O ATOM 1056 CB ILE A 72 4.085 -14.357 2.773 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.902 -15.120 3.372 1.00 0.00 C ATOM 1058 CG2 ILE A 72 5.080 -13.975 3.860 1.00 0.00 C ATOM 1059 CD1 ILE A 72 2.119 -14.319 4.388 1.00 0.00 C ATOM 0 H ILE A 72 2.446 -14.402 0.854 1.00 0.00 H new ATOM 0 HA ILE A 72 2.931 -12.535 2.688 1.00 0.00 H new ATOM 0 HB ILE A 72 4.589 -15.008 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.232 -15.425 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.269 -16.031 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.419 -14.874 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.935 -13.471 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.599 -13.307 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.296 -14.922 4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.775 -14.036 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.722 -13.421 3.915 1.00 0.00 H new ATOM 1071 N GLU A 73 5.519 -12.652 0.628 1.00 0.00 N ATOM 1072 CA GLU A 73 6.692 -11.915 0.174 1.00 0.00 C ATOM 1073 C GLU A 73 6.296 -10.554 -0.389 1.00 0.00 C ATOM 1074 O GLU A 73 6.907 -9.535 -0.068 1.00 0.00 O ATOM 1075 CB GLU A 73 7.447 -12.719 -0.887 1.00 0.00 C ATOM 1076 CG GLU A 73 8.508 -13.641 -0.312 1.00 0.00 C ATOM 1077 CD GLU A 73 9.859 -12.965 -0.179 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.297 -12.315 -1.151 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.478 -13.086 0.899 1.00 0.00 O ATOM 0 H GLU A 73 5.314 -13.494 0.089 1.00 0.00 H new ATOM 0 HA GLU A 73 7.345 -11.757 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.733 -13.313 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.918 -12.029 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.185 -13.994 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.606 -14.519 -0.951 1.00 0.00 H new ATOM 1086 N PHE A 74 5.268 -10.545 -1.231 1.00 0.00 N ATOM 1087 CA PHE A 74 4.790 -9.310 -1.841 1.00 0.00 C ATOM 1088 C PHE A 74 4.417 -8.285 -0.774 1.00 0.00 C ATOM 1089 O PHE A 74 4.881 -7.144 -0.803 1.00 0.00 O ATOM 1090 CB PHE A 74 3.582 -9.593 -2.737 1.00 0.00 C ATOM 1091 CG PHE A 74 2.805 -8.360 -3.103 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.249 -7.520 -4.111 1.00 0.00 C ATOM 1093 CD2 PHE A 74 1.632 -8.042 -2.438 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.537 -6.385 -4.451 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.915 -6.909 -2.774 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.369 -6.079 -3.780 1.00 0.00 C ATOM 0 H PHE A 74 4.750 -11.379 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 74 5.596 -8.899 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.923 -10.082 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.919 -10.293 -2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.162 -7.755 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.274 -8.686 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.893 -5.739 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.000 -6.673 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.812 -5.192 -4.042 1.00 0.00 H new ATOM 1106 N LEU A 75 3.576 -8.700 0.167 1.00 0.00 N ATOM 1107 CA LEU A 75 3.140 -7.819 1.245 1.00 0.00 C ATOM 1108 C LEU A 75 4.334 -7.278 2.024 1.00 0.00 C ATOM 1109 O LEU A 75 4.540 -6.067 2.100 1.00 0.00 O ATOM 1110 CB LEU A 75 2.196 -8.565 2.190 1.00 0.00 C ATOM 1111 CG LEU A 75 0.734 -8.649 1.750 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.055 -9.855 2.381 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -0.006 -7.369 2.110 1.00 0.00 C ATOM 0 H LEU A 75 3.183 -9.640 0.205 1.00 0.00 H new ATOM 0 HA LEU A 75 2.609 -6.978 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.573 -9.579 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.234 -8.081 3.166 1.00 0.00 H new ATOM 0 HG LEU A 75 0.707 -8.768 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.985 -9.898 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.570 -10.765 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.093 -9.767 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.045 -7.447 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.030 -7.219 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.466 -6.523 1.610 1.00 0.00 H new ATOM 1125 N GLN A 76 5.119 -8.183 2.599 1.00 0.00 N ATOM 1126 CA GLN A 76 6.294 -7.796 3.370 1.00 0.00 C ATOM 1127 C GLN A 76 7.187 -6.856 2.567 1.00 0.00 C ATOM 1128 O GLN A 76 7.541 -5.772 3.031 1.00 0.00 O ATOM 1129 CB GLN A 76 7.085 -9.036 3.791 1.00 0.00 C ATOM 1130 CG GLN A 76 6.360 -9.906 4.804 1.00 0.00 C ATOM 1131 CD GLN A 76 7.127 -11.169 5.144 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.126 -12.134 4.379 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.787 -11.169 6.296 1.00 0.00 N ATOM 0 H GLN A 76 4.962 -9.189 2.545 1.00 0.00 H new ATOM 0 HA GLN A 76 5.955 -7.270 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.308 -9.632 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.040 -8.722 4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.191 -9.332 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.380 -10.176 4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.760 -10.347 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.321 -11.991 6.578 1.00 0.00 H new ATOM 1142 N LYS A 77 7.548 -7.278 1.361 1.00 0.00 N ATOM 1143 CA LYS A 77 8.399 -6.475 0.491 1.00 0.00 C ATOM 1144 C LYS A 77 7.946 -5.018 0.482 1.00 0.00 C ATOM 1145 O LYS A 77 8.726 -4.118 0.169 1.00 0.00 O ATOM 1146 CB LYS A 77 8.382 -7.035 -0.933 1.00 0.00 C ATOM 1147 CG LYS A 77 9.256 -8.263 -1.114 1.00 0.00 C ATOM 1148 CD LYS A 77 8.815 -9.090 -2.311 1.00 0.00 C ATOM 1149 CE LYS A 77 9.200 -8.422 -3.622 1.00 0.00 C ATOM 1150 NZ LYS A 77 10.643 -8.611 -3.937 1.00 0.00 N ATOM 0 H LYS A 77 7.264 -8.173 0.963 1.00 0.00 H new ATOM 0 HA LYS A 77 9.417 -6.519 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.356 -7.286 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.713 -6.259 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.294 -7.956 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.216 -8.875 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.269 -10.079 -2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.735 -9.233 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.595 -8.833 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.977 -7.357 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.862 -8.156 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.221 -8.182 -3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.855 -9.627 -3.999 1.00 0.00 H new ATOM 1164 N HIS A 78 6.683 -4.794 0.828 1.00 0.00 N ATOM 1165 CA HIS A 78 6.127 -3.446 0.861 1.00 0.00 C ATOM 1166 C HIS A 78 5.657 -3.086 2.268 1.00 0.00 C ATOM 1167 O HIS A 78 6.311 -2.322 2.975 1.00 0.00 O ATOM 1168 CB HIS A 78 4.965 -3.326 -0.124 1.00 0.00 C ATOM 1169 CG HIS A 78 5.397 -3.268 -1.557 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.619 -4.393 -2.322 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.647 -2.210 -2.364 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.989 -4.031 -3.537 1.00 0.00 C ATOM 1173 NE2 HIS A 78 6.013 -2.711 -3.589 1.00 0.00 N ATOM 0 H HIS A 78 6.025 -5.528 1.090 1.00 0.00 H new ATOM 0 HA HIS A 78 6.913 -2.749 0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.296 -4.176 0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.392 -2.429 0.111 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.514 -5.355 -2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.572 -1.167 -2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.231 -4.700 -4.350 1.00 0.00 H new ATOM 1181 N GLY A 79 4.517 -3.643 2.666 1.00 0.00 N ATOM 1182 CA GLY A 79 3.978 -3.369 3.985 1.00 0.00 C ATOM 1183 C GLY A 79 3.778 -1.887 4.233 1.00 0.00 C ATOM 1184 O GLY A 79 4.358 -1.052 3.541 1.00 0.00 O ATOM 0 H GLY A 79 3.957 -4.279 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.025 -3.885 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.652 -3.773 4.741 1.00 0.00 H new ATOM 1188 N ASN A 80 2.953 -1.560 5.222 1.00 0.00 N ATOM 1189 CA ASN A 80 2.676 -0.168 5.558 1.00 0.00 C ATOM 1190 C ASN A 80 3.969 0.590 5.844 1.00 0.00 C ATOM 1191 O ASN A 80 3.993 1.820 5.835 1.00 0.00 O ATOM 1192 CB ASN A 80 1.746 -0.090 6.771 1.00 0.00 C ATOM 1193 CG ASN A 80 0.469 -0.882 6.572 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.367 -1.697 5.655 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.513 -0.646 7.434 1.00 0.00 N ATOM 0 H ASN A 80 2.465 -2.240 5.805 1.00 0.00 H new ATOM 0 HA ASN A 80 2.186 0.296 4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.269 -0.464 7.651 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.497 0.953 6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.396 -1.149 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.384 0.039 8.179 1.00 0.00 H new ATOM 1202 N GLU A 81 5.041 -0.154 6.097 1.00 0.00 N ATOM 1203 CA GLU A 81 6.337 0.449 6.385 1.00 0.00 C ATOM 1204 C GLU A 81 6.677 1.526 5.359 1.00 0.00 C ATOM 1205 O GLU A 81 6.745 2.711 5.686 1.00 0.00 O ATOM 1206 CB GLU A 81 7.431 -0.621 6.398 1.00 0.00 C ATOM 1207 CG GLU A 81 8.835 -0.055 6.521 1.00 0.00 C ATOM 1208 CD GLU A 81 9.863 -1.113 6.872 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.960 -1.474 8.063 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.569 -1.581 5.955 1.00 0.00 O ATOM 0 H GLU A 81 5.038 -1.174 6.108 1.00 0.00 H new ATOM 0 HA GLU A 81 6.281 0.914 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.250 -1.304 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.364 -1.208 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.115 0.420 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.844 0.722 7.285 1.00 0.00 H new ATOM 1217 N VAL A 82 6.889 1.105 4.116 1.00 0.00 N ATOM 1218 CA VAL A 82 7.221 2.033 3.041 1.00 0.00 C ATOM 1219 C VAL A 82 5.969 2.485 2.299 1.00 0.00 C ATOM 1220 O VAL A 82 5.893 3.618 1.822 1.00 0.00 O ATOM 1221 CB VAL A 82 8.200 1.398 2.035 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.569 1.207 2.670 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.652 0.076 1.521 1.00 0.00 C ATOM 0 H VAL A 82 6.837 0.128 3.829 1.00 0.00 H new ATOM 0 HA VAL A 82 7.697 2.897 3.504 1.00 0.00 H new ATOM 0 HB VAL A 82 8.311 2.073 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.247 0.757 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.963 2.174 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.480 0.553 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.356 -0.359 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.510 -0.609 2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.696 0.246 1.025 1.00 0.00 H new ATOM 1233 N CYS A 83 4.989 1.593 2.206 1.00 0.00 N ATOM 1234 CA CYS A 83 3.738 1.901 1.521 1.00 0.00 C ATOM 1235 C CYS A 83 3.211 3.269 1.940 1.00 0.00 C ATOM 1236 O CYS A 83 3.187 4.208 1.144 1.00 0.00 O ATOM 1237 CB CYS A 83 2.693 0.825 1.818 1.00 0.00 C ATOM 1238 SG CYS A 83 2.696 -0.551 0.644 1.00 0.00 S ATOM 0 H CYS A 83 5.036 0.652 2.596 1.00 0.00 H new ATOM 0 HA CYS A 83 3.934 1.921 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.865 0.434 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.705 1.284 1.820 1.00 0.00 H new ATOM 0 HG CYS A 83 1.473 -0.845 0.317 1.00 0.00 H new ATOM 1244 N LYS A 84 2.787 3.375 3.195 1.00 0.00 N ATOM 1245 CA LYS A 84 2.258 4.627 3.722 1.00 0.00 C ATOM 1246 C LYS A 84 3.089 5.813 3.241 1.00 0.00 C ATOM 1247 O LYS A 84 2.610 6.646 2.472 1.00 0.00 O ATOM 1248 CB LYS A 84 2.237 4.593 5.252 1.00 0.00 C ATOM 1249 CG LYS A 84 1.392 5.691 5.873 1.00 0.00 C ATOM 1250 CD LYS A 84 0.790 5.249 7.197 1.00 0.00 C ATOM 1251 CE LYS A 84 1.843 4.648 8.115 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.369 4.568 9.524 1.00 0.00 N ATOM 0 H LYS A 84 2.800 2.607 3.867 1.00 0.00 H new ATOM 0 HA LYS A 84 1.239 4.745 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.858 3.625 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.258 4.678 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.005 6.579 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.594 5.971 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.322 6.102 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.004 4.516 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.105 3.650 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.750 5.250 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.115 4.153 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.143 5.523 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.518 3.972 9.571 1.00 0.00 H new ATOM 1266 N GLN A 85 4.335 5.881 3.698 1.00 0.00 N ATOM 1267 CA GLN A 85 5.232 6.964 3.313 1.00 0.00 C ATOM 1268 C GLN A 85 5.147 7.234 1.814 1.00 0.00 C ATOM 1269 O GLN A 85 4.982 8.378 1.389 1.00 0.00 O ATOM 1270 CB GLN A 85 6.672 6.625 3.701 1.00 0.00 C ATOM 1271 CG GLN A 85 7.010 6.967 5.143 1.00 0.00 C ATOM 1272 CD GLN A 85 8.490 6.832 5.444 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.304 7.633 4.984 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.846 5.814 6.219 1.00 0.00 N ATOM 0 H GLN A 85 4.746 5.199 4.335 1.00 0.00 H new ATOM 0 HA GLN A 85 4.923 7.864 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.842 5.561 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.353 7.161 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.692 7.988 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.447 6.313 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.137 5.174 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.828 5.672 6.455 1.00 0.00 H new ATOM 1283 N ILE A 86 5.261 6.176 1.020 1.00 0.00 N ATOM 1284 CA ILE A 86 5.196 6.300 -0.431 1.00 0.00 C ATOM 1285 C ILE A 86 3.939 7.046 -0.864 1.00 0.00 C ATOM 1286 O ILE A 86 3.929 7.721 -1.893 1.00 0.00 O ATOM 1287 CB ILE A 86 5.222 4.920 -1.116 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.632 4.329 -1.069 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.736 5.033 -2.553 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.665 2.828 -1.248 1.00 0.00 C ATOM 0 H ILE A 86 5.399 5.223 1.356 1.00 0.00 H new ATOM 0 HA ILE A 86 6.075 6.866 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 86 4.551 4.251 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.238 4.793 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.092 4.583 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.760 4.050 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.715 5.415 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.384 5.715 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.697 2.479 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.087 2.354 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.235 2.567 -2.215 1.00 0.00 H new ATOM 1302 N TRP A 87 2.881 6.921 -0.070 1.00 0.00 N ATOM 1303 CA TRP A 87 1.618 7.586 -0.370 1.00 0.00 C ATOM 1304 C TRP A 87 1.543 8.946 0.315 1.00 0.00 C ATOM 1305 O TRP A 87 0.754 9.807 -0.077 1.00 0.00 O ATOM 1306 CB TRP A 87 0.442 6.713 0.070 1.00 0.00 C ATOM 1307 CG TRP A 87 0.380 5.396 -0.642 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.688 4.170 -0.125 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.011 5.174 -2.001 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.511 3.199 -1.081 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.082 3.789 -2.240 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.433 6.010 -3.038 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.230 3.224 -3.474 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -0.742 5.448 -4.262 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.641 4.066 -4.472 1.00 0.00 C ATOM 0 H TRP A 87 2.873 6.366 0.786 1.00 0.00 H new ATOM 0 HA TRP A 87 1.563 7.740 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.513 6.535 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.488 7.255 -0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.022 3.990 0.886 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.673 2.201 -0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.516 7.076 -2.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.151 2.159 -3.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.067 6.085 -5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -0.892 3.658 -5.440 1.00 0.00 H new ATOM 1326 N LEU A 88 2.367 9.134 1.340 1.00 0.00 N ATOM 1327 CA LEU A 88 2.394 10.391 2.080 1.00 0.00 C ATOM 1328 C LEU A 88 3.585 11.245 1.660 1.00 0.00 C ATOM 1329 O LEU A 88 4.013 12.136 2.393 1.00 0.00 O ATOM 1330 CB LEU A 88 2.452 10.118 3.584 1.00 0.00 C ATOM 1331 CG LEU A 88 1.497 9.045 4.109 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.283 9.208 5.606 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.169 9.104 3.369 1.00 0.00 C ATOM 0 H LEU A 88 3.025 8.432 1.678 1.00 0.00 H new ATOM 0 HA LEU A 88 1.480 10.939 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.470 9.827 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.244 11.050 4.110 1.00 0.00 H new ATOM 0 HG LEU A 88 1.946 8.068 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.601 8.436 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.238 9.114 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.856 10.190 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.498 8.333 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.286 10.084 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.338 8.937 2.305 1.00 0.00 H new ATOM 1345 N GLY A 89 4.117 10.968 0.473 1.00 0.00 N ATOM 1346 CA GLY A 89 5.253 11.721 -0.026 1.00 0.00 C ATOM 1347 C GLY A 89 5.073 13.217 0.137 1.00 0.00 C ATOM 1348 O GLY A 89 5.971 13.910 0.617 1.00 0.00 O ATOM 0 H GLY A 89 3.781 10.235 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.153 11.407 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.404 11.489 -1.080 1.00 0.00 H new ATOM 1352 N LEU A 90 3.910 13.719 -0.265 1.00 0.00 N ATOM 1353 CA LEU A 90 3.616 15.144 -0.163 1.00 0.00 C ATOM 1354 C LEU A 90 2.850 15.451 1.120 1.00 0.00 C ATOM 1355 O LEU A 90 2.908 16.567 1.638 1.00 0.00 O ATOM 1356 CB LEU A 90 2.806 15.605 -1.376 1.00 0.00 C ATOM 1357 CG LEU A 90 3.612 15.946 -2.630 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.682 16.243 -3.797 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.535 17.127 -2.367 1.00 0.00 C ATOM 0 H LEU A 90 3.156 13.160 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 90 4.562 15.685 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.091 14.822 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.228 16.484 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 90 4.225 15.083 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.273 16.484 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.063 15.369 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.043 17.089 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.100 17.355 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.942 17.996 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.225 16.877 -1.561 1.00 0.00 H new ATOM 1371 N PHE A 91 2.135 14.454 1.630 1.00 0.00 N ATOM 1372 CA PHE A 91 1.359 14.617 2.854 1.00 0.00 C ATOM 1373 C PHE A 91 2.275 14.854 4.051 1.00 0.00 C ATOM 1374 O PHE A 91 3.010 13.959 4.470 1.00 0.00 O ATOM 1375 CB PHE A 91 0.489 13.382 3.099 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.474 13.545 4.240 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.019 13.583 5.548 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.835 13.661 4.004 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.904 13.732 6.600 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.724 13.811 5.052 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.257 13.847 6.351 1.00 0.00 C ATOM 0 H PHE A 91 2.077 13.524 1.215 1.00 0.00 H new ATOM 0 HA PHE A 91 0.715 15.488 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.070 13.155 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.134 12.526 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.039 13.495 5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.205 13.634 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.537 13.758 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.782 13.900 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.949 13.965 7.171 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.853 12.974 8.905 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.299 13.028 9.140 1.00 0.00 C ATOM 1492 C PRO A 99 -9.740 12.088 10.257 1.00 0.00 C ATOM 1493 O PRO A 99 -8.947 11.293 10.762 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.893 12.583 7.802 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.831 11.747 7.175 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.522 12.339 7.618 1.00 0.00 C ATOM 0 HA PRO A 99 -9.623 14.019 9.457 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.811 12.014 7.946 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.144 13.439 7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.916 10.707 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.916 11.758 6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.754 11.574 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.145 13.064 6.897 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.009 12.184 10.639 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.556 11.341 11.695 1.00 0.00 C ATOM 1506 C ASP A 100 -11.761 9.913 11.199 1.00 0.00 C ATOM 1507 O ASP A 100 -11.859 9.670 9.996 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.881 11.914 12.200 1.00 0.00 C ATOM 1509 CG ASP A 100 -12.700 13.222 12.945 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -11.902 14.063 12.481 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.357 13.404 13.991 1.00 0.00 O ATOM 0 H ASP A 100 -11.678 12.838 10.233 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.841 11.322 12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.551 12.070 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.360 11.188 12.857 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.825 8.970 12.134 1.00 0.00 N ATOM 1517 CA PHE A 101 -12.017 7.566 11.792 1.00 0.00 C ATOM 1518 C PHE A 101 -13.366 7.062 12.297 1.00 0.00 C ATOM 1519 O PHE A 101 -13.477 5.940 12.790 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.889 6.717 12.384 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.526 7.322 12.206 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -9.112 7.776 10.964 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.659 7.437 13.280 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.859 8.334 10.797 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.405 7.994 13.119 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.003 8.442 11.876 1.00 0.00 C ATOM 0 H PHE A 101 -11.747 9.153 13.134 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.999 7.477 10.706 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.076 6.570 13.448 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.904 5.732 11.918 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.776 7.693 10.117 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.967 7.087 14.254 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.549 8.685 9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.739 8.079 13.965 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.022 8.876 11.748 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.389 7.901 12.170 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.730 7.543 12.614 1.00 0.00 C ATOM 1538 C ARG A 102 -16.741 7.714 11.484 1.00 0.00 C ATOM 1539 O ARG A 102 -17.664 6.913 11.337 1.00 0.00 O ATOM 1540 CB ARG A 102 -16.140 8.401 13.812 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.193 8.286 14.996 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.476 9.353 16.041 1.00 0.00 C ATOM 1543 NE ARG A 102 -16.699 9.077 16.789 1.00 0.00 N ATOM 1544 CZ ARG A 102 -17.403 10.012 17.418 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -17.007 11.277 17.389 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -18.506 9.682 18.077 1.00 0.00 N ATOM 0 H ARG A 102 -14.314 8.833 11.763 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.718 6.495 12.913 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.193 9.444 13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -17.142 8.112 14.129 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.291 7.298 15.447 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.163 8.378 14.650 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.635 9.416 16.732 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.561 10.324 15.553 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.031 8.114 16.831 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.160 11.535 16.883 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.550 11.992 17.873 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.814 8.710 18.101 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.046 10.400 18.560 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.559 8.762 10.688 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.455 9.038 9.570 1.00 0.00 C ATOM 1562 C ASP A 103 -16.899 8.458 8.273 1.00 0.00 C ATOM 1563 O ASP A 103 -15.751 8.698 7.899 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.668 10.545 9.420 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.828 11.052 10.254 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.986 10.910 9.808 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.578 11.589 11.353 1.00 0.00 O ATOM 0 H ASP A 103 -15.800 9.434 10.796 1.00 0.00 H new ATOM 0 HA ASP A 103 -18.414 8.563 9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.758 11.068 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.848 10.781 8.371 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.731 7.675 7.571 1.00 0.00 N ATOM 1573 CA PRO A 104 -17.345 7.045 6.305 1.00 0.00 C ATOM 1574 C PRO A 104 -17.188 8.058 5.176 1.00 0.00 C ATOM 1575 O PRO A 104 -16.411 7.847 4.245 1.00 0.00 O ATOM 1576 CB PRO A 104 -18.509 6.095 6.012 1.00 0.00 C ATOM 1577 CG PRO A 104 -19.674 6.692 6.724 1.00 0.00 C ATOM 1578 CD PRO A 104 -19.114 7.347 7.957 1.00 0.00 C ATOM 0 HA PRO A 104 -16.378 6.548 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -18.697 6.018 4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -18.298 5.088 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -20.186 7.419 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -20.405 5.927 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.678 8.239 8.229 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -19.143 6.677 8.816 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.929 9.157 5.267 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.871 10.203 4.252 1.00 0.00 C ATOM 1588 C GLN A 105 -16.467 10.793 4.158 1.00 0.00 C ATOM 1589 O GLN A 105 -15.886 10.870 3.076 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.881 11.307 4.569 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.260 12.149 3.361 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.188 13.294 3.717 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.371 13.087 3.990 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -19.657 14.511 3.715 1.00 0.00 N ATOM 0 H GLN A 105 -18.576 9.347 6.032 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.122 9.756 3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.782 10.856 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.466 11.957 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.355 12.548 2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.741 11.514 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.672 14.637 3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.234 15.320 3.946 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.929 11.209 5.299 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.593 11.792 5.348 1.00 0.00 C ATOM 1605 C LYS A 106 -13.541 10.777 4.914 1.00 0.00 C ATOM 1606 O LYS A 106 -12.751 11.035 4.006 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.283 12.292 6.760 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.040 13.554 7.138 1.00 0.00 C ATOM 1609 CD LYS A 106 -16.454 13.241 7.598 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.957 14.272 8.596 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.444 15.506 7.920 1.00 0.00 N ATOM 0 H LYS A 106 -16.398 11.153 6.203 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.566 12.635 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.523 11.506 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.213 12.482 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.506 14.076 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.076 14.228 6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -17.120 13.213 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.479 12.251 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.763 13.840 9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.155 14.529 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.778 16.184 8.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.668 15.932 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.226 15.265 7.279 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.536 9.620 5.569 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.582 8.565 5.250 1.00 0.00 C ATOM 1627 C VAL A 107 -12.649 8.191 3.773 1.00 0.00 C ATOM 1628 O VAL A 107 -11.630 7.901 3.147 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.834 7.304 6.098 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.879 6.190 5.697 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.701 7.625 7.580 1.00 0.00 C ATOM 0 H VAL A 107 -14.182 9.390 6.324 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.591 8.956 5.479 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.852 6.960 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -12.072 5.308 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.028 5.944 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.851 6.519 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.882 6.723 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.696 7.994 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.430 8.388 7.854 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.858 8.202 3.221 1.00 0.00 N ATOM 1642 CA LYS A 108 -14.060 7.866 1.816 1.00 0.00 C ATOM 1643 C LYS A 108 -13.420 8.912 0.909 1.00 0.00 C ATOM 1644 O LYS A 108 -12.628 8.581 0.028 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.555 7.755 1.508 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.857 7.514 0.039 1.00 0.00 C ATOM 1647 CD LYS A 108 -17.310 7.126 -0.176 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.493 6.342 -1.466 1.00 0.00 C ATOM 1649 NZ LYS A 108 -18.882 5.823 -1.608 1.00 0.00 N ATOM 0 H LYS A 108 -14.712 8.440 3.725 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.583 6.905 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.979 6.941 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -16.052 8.671 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.632 8.415 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.209 6.725 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.656 6.528 0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.927 8.024 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.256 6.981 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.790 5.509 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.966 5.295 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.100 5.193 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.551 6.619 -1.613 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.768 10.176 1.133 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.226 11.269 0.335 1.00 0.00 C ATOM 1665 C GLU A 109 -11.705 11.326 0.452 1.00 0.00 C ATOM 1666 O GLU A 109 -10.998 11.439 -0.549 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.833 12.602 0.777 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.318 12.723 0.480 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.610 12.825 -1.005 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.570 11.782 -1.690 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -15.878 13.948 -1.480 1.00 0.00 O ATOM 0 H GLU A 109 -14.422 10.467 1.860 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.486 11.088 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.674 12.727 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.304 13.415 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.838 11.857 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.715 13.603 0.986 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.209 11.249 1.683 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.773 11.293 1.932 1.00 0.00 C ATOM 1680 C PHE A 110 -9.068 10.120 1.259 1.00 0.00 C ATOM 1681 O PHE A 110 -8.023 10.288 0.628 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.495 11.275 3.437 1.00 0.00 C ATOM 1683 CG PHE A 110 -8.034 11.187 3.775 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.311 10.041 3.489 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.385 12.251 4.381 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.966 9.958 3.798 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -6.041 12.174 4.693 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.331 11.025 4.402 1.00 0.00 C ATOM 0 H PHE A 110 -11.780 11.156 2.523 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.384 12.219 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.910 12.177 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -10.015 10.428 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.803 9.202 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.936 13.151 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.413 9.060 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.546 13.011 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.281 10.962 4.647 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.645 8.931 1.399 1.00 0.00 N ATOM 1699 CA LEU A 111 -9.072 7.728 0.805 1.00 0.00 C ATOM 1700 C LEU A 111 -8.949 7.874 -0.709 1.00 0.00 C ATOM 1701 O LEU A 111 -7.919 7.536 -1.292 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.932 6.509 1.143 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.571 5.770 2.432 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.558 4.644 2.696 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -8.150 5.229 2.357 1.00 0.00 C ATOM 0 H LEU A 111 -10.509 8.774 1.918 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.074 7.587 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.971 6.830 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.870 5.804 0.314 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.627 6.476 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.285 4.129 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.562 5.056 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.535 3.938 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.910 4.706 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.068 4.538 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.453 6.055 2.216 1.00 0.00 H new ATOM 1717 N GLN A 112 -10.005 8.380 -1.337 1.00 0.00 N ATOM 1718 CA GLN A 112 -10.014 8.571 -2.783 1.00 0.00 C ATOM 1719 C GLN A 112 -8.895 9.512 -3.214 1.00 0.00 C ATOM 1720 O GLN A 112 -8.100 9.184 -4.094 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.366 9.125 -3.237 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.471 8.081 -3.269 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.718 8.574 -3.976 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.664 9.508 -4.776 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.851 7.946 -3.685 1.00 0.00 N ATOM 0 H GLN A 112 -10.865 8.665 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.850 7.602 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.661 9.934 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.257 9.557 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.105 7.185 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.725 7.795 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.850 7.176 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.722 8.233 -4.131 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.839 10.684 -2.588 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.817 11.673 -2.909 1.00 0.00 C ATOM 1736 C GLU A 113 -6.419 11.092 -2.721 1.00 0.00 C ATOM 1737 O GLU A 113 -5.427 11.674 -3.160 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.986 12.917 -2.034 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.308 13.635 -2.246 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.466 14.161 -3.660 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.488 14.719 -4.198 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.569 14.013 -4.227 1.00 0.00 O ATOM 0 H GLU A 113 -9.489 10.971 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.937 11.955 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.903 12.628 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.169 13.609 -2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.128 12.952 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.383 14.465 -1.543 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.348 9.939 -2.065 1.00 0.00 N ATOM 1750 CA LYS A 114 -5.073 9.276 -1.817 1.00 0.00 C ATOM 1751 C LYS A 114 -4.758 8.272 -2.922 1.00 0.00 C ATOM 1752 O LYS A 114 -3.603 8.109 -3.316 1.00 0.00 O ATOM 1753 CB LYS A 114 -5.097 8.568 -0.461 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.716 8.224 0.070 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.793 7.568 1.439 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.419 7.456 2.081 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.510 7.244 3.552 1.00 0.00 N ATOM 0 H LYS A 114 -7.159 9.444 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.292 10.037 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.607 9.204 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.682 7.652 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.213 7.554 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.113 9.130 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.452 8.148 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.233 6.575 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.873 6.629 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.849 8.363 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.874 6.470 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.232 8.116 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.488 6.998 3.807 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.793 7.602 -3.417 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.626 6.613 -4.476 1.00 0.00 C ATOM 1773 C TYR A 115 -6.397 7.020 -5.728 1.00 0.00 C ATOM 1774 O TYR A 115 -5.828 7.116 -6.815 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.099 5.239 -3.997 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.637 4.892 -2.600 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.320 5.102 -2.210 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.517 4.355 -1.669 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.893 4.786 -0.935 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.100 4.037 -0.391 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.787 4.254 -0.029 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.366 3.939 1.243 1.00 0.00 O ATOM 0 H TYR A 115 -6.755 7.725 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.566 6.560 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.188 5.208 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.738 4.478 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.618 5.520 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.546 4.183 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.865 4.954 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.798 3.621 0.320 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.500 4.364 1.416 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.694 7.259 -5.565 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.543 7.657 -6.682 1.00 0.00 C ATOM 1794 C GLU A 116 -7.951 8.857 -7.415 1.00 0.00 C ATOM 1795 O GLU A 116 -8.034 8.954 -8.640 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.952 7.991 -6.188 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.878 6.788 -6.131 1.00 0.00 C ATOM 1798 CD GLU A 116 -12.330 7.158 -6.363 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.582 8.193 -7.016 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -13.215 6.413 -5.893 1.00 0.00 O ATOM 0 H GLU A 116 -8.180 7.184 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.599 6.820 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.884 8.434 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.389 8.744 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.568 6.060 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.781 6.305 -5.159 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.355 9.770 -6.657 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.748 10.965 -7.232 1.00 0.00 C ATOM 1809 C LYS A 117 -5.228 10.918 -7.105 1.00 0.00 C ATOM 1810 O LYS A 117 -4.511 11.567 -7.867 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.289 12.219 -6.542 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.797 12.210 -6.360 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.520 12.425 -7.680 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.984 12.773 -7.463 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.157 14.173 -6.986 1.00 0.00 N ATOM 0 H LYS A 117 -7.279 9.706 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.006 11.000 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.814 12.320 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.007 13.095 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.106 11.259 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.084 12.991 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.033 13.226 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.445 11.523 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.532 12.637 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.417 12.086 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.132 14.484 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.965 14.218 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.494 14.796 -7.490 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.743 10.146 -6.139 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.309 10.012 -5.913 1.00 0.00 C ATOM 1831 C LYS A 118 -2.659 11.378 -5.715 1.00 0.00 C ATOM 1832 O LYS A 118 -1.673 11.708 -6.373 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.652 9.289 -7.091 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.669 7.776 -6.962 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.299 7.100 -8.272 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.013 5.620 -8.074 1.00 0.00 C ATOM 1837 NZ LYS A 118 -0.575 5.367 -7.778 1.00 0.00 N ATOM 0 H LYS A 118 -5.323 9.603 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.163 9.425 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.163 9.573 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.619 9.626 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.971 7.469 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.660 7.448 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.112 7.222 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.422 7.587 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.625 5.238 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -2.301 5.071 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -0.245 4.552 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -0.016 6.207 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -0.459 5.166 -6.764 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.218 12.167 -4.803 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.692 13.496 -4.518 1.00 0.00 C ATOM 1853 C ARG A 119 -1.235 13.420 -4.070 1.00 0.00 C ATOM 1854 O ARG A 119 -0.330 13.831 -4.796 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.534 14.181 -3.439 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.378 15.692 -3.413 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.562 16.362 -2.734 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.567 17.808 -2.944 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.420 18.634 -2.347 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.331 18.160 -1.508 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -5.361 19.937 -2.589 1.00 0.00 N ATOM 0 H ARG A 119 -4.035 11.909 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.742 14.083 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.584 13.935 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.257 13.779 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.459 15.955 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.282 16.067 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.489 15.937 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.534 16.151 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.879 18.205 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.379 17.159 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.984 18.797 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.661 20.305 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.016 20.571 -2.131 1.00 0.00 H new ATOM 1875 N TRP A 120 -1.018 12.893 -2.870 1.00 0.00 N ATOM 1876 CA TRP A 120 0.329 12.764 -2.325 1.00 0.00 C ATOM 1877 C TRP A 120 0.987 11.473 -2.799 1.00 0.00 C ATOM 1878 O TRP A 120 1.693 10.810 -2.040 1.00 0.00 O ATOM 1879 CB TRP A 120 0.287 12.798 -0.796 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.665 13.818 -0.250 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.384 15.118 0.060 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.051 13.622 0.051 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.512 15.742 0.537 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.548 14.846 0.540 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.920 12.532 -0.046 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.875 15.007 0.931 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.237 12.694 0.343 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.704 13.924 0.825 1.00 0.00 C ATOM 0 H TRP A 120 -1.756 12.548 -2.256 1.00 0.00 H new ATOM 0 HA TRP A 120 0.922 13.605 -2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.004 11.813 -0.426 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.288 13.006 -0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.582 15.587 -0.053 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.568 16.714 0.840 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.569 11.581 -0.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.237 15.953 1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.917 11.858 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.739 14.019 1.119 1.00 0.00 H new ATOM 1899 N TYR A 121 0.751 11.123 -4.059 1.00 0.00 N ATOM 1900 CA TYR A 121 1.320 9.910 -4.634 1.00 0.00 C ATOM 1901 C TYR A 121 2.758 10.143 -5.086 1.00 0.00 C ATOM 1902 O TYR A 121 3.008 10.860 -6.055 1.00 0.00 O ATOM 1903 CB TYR A 121 0.473 9.434 -5.815 1.00 0.00 C ATOM 1904 CG TYR A 121 1.116 8.323 -6.613 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.567 7.165 -5.991 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.273 8.430 -7.990 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.156 6.147 -6.716 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.860 7.417 -8.723 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.300 6.278 -8.082 1.00 0.00 C ATOM 1910 OH TYR A 121 2.885 5.266 -8.808 1.00 0.00 O ATOM 0 H TYR A 121 0.170 11.662 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 121 1.322 9.140 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.493 9.091 -5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.279 10.279 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.455 7.059 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.930 9.321 -8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.502 5.254 -6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.974 7.516 -9.792 1.00 0.00 H new ATOM 0 HH TYR A 121 2.909 5.515 -9.756 1.00 0.00 H new ATOM 1920 N VAL A 122 3.702 9.532 -4.376 1.00 0.00 N ATOM 1921 CA VAL A 122 5.115 9.670 -4.704 1.00 0.00 C ATOM 1922 C VAL A 122 5.830 8.326 -4.633 1.00 0.00 C ATOM 1923 O VAL A 122 6.111 7.799 -3.556 1.00 0.00 O ATOM 1924 CB VAL A 122 5.816 10.662 -3.757 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.313 10.691 -4.025 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.214 12.052 -3.900 1.00 0.00 C ATOM 0 H VAL A 122 3.513 8.937 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 122 5.167 10.052 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 122 5.661 10.328 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.791 11.398 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.730 9.697 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.492 11.000 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.722 12.740 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.335 12.397 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.153 12.016 -3.652 1.00 0.00 H new ATOM 1936 N PRO A 123 6.133 7.754 -5.808 1.00 0.00 N ATOM 1937 CA PRO A 123 6.821 6.463 -5.907 1.00 0.00 C ATOM 1938 C PRO A 123 8.277 6.546 -5.460 1.00 0.00 C ATOM 1939 O PRO A 123 8.926 7.586 -5.570 1.00 0.00 O ATOM 1940 CB PRO A 123 6.737 6.130 -7.398 1.00 0.00 C ATOM 1941 CG PRO A 123 6.608 7.451 -8.075 1.00 0.00 C ATOM 1942 CD PRO A 123 5.829 8.325 -7.131 1.00 0.00 C ATOM 0 HA PRO A 123 6.369 5.710 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.626 5.598 -7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.881 5.490 -7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.588 7.879 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.092 7.351 -9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.140 9.368 -7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.761 8.296 -7.345 1.00 0.00 H new ATOM 1950 N PRO A 124 8.803 5.425 -4.945 1.00 0.00 N ATOM 1951 CA PRO A 124 10.188 5.346 -4.472 1.00 0.00 C ATOM 1952 C PRO A 124 11.195 5.410 -5.615 1.00 0.00 C ATOM 1953 O PRO A 124 12.150 6.185 -5.570 1.00 0.00 O ATOM 1954 CB PRO A 124 10.250 3.981 -3.781 1.00 0.00 C ATOM 1955 CG PRO A 124 9.179 3.177 -4.435 1.00 0.00 C ATOM 1956 CD PRO A 124 8.086 4.149 -4.784 1.00 0.00 C ATOM 0 HA PRO A 124 10.444 6.181 -3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.228 3.517 -3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.078 4.072 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.556 2.677 -5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.811 2.400 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.569 3.860 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.334 4.207 -3.997 1.00 0.00 H new ATOM 1964 N GLU A 125 10.975 4.591 -6.639 1.00 0.00 N ATOM 1965 CA GLU A 125 11.864 4.555 -7.794 1.00 0.00 C ATOM 1966 C GLU A 125 12.418 5.945 -8.097 1.00 0.00 C ATOM 1967 O GLU A 125 13.549 6.085 -8.561 1.00 0.00 O ATOM 1968 CB GLU A 125 11.126 4.010 -9.018 1.00 0.00 C ATOM 1969 CG GLU A 125 10.692 2.562 -8.872 1.00 0.00 C ATOM 1970 CD GLU A 125 11.854 1.630 -8.589 1.00 0.00 C ATOM 1971 OE1 GLU A 125 12.892 1.753 -9.272 1.00 0.00 O ATOM 1972 OE2 GLU A 125 11.726 0.778 -7.685 1.00 0.00 O ATOM 0 H GLU A 125 10.189 3.944 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 125 12.698 3.893 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.247 4.627 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.772 4.101 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.964 2.485 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.190 2.243 -9.785 1.00 0.00 H new ATOM 1979 N GLN A 126 11.612 6.968 -7.830 1.00 0.00 N ATOM 1980 CA GLN A 126 12.021 8.346 -8.076 1.00 0.00 C ATOM 1981 C GLN A 126 12.460 9.022 -6.781 1.00 0.00 C ATOM 1982 O GLN A 126 13.470 9.725 -6.749 1.00 0.00 O ATOM 1983 CB GLN A 126 10.875 9.134 -8.713 1.00 0.00 C ATOM 1984 CG GLN A 126 11.320 10.428 -9.374 1.00 0.00 C ATOM 1985 CD GLN A 126 10.402 10.854 -10.502 1.00 0.00 C ATOM 1986 OE1 GLN A 126 9.808 10.018 -11.184 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.280 12.160 -10.706 1.00 0.00 N ATOM 0 H GLN A 126 10.673 6.869 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 126 12.868 8.331 -8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.383 8.507 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.133 9.363 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.360 11.219 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.331 10.304 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.791 12.818 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 126 9.676 12.505 -11.452 1.00 0.00 H new