USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 55 MET CE :methyl 157:sc= -0.501 (180deg=-1.18) USER MOD Set 1.2: A 87 THR OG1 : rot 133:sc= 0.263 USER MOD Set 1.3: A 90 GLN : amide:sc= -0.251 X(o=-0.49,f=-0.85!) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc=-0.00735 (180deg=-0.236) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0673 F(o=-1.5!,f=-0.067) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.155 F(o=-4.2!,f=-0.15) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -19:sc= 0.796 USER MOD Single : A 38 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.23) USER MOD Single : A 40 TYR OH : rot -140:sc= -0.369 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.0581 (180deg=-0.396) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0679 (180deg=-0.374) USER MOD Single : A 61 SER OG : rot 170:sc= -0.0122 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -145:sc= 0 (180deg=-1.85!) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.796 F(o=-0.69,f=0.8) USER MOD Single : A 71 GLN : amide:sc= -0.0504 K(o=-0.05,f=-0.7) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.21 K(o=-2.2,f=-6.8!) USER MOD Single : A 80 THR OG1 : rot -16:sc= 0.701 USER MOD Single : A 81 LYS NZ :NH3+ -116:sc= -0.703 (180deg=-2.21!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.169 USER MOD Single : A 95 SER OG : rot -16:sc= 0.101 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 5.856 -1.740 10.282 1.00 1.01 N ATOM 104 CA GLY A 9 4.589 -2.223 9.764 1.00 1.09 C ATOM 105 C GLY A 9 3.643 -1.091 9.414 1.00 1.08 C ATOM 106 O GLY A 9 2.837 -1.207 8.493 1.00 1.26 O ATOM 0 HA2 GLY A 9 4.769 -2.831 8.877 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.119 -2.871 10.504 1.00 1.09 H new ATOM 110 N LYS A 10 3.753 0.007 10.154 1.00 1.12 N ATOM 111 CA LYS A 10 2.909 1.182 9.940 1.00 1.33 C ATOM 112 C LYS A 10 2.970 1.696 8.494 1.00 1.14 C ATOM 113 O LYS A 10 1.928 1.932 7.882 1.00 1.22 O ATOM 114 CB LYS A 10 3.315 2.299 10.906 1.00 1.68 C ATOM 115 CG LYS A 10 2.658 3.638 10.609 1.00 2.23 C ATOM 116 CD LYS A 10 3.114 4.710 11.585 1.00 3.07 C ATOM 117 CE LYS A 10 2.483 6.055 11.269 1.00 3.89 C ATOM 118 NZ LYS A 10 0.997 5.999 11.326 1.00 4.57 N ATOM 0 H LYS A 10 4.424 0.110 10.915 1.00 1.12 H new ATOM 0 HA LYS A 10 1.880 0.878 10.132 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.061 1.998 11.922 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.398 2.421 10.871 1.00 1.68 H new ATOM 0 HG2 LYS A 10 2.899 3.945 9.591 1.00 2.23 H new ATOM 0 HG3 LYS A 10 1.574 3.533 10.662 1.00 2.23 H new ATOM 0 HD2 LYS A 10 2.852 4.414 12.601 1.00 3.07 H new ATOM 0 HD3 LYS A 10 4.200 4.799 11.549 1.00 3.07 H new ATOM 0 HE2 LYS A 10 2.845 6.801 11.976 1.00 3.89 H new ATOM 0 HE3 LYS A 10 2.796 6.378 10.276 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.612 6.965 11.307 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 0.638 5.467 10.507 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 0.701 5.525 12.203 1.00 4.57 H new ATOM 132 N PRO A 11 4.180 1.881 7.921 1.00 1.03 N ATOM 133 CA PRO A 11 4.327 2.394 6.550 1.00 1.05 C ATOM 134 C PRO A 11 3.755 1.455 5.495 1.00 0.77 C ATOM 135 O PRO A 11 2.844 1.823 4.754 1.00 0.72 O ATOM 136 CB PRO A 11 5.844 2.521 6.376 1.00 1.20 C ATOM 137 CG PRO A 11 6.412 1.554 7.353 1.00 1.49 C ATOM 138 CD PRO A 11 5.491 1.595 8.536 1.00 1.15 C ATOM 0 HA PRO A 11 3.782 3.328 6.417 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.148 2.281 5.357 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.183 3.537 6.579 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.462 0.551 6.929 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.427 1.832 7.636 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.486 0.649 9.077 1.00 1.15 H new ATOM 0 HD3 PRO A 11 5.781 2.368 9.248 1.00 1.15 H new ATOM 146 N LEU A 12 4.297 0.244 5.431 1.00 0.70 N ATOM 147 CA LEU A 12 3.852 -0.748 4.457 1.00 0.57 C ATOM 148 C LEU A 12 2.349 -0.992 4.557 1.00 0.48 C ATOM 149 O LEU A 12 1.708 -1.373 3.577 1.00 0.53 O ATOM 150 CB LEU A 12 4.612 -2.060 4.661 1.00 0.61 C ATOM 151 CG LEU A 12 4.424 -3.101 3.556 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.012 -2.605 2.244 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.059 -4.421 3.961 1.00 0.91 C ATOM 0 H LEU A 12 5.047 -0.076 6.044 1.00 0.70 H new ATOM 0 HA LEU A 12 4.063 -0.359 3.461 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.675 -1.835 4.749 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.299 -2.499 5.608 1.00 0.61 H new ATOM 0 HG LEU A 12 3.356 -3.260 3.411 1.00 0.58 H new ATOM 0 HD11 LEU A 12 4.867 -3.361 1.472 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.513 -1.683 1.947 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.078 -2.416 2.371 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.917 -5.152 3.165 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.125 -4.274 4.133 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.590 -4.785 4.875 1.00 0.91 H new ATOM 165 N SER A 13 1.790 -0.767 5.742 1.00 0.52 N ATOM 166 CA SER A 13 0.360 -0.962 5.959 1.00 0.61 C ATOM 167 C SER A 13 -0.431 0.232 5.445 1.00 0.58 C ATOM 168 O SER A 13 -1.542 0.081 4.937 1.00 0.69 O ATOM 169 CB SER A 13 0.071 -1.184 7.444 1.00 0.78 C ATOM 170 OG SER A 13 -1.317 -1.342 7.676 1.00 1.39 O ATOM 0 H SER A 13 2.303 -0.450 6.565 1.00 0.52 H new ATOM 0 HA SER A 13 0.050 -1.847 5.404 1.00 0.61 H new ATOM 0 HB2 SER A 13 0.604 -2.068 7.793 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.445 -0.338 8.021 1.00 0.78 H new ATOM 0 HG SER A 13 -1.475 -1.484 8.633 1.00 1.39 H new ATOM 176 N GLY A 14 0.151 1.417 5.582 1.00 0.56 N ATOM 177 CA GLY A 14 -0.506 2.625 5.123 1.00 0.59 C ATOM 178 C GLY A 14 0.204 3.241 3.936 1.00 0.55 C ATOM 179 O GLY A 14 0.176 4.457 3.751 1.00 0.58 O ATOM 0 H GLY A 14 1.068 1.563 6.004 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.536 2.396 4.850 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.545 3.348 5.937 1.00 0.59 H new ATOM 183 N LEU A 15 0.843 2.398 3.132 1.00 0.52 N ATOM 184 CA LEU A 15 1.563 2.868 1.957 1.00 0.52 C ATOM 185 C LEU A 15 0.615 3.064 0.788 1.00 0.46 C ATOM 186 O LEU A 15 0.675 4.081 0.101 1.00 0.47 O ATOM 187 CB LEU A 15 2.664 1.888 1.578 1.00 0.57 C ATOM 188 CG LEU A 15 4.033 2.530 1.364 1.00 0.69 C ATOM 189 CD1 LEU A 15 5.041 1.994 2.366 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.521 2.311 -0.057 1.00 1.10 C ATOM 0 H LEU A 15 0.876 1.388 3.273 1.00 0.52 H new ATOM 0 HA LEU A 15 2.017 3.829 2.200 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.748 1.134 2.361 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.373 1.369 0.665 1.00 0.57 H new ATOM 0 HG LEU A 15 3.929 3.603 1.523 1.00 0.69 H new ATOM 0 HD11 LEU A 15 6.009 2.465 2.195 1.00 0.97 H new ATOM 0 HD12 LEU A 15 4.702 2.217 3.378 1.00 0.97 H new ATOM 0 HD13 LEU A 15 5.136 0.915 2.245 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.498 2.778 -0.182 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.602 1.242 -0.253 1.00 1.10 H new ATOM 0 HD23 LEU A 15 3.814 2.756 -0.757 1.00 1.10 H new ATOM 202 N LEU A 16 -0.262 2.087 0.566 1.00 0.45 N ATOM 203 CA LEU A 16 -1.239 2.177 -0.513 1.00 0.42 C ATOM 204 C LEU A 16 -1.987 3.498 -0.395 1.00 0.40 C ATOM 205 O LEU A 16 -2.583 3.989 -1.355 1.00 0.41 O ATOM 206 CB LEU A 16 -2.226 1.000 -0.466 1.00 0.47 C ATOM 207 CG LEU A 16 -1.605 -0.409 -0.441 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.328 -0.467 -1.274 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.332 -0.854 0.991 1.00 0.92 C ATOM 0 H LEU A 16 -0.315 1.230 1.116 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.717 2.132 -1.469 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.853 1.114 0.419 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.883 1.069 -1.333 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.325 -1.097 -0.884 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.086 -1.475 -1.236 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.556 -0.207 -2.308 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.400 0.239 -0.874 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.894 -1.852 0.985 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.640 -0.157 1.463 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.267 -0.872 1.551 1.00 0.92 H new ATOM 221 N ASN A 17 -1.942 4.061 0.809 1.00 0.40 N ATOM 222 CA ASN A 17 -2.576 5.334 1.106 1.00 0.42 C ATOM 223 C ASN A 17 -1.759 6.484 0.522 1.00 0.38 C ATOM 224 O ASN A 17 -2.258 7.268 -0.285 1.00 0.42 O ATOM 225 CB ASN A 17 -2.697 5.499 2.621 1.00 0.47 C ATOM 226 CG ASN A 17 -3.751 4.590 3.226 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.804 4.310 2.466 1.00 1.93 O flip ATOM 228 ND2 ASN A 17 -3.620 4.146 4.366 1.00 2.33 N flip ATOM 0 H ASN A 17 -1.462 3.643 1.606 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.569 5.351 0.656 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.733 5.289 3.084 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.942 6.536 2.851 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -2.795 4.387 4.915 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.336 3.537 4.762 1.00 2.33 H new ATOM 235 N ALA A 18 -0.497 6.574 0.943 1.00 0.37 N ATOM 236 CA ALA A 18 0.408 7.615 0.462 1.00 0.37 C ATOM 237 C ALA A 18 0.511 7.583 -1.061 1.00 0.38 C ATOM 238 O ALA A 18 0.599 8.621 -1.716 1.00 0.44 O ATOM 239 CB ALA A 18 1.783 7.432 1.080 1.00 0.42 C ATOM 0 H ALA A 18 -0.078 5.935 1.619 1.00 0.37 H new ATOM 0 HA ALA A 18 0.007 8.584 0.758 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.452 8.212 0.716 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.706 7.497 2.165 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.180 6.455 0.802 1.00 0.42 H new ATOM 245 N LEU A 19 0.479 6.374 -1.615 1.00 0.42 N ATOM 246 CA LEU A 19 0.584 6.171 -3.058 1.00 0.48 C ATOM 247 C LEU A 19 -0.633 6.713 -3.809 1.00 0.52 C ATOM 248 O LEU A 19 -0.799 6.451 -5.001 1.00 0.69 O ATOM 249 CB LEU A 19 0.758 4.683 -3.363 1.00 0.51 C ATOM 250 CG LEU A 19 1.960 4.020 -2.688 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.877 2.508 -2.817 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.258 4.534 -3.286 1.00 0.94 C ATOM 0 H LEU A 19 0.380 5.511 -1.080 1.00 0.42 H new ATOM 0 HA LEU A 19 1.457 6.726 -3.402 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.147 4.157 -3.058 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.851 4.557 -4.442 1.00 0.51 H new ATOM 0 HG LEU A 19 1.944 4.277 -1.629 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.740 2.053 -2.331 1.00 0.77 H new ATOM 0 HD12 LEU A 19 0.963 2.152 -2.341 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.868 2.233 -3.872 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.102 4.051 -2.793 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.282 4.308 -4.352 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.323 5.613 -3.142 1.00 0.94 H new ATOM 264 N ALA A 20 -1.482 7.466 -3.115 1.00 0.54 N ATOM 265 CA ALA A 20 -2.676 8.040 -3.727 1.00 0.64 C ATOM 266 C ALA A 20 -2.318 9.109 -4.759 1.00 0.78 C ATOM 267 O ALA A 20 -3.199 9.782 -5.294 1.00 1.59 O ATOM 268 CB ALA A 20 -3.585 8.626 -2.657 1.00 0.76 C ATOM 0 H ALA A 20 -1.365 7.693 -2.127 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.203 7.239 -4.245 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.472 9.051 -3.126 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.883 7.840 -1.963 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.052 9.407 -2.115 1.00 0.76 H new ATOM 274 N GLN A 21 -1.021 9.259 -5.030 1.00 0.71 N ATOM 275 CA GLN A 21 -0.536 10.244 -5.996 1.00 0.81 C ATOM 276 C GLN A 21 -1.374 10.230 -7.273 1.00 1.05 C ATOM 277 O GLN A 21 -1.624 11.275 -7.874 1.00 1.54 O ATOM 278 CB GLN A 21 0.932 9.961 -6.330 1.00 1.12 C ATOM 279 CG GLN A 21 1.610 11.072 -7.114 1.00 1.08 C ATOM 280 CD GLN A 21 3.020 10.705 -7.532 1.00 1.24 C ATOM 281 OE1 GLN A 21 3.987 10.979 -6.661 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 3.239 10.175 -8.621 1.00 1.21 N flip ATOM 0 H GLN A 21 -0.284 8.707 -4.591 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.625 11.233 -5.547 1.00 0.81 H new ATOM 0 HB2 GLN A 21 1.480 9.797 -5.402 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.992 9.036 -6.903 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.019 11.301 -8.001 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.638 11.977 -6.507 1.00 1.08 H new ATOM 0 HE21 GLN A 21 2.467 9.983 -9.259 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.193 9.928 -8.885 1.00 1.21 H new ATOM 404 N ILE A 30 -2.407 14.926 -2.569 1.00 1.02 N ATOM 405 CA ILE A 30 -1.337 13.986 -2.257 1.00 0.84 C ATOM 406 C ILE A 30 -0.137 14.197 -3.183 1.00 0.87 C ATOM 407 O ILE A 30 0.037 13.495 -4.179 1.00 1.18 O ATOM 408 CB ILE A 30 -1.840 12.526 -2.346 1.00 0.87 C ATOM 409 CG1 ILE A 30 -0.704 11.530 -2.082 1.00 0.77 C ATOM 410 CG2 ILE A 30 -2.489 12.261 -3.695 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.316 11.427 -0.622 1.00 0.75 C ATOM 0 HA ILE A 30 -1.016 14.175 -1.233 1.00 0.84 H new ATOM 0 HB ILE A 30 -2.593 12.384 -1.571 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.005 10.545 -2.440 1.00 0.77 H new ATOM 0 HG13 ILE A 30 0.170 11.827 -2.662 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -2.835 11.228 -3.736 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -3.336 12.933 -3.830 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -1.761 12.431 -4.489 1.00 1.08 H new ATOM 0 HD11 ILE A 30 0.493 10.705 -0.511 1.00 0.75 H new ATOM 0 HD12 ILE A 30 0.016 12.402 -0.264 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.177 11.100 -0.039 1.00 0.75 H new ATOM 423 N THR A 31 0.684 15.186 -2.846 1.00 0.88 N ATOM 424 CA THR A 31 1.869 15.509 -3.634 1.00 0.97 C ATOM 425 C THR A 31 2.892 14.377 -3.568 1.00 0.86 C ATOM 426 O THR A 31 2.857 13.551 -2.656 1.00 0.78 O ATOM 427 CB THR A 31 2.520 16.817 -3.140 1.00 1.07 C ATOM 428 OG1 THR A 31 1.529 17.847 -3.039 1.00 1.72 O ATOM 429 CG2 THR A 31 3.628 17.272 -4.078 1.00 1.06 C ATOM 0 H THR A 31 0.550 15.781 -2.028 1.00 0.88 H new ATOM 0 HA THR A 31 1.549 15.640 -4.668 1.00 0.97 H new ATOM 0 HB THR A 31 2.956 16.625 -2.160 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.948 18.675 -2.723 1.00 1.72 H new ATOM 0 HG21 THR A 31 4.066 18.196 -3.702 1.00 1.06 H new ATOM 0 HG22 THR A 31 4.397 16.502 -4.133 1.00 1.06 H new ATOM 0 HG23 THR A 31 3.215 17.444 -5.072 1.00 1.06 H new ATOM 437 N GLU A 32 3.794 14.331 -4.546 1.00 0.93 N ATOM 438 CA GLU A 32 4.823 13.297 -4.584 1.00 0.95 C ATOM 439 C GLU A 32 5.716 13.372 -3.350 1.00 0.84 C ATOM 440 O GLU A 32 5.972 12.361 -2.695 1.00 0.91 O ATOM 441 CB GLU A 32 5.670 13.433 -5.852 1.00 1.15 C ATOM 442 CG GLU A 32 6.762 12.381 -5.972 1.00 1.47 C ATOM 443 CD GLU A 32 7.568 12.520 -7.249 1.00 1.59 C ATOM 444 OE1 GLU A 32 8.576 13.259 -7.237 1.00 1.98 O ATOM 445 OE2 GLU A 32 7.191 11.892 -8.260 1.00 1.56 O ATOM 0 H GLU A 32 3.833 14.995 -5.319 1.00 0.93 H new ATOM 0 HA GLU A 32 4.326 12.327 -4.592 1.00 0.95 H new ATOM 0 HB2 GLU A 32 5.018 13.368 -6.723 1.00 1.15 H new ATOM 0 HB3 GLU A 32 6.127 14.422 -5.869 1.00 1.15 H new ATOM 0 HG2 GLU A 32 7.431 12.457 -5.115 1.00 1.47 H new ATOM 0 HG3 GLU A 32 6.311 11.389 -5.937 1.00 1.47 H new ATOM 452 N GLU A 33 6.186 14.576 -3.037 1.00 0.80 N ATOM 453 CA GLU A 33 7.042 14.782 -1.874 1.00 0.79 C ATOM 454 C GLU A 33 6.228 14.651 -0.593 1.00 0.64 C ATOM 455 O GLU A 33 6.773 14.655 0.511 1.00 0.70 O ATOM 456 CB GLU A 33 7.699 16.162 -1.939 1.00 0.97 C ATOM 457 CG GLU A 33 6.702 17.309 -1.930 1.00 1.63 C ATOM 458 CD GLU A 33 7.368 18.661 -2.102 1.00 2.05 C ATOM 459 OE1 GLU A 33 7.845 19.219 -1.091 1.00 2.64 O ATOM 460 OE2 GLU A 33 7.412 19.160 -3.246 1.00 2.36 O ATOM 0 H GLU A 33 5.989 15.422 -3.572 1.00 0.80 H new ATOM 0 HA GLU A 33 7.822 14.021 -1.875 1.00 0.79 H new ATOM 0 HB2 GLU A 33 8.377 16.273 -1.092 1.00 0.97 H new ATOM 0 HB3 GLU A 33 8.305 16.225 -2.843 1.00 0.97 H new ATOM 0 HG2 GLU A 33 5.976 17.161 -2.730 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.149 17.297 -0.991 1.00 1.63 H new ATOM 467 N LEU A 34 4.917 14.539 -0.761 1.00 0.54 N ATOM 468 CA LEU A 34 3.999 14.408 0.363 1.00 0.49 C ATOM 469 C LEU A 34 3.887 12.952 0.806 1.00 0.43 C ATOM 470 O LEU A 34 4.130 12.627 1.968 1.00 0.46 O ATOM 471 CB LEU A 34 2.622 14.950 -0.036 1.00 0.57 C ATOM 472 CG LEU A 34 1.672 15.306 1.113 1.00 0.91 C ATOM 473 CD1 LEU A 34 1.139 14.047 1.772 1.00 1.75 C ATOM 474 CD2 LEU A 34 2.364 16.198 2.135 1.00 1.48 C ATOM 0 H LEU A 34 4.462 14.536 -1.674 1.00 0.54 H new ATOM 0 HA LEU A 34 4.386 14.986 1.202 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.769 15.841 -0.647 1.00 0.57 H new ATOM 0 HB3 LEU A 34 2.132 14.208 -0.667 1.00 0.57 H new ATOM 0 HG LEU A 34 0.830 15.860 0.699 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.466 14.319 2.585 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.597 13.453 1.036 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.970 13.464 2.168 1.00 1.75 H new ATOM 0 HD21 LEU A 34 1.669 16.436 2.940 1.00 1.48 H new ATOM 0 HD22 LEU A 34 3.230 15.678 2.545 1.00 1.48 H new ATOM 0 HD23 LEU A 34 2.690 17.119 1.652 1.00 1.48 H new ATOM 486 N LEU A 35 3.521 12.082 -0.133 1.00 0.45 N ATOM 487 CA LEU A 35 3.360 10.665 0.140 1.00 0.49 C ATOM 488 C LEU A 35 4.562 10.096 0.891 1.00 0.43 C ATOM 489 O LEU A 35 4.419 9.183 1.704 1.00 0.50 O ATOM 490 CB LEU A 35 3.138 9.919 -1.176 1.00 0.63 C ATOM 491 CG LEU A 35 4.397 9.604 -1.990 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.926 8.218 -1.647 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.102 9.709 -3.480 1.00 1.08 C ATOM 0 H LEU A 35 3.329 12.343 -1.100 1.00 0.45 H new ATOM 0 HA LEU A 35 2.490 10.532 0.784 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.627 8.981 -0.957 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.466 10.511 -1.797 1.00 0.63 H new ATOM 0 HG LEU A 35 5.165 10.334 -1.735 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.820 8.014 -2.236 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.172 8.175 -0.586 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.164 7.472 -1.873 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.005 9.483 -4.047 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.319 8.999 -3.747 1.00 1.08 H new ATOM 0 HD23 LEU A 35 3.770 10.720 -3.715 1.00 1.08 H new ATOM 505 N ARG A 36 5.742 10.637 0.613 1.00 0.38 N ATOM 506 CA ARG A 36 6.961 10.185 1.273 1.00 0.38 C ATOM 507 C ARG A 36 6.932 10.534 2.758 1.00 0.34 C ATOM 508 O ARG A 36 6.978 9.654 3.618 1.00 0.37 O ATOM 509 CB ARG A 36 8.189 10.818 0.613 1.00 0.46 C ATOM 510 CG ARG A 36 9.429 10.812 1.494 1.00 1.18 C ATOM 511 CD ARG A 36 10.575 11.574 0.851 1.00 1.73 C ATOM 512 NE ARG A 36 11.676 11.798 1.786 1.00 2.64 N ATOM 513 CZ ARG A 36 12.544 12.800 1.682 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.448 13.667 0.683 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.512 12.938 2.579 1.00 4.28 N ATOM 0 H ARG A 36 5.881 11.388 -0.063 1.00 0.38 H new ATOM 0 HA ARG A 36 7.021 9.101 1.171 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.409 10.285 -0.312 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.954 11.847 0.339 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.192 11.257 2.460 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.736 9.784 1.684 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.940 11.019 -0.013 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.211 12.533 0.483 1.00 1.73 H new ATOM 0 HE ARG A 36 11.785 11.147 2.564 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.706 13.567 -0.010 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.116 14.434 0.607 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.591 12.275 3.350 1.00 4.28 H new ATOM 0 HH22 ARG A 36 14.177 13.707 2.498 1.00 4.28 H new ATOM 529 N SER A 37 6.853 11.828 3.046 1.00 0.36 N ATOM 530 CA SER A 37 6.830 12.314 4.420 1.00 0.40 C ATOM 531 C SER A 37 5.677 11.705 5.218 1.00 0.40 C ATOM 532 O SER A 37 5.706 11.693 6.448 1.00 0.46 O ATOM 533 CB SER A 37 6.719 13.839 4.435 1.00 0.47 C ATOM 534 OG SER A 37 5.523 14.269 3.808 1.00 1.33 O ATOM 0 H SER A 37 6.804 12.563 2.341 1.00 0.36 H new ATOM 0 HA SER A 37 7.763 12.008 4.893 1.00 0.40 H new ATOM 0 HB2 SER A 37 6.744 14.199 5.464 1.00 0.47 H new ATOM 0 HB3 SER A 37 7.578 14.274 3.924 1.00 0.47 H new ATOM 0 HG SER A 37 5.179 13.553 3.234 1.00 1.33 H new ATOM 540 N GLN A 38 4.664 11.204 4.515 1.00 0.36 N ATOM 541 CA GLN A 38 3.500 10.609 5.165 1.00 0.39 C ATOM 542 C GLN A 38 3.887 9.500 6.139 1.00 0.43 C ATOM 543 O GLN A 38 3.498 9.533 7.307 1.00 0.67 O ATOM 544 CB GLN A 38 2.526 10.057 4.124 1.00 0.42 C ATOM 545 CG GLN A 38 1.719 11.127 3.412 1.00 0.74 C ATOM 546 CD GLN A 38 0.786 11.873 4.347 1.00 1.11 C ATOM 547 OE1 GLN A 38 -0.359 11.473 4.549 1.00 1.74 O ATOM 548 NE2 GLN A 38 1.274 12.966 4.922 1.00 1.84 N ATOM 0 H GLN A 38 4.626 11.198 3.496 1.00 0.36 H new ATOM 0 HA GLN A 38 3.017 11.403 5.734 1.00 0.39 H new ATOM 0 HB2 GLN A 38 3.086 9.485 3.384 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.841 9.364 4.612 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.399 11.837 2.941 1.00 0.74 H new ATOM 0 HG3 GLN A 38 1.136 10.667 2.614 1.00 0.74 H new ATOM 0 HE21 GLN A 38 2.230 13.262 4.726 1.00 1.84 H new ATOM 0 HE22 GLN A 38 0.693 13.510 5.560 1.00 1.84 H new ATOM 557 N LEU A 39 4.650 8.518 5.665 1.00 0.41 N ATOM 558 CA LEU A 39 5.041 7.398 6.515 1.00 0.53 C ATOM 559 C LEU A 39 6.535 7.089 6.424 1.00 0.51 C ATOM 560 O LEU A 39 7.120 6.566 7.372 1.00 0.61 O ATOM 561 CB LEU A 39 4.231 6.153 6.137 1.00 0.69 C ATOM 562 CG LEU A 39 2.756 6.409 5.802 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.583 6.704 4.316 1.00 1.09 C ATOM 564 CD2 LEU A 39 1.905 5.218 6.216 1.00 1.07 C ATOM 0 H LEU A 39 5.006 8.475 4.710 1.00 0.41 H new ATOM 0 HA LEU A 39 4.831 7.684 7.545 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.705 5.678 5.278 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.281 5.442 6.962 1.00 0.69 H new ATOM 0 HG LEU A 39 2.422 7.283 6.361 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.529 6.882 4.101 1.00 1.09 H new ATOM 0 HD12 LEU A 39 3.162 7.588 4.051 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.933 5.852 3.733 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.861 5.414 5.972 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.241 4.328 5.684 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.003 5.057 7.290 1.00 1.07 H new ATOM 576 N TYR A 40 7.152 7.411 5.290 1.00 0.46 N ATOM 577 CA TYR A 40 8.576 7.141 5.099 1.00 0.48 C ATOM 578 C TYR A 40 9.356 8.412 4.778 1.00 0.42 C ATOM 579 O TYR A 40 9.568 8.736 3.612 1.00 0.46 O ATOM 580 CB TYR A 40 8.788 6.110 3.985 1.00 0.58 C ATOM 581 CG TYR A 40 7.666 6.059 2.971 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.440 5.492 3.292 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.830 6.585 1.697 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.413 5.448 2.372 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.810 6.541 0.771 1.00 1.30 C ATOM 586 CZ TYR A 40 5.609 5.960 1.107 1.00 1.48 C ATOM 587 OH TYR A 40 4.583 5.935 0.191 1.00 1.97 O ATOM 0 H TYR A 40 6.694 7.856 4.495 1.00 0.46 H new ATOM 0 HA TYR A 40 8.954 6.739 6.039 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.721 6.336 3.468 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.903 5.124 4.434 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.288 5.079 4.278 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.773 7.037 1.427 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.461 5.015 2.641 1.00 1.38 H new ATOM 0 HE2 TYR A 40 6.953 6.961 -0.214 1.00 1.30 H new ATOM 0 HH TYR A 40 4.939 5.707 -0.693 1.00 1.97 H new ATOM 597 N PRO A 41 9.793 9.153 5.812 1.00 0.47 N ATOM 598 CA PRO A 41 10.561 10.381 5.629 1.00 0.51 C ATOM 599 C PRO A 41 12.050 10.109 5.428 1.00 0.57 C ATOM 600 O PRO A 41 12.875 11.016 5.530 1.00 0.79 O ATOM 601 CB PRO A 41 10.322 11.123 6.940 1.00 0.66 C ATOM 602 CG PRO A 41 10.174 10.042 7.957 1.00 0.75 C ATOM 603 CD PRO A 41 9.559 8.863 7.242 1.00 0.62 C ATOM 0 HA PRO A 41 10.257 10.935 4.741 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.155 11.783 7.180 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.428 11.744 6.888 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.141 9.776 8.384 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.541 10.369 8.782 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.028 7.925 7.541 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.495 8.772 7.462 1.00 0.62 H new ATOM 611 N GLU A 42 12.388 8.851 5.142 1.00 0.48 N ATOM 612 CA GLU A 42 13.780 8.468 4.926 1.00 0.55 C ATOM 613 C GLU A 42 14.077 8.274 3.441 1.00 0.57 C ATOM 614 O GLU A 42 15.113 8.719 2.947 1.00 0.71 O ATOM 615 CB GLU A 42 14.115 7.188 5.691 1.00 0.59 C ATOM 616 CG GLU A 42 13.199 6.024 5.361 1.00 0.58 C ATOM 617 CD GLU A 42 13.637 4.731 6.020 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.125 4.786 7.168 1.00 0.87 O ATOM 619 OE2 GLU A 42 13.488 3.663 5.389 1.00 0.94 O ATOM 0 H GLU A 42 11.720 8.085 5.055 1.00 0.48 H new ATOM 0 HA GLU A 42 14.404 9.280 5.301 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.144 6.903 5.472 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.061 7.390 6.761 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.184 6.264 5.679 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.170 5.885 4.280 1.00 0.58 H new ATOM 626 N VAL A 43 13.165 7.613 2.731 1.00 0.52 N ATOM 627 CA VAL A 43 13.349 7.368 1.306 1.00 0.60 C ATOM 628 C VAL A 43 12.828 8.545 0.482 1.00 0.51 C ATOM 629 O VAL A 43 11.676 8.947 0.627 1.00 0.52 O ATOM 630 CB VAL A 43 12.645 6.068 0.852 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.134 6.199 0.950 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.055 5.707 -0.568 1.00 0.99 C ATOM 0 H VAL A 43 12.298 7.241 3.118 1.00 0.52 H new ATOM 0 HA VAL A 43 14.420 7.255 1.138 1.00 0.60 H new ATOM 0 HB VAL A 43 12.958 5.266 1.521 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.666 5.270 0.624 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.853 6.404 1.983 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.798 7.017 0.313 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.550 4.790 -0.870 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.775 6.515 -1.244 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.134 5.557 -0.608 1.00 0.99 H new ATOM 642 N PRO A 44 13.674 9.123 -0.391 1.00 0.56 N ATOM 643 CA PRO A 44 13.286 10.260 -1.235 1.00 0.54 C ATOM 644 C PRO A 44 12.023 9.977 -2.045 1.00 0.54 C ATOM 645 O PRO A 44 11.667 8.818 -2.263 1.00 0.60 O ATOM 646 CB PRO A 44 14.490 10.451 -2.170 1.00 0.64 C ATOM 647 CG PRO A 44 15.296 9.205 -2.034 1.00 0.67 C ATOM 648 CD PRO A 44 15.066 8.725 -0.635 1.00 0.76 C ATOM 0 HA PRO A 44 13.053 11.142 -0.639 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.168 10.600 -3.201 1.00 0.64 H new ATOM 0 HB3 PRO A 44 15.072 11.328 -1.888 1.00 0.64 H new ATOM 0 HG2 PRO A 44 14.984 8.456 -2.761 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.353 9.401 -2.212 1.00 0.67 H new ATOM 0 HD2 PRO A 44 15.202 7.647 -0.548 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.752 9.191 0.072 1.00 0.76 H new ATOM 656 N PRO A 45 11.323 11.035 -2.500 1.00 0.56 N ATOM 657 CA PRO A 45 10.093 10.900 -3.291 1.00 0.67 C ATOM 658 C PRO A 45 10.366 10.428 -4.718 1.00 0.77 C ATOM 659 O PRO A 45 9.610 10.737 -5.639 1.00 1.08 O ATOM 660 CB PRO A 45 9.514 12.326 -3.302 1.00 0.72 C ATOM 661 CG PRO A 45 10.293 13.076 -2.274 1.00 0.63 C ATOM 662 CD PRO A 45 11.650 12.447 -2.273 1.00 0.56 C ATOM 0 HA PRO A 45 9.420 10.154 -2.868 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.617 12.785 -4.285 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.451 12.320 -3.063 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.351 14.136 -2.520 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.824 13.002 -1.293 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.289 12.851 -3.058 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.171 12.600 -1.328 1.00 0.56 H new ATOM 670 N GLU A 46 11.451 9.675 -4.896 1.00 0.65 N ATOM 671 CA GLU A 46 11.820 9.159 -6.209 1.00 0.77 C ATOM 672 C GLU A 46 12.244 7.695 -6.122 1.00 0.71 C ATOM 673 O GLU A 46 11.810 6.864 -6.920 1.00 0.81 O ATOM 674 CB GLU A 46 12.951 9.996 -6.810 1.00 0.92 C ATOM 675 CG GLU A 46 13.357 9.558 -8.208 1.00 1.61 C ATOM 676 CD GLU A 46 14.405 10.466 -8.822 1.00 2.17 C ATOM 677 OE1 GLU A 46 14.024 11.491 -9.425 1.00 2.25 O ATOM 678 OE2 GLU A 46 15.608 10.150 -8.702 1.00 3.02 O ATOM 0 H GLU A 46 12.089 9.410 -4.145 1.00 0.65 H new ATOM 0 HA GLU A 46 10.945 9.225 -6.856 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.641 11.041 -6.841 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.820 9.941 -6.154 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.743 8.539 -8.168 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.476 9.540 -8.849 1.00 1.61 H new ATOM 685 N GLU A 47 13.098 7.389 -5.148 1.00 0.63 N ATOM 686 CA GLU A 47 13.587 6.030 -4.951 1.00 0.66 C ATOM 687 C GLU A 47 12.512 5.130 -4.347 1.00 0.55 C ATOM 688 O GLU A 47 12.784 3.986 -3.985 1.00 0.59 O ATOM 689 CB GLU A 47 14.814 6.056 -4.044 1.00 0.81 C ATOM 690 CG GLU A 47 15.928 6.943 -4.572 1.00 1.25 C ATOM 691 CD GLU A 47 16.743 6.275 -5.662 1.00 1.42 C ATOM 692 OE1 GLU A 47 16.340 6.358 -6.841 1.00 1.58 O ATOM 693 OE2 GLU A 47 17.786 5.668 -5.337 1.00 1.62 O ATOM 0 H GLU A 47 13.466 8.068 -4.482 1.00 0.63 H new ATOM 0 HA GLU A 47 13.855 5.620 -5.925 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.519 6.404 -3.054 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.192 5.041 -3.925 1.00 0.81 H new ATOM 0 HG2 GLU A 47 15.498 7.866 -4.960 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.587 7.219 -3.749 1.00 1.25 H new ATOM 700 N PHE A 48 11.295 5.651 -4.229 1.00 0.48 N ATOM 701 CA PHE A 48 10.190 4.880 -3.674 1.00 0.45 C ATOM 702 C PHE A 48 9.624 3.915 -4.714 1.00 0.41 C ATOM 703 O PHE A 48 9.144 2.834 -4.374 1.00 0.45 O ATOM 704 CB PHE A 48 9.088 5.812 -3.157 1.00 0.54 C ATOM 705 CG PHE A 48 8.272 6.458 -4.241 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.803 7.484 -5.006 1.00 2.39 C ATOM 707 CD2 PHE A 48 6.975 6.041 -4.495 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.058 8.081 -6.005 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.226 6.635 -5.493 1.00 2.36 C ATOM 710 CZ PHE A 48 6.754 7.650 -6.242 1.00 3.35 C ATOM 0 H PHE A 48 11.050 6.601 -4.509 1.00 0.48 H new ATOM 0 HA PHE A 48 10.573 4.296 -2.837 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.423 5.245 -2.506 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.543 6.592 -2.546 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.812 7.821 -4.819 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.545 5.244 -3.907 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.484 8.877 -6.598 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.218 6.296 -5.682 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.162 8.117 -7.015 1.00 3.35 H new ATOM 720 N ARG A 49 9.693 4.311 -5.983 1.00 0.43 N ATOM 721 CA ARG A 49 9.182 3.486 -7.075 1.00 0.47 C ATOM 722 C ARG A 49 9.891 2.134 -7.165 1.00 0.49 C ATOM 723 O ARG A 49 9.229 1.100 -7.237 1.00 0.52 O ATOM 724 CB ARG A 49 9.298 4.221 -8.403 1.00 0.58 C ATOM 725 CG ARG A 49 8.313 5.367 -8.555 1.00 1.06 C ATOM 726 CD ARG A 49 6.887 4.864 -8.724 1.00 1.14 C ATOM 727 NE ARG A 49 5.940 5.963 -8.897 1.00 1.80 N ATOM 728 CZ ARG A 49 4.747 5.828 -9.468 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.350 4.643 -9.915 1.00 2.42 N ATOM 730 NH2 ARG A 49 3.948 6.878 -9.593 1.00 3.07 N ATOM 0 H ARG A 49 10.098 5.199 -6.280 1.00 0.43 H new ATOM 0 HA ARG A 49 8.131 3.293 -6.858 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.311 4.609 -8.506 1.00 0.58 H new ATOM 0 HB3 ARG A 49 9.144 3.511 -9.216 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.369 6.014 -7.680 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.590 5.973 -9.418 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.836 4.201 -9.588 1.00 1.14 H new ATOM 0 HD3 ARG A 49 6.604 4.274 -7.852 1.00 1.14 H new ATOM 0 HE ARG A 49 6.210 6.887 -8.560 1.00 1.80 H new ATOM 0 HH11 ARG A 49 4.961 3.832 -9.821 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.434 4.544 -10.352 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.248 7.791 -9.251 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.033 6.773 -10.031 1.00 3.07 H new ATOM 744 N PRO A 50 11.243 2.101 -7.185 1.00 0.52 N ATOM 745 CA PRO A 50 11.981 0.840 -7.259 1.00 0.59 C ATOM 746 C PRO A 50 11.586 -0.095 -6.131 1.00 0.58 C ATOM 747 O PRO A 50 11.599 -1.316 -6.288 1.00 0.68 O ATOM 748 CB PRO A 50 13.454 1.251 -7.140 1.00 0.63 C ATOM 749 CG PRO A 50 13.432 2.654 -6.635 1.00 0.58 C ATOM 750 CD PRO A 50 12.152 3.258 -7.138 1.00 0.54 C ATOM 0 HA PRO A 50 11.774 0.297 -8.181 1.00 0.59 H new ATOM 0 HB2 PRO A 50 13.991 0.595 -6.455 1.00 0.63 H new ATOM 0 HB3 PRO A 50 13.959 1.188 -8.104 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.472 2.677 -5.546 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.295 3.212 -6.998 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.782 4.036 -6.471 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.278 3.714 -8.120 1.00 0.54 H new ATOM 758 N PHE A 51 11.233 0.484 -4.988 1.00 0.49 N ATOM 759 CA PHE A 51 10.805 -0.305 -3.849 1.00 0.51 C ATOM 760 C PHE A 51 9.371 -0.766 -4.065 1.00 0.45 C ATOM 761 O PHE A 51 8.935 -1.762 -3.492 1.00 0.52 O ATOM 762 CB PHE A 51 10.914 0.499 -2.555 1.00 0.60 C ATOM 763 CG PHE A 51 11.486 -0.292 -1.412 1.00 0.99 C ATOM 764 CD1 PHE A 51 10.785 -1.358 -0.866 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.729 0.025 -0.889 1.00 1.44 C ATOM 766 CE1 PHE A 51 11.315 -2.088 0.180 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.263 -0.702 0.158 1.00 2.02 C ATOM 768 CZ PHE A 51 12.555 -1.761 0.693 1.00 2.20 C ATOM 0 H PHE A 51 11.236 1.492 -4.831 1.00 0.49 H new ATOM 0 HA PHE A 51 11.457 -1.174 -3.758 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.539 1.375 -2.731 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.925 0.863 -2.277 1.00 0.60 H new ATOM 0 HD1 PHE A 51 9.815 -1.619 -1.263 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.288 0.851 -1.305 1.00 1.44 H new ATOM 0 HE1 PHE A 51 10.759 -2.915 0.597 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.232 -0.443 0.557 1.00 2.02 H new ATOM 0 HZ PHE A 51 12.970 -2.332 1.510 1.00 2.20 H new ATOM 778 N LEU A 52 8.642 -0.029 -4.904 1.00 0.40 N ATOM 779 CA LEU A 52 7.262 -0.369 -5.211 1.00 0.43 C ATOM 780 C LEU A 52 7.203 -1.506 -6.221 1.00 0.44 C ATOM 781 O LEU A 52 6.149 -2.086 -6.440 1.00 0.50 O ATOM 782 CB LEU A 52 6.509 0.840 -5.770 1.00 0.55 C ATOM 783 CG LEU A 52 6.162 1.934 -4.764 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.428 3.067 -5.461 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.320 1.372 -3.632 1.00 1.15 C ATOM 0 H LEU A 52 8.988 0.804 -5.380 1.00 0.40 H new ATOM 0 HA LEU A 52 6.787 -0.684 -4.282 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.110 1.282 -6.565 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.584 0.488 -6.228 1.00 0.55 H new ATOM 0 HG LEU A 52 7.087 2.323 -4.339 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.184 3.843 -4.736 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.063 3.486 -6.241 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.509 2.686 -5.907 1.00 1.33 H new ATOM 0 HD21 LEU A 52 5.083 2.167 -2.925 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.396 0.959 -4.036 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.876 0.586 -3.121 1.00 1.15 H new ATOM 797 N ALA A 53 8.338 -1.822 -6.838 1.00 0.48 N ATOM 798 CA ALA A 53 8.385 -2.895 -7.825 1.00 0.59 C ATOM 799 C ALA A 53 7.714 -4.155 -7.292 1.00 0.60 C ATOM 800 O ALA A 53 7.250 -5.000 -8.057 1.00 0.76 O ATOM 801 CB ALA A 53 9.823 -3.188 -8.229 1.00 0.67 C ATOM 0 H ALA A 53 9.230 -1.355 -6.674 1.00 0.48 H new ATOM 0 HA ALA A 53 7.837 -2.566 -8.708 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.837 -3.991 -8.966 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.270 -2.292 -8.660 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.393 -3.491 -7.351 1.00 0.67 H new ATOM 807 N LYS A 54 7.670 -4.267 -5.970 1.00 0.51 N ATOM 808 CA LYS A 54 7.044 -5.407 -5.313 1.00 0.55 C ATOM 809 C LYS A 54 5.894 -4.945 -4.419 1.00 0.48 C ATOM 810 O LYS A 54 5.173 -5.761 -3.843 1.00 0.57 O ATOM 811 CB LYS A 54 8.077 -6.172 -4.485 1.00 0.62 C ATOM 812 CG LYS A 54 9.153 -6.843 -5.325 1.00 0.76 C ATOM 813 CD LYS A 54 10.117 -7.649 -4.467 1.00 0.94 C ATOM 814 CE LYS A 54 10.955 -6.752 -3.567 1.00 1.21 C ATOM 815 NZ LYS A 54 11.752 -5.770 -4.350 1.00 1.84 N ATOM 0 H LYS A 54 8.063 -3.578 -5.329 1.00 0.51 H new ATOM 0 HA LYS A 54 6.644 -6.070 -6.080 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.551 -5.484 -3.784 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.566 -6.930 -3.891 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.685 -7.498 -6.060 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.706 -6.085 -5.880 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.556 -8.356 -3.856 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.774 -8.235 -5.110 1.00 0.94 H new ATOM 0 HE2 LYS A 54 10.302 -6.220 -2.875 1.00 1.21 H new ATOM 0 HE3 LYS A 54 11.625 -7.366 -2.965 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.498 -5.369 -3.747 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.185 -6.247 -5.166 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.130 -5.007 -4.685 1.00 1.84 H new ATOM 829 N MET A 55 5.732 -3.628 -4.315 1.00 0.38 N ATOM 830 CA MET A 55 4.681 -3.035 -3.491 1.00 0.34 C ATOM 831 C MET A 55 3.759 -2.138 -4.324 1.00 0.33 C ATOM 832 O MET A 55 2.998 -1.343 -3.771 1.00 0.35 O ATOM 833 CB MET A 55 5.311 -2.211 -2.359 1.00 0.33 C ATOM 834 CG MET A 55 6.069 -3.037 -1.324 1.00 0.42 C ATOM 835 SD MET A 55 7.560 -3.806 -1.985 1.00 1.95 S ATOM 836 CE MET A 55 8.163 -4.679 -0.542 1.00 2.78 C ATOM 0 H MET A 55 6.320 -2.947 -4.795 1.00 0.38 H new ATOM 0 HA MET A 55 4.084 -3.845 -3.072 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.994 -1.481 -2.794 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.525 -1.650 -1.853 1.00 0.33 H new ATOM 0 HG2 MET A 55 6.340 -2.397 -0.485 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.410 -3.813 -0.934 1.00 0.42 H new ATOM 0 HE1 MET A 55 8.807 -5.501 -0.856 1.00 2.78 H new ATOM 0 HE2 MET A 55 8.731 -3.993 0.087 1.00 2.78 H new ATOM 0 HE3 MET A 55 7.319 -5.075 0.023 1.00 2.78 H new ATOM 846 N ARG A 56 3.820 -2.270 -5.651 1.00 0.37 N ATOM 847 CA ARG A 56 2.987 -1.456 -6.539 1.00 0.42 C ATOM 848 C ARG A 56 1.748 -2.222 -6.989 1.00 0.41 C ATOM 849 O ARG A 56 0.700 -1.626 -7.241 1.00 0.43 O ATOM 850 CB ARG A 56 3.784 -0.982 -7.767 1.00 0.54 C ATOM 851 CG ARG A 56 3.778 -1.957 -8.942 1.00 1.09 C ATOM 852 CD ARG A 56 4.719 -3.129 -8.714 1.00 1.35 C ATOM 853 NE ARG A 56 4.588 -4.147 -9.754 1.00 1.81 N ATOM 854 CZ ARG A 56 5.540 -4.423 -10.642 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.689 -3.762 -10.618 1.00 2.58 N ATOM 856 NH2 ARG A 56 5.342 -5.364 -11.556 1.00 3.05 N ATOM 0 H ARG A 56 4.433 -2.928 -6.132 1.00 0.37 H new ATOM 0 HA ARG A 56 2.668 -0.582 -5.972 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.378 -0.027 -8.102 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.816 -0.801 -7.467 1.00 0.54 H new ATOM 0 HG2 ARG A 56 2.766 -2.330 -9.099 1.00 1.09 H new ATOM 0 HG3 ARG A 56 4.068 -1.431 -9.851 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.747 -2.768 -8.687 1.00 1.35 H new ATOM 0 HD3 ARG A 56 4.513 -3.576 -7.741 1.00 1.35 H new ATOM 0 HE ARG A 56 3.717 -4.676 -9.802 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.846 -3.038 -9.917 1.00 2.58 H new ATOM 0 HH12 ARG A 56 7.416 -3.977 -11.301 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.460 -5.876 -11.578 1.00 3.05 H new ATOM 0 HH22 ARG A 56 6.072 -5.575 -12.237 1.00 3.05 H new ATOM 870 N GLY A 57 1.878 -3.541 -7.096 1.00 0.43 N ATOM 871 CA GLY A 57 0.760 -4.367 -7.517 1.00 0.45 C ATOM 872 C GLY A 57 -0.479 -4.122 -6.681 1.00 0.39 C ATOM 873 O GLY A 57 -1.587 -4.482 -7.075 1.00 0.48 O ATOM 0 H GLY A 57 2.738 -4.053 -6.899 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.535 -4.165 -8.564 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.041 -5.418 -7.448 1.00 0.45 H new ATOM 877 N ILE A 58 -0.287 -3.506 -5.524 1.00 0.41 N ATOM 878 CA ILE A 58 -1.386 -3.208 -4.625 1.00 0.39 C ATOM 879 C ILE A 58 -1.964 -1.823 -4.902 1.00 0.40 C ATOM 880 O ILE A 58 -3.176 -1.627 -4.865 1.00 0.47 O ATOM 881 CB ILE A 58 -0.929 -3.278 -3.161 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.089 -4.530 -2.933 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.127 -3.263 -2.232 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.401 -4.265 -2.932 1.00 0.71 C ATOM 0 H ILE A 58 0.626 -3.202 -5.186 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.158 -3.957 -4.799 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.316 -2.404 -2.943 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.371 -4.979 -1.980 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.320 -5.259 -3.710 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.786 -3.313 -1.198 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.693 -2.344 -2.383 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.764 -4.121 -2.446 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.937 -5.199 -2.765 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.696 -3.845 -3.893 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.645 -3.560 -2.137 1.00 0.71 H new ATOM 896 N LEU A 59 -1.085 -0.867 -5.191 1.00 0.44 N ATOM 897 CA LEU A 59 -1.503 0.505 -5.466 1.00 0.49 C ATOM 898 C LEU A 59 -2.482 0.563 -6.638 1.00 0.52 C ATOM 899 O LEU A 59 -3.611 1.024 -6.485 1.00 0.56 O ATOM 900 CB LEU A 59 -0.274 1.391 -5.737 1.00 0.58 C ATOM 901 CG LEU A 59 -0.557 2.853 -6.124 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.814 2.978 -7.619 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.733 3.416 -5.332 1.00 1.71 C ATOM 0 H LEU A 59 -0.077 -1.017 -5.241 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.021 0.885 -4.586 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.352 1.389 -4.845 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.308 0.932 -6.536 1.00 0.58 H new ATOM 0 HG LEU A 59 0.329 3.438 -5.876 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.012 4.021 -7.868 1.00 1.39 H new ATOM 0 HD12 LEU A 59 0.062 2.633 -8.169 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.676 2.370 -7.892 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.909 4.450 -5.627 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.625 2.824 -5.535 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.506 3.376 -4.267 1.00 1.71 H new ATOM 915 N LYS A 60 -2.049 0.099 -7.807 1.00 0.59 N ATOM 916 CA LYS A 60 -2.905 0.116 -8.991 1.00 0.68 C ATOM 917 C LYS A 60 -4.131 -0.776 -8.795 1.00 0.65 C ATOM 918 O LYS A 60 -5.110 -0.672 -9.534 1.00 0.74 O ATOM 919 CB LYS A 60 -2.117 -0.305 -10.241 1.00 0.80 C ATOM 920 CG LYS A 60 -2.263 -1.773 -10.623 1.00 0.92 C ATOM 921 CD LYS A 60 -1.587 -2.691 -9.620 1.00 1.07 C ATOM 922 CE LYS A 60 -1.705 -4.149 -10.038 1.00 1.10 C ATOM 923 NZ LYS A 60 -1.091 -4.397 -11.372 1.00 1.60 N ATOM 0 H LYS A 60 -1.119 -0.290 -7.960 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.254 1.138 -9.138 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.441 0.309 -11.082 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.061 -0.090 -10.077 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.321 -2.027 -10.691 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.832 -1.935 -11.611 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.535 -2.421 -9.528 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.038 -2.555 -8.637 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.221 -4.780 -9.293 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.756 -4.435 -10.064 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.978 -5.421 -11.517 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.706 -4.008 -12.115 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.160 -3.936 -11.417 1.00 1.60 H new ATOM 937 N SER A 61 -4.065 -1.654 -7.802 1.00 0.55 N ATOM 938 CA SER A 61 -5.164 -2.570 -7.515 1.00 0.55 C ATOM 939 C SER A 61 -6.294 -1.873 -6.758 1.00 0.57 C ATOM 940 O SER A 61 -7.464 -2.002 -7.116 1.00 0.71 O ATOM 941 CB SER A 61 -4.656 -3.761 -6.701 1.00 0.51 C ATOM 942 OG SER A 61 -5.668 -4.740 -6.542 1.00 1.20 O ATOM 0 H SER A 61 -3.262 -1.752 -7.181 1.00 0.55 H new ATOM 0 HA SER A 61 -5.561 -2.920 -8.468 1.00 0.55 H new ATOM 0 HB2 SER A 61 -3.793 -4.203 -7.198 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.319 -3.419 -5.722 1.00 0.51 H new ATOM 0 HG SER A 61 -5.278 -5.555 -6.162 1.00 1.20 H new ATOM 948 N ILE A 62 -5.938 -1.143 -5.707 1.00 0.50 N ATOM 949 CA ILE A 62 -6.926 -0.440 -4.892 1.00 0.56 C ATOM 950 C ILE A 62 -7.305 0.917 -5.492 1.00 0.64 C ATOM 951 O ILE A 62 -8.480 1.280 -5.530 1.00 0.70 O ATOM 952 CB ILE A 62 -6.410 -0.230 -3.448 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.428 -1.549 -2.670 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.243 0.818 -2.721 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.347 -2.521 -3.090 1.00 0.79 C ATOM 0 H ILE A 62 -4.973 -1.022 -5.398 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.815 -1.071 -4.873 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.382 0.126 -3.508 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.318 -1.334 -1.607 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -7.401 -2.023 -2.800 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.861 0.948 -1.708 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.183 1.766 -3.256 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.282 0.491 -2.678 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.424 -3.431 -2.495 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -5.468 -2.767 -4.145 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -4.369 -2.067 -2.933 1.00 0.79 H new ATOM 967 N ALA A 63 -6.308 1.665 -5.944 1.00 0.68 N ATOM 968 CA ALA A 63 -6.539 2.990 -6.511 1.00 0.79 C ATOM 969 C ALA A 63 -6.928 2.951 -7.991 1.00 0.84 C ATOM 970 O ALA A 63 -8.023 3.373 -8.365 1.00 0.90 O ATOM 971 CB ALA A 63 -5.304 3.856 -6.320 1.00 0.88 C ATOM 0 H ALA A 63 -5.329 1.378 -5.930 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.386 3.420 -5.976 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.483 4.844 -6.745 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.088 3.953 -5.256 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.454 3.393 -6.822 1.00 0.88 H new ATOM 977 N SER A 64 -6.026 2.444 -8.826 1.00 0.88 N ATOM 978 CA SER A 64 -6.253 2.393 -10.271 1.00 1.00 C ATOM 979 C SER A 64 -7.319 1.374 -10.678 1.00 0.96 C ATOM 980 O SER A 64 -7.845 1.444 -11.789 1.00 1.11 O ATOM 981 CB SER A 64 -4.942 2.082 -10.994 1.00 1.13 C ATOM 982 OG SER A 64 -5.121 2.073 -12.400 1.00 1.56 O ATOM 0 H SER A 64 -5.129 2.061 -8.528 1.00 0.88 H new ATOM 0 HA SER A 64 -6.624 3.375 -10.563 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.191 2.825 -10.725 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.564 1.113 -10.667 1.00 1.13 H new ATOM 0 HG SER A 64 -4.267 1.873 -12.837 1.00 1.56 H new ATOM 988 N ALA A 65 -7.640 0.431 -9.797 1.00 0.84 N ATOM 989 CA ALA A 65 -8.641 -0.584 -10.122 1.00 0.84 C ATOM 990 C ALA A 65 -9.801 -0.594 -9.128 1.00 0.75 C ATOM 991 O ALA A 65 -10.954 -0.787 -9.517 1.00 0.82 O ATOM 992 CB ALA A 65 -7.992 -1.957 -10.194 1.00 0.83 C ATOM 0 H ALA A 65 -7.230 0.347 -8.867 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.057 -0.330 -11.097 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.748 -2.704 -10.437 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.222 -1.956 -10.966 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.540 -2.197 -9.231 1.00 0.83 H new ATOM 998 N ASP A 66 -9.496 -0.386 -7.850 1.00 0.65 N ATOM 999 CA ASP A 66 -10.518 -0.380 -6.805 1.00 0.65 C ATOM 1000 C ASP A 66 -11.250 -1.716 -6.754 1.00 0.66 C ATOM 1001 O ASP A 66 -12.185 -1.957 -7.519 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.518 0.757 -7.034 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.599 0.797 -5.972 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.346 1.364 -4.889 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.699 0.261 -6.224 1.00 1.53 O ATOM 0 H ASP A 66 -8.548 -0.219 -7.512 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.019 -0.221 -5.849 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.986 1.709 -7.044 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -11.980 0.640 -8.014 1.00 0.75 H new ATOM 1010 N MET A 67 -10.815 -2.584 -5.846 1.00 0.55 N ATOM 1011 CA MET A 67 -11.419 -3.902 -5.692 1.00 0.55 C ATOM 1012 C MET A 67 -12.247 -3.984 -4.413 1.00 0.65 C ATOM 1013 O MET A 67 -12.514 -2.971 -3.766 1.00 0.81 O ATOM 1014 CB MET A 67 -10.333 -4.977 -5.678 1.00 0.49 C ATOM 1015 CG MET A 67 -9.470 -4.985 -6.929 1.00 0.49 C ATOM 1016 SD MET A 67 -10.365 -5.558 -8.385 1.00 1.00 S ATOM 1017 CE MET A 67 -9.085 -5.460 -9.634 1.00 1.52 C ATOM 0 H MET A 67 -10.044 -2.397 -5.204 1.00 0.55 H new ATOM 0 HA MET A 67 -12.084 -4.070 -6.539 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.695 -4.826 -4.807 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.802 -5.954 -5.564 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.092 -3.979 -7.112 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.604 -5.626 -6.764 1.00 0.49 H new ATOM 0 HE1 MET A 67 -9.527 -5.167 -10.586 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.342 -4.720 -9.336 1.00 1.52 H new ATOM 0 HE3 MET A 67 -8.606 -6.433 -9.741 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.649 -5.200 -4.057 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.448 -5.425 -2.858 1.00 0.77 C ATOM 1029 C ASP A 68 -12.602 -6.054 -1.753 1.00 0.67 C ATOM 1030 O ASP A 68 -11.373 -6.024 -1.807 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.642 -6.325 -3.182 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.457 -5.803 -4.351 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -16.400 -5.020 -4.114 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -15.151 -6.178 -5.502 1.00 1.92 O ATOM 0 H ASP A 68 -12.434 -6.047 -4.584 1.00 0.64 H new ATOM 0 HA ASP A 68 -13.814 -4.461 -2.504 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.285 -7.329 -3.410 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.282 -6.406 -2.303 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.268 -6.620 -0.752 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.577 -7.252 0.366 1.00 0.83 C ATOM 1041 C PHE A 69 -12.213 -8.699 0.045 1.00 0.99 C ATOM 1042 O PHE A 69 -11.119 -9.159 0.375 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.430 -7.190 1.638 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.906 -7.350 1.400 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.685 -6.262 1.047 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -15.513 -8.591 1.523 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -17.041 -6.405 0.822 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -16.868 -8.741 1.300 1.00 2.52 C ATOM 1049 CZ PHE A 69 -17.637 -7.646 0.971 1.00 3.05 C ATOM 0 H PHE A 69 -14.286 -6.654 -0.692 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.654 -6.699 0.538 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.097 -7.970 2.323 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.255 -6.235 2.133 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.227 -5.289 0.946 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -14.919 -9.451 1.796 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.634 -5.551 0.531 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.324 -9.716 1.383 1.00 2.52 H new ATOM 0 HZ PHE A 69 -18.702 -7.755 0.830 1.00 3.05 H new ATOM 1059 N ASN A 70 -13.132 -9.413 -0.597 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.896 -10.807 -0.962 1.00 0.89 C ATOM 1061 C ASN A 70 -12.227 -10.908 -2.330 1.00 0.83 C ATOM 1062 O ASN A 70 -12.251 -11.963 -2.965 1.00 1.09 O ATOM 1063 CB ASN A 70 -14.213 -11.589 -0.972 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.585 -12.129 0.396 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -14.060 -13.301 0.733 1.00 2.50 O flip ATOM 1066 ND2 ASN A 70 -15.337 -11.502 1.141 1.00 2.40 N flip ATOM 0 H ASN A 70 -14.044 -9.052 -0.875 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.229 -11.239 -0.216 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -15.012 -10.941 -1.332 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.133 -12.418 -1.676 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -15.719 -10.604 0.843 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -15.579 -11.880 2.057 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.624 -9.809 -2.774 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.950 -9.777 -4.069 1.00 0.68 C ATOM 1075 C GLN A 71 -9.439 -9.658 -3.900 1.00 0.58 C ATOM 1076 O GLN A 71 -8.676 -10.376 -4.547 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.472 -8.609 -4.909 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.952 -8.711 -5.246 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.277 -9.919 -6.103 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.444 -10.388 -6.878 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.497 -10.427 -5.968 1.00 1.90 N ATOM 0 H GLN A 71 -11.588 -8.930 -2.258 1.00 0.69 H new ATOM 0 HA GLN A 71 -11.165 -10.714 -4.582 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.294 -7.678 -4.371 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.900 -8.555 -5.836 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.528 -8.761 -4.322 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.264 -7.806 -5.768 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -15.155 -10.005 -5.313 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.775 -11.239 -6.519 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.013 -8.750 -3.028 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.592 -8.533 -2.777 1.00 0.39 C ATOM 1092 C LEU A 72 -7.009 -9.641 -1.906 1.00 0.41 C ATOM 1093 O LEU A 72 -5.810 -9.917 -1.960 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.368 -7.184 -2.092 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.946 -5.970 -2.810 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.729 -4.724 -1.967 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.313 -5.808 -4.184 1.00 1.06 C ATOM 0 H LEU A 72 -9.633 -8.151 -2.482 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.085 -8.541 -3.742 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.799 -7.230 -1.092 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.295 -7.034 -1.970 1.00 0.40 H new ATOM 0 HG LEU A 72 -9.017 -6.118 -2.950 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -8.144 -3.858 -2.484 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.226 -4.845 -1.005 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.661 -4.574 -1.807 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.739 -4.936 -4.680 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -6.237 -5.674 -4.075 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.509 -6.698 -4.782 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.860 -10.263 -1.098 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.431 -11.333 -0.201 1.00 0.57 C ATOM 1111 C GLU A 73 -6.619 -12.391 -0.947 1.00 0.59 C ATOM 1112 O GLU A 73 -5.626 -12.901 -0.430 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.647 -11.979 0.470 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.286 -13.038 1.500 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.507 -13.628 2.179 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -10.082 -14.593 1.632 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -9.889 -13.126 3.257 1.00 1.76 O ATOM 0 H GLU A 73 -8.855 -10.045 -1.045 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.791 -10.894 0.564 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.240 -11.202 0.953 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.277 -12.430 -0.297 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.723 -13.835 1.015 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.632 -12.599 2.253 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.050 -12.715 -2.163 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.364 -13.714 -2.976 1.00 0.70 C ATOM 1126 C ALA A 74 -5.180 -13.111 -3.732 1.00 0.57 C ATOM 1127 O ALA A 74 -4.297 -13.832 -4.195 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.338 -14.355 -3.951 1.00 0.89 C ATOM 0 H ALA A 74 -7.870 -12.301 -2.606 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.973 -14.478 -2.303 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.815 -15.099 -4.552 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.143 -14.838 -3.397 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.756 -13.589 -4.604 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.170 -11.787 -3.852 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.102 -11.090 -4.564 1.00 0.46 C ATOM 1136 C PHE A 75 -2.820 -11.027 -3.741 1.00 0.38 C ATOM 1137 O PHE A 75 -1.726 -11.231 -4.269 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.549 -9.677 -4.937 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.504 -8.896 -5.684 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -3.381 -9.017 -7.059 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.643 -8.046 -5.009 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -2.419 -8.303 -7.748 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.678 -7.330 -5.692 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.566 -7.459 -7.063 1.00 0.91 C ATOM 0 H PHE A 75 -5.889 -11.175 -3.466 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.890 -11.656 -5.471 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.450 -9.739 -5.547 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.815 -9.137 -4.028 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -4.044 -9.677 -7.598 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.727 -7.942 -3.937 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -2.334 -8.405 -8.820 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -1.012 -6.671 -5.155 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.813 -6.901 -7.599 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.952 -10.741 -2.451 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.793 -10.640 -1.572 1.00 0.36 C ATOM 1156 C LEU A 76 -1.030 -11.959 -1.515 1.00 0.40 C ATOM 1157 O LEU A 76 0.197 -11.973 -1.412 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.230 -10.220 -0.165 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.230 -9.348 0.607 1.00 0.55 C ATOM 1160 CD1 LEU A 76 0.013 -10.137 0.981 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -0.849 -8.119 -0.205 1.00 0.80 C ATOM 0 H LEU A 76 -3.847 -10.575 -1.991 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.126 -9.880 -1.978 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.173 -9.678 -0.243 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.427 -11.119 0.419 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.716 -9.022 1.527 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.702 -9.493 1.527 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.268 -10.982 1.609 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.498 -10.503 0.076 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.140 -7.515 0.361 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.392 -8.431 -1.144 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.742 -7.530 -0.414 1.00 0.80 H new ATOM 1173 N THR A 77 -1.757 -13.069 -1.592 1.00 0.41 N ATOM 1174 CA THR A 77 -1.135 -14.384 -1.552 1.00 0.49 C ATOM 1175 C THR A 77 -0.228 -14.577 -2.760 1.00 0.47 C ATOM 1176 O THR A 77 0.705 -15.379 -2.728 1.00 0.53 O ATOM 1177 CB THR A 77 -2.191 -15.507 -1.524 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.201 -15.205 -0.556 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.550 -16.846 -1.186 1.00 0.71 C ATOM 0 H THR A 77 -2.773 -13.083 -1.682 1.00 0.41 H new ATOM 0 HA THR A 77 -0.546 -14.439 -0.637 1.00 0.49 H new ATOM 0 HB THR A 77 -2.641 -15.574 -2.514 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.869 -15.922 -0.545 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.315 -17.622 -1.172 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.799 -17.090 -1.937 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.077 -16.786 -0.206 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.504 -13.821 -3.821 1.00 0.45 N ATOM 1188 CA ALA A 78 0.277 -13.899 -5.048 1.00 0.52 C ATOM 1189 C ALA A 78 1.631 -13.219 -4.883 1.00 0.53 C ATOM 1190 O ALA A 78 2.586 -13.542 -5.590 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.492 -13.274 -6.204 1.00 0.60 C ATOM 0 H ALA A 78 -1.267 -13.145 -3.852 1.00 0.45 H new ATOM 0 HA ALA A 78 0.454 -14.952 -5.269 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.103 -13.339 -7.115 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.432 -13.807 -6.346 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.699 -12.228 -5.980 1.00 0.60 H new ATOM 1197 N GLN A 79 1.705 -12.277 -3.950 1.00 0.47 N ATOM 1198 CA GLN A 79 2.944 -11.554 -3.696 1.00 0.53 C ATOM 1199 C GLN A 79 3.875 -12.371 -2.809 1.00 0.54 C ATOM 1200 O GLN A 79 5.047 -12.033 -2.645 1.00 1.06 O ATOM 1201 CB GLN A 79 2.655 -10.207 -3.033 1.00 0.56 C ATOM 1202 CG GLN A 79 1.607 -9.380 -3.759 1.00 0.96 C ATOM 1203 CD GLN A 79 1.641 -7.919 -3.354 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.308 -7.036 -4.144 1.00 2.20 O ATOM 1205 NE2 GLN A 79 2.046 -7.655 -2.114 1.00 0.61 N ATOM 0 H GLN A 79 0.923 -11.997 -3.358 1.00 0.47 H new ATOM 0 HA GLN A 79 3.432 -11.381 -4.655 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.323 -10.380 -2.009 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.581 -9.634 -2.976 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.766 -9.460 -4.834 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.618 -9.789 -3.552 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.313 -8.418 -1.492 1.00 0.61 H new ATOM 0 HE22 GLN A 79 2.089 -6.690 -1.786 1.00 0.61 H new ATOM 1214 N THR A 80 3.345 -13.446 -2.238 1.00 0.63 N ATOM 1215 CA THR A 80 4.129 -14.306 -1.362 1.00 0.65 C ATOM 1216 C THR A 80 4.479 -15.618 -2.057 1.00 0.64 C ATOM 1217 O THR A 80 5.110 -16.497 -1.468 1.00 0.73 O ATOM 1218 CB THR A 80 3.373 -14.613 -0.056 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.179 -15.353 -0.341 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.011 -13.326 0.672 1.00 0.44 C ATOM 0 H THR A 80 2.377 -13.742 -2.366 1.00 0.63 H new ATOM 0 HA THR A 80 5.046 -13.768 -1.122 1.00 0.65 H new ATOM 0 HB THR A 80 4.025 -15.207 0.584 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.967 -15.278 -1.295 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.478 -13.566 1.592 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.921 -12.776 0.913 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.375 -12.713 0.033 1.00 0.44 H new ATOM 1228 N LYS A 81 4.064 -15.741 -3.314 1.00 0.68 N ATOM 1229 CA LYS A 81 4.333 -16.939 -4.100 1.00 0.71 C ATOM 1230 C LYS A 81 5.065 -16.587 -5.390 1.00 0.69 C ATOM 1231 O LYS A 81 5.447 -17.467 -6.161 1.00 0.81 O ATOM 1232 CB LYS A 81 3.027 -17.670 -4.419 1.00 0.76 C ATOM 1233 CG LYS A 81 2.005 -16.805 -5.132 1.00 1.54 C ATOM 1234 CD LYS A 81 0.702 -17.552 -5.400 1.00 1.55 C ATOM 1235 CE LYS A 81 0.085 -18.108 -4.125 1.00 2.12 C ATOM 1236 NZ LYS A 81 0.614 -19.459 -3.787 1.00 3.02 N ATOM 0 H LYS A 81 3.538 -15.022 -3.811 1.00 0.68 H new ATOM 0 HA LYS A 81 4.971 -17.597 -3.510 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.249 -18.540 -5.037 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.592 -18.041 -3.491 1.00 0.76 H new ATOM 0 HG2 LYS A 81 1.797 -15.921 -4.530 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.423 -16.457 -6.077 1.00 1.54 H new ATOM 0 HD2 LYS A 81 -0.008 -16.879 -5.882 1.00 1.55 H new ATOM 0 HD3 LYS A 81 0.890 -18.369 -6.097 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.284 -17.425 -3.299 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.998 -18.162 -4.241 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.157 -20.155 -3.833 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.357 -19.721 -4.466 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 1.012 -19.446 -2.826 1.00 3.02 H new ATOM 1250 N LYS A 82 5.259 -15.290 -5.618 1.00 0.66 N ATOM 1251 CA LYS A 82 5.947 -14.816 -6.813 1.00 0.74 C ATOM 1252 C LYS A 82 7.457 -14.925 -6.647 1.00 0.78 C ATOM 1253 O LYS A 82 7.946 -15.425 -5.634 1.00 0.83 O ATOM 1254 CB LYS A 82 5.577 -13.359 -7.103 1.00 0.72 C ATOM 1255 CG LYS A 82 5.942 -12.406 -5.980 1.00 0.67 C ATOM 1256 CD LYS A 82 6.011 -10.965 -6.465 1.00 0.77 C ATOM 1257 CE LYS A 82 4.637 -10.418 -6.809 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.718 -9.062 -7.419 1.00 1.09 N ATOM 0 H LYS A 82 4.949 -14.549 -4.989 1.00 0.66 H new ATOM 0 HA LYS A 82 5.633 -15.443 -7.648 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.079 -13.040 -8.017 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.505 -13.295 -7.289 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.205 -12.486 -5.181 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.904 -12.694 -5.557 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.467 -10.344 -5.694 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.655 -10.908 -7.343 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.138 -11.098 -7.499 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.027 -10.375 -5.907 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.760 -8.723 -7.640 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.172 -8.407 -6.750 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.279 -9.108 -8.294 1.00 1.09 H new ATOM 1272 N GLN A 83 8.190 -14.452 -7.650 1.00 0.87 N ATOM 1273 CA GLN A 83 9.645 -14.479 -7.610 1.00 0.96 C ATOM 1274 C GLN A 83 10.155 -13.516 -6.545 1.00 0.80 C ATOM 1275 O GLN A 83 10.329 -12.324 -6.803 1.00 0.80 O ATOM 1276 CB GLN A 83 10.220 -14.106 -8.977 1.00 1.22 C ATOM 1277 CG GLN A 83 9.638 -14.918 -10.121 1.00 1.37 C ATOM 1278 CD GLN A 83 10.261 -14.571 -11.459 1.00 1.96 C ATOM 1279 OE1 GLN A 83 9.777 -13.695 -12.175 1.00 2.49 O ATOM 1280 NE2 GLN A 83 11.344 -15.258 -11.803 1.00 2.57 N ATOM 0 H GLN A 83 7.799 -14.046 -8.500 1.00 0.87 H new ATOM 0 HA GLN A 83 9.971 -15.488 -7.359 1.00 0.96 H new ATOM 0 HB2 GLN A 83 10.037 -13.048 -9.163 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.301 -14.244 -8.957 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.785 -15.979 -9.920 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.562 -14.749 -10.171 1.00 1.37 H new ATOM 0 HE21 GLN A 83 11.712 -15.976 -11.179 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.808 -15.068 -12.691 1.00 2.57 H new ATOM 1289 N GLY A 84 10.384 -14.038 -5.345 1.00 0.98 N ATOM 1290 CA GLY A 84 10.849 -13.206 -4.251 1.00 1.14 C ATOM 1291 C GLY A 84 9.694 -12.555 -3.514 1.00 1.22 C ATOM 1292 O GLY A 84 9.420 -12.886 -2.361 1.00 2.05 O ATOM 0 H GLY A 84 10.256 -15.022 -5.110 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.431 -13.811 -3.555 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.516 -12.435 -4.637 1.00 1.14 H new ATOM 1296 N GLY A 85 9.017 -11.628 -4.191 1.00 0.69 N ATOM 1297 CA GLY A 85 7.884 -10.946 -3.597 1.00 0.69 C ATOM 1298 C GLY A 85 8.193 -10.367 -2.235 1.00 0.66 C ATOM 1299 O GLY A 85 9.309 -9.913 -1.980 1.00 0.91 O ATOM 0 H GLY A 85 9.237 -11.338 -5.144 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.559 -10.145 -4.261 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.052 -11.644 -3.509 1.00 0.69 H new ATOM 1303 N ILE A 86 7.196 -10.385 -1.361 1.00 0.49 N ATOM 1304 CA ILE A 86 7.353 -9.858 -0.013 1.00 0.48 C ATOM 1305 C ILE A 86 7.436 -10.983 1.015 1.00 0.50 C ATOM 1306 O ILE A 86 7.137 -12.139 0.710 1.00 0.53 O ATOM 1307 CB ILE A 86 6.191 -8.914 0.346 1.00 0.45 C ATOM 1308 CG1 ILE A 86 4.877 -9.695 0.446 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.083 -7.812 -0.700 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.702 -8.852 0.895 1.00 0.45 C ATOM 0 H ILE A 86 6.269 -10.759 -1.562 1.00 0.49 H new ATOM 0 HA ILE A 86 8.287 -9.296 0.009 1.00 0.48 H new ATOM 0 HB ILE A 86 6.389 -8.460 1.317 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.649 -10.132 -0.526 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.008 -10.522 1.144 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.260 -7.146 -0.443 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.013 -7.245 -0.728 1.00 0.50 H new ATOM 0 HG23 ILE A 86 5.899 -8.256 -1.678 1.00 0.50 H new ATOM 0 HD11 ILE A 86 2.807 -9.472 0.943 1.00 0.45 H new ATOM 0 HD12 ILE A 86 3.908 -8.436 1.881 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.544 -8.040 0.185 1.00 0.45 H new ATOM 1322 N THR A 87 7.842 -10.638 2.234 1.00 0.52 N ATOM 1323 CA THR A 87 7.971 -11.619 3.305 1.00 0.57 C ATOM 1324 C THR A 87 6.647 -11.828 4.032 1.00 0.51 C ATOM 1325 O THR A 87 5.625 -11.245 3.666 1.00 0.48 O ATOM 1326 CB THR A 87 9.045 -11.196 4.325 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.710 -9.924 4.893 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.413 -11.118 3.665 1.00 1.27 C ATOM 0 H THR A 87 8.087 -9.685 2.504 1.00 0.52 H new ATOM 0 HA THR A 87 8.271 -12.557 2.837 1.00 0.57 H new ATOM 0 HB THR A 87 9.081 -11.946 5.115 1.00 0.64 H new ATOM 0 HG1 THR A 87 8.812 -9.964 5.867 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.157 -10.818 4.403 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.678 -12.095 3.260 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.386 -10.386 2.858 1.00 1.27 H new ATOM 1336 N SER A 88 6.675 -12.668 5.062 1.00 0.56 N ATOM 1337 CA SER A 88 5.481 -12.964 5.846 1.00 0.53 C ATOM 1338 C SER A 88 4.975 -11.717 6.565 1.00 0.48 C ATOM 1339 O SER A 88 3.813 -11.339 6.426 1.00 0.48 O ATOM 1340 CB SER A 88 5.775 -14.067 6.864 1.00 0.62 C ATOM 1341 OG SER A 88 6.813 -13.683 7.749 1.00 1.53 O ATOM 0 H SER A 88 7.514 -13.157 5.374 1.00 0.56 H new ATOM 0 HA SER A 88 4.705 -13.306 5.161 1.00 0.53 H new ATOM 0 HB2 SER A 88 4.873 -14.291 7.433 1.00 0.62 H new ATOM 0 HB3 SER A 88 6.058 -14.981 6.342 1.00 0.62 H new ATOM 0 HG SER A 88 6.980 -14.405 8.390 1.00 1.53 H new ATOM 1347 N ASP A 89 5.858 -11.086 7.334 1.00 0.51 N ATOM 1348 CA ASP A 89 5.505 -9.880 8.077 1.00 0.51 C ATOM 1349 C ASP A 89 4.975 -8.797 7.142 1.00 0.44 C ATOM 1350 O ASP A 89 4.106 -8.009 7.518 1.00 0.45 O ATOM 1351 CB ASP A 89 6.720 -9.356 8.844 1.00 0.59 C ATOM 1352 CG ASP A 89 7.866 -8.985 7.924 1.00 1.48 C ATOM 1353 OD1 ASP A 89 7.871 -7.846 7.410 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.759 -9.833 7.716 1.00 2.34 O ATOM 0 H ASP A 89 6.824 -11.390 7.459 1.00 0.51 H new ATOM 0 HA ASP A 89 4.718 -10.138 8.786 1.00 0.51 H new ATOM 0 HB2 ASP A 89 6.429 -8.483 9.428 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.056 -10.115 9.551 1.00 0.59 H new ATOM 1359 N GLN A 90 5.502 -8.763 5.923 1.00 0.44 N ATOM 1360 CA GLN A 90 5.080 -7.777 4.934 1.00 0.42 C ATOM 1361 C GLN A 90 3.709 -8.126 4.366 1.00 0.39 C ATOM 1362 O GLN A 90 2.951 -7.245 3.967 1.00 0.52 O ATOM 1363 CB GLN A 90 6.099 -7.690 3.796 1.00 0.49 C ATOM 1364 CG GLN A 90 7.436 -7.098 4.214 1.00 0.59 C ATOM 1365 CD GLN A 90 8.394 -6.948 3.050 1.00 0.75 C ATOM 1366 OE1 GLN A 90 9.163 -7.860 2.742 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.356 -5.792 2.397 1.00 0.91 N ATOM 0 H GLN A 90 6.222 -9.407 5.596 1.00 0.44 H new ATOM 0 HA GLN A 90 5.016 -6.810 5.434 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.265 -8.689 3.392 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.680 -7.086 2.991 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.271 -6.123 4.672 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.890 -7.734 4.974 1.00 0.59 H new ATOM 0 HE21 GLN A 90 7.703 -5.064 2.687 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.980 -5.632 1.606 1.00 0.91 H new ATOM 1376 N ALA A 91 3.397 -9.416 4.336 1.00 0.37 N ATOM 1377 CA ALA A 91 2.121 -9.881 3.807 1.00 0.37 C ATOM 1378 C ALA A 91 0.998 -9.714 4.824 1.00 0.34 C ATOM 1379 O ALA A 91 -0.160 -9.533 4.451 1.00 0.40 O ATOM 1380 CB ALA A 91 2.230 -11.335 3.376 1.00 0.45 C ATOM 0 H ALA A 91 4.010 -10.159 4.672 1.00 0.37 H new ATOM 0 HA ALA A 91 1.877 -9.268 2.940 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.271 -11.671 2.983 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.992 -11.429 2.603 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.506 -11.949 4.233 1.00 0.45 H new ATOM 1386 N ALA A 92 1.343 -9.773 6.104 1.00 0.31 N ATOM 1387 CA ALA A 92 0.353 -9.633 7.166 1.00 0.33 C ATOM 1388 C ALA A 92 -0.094 -8.185 7.326 1.00 0.28 C ATOM 1389 O ALA A 92 -1.193 -7.920 7.809 1.00 0.34 O ATOM 1390 CB ALA A 92 0.911 -10.165 8.476 1.00 0.40 C ATOM 0 H ALA A 92 2.298 -9.916 6.432 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.523 -10.220 6.888 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.163 -10.055 9.261 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.165 -11.219 8.362 1.00 0.40 H new ATOM 0 HB3 ALA A 92 1.805 -9.603 8.745 1.00 0.40 H new ATOM 1396 N VAL A 93 0.763 -7.252 6.925 1.00 0.26 N ATOM 1397 CA VAL A 93 0.447 -5.832 7.035 1.00 0.30 C ATOM 1398 C VAL A 93 -0.321 -5.333 5.810 1.00 0.28 C ATOM 1399 O VAL A 93 -1.229 -4.509 5.931 1.00 0.35 O ATOM 1400 CB VAL A 93 1.731 -4.988 7.244 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.968 -4.017 6.092 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.662 -4.245 8.570 1.00 0.55 C ATOM 0 H VAL A 93 1.679 -7.452 6.522 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.193 -5.711 7.909 1.00 0.30 H new ATOM 0 HB VAL A 93 2.578 -5.673 7.266 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.877 -3.446 6.279 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.075 -4.575 5.162 1.00 0.43 H new ATOM 0 HG13 VAL A 93 1.121 -3.335 6.011 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.569 -3.656 8.705 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.796 -3.583 8.571 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.571 -4.963 9.385 1.00 0.55 H new ATOM 1412 N ILE A 94 0.042 -5.840 4.634 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.605 -5.428 3.392 1.00 0.25 C ATOM 1414 C ILE A 94 -1.930 -6.157 3.172 1.00 0.25 C ATOM 1415 O ILE A 94 -2.875 -5.571 2.660 1.00 0.28 O ATOM 1416 CB ILE A 94 0.317 -5.654 2.175 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.681 -5.001 2.419 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.321 -5.089 0.914 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.689 -5.263 1.319 1.00 0.52 C ATOM 0 H ILE A 94 0.779 -6.535 4.516 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.809 -4.362 3.488 1.00 0.25 H new ATOM 0 HB ILE A 94 0.460 -6.726 2.040 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.545 -3.925 2.525 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.085 -5.366 3.363 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.341 -5.256 0.065 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.274 -5.586 0.734 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.488 -4.019 1.039 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.630 -4.769 1.562 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.856 -6.336 1.227 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.308 -4.873 0.375 1.00 0.52 H new ATOM 1431 N SER A 95 -1.998 -7.430 3.559 1.00 0.27 N ATOM 1432 CA SER A 95 -3.223 -8.221 3.395 1.00 0.34 C ATOM 1433 C SER A 95 -4.410 -7.570 4.105 1.00 0.39 C ATOM 1434 O SER A 95 -5.564 -7.919 3.854 1.00 0.47 O ATOM 1435 CB SER A 95 -3.023 -9.642 3.927 1.00 0.40 C ATOM 1436 OG SER A 95 -4.199 -10.417 3.766 1.00 0.49 O ATOM 0 H SER A 95 -1.223 -7.937 3.987 1.00 0.27 H new ATOM 0 HA SER A 95 -3.441 -8.263 2.328 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.195 -10.118 3.401 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.750 -9.604 4.982 1.00 0.40 H new ATOM 0 HG SER A 95 -4.960 -9.825 3.590 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.116 -6.634 4.996 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.149 -5.933 5.751 1.00 0.46 C ATOM 1444 C LYS A 96 -5.740 -4.775 4.947 1.00 0.45 C ATOM 1445 O LYS A 96 -6.597 -4.041 5.437 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.571 -5.418 7.066 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.871 -6.494 7.871 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.073 -5.904 9.020 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.985 -5.396 10.125 1.00 1.32 C ATOM 1450 NZ LYS A 96 -3.227 -4.678 11.187 1.00 2.12 N ATOM 0 H LYS A 96 -3.164 -6.340 5.216 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.953 -6.639 5.960 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.866 -4.614 6.856 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.374 -4.989 7.665 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.609 -7.194 8.262 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.206 -7.062 7.220 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.398 -6.659 9.422 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.453 -5.086 8.653 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.734 -4.728 9.699 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.522 -6.236 10.567 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.886 -4.348 11.921 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.530 -5.322 11.612 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.735 -3.862 10.771 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.262 -4.615 3.717 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.713 -3.537 2.833 1.00 0.40 C ATOM 1466 C PHE A 97 -7.239 -3.453 2.681 1.00 0.48 C ATOM 1467 O PHE A 97 -7.738 -2.521 2.049 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.052 -3.645 1.445 1.00 0.37 C ATOM 1469 CG PHE A 97 -4.941 -5.042 0.868 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.685 -6.074 1.417 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.122 -5.326 -0.215 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.614 -7.356 0.905 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.051 -6.607 -0.733 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.677 -7.595 -0.212 1.00 0.53 C ATOM 0 H PHE A 97 -4.555 -5.223 3.303 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.397 -2.614 3.320 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.618 -3.029 0.746 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.051 -3.219 1.507 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.331 -5.873 2.259 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.533 -4.538 -0.659 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.221 -8.154 1.307 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.445 -6.780 -1.610 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.521 -8.596 -0.586 1.00 0.53 H new ATOM 1484 N TRP A 98 -7.991 -4.403 3.244 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.452 -4.348 3.137 1.00 0.63 C ATOM 1486 C TRP A 98 -10.143 -4.567 4.481 1.00 0.69 C ATOM 1487 O TRP A 98 -11.361 -4.422 4.580 1.00 0.78 O ATOM 1488 CB TRP A 98 -9.984 -5.349 2.101 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.575 -6.774 2.331 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.669 -7.482 1.600 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.071 -7.674 3.334 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.551 -8.756 2.095 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.402 -8.901 3.157 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -11.005 -7.565 4.368 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.637 -10.005 3.971 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.240 -8.663 5.175 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.558 -9.868 4.973 1.00 1.00 C ATOM 0 H TRP A 98 -7.625 -5.200 3.765 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.691 -3.340 2.800 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.073 -5.296 2.092 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.641 -5.043 1.112 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.122 -7.096 0.753 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.930 -9.478 1.731 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.534 -6.638 4.534 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.111 -10.936 3.817 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.962 -8.589 5.975 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.763 -10.707 5.621 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.378 -4.913 5.511 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.959 -5.139 6.833 1.00 0.91 C ATOM 1510 C LYS A 99 -9.651 -3.979 7.773 1.00 1.11 C ATOM 1511 O LYS A 99 -10.312 -3.805 8.797 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.455 -6.460 7.429 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.947 -6.516 7.658 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.530 -5.856 8.969 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.245 -6.463 10.167 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.869 -5.787 11.440 1.00 1.67 N ATOM 0 H LYS A 99 -8.367 -5.042 5.460 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.041 -5.203 6.716 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.961 -6.632 8.379 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.739 -7.276 6.764 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.621 -7.556 7.659 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.438 -6.024 6.829 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.453 -5.959 9.100 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.745 -4.788 8.922 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.323 -6.390 10.022 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -8.004 -7.524 10.234 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.378 -6.230 12.232 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.844 -5.879 11.592 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.122 -4.780 11.386 1.00 1.67 H new