USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 THR OG1 : rot 150:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-3.2!) USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 72 MET CE :methyl 173:sc=-0.00414 (180deg=-0.0756) USER MOD Set 4.1: A 35 ASN : amide:sc= -1.79! C(o=-1.9!,f=-7.4!) USER MOD Set 4.2: A 38 ASN : amide:sc= -0.0861 X(o=-1.9,f=-1.9) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot 5:sc= 0.0694 USER MOD Single : A 26 THR OG1 : rot 158:sc= 0.844 USER MOD Single : A 30 SER OG : rot 56:sc= 0.351 USER MOD Single : A 41 SER OG : rot 7:sc= 0.601 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.89) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.63 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -177:sc= 0.459 USER MOD Single : A 76 ASN : amide:sc= -0.733 K(o=-0.73,f=-2.5!) USER MOD Single : A 77 TYR OH : rot -17:sc= 1.15 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 130:sc= -2.86! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 88 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-1) USER MOD Single : A 92 SER OG : rot -12:sc= 0.46 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.199 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.024 -16.639 0.798 1.00 0.00 N ATOM 84 CA ASP A 10 6.234 -16.964 1.980 1.00 0.00 C ATOM 85 C ASP A 10 5.521 -15.726 2.514 1.00 0.00 C ATOM 86 O ASP A 10 6.126 -14.848 3.130 1.00 0.00 O ATOM 87 CB ASP A 10 7.128 -17.563 3.067 1.00 0.00 C ATOM 88 CG ASP A 10 7.570 -18.975 2.741 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.702 -19.804 2.395 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.784 -19.252 2.829 1.00 0.00 O ATOM 0 HA ASP A 10 5.481 -17.699 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.007 -16.932 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.591 -17.564 4.015 1.00 0.00 H new ATOM 95 N PRO A 11 4.203 -15.652 2.274 1.00 0.00 N ATOM 96 CA PRO A 11 3.379 -14.526 2.723 1.00 0.00 C ATOM 97 C PRO A 11 3.204 -14.503 4.237 1.00 0.00 C ATOM 98 O PRO A 11 3.217 -13.441 4.857 1.00 0.00 O ATOM 99 CB PRO A 11 2.035 -14.773 2.032 1.00 0.00 C ATOM 100 CG PRO A 11 1.995 -16.244 1.798 1.00 0.00 C ATOM 101 CD PRO A 11 3.417 -16.662 1.547 1.00 0.00 C ATOM 0 HA PRO A 11 3.831 -13.566 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.203 -14.449 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.964 -14.221 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.582 -16.765 2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.361 -16.486 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.612 -17.668 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.653 -16.665 0.483 1.00 0.00 H new ATOM 109 N GLY A 12 3.039 -15.683 4.828 1.00 0.00 N ATOM 110 CA GLY A 12 2.863 -15.775 6.265 1.00 0.00 C ATOM 111 C GLY A 12 3.976 -15.087 7.030 1.00 0.00 C ATOM 112 O GLY A 12 3.758 -14.571 8.127 1.00 0.00 O ATOM 0 H GLY A 12 3.024 -16.577 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.907 -15.329 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.821 -16.824 6.556 1.00 0.00 H new ATOM 116 N LEU A 13 5.173 -15.080 6.453 1.00 0.00 N ATOM 117 CA LEU A 13 6.325 -14.451 7.088 1.00 0.00 C ATOM 118 C LEU A 13 6.481 -13.006 6.625 1.00 0.00 C ATOM 119 O LEU A 13 7.567 -12.431 6.706 1.00 0.00 O ATOM 120 CB LEU A 13 7.598 -15.239 6.775 1.00 0.00 C ATOM 121 CG LEU A 13 7.531 -16.747 7.019 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.885 -17.391 6.761 1.00 0.00 C ATOM 123 CD2 LEU A 13 7.061 -17.038 8.436 1.00 0.00 C ATOM 0 H LEU A 13 5.371 -15.503 5.546 1.00 0.00 H new ATOM 0 HA LEU A 13 6.160 -14.452 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.857 -15.072 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.411 -14.830 7.375 1.00 0.00 H new ATOM 0 HG LEU A 13 6.810 -17.176 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.818 -18.464 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.181 -17.213 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.628 -16.958 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.019 -18.116 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.757 -16.595 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.069 -16.611 8.585 1.00 0.00 H new ATOM 135 N VAL A 14 5.389 -12.424 6.142 1.00 0.00 N ATOM 136 CA VAL A 14 5.403 -11.044 5.669 1.00 0.00 C ATOM 137 C VAL A 14 4.334 -10.212 6.368 1.00 0.00 C ATOM 138 O VAL A 14 3.199 -10.658 6.539 1.00 0.00 O ATOM 139 CB VAL A 14 5.181 -10.971 4.146 1.00 0.00 C ATOM 140 CG1 VAL A 14 5.053 -9.524 3.695 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.312 -11.670 3.409 1.00 0.00 C ATOM 0 H VAL A 14 4.483 -12.886 6.068 1.00 0.00 H new ATOM 0 HA VAL A 14 6.387 -10.638 5.906 1.00 0.00 H new ATOM 0 HB VAL A 14 4.250 -11.485 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.897 -9.491 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.205 -9.060 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.965 -8.983 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.139 -11.609 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.258 -11.187 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.351 -12.717 3.711 1.00 0.00 H new ATOM 151 N SER A 15 4.704 -9.001 6.771 1.00 0.00 N ATOM 152 CA SER A 15 3.778 -8.107 7.455 1.00 0.00 C ATOM 153 C SER A 15 3.935 -6.674 6.954 1.00 0.00 C ATOM 154 O SER A 15 4.979 -6.303 6.419 1.00 0.00 O ATOM 155 CB SER A 15 4.009 -8.158 8.967 1.00 0.00 C ATOM 156 OG SER A 15 3.968 -9.492 9.444 1.00 0.00 O ATOM 0 H SER A 15 5.639 -8.616 6.636 1.00 0.00 H new ATOM 0 HA SER A 15 2.763 -8.441 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.975 -7.712 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.249 -7.563 9.474 1.00 0.00 H new ATOM 0 HG SER A 15 4.120 -9.498 10.412 1.00 0.00 H new ATOM 162 N ALA A 16 2.888 -5.874 7.131 1.00 0.00 N ATOM 163 CA ALA A 16 2.909 -4.482 6.699 1.00 0.00 C ATOM 164 C ALA A 16 2.369 -3.561 7.787 1.00 0.00 C ATOM 165 O ALA A 16 1.355 -3.859 8.419 1.00 0.00 O ATOM 166 CB ALA A 16 2.107 -4.316 5.417 1.00 0.00 C ATOM 0 H ALA A 16 2.015 -6.166 7.570 1.00 0.00 H new ATOM 0 HA ALA A 16 3.945 -4.203 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.131 -3.272 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.540 -4.938 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.075 -4.619 5.592 1.00 0.00 H new ATOM 172 N TYR A 17 3.051 -2.442 8.002 1.00 0.00 N ATOM 173 CA TYR A 17 2.641 -1.479 9.016 1.00 0.00 C ATOM 174 C TYR A 17 2.880 -0.050 8.539 1.00 0.00 C ATOM 175 O TYR A 17 3.836 0.224 7.814 1.00 0.00 O ATOM 176 CB TYR A 17 3.401 -1.726 10.321 1.00 0.00 C ATOM 177 CG TYR A 17 4.904 -1.722 10.157 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.617 -0.529 10.142 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.610 -2.910 10.015 1.00 0.00 C ATOM 180 CE1 TYR A 17 6.990 -0.521 9.991 1.00 0.00 C ATOM 181 CE2 TYR A 17 6.984 -2.910 9.866 1.00 0.00 C ATOM 182 CZ TYR A 17 7.669 -1.713 9.854 1.00 0.00 C ATOM 183 OH TYR A 17 9.037 -1.710 9.704 1.00 0.00 O ATOM 0 H TYR A 17 3.891 -2.179 7.487 1.00 0.00 H new ATOM 0 HA TYR A 17 1.574 -1.610 9.194 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.121 -0.961 11.045 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.092 -2.685 10.736 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.089 0.407 10.250 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.076 -3.849 10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.529 0.415 9.980 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.518 -3.842 9.760 1.00 0.00 H new ATOM 0 HH TYR A 17 9.373 -2.630 9.745 1.00 0.00 H new ATOM 193 N GLY A 18 2.002 0.860 8.952 1.00 0.00 N ATOM 194 CA GLY A 18 2.133 2.250 8.558 1.00 0.00 C ATOM 195 C GLY A 18 0.803 2.977 8.544 1.00 0.00 C ATOM 196 O GLY A 18 -0.264 2.363 8.550 1.00 0.00 O ATOM 0 H GLY A 18 1.202 0.659 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.813 2.756 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.583 2.302 7.566 1.00 0.00 H new ATOM 200 N PRO A 19 0.857 4.317 8.526 1.00 0.00 N ATOM 201 CA PRO A 19 -0.344 5.157 8.512 1.00 0.00 C ATOM 202 C PRO A 19 -1.096 5.072 7.188 1.00 0.00 C ATOM 203 O PRO A 19 -2.233 5.528 7.078 1.00 0.00 O ATOM 204 CB PRO A 19 0.208 6.569 8.724 1.00 0.00 C ATOM 205 CG PRO A 19 1.609 6.507 8.221 1.00 0.00 C ATOM 206 CD PRO A 19 2.094 5.115 8.518 1.00 0.00 C ATOM 0 HA PRO A 19 -1.066 4.849 9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.377 7.309 8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.177 6.852 9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.649 6.715 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.234 7.252 8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.794 4.763 7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.610 5.065 9.477 1.00 0.00 H new ATOM 214 N GLY A 20 -0.452 4.485 6.184 1.00 0.00 N ATOM 215 CA GLY A 20 -1.076 4.350 4.880 1.00 0.00 C ATOM 216 C GLY A 20 -2.107 3.240 4.843 1.00 0.00 C ATOM 217 O GLY A 20 -3.092 3.322 4.108 1.00 0.00 O ATOM 0 H GLY A 20 0.490 4.101 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.552 5.293 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.308 4.154 4.132 1.00 0.00 H new ATOM 221 N LEU A 21 -1.880 2.197 5.634 1.00 0.00 N ATOM 222 CA LEU A 21 -2.797 1.064 5.687 1.00 0.00 C ATOM 223 C LEU A 21 -4.004 1.380 6.565 1.00 0.00 C ATOM 224 O LEU A 21 -5.143 1.101 6.193 1.00 0.00 O ATOM 225 CB LEU A 21 -2.076 -0.176 6.220 1.00 0.00 C ATOM 226 CG LEU A 21 -0.694 -0.455 5.626 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.168 -1.219 6.618 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.821 -1.228 4.321 1.00 0.00 C ATOM 0 H LEU A 21 -1.069 2.113 6.247 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.149 0.866 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.972 -0.075 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.709 -1.045 6.041 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.211 0.499 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.147 -1.409 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.286 -0.629 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.311 -2.168 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.172 -1.418 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.324 -2.177 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.402 -0.644 3.607 1.00 0.00 H new ATOM 240 N GLU A 22 -3.745 1.965 7.730 1.00 0.00 N ATOM 241 CA GLU A 22 -4.811 2.321 8.660 1.00 0.00 C ATOM 242 C GLU A 22 -5.516 3.599 8.215 1.00 0.00 C ATOM 243 O GLU A 22 -6.677 3.828 8.550 1.00 0.00 O ATOM 244 CB GLU A 22 -4.248 2.500 10.071 1.00 0.00 C ATOM 245 CG GLU A 22 -4.045 1.191 10.816 1.00 0.00 C ATOM 246 CD GLU A 22 -5.337 0.419 11.003 1.00 0.00 C ATOM 247 OE1 GLU A 22 -6.265 0.960 11.639 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.419 -0.726 10.512 1.00 0.00 O ATOM 0 H GLU A 22 -2.807 2.202 8.053 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.538 1.509 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.295 3.025 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.924 3.134 10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.333 0.573 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.605 1.397 11.792 1.00 0.00 H new ATOM 255 N GLY A 23 -4.804 4.429 7.459 1.00 0.00 N ATOM 256 CA GLY A 23 -5.377 5.673 6.981 1.00 0.00 C ATOM 257 C GLY A 23 -4.690 6.891 7.567 1.00 0.00 C ATOM 258 O GLY A 23 -3.845 6.768 8.453 1.00 0.00 O ATOM 0 H GLY A 23 -3.840 4.262 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.306 5.708 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.437 5.701 7.233 1.00 0.00 H new ATOM 262 N GLY A 24 -5.052 8.070 7.071 1.00 0.00 N ATOM 263 CA GLY A 24 -4.453 9.297 7.562 1.00 0.00 C ATOM 264 C GLY A 24 -5.329 10.509 7.314 1.00 0.00 C ATOM 265 O GLY A 24 -6.361 10.682 7.963 1.00 0.00 O ATOM 0 H GLY A 24 -5.750 8.197 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.263 9.202 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.487 9.445 7.078 1.00 0.00 H new ATOM 269 N THR A 25 -4.917 11.353 6.373 1.00 0.00 N ATOM 270 CA THR A 25 -5.669 12.557 6.043 1.00 0.00 C ATOM 271 C THR A 25 -5.597 12.858 4.550 1.00 0.00 C ATOM 272 O THR A 25 -4.675 12.420 3.861 1.00 0.00 O ATOM 273 CB THR A 25 -5.150 13.776 6.827 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.555 13.686 8.198 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.673 15.071 6.223 1.00 0.00 C ATOM 0 H THR A 25 -4.066 11.224 5.826 1.00 0.00 H new ATOM 0 HA THR A 25 -6.705 12.369 6.323 1.00 0.00 H new ATOM 0 HB THR A 25 -4.062 13.780 6.769 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.003 12.828 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.293 15.918 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.339 15.151 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.763 15.073 6.253 1.00 0.00 H new ATOM 283 N THR A 26 -6.575 13.610 4.055 1.00 0.00 N ATOM 284 CA THR A 26 -6.623 13.970 2.644 1.00 0.00 C ATOM 285 C THR A 26 -5.518 14.959 2.291 1.00 0.00 C ATOM 286 O THR A 26 -5.140 15.799 3.107 1.00 0.00 O ATOM 287 CB THR A 26 -7.984 14.583 2.266 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.340 15.604 3.205 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.068 13.516 2.235 1.00 0.00 C ATOM 0 H THR A 26 -7.345 13.982 4.611 1.00 0.00 H new ATOM 0 HA THR A 26 -6.478 13.050 2.078 1.00 0.00 H new ATOM 0 HB THR A 26 -7.897 15.020 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.987 16.215 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.020 13.973 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.809 12.756 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.152 13.054 3.219 1.00 0.00 H new ATOM 297 N GLY A 27 -5.003 14.855 1.070 1.00 0.00 N ATOM 298 CA GLY A 27 -3.947 15.747 0.630 1.00 0.00 C ATOM 299 C GLY A 27 -2.674 15.578 1.435 1.00 0.00 C ATOM 300 O GLY A 27 -1.851 16.492 1.510 1.00 0.00 O ATOM 0 H GLY A 27 -5.299 14.168 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.735 15.562 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.290 16.779 0.710 1.00 0.00 H new ATOM 304 N VAL A 28 -2.510 14.407 2.042 1.00 0.00 N ATOM 305 CA VAL A 28 -1.328 14.122 2.847 1.00 0.00 C ATOM 306 C VAL A 28 -0.662 12.824 2.403 1.00 0.00 C ATOM 307 O VAL A 28 -1.278 11.759 2.425 1.00 0.00 O ATOM 308 CB VAL A 28 -1.678 14.021 4.343 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.443 13.670 5.159 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.299 15.320 4.833 1.00 0.00 C ATOM 0 H VAL A 28 -3.181 13.640 1.992 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.637 14.952 2.699 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.409 13.223 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.711 13.603 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.046 12.712 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.313 14.443 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.540 15.231 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.593 16.138 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.210 15.523 4.269 1.00 0.00 H new ATOM 320 N SER A 29 0.602 12.921 2.002 1.00 0.00 N ATOM 321 CA SER A 29 1.352 11.755 1.550 1.00 0.00 C ATOM 322 C SER A 29 1.311 10.644 2.595 1.00 0.00 C ATOM 323 O SER A 29 1.806 10.808 3.711 1.00 0.00 O ATOM 324 CB SER A 29 2.803 12.139 1.253 1.00 0.00 C ATOM 325 OG SER A 29 2.873 13.114 0.228 1.00 0.00 O ATOM 0 H SER A 29 1.128 13.795 1.981 1.00 0.00 H new ATOM 0 HA SER A 29 0.887 11.387 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.273 12.524 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.363 11.253 0.955 1.00 0.00 H new ATOM 0 HG SER A 29 3.811 13.344 0.058 1.00 0.00 H new ATOM 331 N SER A 30 0.718 9.513 2.226 1.00 0.00 N ATOM 332 CA SER A 30 0.609 8.376 3.132 1.00 0.00 C ATOM 333 C SER A 30 1.348 7.164 2.573 1.00 0.00 C ATOM 334 O SER A 30 1.124 6.758 1.434 1.00 0.00 O ATOM 335 CB SER A 30 -0.861 8.026 3.369 1.00 0.00 C ATOM 336 OG SER A 30 -1.595 9.163 3.790 1.00 0.00 O ATOM 0 H SER A 30 0.306 9.360 1.306 1.00 0.00 H new ATOM 0 HA SER A 30 1.067 8.653 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.296 7.628 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.934 7.242 4.123 1.00 0.00 H new ATOM 0 HG SER A 30 -1.486 9.884 3.135 1.00 0.00 H new ATOM 342 N GLU A 31 2.231 6.591 3.386 1.00 0.00 N ATOM 343 CA GLU A 31 3.005 5.426 2.973 1.00 0.00 C ATOM 344 C GLU A 31 2.989 4.351 4.056 1.00 0.00 C ATOM 345 O GLU A 31 2.350 4.511 5.096 1.00 0.00 O ATOM 346 CB GLU A 31 4.447 5.829 2.660 1.00 0.00 C ATOM 347 CG GLU A 31 5.159 6.500 3.823 1.00 0.00 C ATOM 348 CD GLU A 31 6.599 6.848 3.503 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.357 5.935 3.111 1.00 0.00 O ATOM 350 OE2 GLU A 31 6.970 8.032 3.645 1.00 0.00 O ATOM 0 H GLU A 31 2.428 6.914 4.333 1.00 0.00 H new ATOM 0 HA GLU A 31 2.546 5.017 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.007 4.942 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.449 6.505 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.622 7.408 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.133 5.840 4.690 1.00 0.00 H new ATOM 357 N PHE A 32 3.697 3.256 3.804 1.00 0.00 N ATOM 358 CA PHE A 32 3.765 2.153 4.756 1.00 0.00 C ATOM 359 C PHE A 32 4.930 1.223 4.430 1.00 0.00 C ATOM 360 O PHE A 32 5.332 1.097 3.273 1.00 0.00 O ATOM 361 CB PHE A 32 2.453 1.365 4.750 1.00 0.00 C ATOM 362 CG PHE A 32 2.028 0.918 3.380 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.528 -0.253 2.833 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.130 1.670 2.639 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.139 -0.667 1.573 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.738 1.260 1.379 1.00 0.00 C ATOM 367 CZ PHE A 32 1.243 0.091 0.845 1.00 0.00 C ATOM 0 H PHE A 32 4.232 3.108 2.948 1.00 0.00 H new ATOM 0 HA PHE A 32 3.925 2.573 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.561 0.490 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.666 1.982 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.230 -0.849 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.733 2.586 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.535 -1.582 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.037 1.854 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.938 -0.230 -0.140 1.00 0.00 H new ATOM 377 N ILE A 33 5.469 0.577 5.459 1.00 0.00 N ATOM 378 CA ILE A 33 6.587 -0.341 5.283 1.00 0.00 C ATOM 379 C ILE A 33 6.112 -1.789 5.262 1.00 0.00 C ATOM 380 O ILE A 33 5.238 -2.179 6.037 1.00 0.00 O ATOM 381 CB ILE A 33 7.635 -0.172 6.399 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.412 1.132 6.206 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.583 -1.362 6.420 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.516 1.333 7.221 1.00 0.00 C ATOM 0 H ILE A 33 5.149 0.673 6.423 1.00 0.00 H new ATOM 0 HA ILE A 33 7.046 -0.098 4.325 1.00 0.00 H new ATOM 0 HB ILE A 33 7.119 -0.127 7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.843 1.144 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.718 1.971 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.318 -1.228 7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.016 -2.275 6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.095 -1.436 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.024 2.277 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.089 1.353 8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.231 0.514 7.148 1.00 0.00 H new ATOM 396 N VAL A 34 6.694 -2.585 4.369 1.00 0.00 N ATOM 397 CA VAL A 34 6.332 -3.992 4.249 1.00 0.00 C ATOM 398 C VAL A 34 7.518 -4.894 4.574 1.00 0.00 C ATOM 399 O VAL A 34 8.431 -5.050 3.765 1.00 0.00 O ATOM 400 CB VAL A 34 5.823 -4.321 2.833 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.465 -5.795 2.724 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.630 -3.446 2.479 1.00 0.00 C ATOM 0 H VAL A 34 7.418 -2.279 3.719 1.00 0.00 H new ATOM 0 HA VAL A 34 5.532 -4.176 4.966 1.00 0.00 H new ATOM 0 HB VAL A 34 6.621 -4.112 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.107 -6.009 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.347 -6.400 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.683 -6.034 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.283 -3.692 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.826 -3.621 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.925 -2.397 2.514 1.00 0.00 H new ATOM 412 N ASN A 35 7.496 -5.485 5.764 1.00 0.00 N ATOM 413 CA ASN A 35 8.569 -6.372 6.196 1.00 0.00 C ATOM 414 C ASN A 35 8.542 -7.681 5.413 1.00 0.00 C ATOM 415 O ASN A 35 7.752 -8.579 5.707 1.00 0.00 O ATOM 416 CB ASN A 35 8.450 -6.659 7.694 1.00 0.00 C ATOM 417 CG ASN A 35 9.505 -7.633 8.182 1.00 0.00 C ATOM 418 OD1 ASN A 35 10.066 -8.401 7.401 1.00 0.00 O ATOM 419 ND2 ASN A 35 9.779 -7.605 9.481 1.00 0.00 N ATOM 0 H ASN A 35 6.747 -5.366 6.446 1.00 0.00 H new ATOM 0 HA ASN A 35 9.518 -5.873 6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.538 -5.725 8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.460 -7.063 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.480 -8.237 9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.289 -6.951 10.092 1.00 0.00 H new ATOM 426 N THR A 36 9.413 -7.784 4.413 1.00 0.00 N ATOM 427 CA THR A 36 9.489 -8.982 3.586 1.00 0.00 C ATOM 428 C THR A 36 10.845 -9.663 3.729 1.00 0.00 C ATOM 429 O THR A 36 11.159 -10.604 2.998 1.00 0.00 O ATOM 430 CB THR A 36 9.244 -8.656 2.101 1.00 0.00 C ATOM 431 OG1 THR A 36 10.060 -7.549 1.701 1.00 0.00 O ATOM 432 CG2 THR A 36 7.780 -8.330 1.852 1.00 0.00 C ATOM 0 H THR A 36 10.075 -7.052 4.157 1.00 0.00 H new ATOM 0 HA THR A 36 8.708 -9.657 3.935 1.00 0.00 H new ATOM 0 HB THR A 36 9.509 -9.534 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.283 -7.634 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.632 -8.103 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.164 -9.186 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.492 -7.467 2.452 1.00 0.00 H new ATOM 440 N LEU A 37 11.646 -9.184 4.674 1.00 0.00 N ATOM 441 CA LEU A 37 12.970 -9.748 4.914 1.00 0.00 C ATOM 442 C LEU A 37 12.868 -11.190 5.399 1.00 0.00 C ATOM 443 O LEU A 37 13.584 -12.069 4.920 1.00 0.00 O ATOM 444 CB LEU A 37 13.727 -8.905 5.942 1.00 0.00 C ATOM 445 CG LEU A 37 13.745 -7.397 5.689 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.854 -6.637 7.002 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.892 -7.026 4.760 1.00 0.00 C ATOM 0 H LEU A 37 11.402 -8.406 5.287 1.00 0.00 H new ATOM 0 HA LEU A 37 13.517 -9.739 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.288 -9.084 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.757 -9.259 5.985 1.00 0.00 H new ATOM 0 HG LEU A 37 12.808 -7.117 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.865 -5.566 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.000 -6.879 7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.775 -6.921 7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.890 -5.949 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.838 -7.320 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.771 -7.543 3.808 1.00 0.00 H new ATOM 459 N ASN A 38 11.971 -11.427 6.351 1.00 0.00 N ATOM 460 CA ASN A 38 11.774 -12.764 6.900 1.00 0.00 C ATOM 461 C ASN A 38 11.474 -13.768 5.791 1.00 0.00 C ATOM 462 O ASN A 38 11.947 -14.904 5.823 1.00 0.00 O ATOM 463 CB ASN A 38 10.633 -12.756 7.919 1.00 0.00 C ATOM 464 CG ASN A 38 10.840 -11.725 9.011 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.877 -11.707 9.674 1.00 0.00 O ATOM 466 ND2 ASN A 38 9.851 -10.860 9.204 1.00 0.00 N ATOM 0 H ASN A 38 11.369 -10.711 6.758 1.00 0.00 H new ATOM 0 HA ASN A 38 12.695 -13.065 7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.693 -12.554 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.544 -13.745 8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.933 -10.144 9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.009 -10.912 8.631 1.00 0.00 H new ATOM 473 N ALA A 39 10.684 -13.341 4.811 1.00 0.00 N ATOM 474 CA ALA A 39 10.323 -14.201 3.691 1.00 0.00 C ATOM 475 C ALA A 39 11.548 -14.558 2.855 1.00 0.00 C ATOM 476 O ALA A 39 11.903 -15.729 2.725 1.00 0.00 O ATOM 477 CB ALA A 39 9.270 -13.526 2.825 1.00 0.00 C ATOM 0 H ALA A 39 10.282 -12.404 4.770 1.00 0.00 H new ATOM 0 HA ALA A 39 9.909 -15.125 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.010 -14.180 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.380 -13.328 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.664 -12.586 2.439 1.00 0.00 H new ATOM 483 N GLY A 40 12.190 -13.540 2.290 1.00 0.00 N ATOM 484 CA GLY A 40 13.368 -13.768 1.473 1.00 0.00 C ATOM 485 C GLY A 40 13.279 -13.083 0.124 1.00 0.00 C ATOM 486 O GLY A 40 13.947 -12.077 -0.114 1.00 0.00 O ATOM 0 H GLY A 40 11.916 -12.562 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.249 -13.407 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.502 -14.840 1.325 1.00 0.00 H new ATOM 490 N SER A 41 12.453 -13.629 -0.762 1.00 0.00 N ATOM 491 CA SER A 41 12.283 -13.067 -2.097 1.00 0.00 C ATOM 492 C SER A 41 10.931 -13.460 -2.684 1.00 0.00 C ATOM 493 O SER A 41 10.255 -14.352 -2.172 1.00 0.00 O ATOM 494 CB SER A 41 13.409 -13.539 -3.019 1.00 0.00 C ATOM 495 OG SER A 41 14.648 -12.958 -2.650 1.00 0.00 O ATOM 0 H SER A 41 11.891 -14.460 -0.580 1.00 0.00 H new ATOM 0 HA SER A 41 12.322 -11.981 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.486 -14.625 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.173 -13.276 -4.050 1.00 0.00 H new ATOM 0 HG SER A 41 14.539 -12.459 -1.814 1.00 0.00 H new ATOM 501 N GLY A 42 10.543 -12.788 -3.764 1.00 0.00 N ATOM 502 CA GLY A 42 9.274 -13.080 -4.404 1.00 0.00 C ATOM 503 C GLY A 42 8.623 -11.844 -4.992 1.00 0.00 C ATOM 504 O GLY A 42 8.967 -10.720 -4.628 1.00 0.00 O ATOM 0 H GLY A 42 11.085 -12.046 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.430 -13.815 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.599 -13.531 -3.677 1.00 0.00 H new ATOM 508 N ALA A 43 7.681 -12.052 -5.906 1.00 0.00 N ATOM 509 CA ALA A 43 6.980 -10.945 -6.546 1.00 0.00 C ATOM 510 C ALA A 43 6.023 -10.265 -5.572 1.00 0.00 C ATOM 511 O ALA A 43 5.300 -10.931 -4.830 1.00 0.00 O ATOM 512 CB ALA A 43 6.227 -11.437 -7.773 1.00 0.00 C ATOM 0 H ALA A 43 7.386 -12.976 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 43 7.721 -10.209 -6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.708 -10.600 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.932 -11.870 -8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.501 -12.193 -7.475 1.00 0.00 H new ATOM 518 N LEU A 44 6.025 -8.937 -5.580 1.00 0.00 N ATOM 519 CA LEU A 44 5.157 -8.166 -4.696 1.00 0.00 C ATOM 520 C LEU A 44 4.088 -7.425 -5.494 1.00 0.00 C ATOM 521 O LEU A 44 4.330 -6.989 -6.619 1.00 0.00 O ATOM 522 CB LEU A 44 5.982 -7.170 -3.880 1.00 0.00 C ATOM 523 CG LEU A 44 5.188 -6.128 -3.090 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.635 -6.736 -1.811 1.00 0.00 C ATOM 525 CD2 LEU A 44 6.058 -4.920 -2.776 1.00 0.00 C ATOM 0 H LEU A 44 6.617 -8.372 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 44 4.662 -8.860 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.604 -7.730 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.656 -6.646 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 44 4.349 -5.797 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.073 -5.980 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.977 -7.569 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.458 -7.096 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.477 -4.189 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.917 -5.234 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.405 -4.470 -3.706 1.00 0.00 H new ATOM 537 N SER A 45 2.906 -7.284 -4.902 1.00 0.00 N ATOM 538 CA SER A 45 1.800 -6.597 -5.558 1.00 0.00 C ATOM 539 C SER A 45 1.134 -5.608 -4.606 1.00 0.00 C ATOM 540 O SER A 45 0.703 -5.974 -3.513 1.00 0.00 O ATOM 541 CB SER A 45 0.769 -7.610 -6.061 1.00 0.00 C ATOM 542 OG SER A 45 0.023 -7.082 -7.144 1.00 0.00 O ATOM 0 H SER A 45 2.690 -7.636 -3.969 1.00 0.00 H new ATOM 0 HA SER A 45 2.201 -6.044 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.275 -8.523 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.095 -7.882 -5.249 1.00 0.00 H new ATOM 0 HG SER A 45 -0.628 -7.748 -7.449 1.00 0.00 H new ATOM 548 N VAL A 46 1.055 -4.350 -5.030 1.00 0.00 N ATOM 549 CA VAL A 46 0.442 -3.307 -4.218 1.00 0.00 C ATOM 550 C VAL A 46 -0.531 -2.470 -5.041 1.00 0.00 C ATOM 551 O VAL A 46 -0.141 -1.819 -6.011 1.00 0.00 O ATOM 552 CB VAL A 46 1.505 -2.379 -3.600 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.843 -1.252 -2.822 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.449 -3.171 -2.708 1.00 0.00 C ATOM 0 H VAL A 46 1.408 -4.029 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.102 -3.808 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 46 2.089 -1.937 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.610 -0.607 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.212 -0.669 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.233 -1.672 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.194 -2.500 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.882 -3.643 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.949 -3.939 -3.298 1.00 0.00 H new ATOM 564 N THR A 47 -1.801 -2.490 -4.648 1.00 0.00 N ATOM 565 CA THR A 47 -2.830 -1.734 -5.349 1.00 0.00 C ATOM 566 C THR A 47 -3.751 -1.018 -4.368 1.00 0.00 C ATOM 567 O THR A 47 -3.911 -1.448 -3.225 1.00 0.00 O ATOM 568 CB THR A 47 -3.676 -2.645 -6.258 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.118 -3.793 -5.525 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.877 -3.090 -7.473 1.00 0.00 C ATOM 0 H THR A 47 -2.141 -3.022 -3.847 1.00 0.00 H new ATOM 0 HA THR A 47 -2.315 -0.996 -5.965 1.00 0.00 H new ATOM 0 HB THR A 47 -4.541 -2.077 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.657 -4.367 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.495 -3.732 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.567 -2.215 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.995 -3.642 -7.147 1.00 0.00 H new ATOM 578 N ILE A 48 -4.355 0.076 -4.820 1.00 0.00 N ATOM 579 CA ILE A 48 -5.261 0.850 -3.982 1.00 0.00 C ATOM 580 C ILE A 48 -6.607 1.055 -4.670 1.00 0.00 C ATOM 581 O ILE A 48 -6.669 1.278 -5.879 1.00 0.00 O ATOM 582 CB ILE A 48 -4.664 2.225 -3.627 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.404 2.054 -2.776 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.692 3.076 -2.896 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.527 3.285 -2.741 1.00 0.00 C ATOM 0 H ILE A 48 -4.233 0.446 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.407 0.279 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.389 2.735 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.695 1.796 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.825 1.216 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.255 4.044 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.564 3.221 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.994 2.573 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.653 3.091 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.205 3.532 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.090 4.121 -2.325 1.00 0.00 H new ATOM 597 N ASP A 49 -7.680 0.981 -3.891 1.00 0.00 N ATOM 598 CA ASP A 49 -9.026 1.161 -4.424 1.00 0.00 C ATOM 599 C ASP A 49 -9.851 2.072 -3.521 1.00 0.00 C ATOM 600 O ASP A 49 -10.136 1.732 -2.374 1.00 0.00 O ATOM 601 CB ASP A 49 -9.722 -0.192 -4.578 1.00 0.00 C ATOM 602 CG ASP A 49 -10.736 -0.197 -5.705 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.316 -0.187 -6.881 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.949 -0.211 -5.411 1.00 0.00 O ATOM 0 H ASP A 49 -7.645 0.798 -2.888 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.942 1.631 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.974 -0.963 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.221 -0.449 -3.643 1.00 0.00 H new ATOM 609 N GLY A 50 -10.231 3.233 -4.047 1.00 0.00 N ATOM 610 CA GLY A 50 -11.018 4.175 -3.274 1.00 0.00 C ATOM 611 C GLY A 50 -12.006 4.944 -4.130 1.00 0.00 C ATOM 612 O GLY A 50 -12.222 4.630 -5.300 1.00 0.00 O ATOM 0 H GLY A 50 -10.008 3.537 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.558 3.639 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.351 4.877 -2.774 1.00 0.00 H new ATOM 616 N PRO A 51 -12.627 5.976 -3.540 1.00 0.00 N ATOM 617 CA PRO A 51 -13.609 6.812 -4.238 1.00 0.00 C ATOM 618 C PRO A 51 -12.968 7.684 -5.312 1.00 0.00 C ATOM 619 O PRO A 51 -13.662 8.287 -6.131 1.00 0.00 O ATOM 620 CB PRO A 51 -14.191 7.682 -3.121 1.00 0.00 C ATOM 621 CG PRO A 51 -13.122 7.735 -2.085 1.00 0.00 C ATOM 622 CD PRO A 51 -12.418 6.407 -2.148 1.00 0.00 C ATOM 0 HA PRO A 51 -14.353 6.214 -4.764 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.439 8.679 -3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.109 7.251 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.429 8.554 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.546 7.906 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.358 6.502 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.840 5.695 -1.439 1.00 0.00 H new ATOM 630 N SER A 52 -11.640 7.746 -5.304 1.00 0.00 N ATOM 631 CA SER A 52 -10.907 8.547 -6.277 1.00 0.00 C ATOM 632 C SER A 52 -9.507 7.983 -6.500 1.00 0.00 C ATOM 633 O SER A 52 -8.770 7.724 -5.548 1.00 0.00 O ATOM 634 CB SER A 52 -10.815 10.000 -5.806 1.00 0.00 C ATOM 635 OG SER A 52 -10.754 10.890 -6.908 1.00 0.00 O ATOM 0 H SER A 52 -11.050 7.251 -4.635 1.00 0.00 H new ATOM 0 HA SER A 52 -11.449 8.512 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.680 10.241 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.931 10.128 -5.182 1.00 0.00 H new ATOM 0 HG SER A 52 -10.697 11.812 -6.581 1.00 0.00 H new ATOM 641 N LYS A 53 -9.146 7.796 -7.765 1.00 0.00 N ATOM 642 CA LYS A 53 -7.835 7.264 -8.116 1.00 0.00 C ATOM 643 C LYS A 53 -6.741 7.909 -7.270 1.00 0.00 C ATOM 644 O LYS A 53 -6.826 9.086 -6.921 1.00 0.00 O ATOM 645 CB LYS A 53 -7.548 7.496 -9.601 1.00 0.00 C ATOM 646 CG LYS A 53 -6.593 6.480 -10.203 1.00 0.00 C ATOM 647 CD LYS A 53 -7.291 5.163 -10.496 1.00 0.00 C ATOM 648 CE LYS A 53 -6.301 4.091 -10.926 1.00 0.00 C ATOM 649 NZ LYS A 53 -6.908 2.732 -10.895 1.00 0.00 N ATOM 0 H LYS A 53 -9.744 8.005 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.841 6.193 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.488 7.469 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.131 8.495 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.168 6.880 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.763 6.308 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.828 4.829 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.033 5.310 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.946 4.307 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.431 4.115 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.202 2.030 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.224 2.515 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.723 2.701 -11.541 1.00 0.00 H new ATOM 663 N VAL A 54 -5.715 7.129 -6.943 1.00 0.00 N ATOM 664 CA VAL A 54 -4.604 7.625 -6.140 1.00 0.00 C ATOM 665 C VAL A 54 -3.268 7.352 -6.822 1.00 0.00 C ATOM 666 O VAL A 54 -3.091 6.321 -7.470 1.00 0.00 O ATOM 667 CB VAL A 54 -4.593 6.984 -4.740 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.808 7.428 -3.940 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.541 5.468 -4.849 1.00 0.00 C ATOM 0 H VAL A 54 -5.631 6.152 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.744 8.701 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.699 7.318 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.783 6.965 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.796 8.513 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.717 7.125 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.534 5.031 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.415 5.112 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.637 5.172 -5.381 1.00 0.00 H new ATOM 679 N GLN A 55 -2.331 8.283 -6.672 1.00 0.00 N ATOM 680 CA GLN A 55 -1.011 8.143 -7.274 1.00 0.00 C ATOM 681 C GLN A 55 -0.033 7.499 -6.297 1.00 0.00 C ATOM 682 O GLN A 55 0.479 8.157 -5.390 1.00 0.00 O ATOM 683 CB GLN A 55 -0.482 9.507 -7.719 1.00 0.00 C ATOM 684 CG GLN A 55 0.606 9.422 -8.777 1.00 0.00 C ATOM 685 CD GLN A 55 1.967 9.103 -8.191 1.00 0.00 C ATOM 686 OE1 GLN A 55 2.375 9.686 -7.185 1.00 0.00 O ATOM 687 NE2 GLN A 55 2.678 8.173 -8.817 1.00 0.00 N ATOM 0 H GLN A 55 -2.462 9.142 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.104 7.496 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.310 10.099 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.092 10.037 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.340 8.656 -9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.659 10.369 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.301 7.716 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.601 7.916 -8.468 1.00 0.00 H new ATOM 696 N LEU A 56 0.222 6.209 -6.486 1.00 0.00 N ATOM 697 CA LEU A 56 1.139 5.475 -5.621 1.00 0.00 C ATOM 698 C LEU A 56 2.507 5.325 -6.280 1.00 0.00 C ATOM 699 O LEU A 56 2.606 5.146 -7.494 1.00 0.00 O ATOM 700 CB LEU A 56 0.566 4.096 -5.291 1.00 0.00 C ATOM 701 CG LEU A 56 0.847 2.990 -6.309 1.00 0.00 C ATOM 702 CD1 LEU A 56 2.234 2.406 -6.093 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.212 1.901 -6.220 1.00 0.00 C ATOM 0 H LEU A 56 -0.194 5.650 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 56 1.261 6.042 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.962 3.782 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.514 4.191 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 56 0.809 3.424 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.416 1.621 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.981 3.191 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.300 1.987 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.004 1.123 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.207 1.470 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.193 2.330 -6.426 1.00 0.00 H new ATOM 715 N ASP A 57 3.558 5.398 -5.471 1.00 0.00 N ATOM 716 CA ASP A 57 4.920 5.267 -5.974 1.00 0.00 C ATOM 717 C ASP A 57 5.687 4.202 -5.196 1.00 0.00 C ATOM 718 O ASP A 57 5.864 4.313 -3.982 1.00 0.00 O ATOM 719 CB ASP A 57 5.651 6.608 -5.884 1.00 0.00 C ATOM 720 CG ASP A 57 6.700 6.769 -6.966 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.611 5.919 -7.042 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.609 7.746 -7.739 1.00 0.00 O ATOM 0 H ASP A 57 3.493 5.547 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 57 4.867 4.960 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.927 7.419 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.125 6.695 -4.906 1.00 0.00 H new ATOM 727 N CYS A 58 6.139 3.172 -5.902 1.00 0.00 N ATOM 728 CA CYS A 58 6.886 2.086 -5.277 1.00 0.00 C ATOM 729 C CYS A 58 8.334 2.494 -5.029 1.00 0.00 C ATOM 730 O CYS A 58 9.022 2.961 -5.937 1.00 0.00 O ATOM 731 CB CYS A 58 6.838 0.835 -6.156 1.00 0.00 C ATOM 732 SG CYS A 58 6.932 -0.718 -5.235 1.00 0.00 S ATOM 0 H CYS A 58 6.002 3.066 -6.907 1.00 0.00 H new ATOM 0 HA CYS A 58 6.422 1.864 -4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.915 0.846 -6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.662 0.873 -6.869 1.00 0.00 H new ATOM 0 HG CYS A 58 6.882 -1.718 -6.064 1.00 0.00 H new ATOM 738 N ARG A 59 8.791 2.315 -3.794 1.00 0.00 N ATOM 739 CA ARG A 59 10.157 2.667 -3.426 1.00 0.00 C ATOM 740 C ARG A 59 10.864 1.487 -2.767 1.00 0.00 C ATOM 741 O ARG A 59 10.315 0.388 -2.687 1.00 0.00 O ATOM 742 CB ARG A 59 10.159 3.870 -2.480 1.00 0.00 C ATOM 743 CG ARG A 59 10.116 5.209 -3.197 1.00 0.00 C ATOM 744 CD ARG A 59 11.514 5.715 -3.518 1.00 0.00 C ATOM 745 NE ARG A 59 11.532 6.548 -4.718 1.00 0.00 N ATOM 746 CZ ARG A 59 12.638 7.085 -5.222 1.00 0.00 C ATOM 747 NH1 ARG A 59 13.808 6.877 -4.634 1.00 0.00 N ATOM 748 NH2 ARG A 59 12.573 7.832 -6.317 1.00 0.00 N ATOM 0 H ARG A 59 8.235 1.928 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 59 10.696 2.928 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.301 3.798 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.052 3.830 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.543 5.111 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.597 5.939 -2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.895 6.288 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.184 4.866 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 59 10.648 6.727 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.861 6.303 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.655 7.291 -5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.674 7.994 -6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.422 8.244 -6.704 1.00 0.00 H new ATOM 762 N GLU A 60 12.086 1.722 -2.298 1.00 0.00 N ATOM 763 CA GLU A 60 12.868 0.677 -1.648 1.00 0.00 C ATOM 764 C GLU A 60 13.300 1.111 -0.250 1.00 0.00 C ATOM 765 O GLU A 60 13.878 2.185 -0.073 1.00 0.00 O ATOM 766 CB GLU A 60 14.098 0.331 -2.489 1.00 0.00 C ATOM 767 CG GLU A 60 13.784 -0.531 -3.701 1.00 0.00 C ATOM 768 CD GLU A 60 14.963 -0.661 -4.645 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.776 -1.589 -4.453 1.00 0.00 O ATOM 770 OE2 GLU A 60 15.072 0.164 -5.576 1.00 0.00 O ATOM 0 H GLU A 60 12.555 2.626 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 60 12.239 -0.208 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.571 1.255 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.822 -0.189 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.479 -1.523 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.939 -0.102 -4.238 1.00 0.00 H new ATOM 777 N CYS A 61 13.016 0.270 0.738 1.00 0.00 N ATOM 778 CA CYS A 61 13.373 0.567 2.121 1.00 0.00 C ATOM 779 C CYS A 61 14.168 -0.581 2.735 1.00 0.00 C ATOM 780 O CYS A 61 14.144 -1.714 2.253 1.00 0.00 O ATOM 781 CB CYS A 61 12.116 0.833 2.949 1.00 0.00 C ATOM 782 SG CYS A 61 11.577 2.559 2.939 1.00 0.00 S ATOM 0 H CYS A 61 12.540 -0.623 0.608 1.00 0.00 H new ATOM 0 HA CYS A 61 13.997 1.461 2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 61 11.306 0.209 2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 61 12.301 0.527 3.979 1.00 0.00 H new ATOM 0 HG CYS A 61 10.506 2.683 3.665 1.00 0.00 H new ATOM 788 N PRO A 62 14.891 -0.284 3.825 1.00 0.00 N ATOM 789 CA PRO A 62 15.708 -1.278 4.528 1.00 0.00 C ATOM 790 C PRO A 62 14.859 -2.316 5.254 1.00 0.00 C ATOM 791 O PRO A 62 15.388 -3.223 5.896 1.00 0.00 O ATOM 792 CB PRO A 62 16.501 -0.438 5.533 1.00 0.00 C ATOM 793 CG PRO A 62 15.663 0.772 5.760 1.00 0.00 C ATOM 794 CD PRO A 62 14.967 1.045 4.455 1.00 0.00 C ATOM 0 HA PRO A 62 16.333 -1.851 3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.667 -0.984 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.482 -0.172 5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.941 0.602 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.277 1.621 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.977 1.474 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.527 1.750 3.840 1.00 0.00 H new ATOM 802 N GLU A 63 13.541 -2.177 5.147 1.00 0.00 N ATOM 803 CA GLU A 63 12.621 -3.104 5.795 1.00 0.00 C ATOM 804 C GLU A 63 11.989 -4.045 4.773 1.00 0.00 C ATOM 805 O GLU A 63 11.371 -5.046 5.134 1.00 0.00 O ATOM 806 CB GLU A 63 11.529 -2.336 6.541 1.00 0.00 C ATOM 807 CG GLU A 63 11.959 -1.844 7.913 1.00 0.00 C ATOM 808 CD GLU A 63 11.942 -2.943 8.958 1.00 0.00 C ATOM 809 OE1 GLU A 63 10.841 -3.433 9.284 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.029 -3.311 9.450 1.00 0.00 O ATOM 0 H GLU A 63 13.087 -1.432 4.618 1.00 0.00 H new ATOM 0 HA GLU A 63 13.189 -3.699 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.221 -1.482 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.656 -2.979 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.964 -1.426 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.298 -1.037 8.229 1.00 0.00 H new ATOM 817 N GLY A 64 12.148 -3.715 3.495 1.00 0.00 N ATOM 818 CA GLY A 64 11.587 -4.540 2.440 1.00 0.00 C ATOM 819 C GLY A 64 11.028 -3.717 1.296 1.00 0.00 C ATOM 820 O GLY A 64 11.779 -3.212 0.461 1.00 0.00 O ATOM 0 H GLY A 64 12.655 -2.891 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.357 -5.210 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.796 -5.166 2.854 1.00 0.00 H new ATOM 824 N HIS A 65 9.707 -3.582 1.256 1.00 0.00 N ATOM 825 CA HIS A 65 9.048 -2.816 0.205 1.00 0.00 C ATOM 826 C HIS A 65 8.220 -1.680 0.798 1.00 0.00 C ATOM 827 O HIS A 65 7.522 -1.861 1.796 1.00 0.00 O ATOM 828 CB HIS A 65 8.155 -3.727 -0.637 1.00 0.00 C ATOM 829 CG HIS A 65 8.855 -4.951 -1.143 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.916 -4.902 -2.022 1.00 0.00 N ATOM 831 CD2 HIS A 65 8.641 -6.263 -0.886 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.323 -6.130 -2.286 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.567 -6.975 -1.609 1.00 0.00 N ATOM 0 H HIS A 65 9.071 -3.993 1.940 1.00 0.00 H new ATOM 0 HA HIS A 65 9.819 -2.385 -0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.295 -4.031 -0.040 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.770 -3.161 -1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.884 -6.673 -0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.136 -6.398 -2.944 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.656 -7.991 -1.621 1.00 0.00 H new ATOM 842 N VAL A 66 8.304 -0.507 0.178 1.00 0.00 N ATOM 843 CA VAL A 66 7.562 0.659 0.644 1.00 0.00 C ATOM 844 C VAL A 66 6.853 1.357 -0.511 1.00 0.00 C ATOM 845 O VAL A 66 7.329 1.342 -1.646 1.00 0.00 O ATOM 846 CB VAL A 66 8.489 1.668 1.348 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.471 2.274 0.357 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.671 2.754 2.032 1.00 0.00 C ATOM 0 H VAL A 66 8.878 -0.339 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 66 6.820 0.299 1.357 1.00 0.00 H new ATOM 0 HB VAL A 66 9.060 1.139 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.117 2.984 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.079 1.483 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.922 2.790 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.341 3.459 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.073 3.281 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.012 2.301 2.773 1.00 0.00 H new ATOM 858 N VAL A 67 5.711 1.969 -0.213 1.00 0.00 N ATOM 859 CA VAL A 67 4.935 2.674 -1.226 1.00 0.00 C ATOM 860 C VAL A 67 4.353 3.969 -0.669 1.00 0.00 C ATOM 861 O VAL A 67 3.912 4.021 0.480 1.00 0.00 O ATOM 862 CB VAL A 67 3.789 1.799 -1.766 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.942 2.580 -2.759 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.341 0.533 -2.404 1.00 0.00 C ATOM 0 H VAL A 67 5.303 1.991 0.722 1.00 0.00 H new ATOM 0 HA VAL A 67 5.618 2.907 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 67 3.152 1.510 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.137 1.945 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.517 3.454 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.564 2.902 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.517 -0.074 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.002 0.800 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.900 -0.035 -1.660 1.00 0.00 H new ATOM 874 N THR A 68 4.353 5.013 -1.492 1.00 0.00 N ATOM 875 CA THR A 68 3.825 6.309 -1.082 1.00 0.00 C ATOM 876 C THR A 68 2.725 6.778 -2.027 1.00 0.00 C ATOM 877 O THR A 68 2.909 6.804 -3.244 1.00 0.00 O ATOM 878 CB THR A 68 4.934 7.377 -1.032 1.00 0.00 C ATOM 879 OG1 THR A 68 6.077 6.865 -0.337 1.00 0.00 O ATOM 880 CG2 THR A 68 4.439 8.639 -0.343 1.00 0.00 C ATOM 0 H THR A 68 4.713 4.987 -2.446 1.00 0.00 H new ATOM 0 HA THR A 68 3.410 6.180 -0.082 1.00 0.00 H new ATOM 0 HB THR A 68 5.214 7.627 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.778 7.549 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.239 9.379 -0.320 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.588 9.043 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.135 8.402 0.676 1.00 0.00 H new ATOM 888 N TYR A 69 1.583 7.149 -1.460 1.00 0.00 N ATOM 889 CA TYR A 69 0.452 7.617 -2.253 1.00 0.00 C ATOM 890 C TYR A 69 -0.202 8.833 -1.605 1.00 0.00 C ATOM 891 O TYR A 69 -0.026 9.087 -0.413 1.00 0.00 O ATOM 892 CB TYR A 69 -0.578 6.498 -2.419 1.00 0.00 C ATOM 893 CG TYR A 69 -1.404 6.247 -1.178 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.458 7.087 -0.839 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.131 5.169 -0.344 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.215 6.861 0.295 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.883 4.935 0.790 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.924 5.784 1.106 1.00 0.00 C ATOM 899 OH TYR A 69 -3.675 5.555 2.236 1.00 0.00 O ATOM 0 H TYR A 69 1.415 7.135 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 69 0.825 7.908 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.244 6.748 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.062 5.578 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.689 7.931 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.316 4.503 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.030 7.524 0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.658 4.092 1.426 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.310 4.785 2.721 1.00 0.00 H new ATOM 909 N THR A 70 -0.958 9.584 -2.400 1.00 0.00 N ATOM 910 CA THR A 70 -1.638 10.775 -1.907 1.00 0.00 C ATOM 911 C THR A 70 -3.137 10.704 -2.179 1.00 0.00 C ATOM 912 O THR A 70 -3.580 10.570 -3.320 1.00 0.00 O ATOM 913 CB THR A 70 -1.071 12.054 -2.551 1.00 0.00 C ATOM 914 OG1 THR A 70 0.334 12.152 -2.291 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.779 13.289 -2.016 1.00 0.00 C ATOM 0 H THR A 70 -1.115 9.388 -3.389 1.00 0.00 H new ATOM 0 HA THR A 70 -1.468 10.813 -0.831 1.00 0.00 H new ATOM 0 HB THR A 70 -1.238 11.997 -3.627 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.687 12.967 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.361 14.180 -2.485 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.843 13.225 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.640 13.349 -0.937 1.00 0.00 H new ATOM 923 N PRO A 71 -3.938 10.796 -1.107 1.00 0.00 N ATOM 924 CA PRO A 71 -5.400 10.746 -1.205 1.00 0.00 C ATOM 925 C PRO A 71 -5.979 11.991 -1.868 1.00 0.00 C ATOM 926 O PRO A 71 -5.370 13.060 -1.840 1.00 0.00 O ATOM 927 CB PRO A 71 -5.851 10.658 0.255 1.00 0.00 C ATOM 928 CG PRO A 71 -4.742 11.281 1.032 1.00 0.00 C ATOM 929 CD PRO A 71 -3.479 10.956 0.283 1.00 0.00 C ATOM 0 HA PRO A 71 -5.739 9.913 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.791 11.188 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.014 9.624 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.881 12.359 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.707 10.886 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.742 11.754 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.012 10.046 0.659 1.00 0.00 H new ATOM 937 N MET A 72 -7.159 11.845 -2.462 1.00 0.00 N ATOM 938 CA MET A 72 -7.821 12.960 -3.130 1.00 0.00 C ATOM 939 C MET A 72 -9.226 13.169 -2.576 1.00 0.00 C ATOM 940 O MET A 72 -9.883 14.164 -2.882 1.00 0.00 O ATOM 941 CB MET A 72 -7.887 12.712 -4.638 1.00 0.00 C ATOM 942 CG MET A 72 -6.666 13.216 -5.391 1.00 0.00 C ATOM 943 SD MET A 72 -7.031 13.636 -7.106 1.00 0.00 S ATOM 944 CE MET A 72 -7.300 12.008 -7.803 1.00 0.00 C ATOM 0 H MET A 72 -7.676 10.966 -2.494 1.00 0.00 H new ATOM 0 HA MET A 72 -7.238 13.861 -2.942 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.999 11.643 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.777 13.197 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.268 14.094 -4.883 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.888 12.453 -5.366 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.657 12.106 -8.828 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.364 11.450 -7.797 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.043 11.476 -7.209 1.00 0.00 H new ATOM 954 N ALA A 73 -9.682 12.225 -1.759 1.00 0.00 N ATOM 955 CA ALA A 73 -11.009 12.307 -1.161 1.00 0.00 C ATOM 956 C ALA A 73 -11.101 11.443 0.092 1.00 0.00 C ATOM 957 O ALA A 73 -10.512 10.365 0.177 1.00 0.00 O ATOM 958 CB ALA A 73 -12.069 11.891 -2.170 1.00 0.00 C ATOM 0 H ALA A 73 -9.152 11.394 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.186 13.342 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.055 11.957 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.027 12.553 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.885 10.865 -2.489 1.00 0.00 H new ATOM 964 N PRO A 74 -11.856 11.925 1.090 1.00 0.00 N ATOM 965 CA PRO A 74 -12.042 11.212 2.358 1.00 0.00 C ATOM 966 C PRO A 74 -12.887 9.953 2.196 1.00 0.00 C ATOM 967 O PRO A 74 -14.085 10.028 1.928 1.00 0.00 O ATOM 968 CB PRO A 74 -12.768 12.234 3.236 1.00 0.00 C ATOM 969 CG PRO A 74 -13.468 13.131 2.274 1.00 0.00 C ATOM 970 CD PRO A 74 -12.586 13.203 1.058 1.00 0.00 C ATOM 0 HA PRO A 74 -11.096 10.867 2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.474 11.747 3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.067 12.791 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.452 12.738 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.621 14.121 2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.170 13.309 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.907 14.055 1.104 1.00 0.00 H new ATOM 978 N GLY A 75 -12.253 8.796 2.360 1.00 0.00 N ATOM 979 CA GLY A 75 -12.963 7.537 2.229 1.00 0.00 C ATOM 980 C GLY A 75 -12.140 6.355 2.703 1.00 0.00 C ATOM 981 O GLY A 75 -11.183 6.520 3.458 1.00 0.00 O ATOM 0 H GLY A 75 -11.261 8.708 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.889 7.584 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.241 7.387 1.186 1.00 0.00 H new ATOM 985 N ASN A 76 -12.514 5.159 2.259 1.00 0.00 N ATOM 986 CA ASN A 76 -11.805 3.945 2.645 1.00 0.00 C ATOM 987 C ASN A 76 -11.071 3.341 1.451 1.00 0.00 C ATOM 988 O ASN A 76 -11.685 2.729 0.577 1.00 0.00 O ATOM 989 CB ASN A 76 -12.782 2.922 3.228 1.00 0.00 C ATOM 990 CG ASN A 76 -13.784 3.554 4.175 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.529 4.457 3.795 1.00 0.00 O ATOM 992 ND2 ASN A 76 -13.806 3.080 5.415 1.00 0.00 N ATOM 0 H ASN A 76 -13.304 5.005 1.632 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.070 4.209 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.315 2.429 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.223 2.150 3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.459 3.466 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.170 2.330 5.686 1.00 0.00 H new ATOM 999 N TYR A 77 -9.755 3.517 1.422 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.938 2.992 0.335 1.00 0.00 C ATOM 1001 C TYR A 77 -8.442 1.586 0.657 1.00 0.00 C ATOM 1002 O TYR A 77 -7.652 1.389 1.582 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.748 3.916 0.072 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.143 5.278 -0.453 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.525 6.294 0.415 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.136 5.549 -1.815 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.888 7.540 -0.059 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.496 6.792 -2.298 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.871 7.784 -1.416 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.232 9.023 -1.893 1.00 0.00 O ATOM 0 H TYR A 77 -9.231 4.019 2.139 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.557 2.943 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.185 4.042 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.080 3.439 -0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.538 6.106 1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.844 4.774 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.183 8.318 0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.484 6.986 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.717 9.513 -1.197 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.911 0.610 -0.112 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.516 -0.780 0.089 1.00 0.00 C ATOM 1022 C LEU A 78 -7.120 -1.036 -0.470 1.00 0.00 C ATOM 1023 O LEU A 78 -6.909 -0.994 -1.682 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.524 -1.719 -0.577 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.538 -3.160 -0.066 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.311 -3.913 -0.559 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -9.608 -3.187 1.453 1.00 0.00 C ATOM 0 H LEU A 78 -9.565 0.755 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.500 -0.975 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.522 -1.299 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.322 -1.736 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.426 -3.656 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.338 -4.937 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.305 -3.924 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.410 -3.418 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.617 -4.221 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.740 -2.674 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.517 -2.686 1.784 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.171 -1.303 0.421 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.797 -1.569 0.017 1.00 0.00 C ATOM 1041 C ILE A 79 -4.522 -3.067 -0.046 1.00 0.00 C ATOM 1042 O ILE A 79 -4.485 -3.745 0.980 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.789 -0.913 0.980 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.877 0.611 0.885 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.377 -1.388 0.673 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.277 1.326 2.075 1.00 0.00 C ATOM 0 H ILE A 79 -6.329 -1.341 1.428 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.672 -1.137 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.037 -1.209 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.368 0.940 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.923 0.901 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.676 -0.916 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.324 -2.471 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.117 -1.118 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.375 2.403 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.801 1.025 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.222 1.065 2.162 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.329 -3.578 -1.258 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.053 -4.996 -1.454 1.00 0.00 C ATOM 1060 C ALA A 80 -2.553 -5.267 -1.470 1.00 0.00 C ATOM 1061 O ALA A 80 -1.809 -4.647 -2.231 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.693 -5.484 -2.745 1.00 0.00 C ATOM 0 H ALA A 80 -4.359 -3.031 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.485 -5.544 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.479 -6.544 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.772 -5.335 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.288 -4.923 -3.587 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.114 -6.194 -0.626 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.702 -6.546 -0.544 1.00 0.00 C ATOM 1070 C ILE A 81 -0.505 -8.055 -0.649 1.00 0.00 C ATOM 1071 O ILE A 81 -0.885 -8.806 0.249 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.073 -6.048 0.771 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.101 -4.519 0.827 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.352 -6.563 0.904 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.108 -3.963 2.218 1.00 0.00 C ATOM 0 H ILE A 81 -2.716 -6.715 0.011 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.206 -6.058 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.657 -6.434 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.672 -4.125 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.058 -4.167 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.783 -6.203 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.347 -7.653 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.949 -6.203 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.076 -2.874 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.679 -4.328 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.078 -4.286 2.597 1.00 0.00 H new ATOM 1087 N LYS A 82 0.093 -8.492 -1.752 1.00 0.00 N ATOM 1088 CA LYS A 82 0.345 -9.911 -1.975 1.00 0.00 C ATOM 1089 C LYS A 82 1.840 -10.182 -2.116 1.00 0.00 C ATOM 1090 O LYS A 82 2.633 -9.259 -2.300 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.391 -10.389 -3.229 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.902 -10.274 -3.128 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.588 -10.829 -4.365 1.00 0.00 C ATOM 1094 CE LYS A 82 -2.771 -9.756 -5.429 1.00 0.00 C ATOM 1095 NZ LYS A 82 -3.489 -10.278 -6.624 1.00 0.00 N ATOM 0 H LYS A 82 0.412 -7.884 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.026 -10.461 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.047 -9.809 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.126 -11.429 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.250 -10.811 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.180 -9.228 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.998 -11.650 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.559 -11.240 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.327 -8.918 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.796 -9.373 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.594 -9.518 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.946 -11.061 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.429 -10.621 -6.342 1.00 0.00 H new ATOM 1109 N TYR A 83 2.216 -11.453 -2.029 1.00 0.00 N ATOM 1110 CA TYR A 83 3.615 -11.846 -2.146 1.00 0.00 C ATOM 1111 C TYR A 83 3.746 -13.359 -2.292 1.00 0.00 C ATOM 1112 O TYR A 83 3.060 -14.121 -1.612 1.00 0.00 O ATOM 1113 CB TYR A 83 4.404 -11.370 -0.924 1.00 0.00 C ATOM 1114 CG TYR A 83 5.897 -11.308 -1.154 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.487 -10.186 -1.723 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.718 -12.372 -0.801 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.850 -10.126 -1.935 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.083 -12.320 -1.008 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.644 -11.195 -1.576 1.00 0.00 C ATOM 1120 OH TYR A 83 10.003 -11.138 -1.784 1.00 0.00 O ATOM 0 H TYR A 83 1.571 -12.229 -1.878 1.00 0.00 H new ATOM 0 HA TYR A 83 4.024 -11.376 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.048 -10.381 -0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.201 -12.039 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.869 -9.346 -2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.282 -13.255 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.292 -9.247 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.707 -13.155 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 83 10.471 -11.388 -0.960 1.00 0.00 H new ATOM 1130 N GLY A 84 4.634 -13.786 -3.184 1.00 0.00 N ATOM 1131 CA GLY A 84 4.841 -15.206 -3.404 1.00 0.00 C ATOM 1132 C GLY A 84 3.547 -15.994 -3.356 1.00 0.00 C ATOM 1133 O GLY A 84 3.440 -16.980 -2.629 1.00 0.00 O ATOM 0 H GLY A 84 5.214 -13.174 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.318 -15.355 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.526 -15.592 -2.649 1.00 0.00 H new ATOM 1137 N GLY A 85 2.560 -15.557 -4.133 1.00 0.00 N ATOM 1138 CA GLY A 85 1.280 -16.240 -4.160 1.00 0.00 C ATOM 1139 C GLY A 85 0.131 -15.305 -4.480 1.00 0.00 C ATOM 1140 O GLY A 85 0.136 -14.131 -4.108 1.00 0.00 O ATOM 0 H GLY A 85 2.624 -14.743 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.313 -17.038 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.103 -16.711 -3.193 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.882 -15.826 -5.188 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.061 -15.046 -5.575 1.00 0.00 C ATOM 1146 C PRO A 86 -2.945 -14.700 -4.381 1.00 0.00 C ATOM 1147 O PRO A 86 -3.895 -13.928 -4.504 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.803 -15.977 -6.536 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.374 -17.348 -6.142 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.954 -17.217 -5.665 1.00 0.00 C ATOM 0 HA PRO A 86 -1.788 -14.087 -6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.883 -15.859 -6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.544 -15.764 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.015 -17.746 -5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.440 -18.035 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.730 -17.927 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.241 -17.404 -6.468 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.624 -15.276 -3.227 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.390 -15.027 -2.011 1.00 0.00 C ATOM 1160 C GLN A 87 -2.796 -13.864 -1.222 1.00 0.00 C ATOM 1161 O GLN A 87 -1.585 -13.645 -1.237 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.426 -16.284 -1.140 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.447 -17.312 -1.598 1.00 0.00 C ATOM 1164 CD GLN A 87 -4.394 -18.590 -0.784 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -3.333 -18.991 -0.304 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -5.542 -19.238 -0.623 1.00 0.00 N ATOM 0 H GLN A 87 -1.840 -15.917 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.408 -14.764 -2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.437 -16.743 -1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.647 -15.997 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.446 -16.882 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.274 -17.547 -2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.398 -18.870 -1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.568 -20.104 -0.084 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.658 -13.122 -0.534 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.219 -11.981 0.262 1.00 0.00 C ATOM 1177 C HIS A 88 -2.407 -12.441 1.469 1.00 0.00 C ATOM 1178 O HIS A 88 -2.697 -13.479 2.064 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.423 -11.161 0.725 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.038 -10.334 -0.362 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.162 -8.963 -0.286 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.564 -10.692 -1.557 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -5.739 -8.513 -1.386 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -5.993 -9.543 -2.174 1.00 0.00 N ATOM 0 H HIS A 88 -4.664 -13.290 -0.512 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.583 -11.356 -0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.178 -11.836 1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.114 -10.505 1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.633 -11.695 -1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.965 -7.480 -1.604 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.436 -9.493 -3.091 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.391 -11.662 1.824 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.539 -11.990 2.960 1.00 0.00 C ATOM 1195 C ILE A 89 -1.300 -11.858 4.275 1.00 0.00 C ATOM 1196 O ILE A 89 -2.408 -11.322 4.312 1.00 0.00 O ATOM 1197 CB ILE A 89 0.707 -11.085 3.009 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.301 -9.636 3.286 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.484 -11.183 1.705 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.415 -8.799 3.875 1.00 0.00 C ATOM 0 H ILE A 89 -1.138 -10.800 1.342 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.223 -13.025 2.828 1.00 0.00 H new ATOM 0 HB ILE A 89 1.352 -11.423 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.035 -9.177 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.548 -9.629 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.361 -10.538 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.800 -12.214 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.848 -10.867 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.056 -7.784 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.736 -9.234 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.257 -8.775 3.183 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.698 -12.350 5.353 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.318 -12.285 6.671 1.00 0.00 C ATOM 1214 C VAL A 90 -1.707 -10.854 7.026 1.00 0.00 C ATOM 1215 O VAL A 90 -0.850 -9.982 7.161 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.378 -12.835 7.761 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.966 -12.124 7.715 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.017 -12.695 9.135 1.00 0.00 C ATOM 0 H VAL A 90 0.218 -12.798 5.340 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.215 -12.903 6.629 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.209 -13.895 7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.617 -12.525 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.427 -12.280 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.819 -11.057 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.340 -13.088 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.217 -11.643 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.953 -13.253 9.160 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.008 -10.621 7.176 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.488 -9.294 7.514 1.00 0.00 C ATOM 1230 C GLY A 91 -4.162 -8.606 6.344 1.00 0.00 C ATOM 1231 O GLY A 91 -5.152 -7.895 6.519 1.00 0.00 O ATOM 0 H GLY A 91 -3.737 -11.327 7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.191 -9.366 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.652 -8.685 7.857 1.00 0.00 H new ATOM 1235 N SER A 92 -3.625 -8.815 5.147 1.00 0.00 N ATOM 1236 CA SER A 92 -4.178 -8.206 3.943 1.00 0.00 C ATOM 1237 C SER A 92 -5.484 -8.884 3.541 1.00 0.00 C ATOM 1238 O SER A 92 -5.726 -10.052 3.845 1.00 0.00 O ATOM 1239 CB SER A 92 -3.171 -8.290 2.794 1.00 0.00 C ATOM 1240 OG SER A 92 -2.053 -7.453 3.033 1.00 0.00 O ATOM 0 H SER A 92 -2.807 -9.402 4.985 1.00 0.00 H new ATOM 0 HA SER A 92 -4.385 -7.158 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.838 -9.321 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.654 -7.999 1.861 1.00 0.00 H new ATOM 0 HG SER A 92 -2.245 -6.858 3.787 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.347 -8.134 2.839 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.070 -6.743 2.471 1.00 0.00 C ATOM 1248 C PRO A 93 -6.088 -5.810 3.677 1.00 0.00 C ATOM 1249 O PRO A 93 -6.393 -6.228 4.794 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.210 -6.396 1.510 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.318 -7.317 1.889 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.660 -8.588 2.352 1.00 0.00 C ATOM 0 HA PRO A 93 -5.077 -6.627 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.510 -5.353 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.911 -6.542 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.932 -6.885 2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.977 -7.505 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.235 -9.074 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.560 -9.308 1.540 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.760 -4.543 3.445 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.739 -3.550 4.513 1.00 0.00 C ATOM 1262 C PHE A 94 -6.705 -2.408 4.213 1.00 0.00 C ATOM 1263 O PHE A 94 -6.778 -1.921 3.084 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.323 -3.001 4.698 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.410 -3.934 5.441 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.479 -4.040 6.820 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.483 -4.706 4.758 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.639 -4.898 7.506 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.641 -5.566 5.438 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.720 -5.662 6.814 1.00 0.00 C ATOM 0 H PHE A 94 -5.505 -4.180 2.527 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.056 -4.037 5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.894 -2.789 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.376 -2.054 5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.197 -3.446 7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.418 -4.635 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.702 -4.971 8.582 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.923 -6.162 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.064 -6.334 7.348 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.445 -1.985 5.232 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.407 -0.900 5.080 1.00 0.00 C ATOM 1282 C LYS A 95 -7.830 0.415 5.594 1.00 0.00 C ATOM 1283 O LYS A 95 -7.469 0.530 6.765 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.701 -1.228 5.830 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.938 -0.599 5.213 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.182 -1.424 5.496 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.288 -2.615 4.555 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.040 -2.277 3.315 1.00 0.00 N ATOM 0 H LYS A 95 -7.397 -2.377 6.172 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.627 -0.790 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.830 -2.310 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.608 -0.890 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.071 0.408 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.800 -0.504 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.160 -1.775 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.067 -0.797 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.288 -2.959 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.784 -3.439 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.090 -3.114 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.003 -1.973 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.553 -1.507 2.813 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.746 1.405 4.712 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.216 2.713 5.078 1.00 0.00 C ATOM 1304 C ALA A 96 -8.308 3.776 5.046 1.00 0.00 C ATOM 1305 O ALA A 96 -8.788 4.157 3.978 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.074 3.098 4.149 1.00 0.00 C ATOM 0 H ALA A 96 -8.038 1.326 3.738 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.835 2.651 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.688 4.077 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.278 2.357 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.437 3.136 3.122 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.698 4.252 6.224 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.733 5.273 6.332 1.00 0.00 C ATOM 1314 C LYS A 97 -9.117 6.663 6.454 1.00 0.00 C ATOM 1315 O LYS A 97 -8.590 7.029 7.505 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.630 4.993 7.541 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.876 5.860 7.587 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.553 5.791 8.946 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.743 6.735 9.025 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.929 6.193 8.307 1.00 0.00 N ATOM 0 H LYS A 97 -8.312 3.947 7.118 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.336 5.241 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.927 3.944 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.055 5.149 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.610 6.893 7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.574 5.537 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.884 4.770 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.834 6.044 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.999 6.909 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.470 7.700 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.719 6.865 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.692 6.050 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.206 5.284 8.730 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.188 7.434 5.374 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.639 8.785 5.361 1.00 0.00 C ATOM 1336 C VAL A 98 -9.700 9.813 5.736 1.00 0.00 C ATOM 1337 O VAL A 98 -10.866 9.683 5.362 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.059 9.142 3.980 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.446 10.534 4.002 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.032 8.105 3.549 1.00 0.00 C ATOM 0 H VAL A 98 -9.620 7.146 4.496 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.838 8.808 6.100 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.871 9.140 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.041 10.769 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.212 11.265 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.645 10.567 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.633 8.373 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.220 8.073 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.506 7.125 3.491 1.00 0.00 H new ATOM 1350 N THR A 99 -9.289 10.837 6.478 1.00 0.00 N ATOM 1351 CA THR A 99 -10.204 11.888 6.904 1.00 0.00 C ATOM 1352 C THR A 99 -9.783 13.243 6.347 1.00 0.00 C ATOM 1353 O THR A 99 -8.655 13.412 5.885 1.00 0.00 O ATOM 1354 CB THR A 99 -10.280 11.978 8.440 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.267 12.940 8.826 1.00 0.00 O ATOM 1356 CG2 THR A 99 -8.931 12.365 9.026 1.00 0.00 C ATOM 0 H THR A 99 -8.328 10.960 6.796 1.00 0.00 H new ATOM 0 HA THR A 99 -11.188 11.628 6.513 1.00 0.00 H new ATOM 0 HB THR A 99 -10.559 10.998 8.826 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.310 12.990 9.804 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.009 12.422 10.112 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.188 11.615 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.628 13.335 8.632 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.697 14.207 6.395 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.400 15.536 5.892 1.00 0.00 C ATOM 1366 C GLY A 100 -11.224 15.890 4.669 1.00 0.00 C ATOM 1367 O GLY A 100 -11.809 15.026 4.016 1.00 0.00 O ATOM 0 H GLY A 100 -11.637 14.092 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.587 16.269 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.341 15.599 5.643 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.279 17.191 4.345 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.035 17.687 3.192 1.00 0.00 C ATOM 1373 C PRO A 101 -11.402 17.282 1.865 1.00 0.00 C ATOM 1374 O PRO A 101 -10.178 17.240 1.738 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.988 19.208 3.364 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.756 19.460 4.163 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.606 18.276 5.078 1.00 0.00 C ATOM 0 HA PRO A 101 -13.045 17.278 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.945 19.714 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.876 19.576 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.886 19.565 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.843 20.385 4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.558 18.044 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.072 18.455 6.047 1.00 0.00 H new