USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 653 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 56 SER OG : rot -51:sc= 1.24 USER MOD Set 1.2: A 101 MET CE :methyl -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 5 TYR OH : rot -64:sc= 1.18 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.275 X(o=0.27,f=0) USER MOD Single : A 8 THR OG1 : rot 68:sc= 0.94 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 150:sc= -0.665 USER MOD Single : A 27 GLN : amide:sc= -1.17! C(o=-1.2!,f=-12!) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 32 HIS : no HD1:sc= 0.17 K(o=0.17,f=-9.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.259 K(o=0.26,f=-2.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.01 (180deg=1.01) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 1.96 (180deg=1.94) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.55 USER MOD Single : A 92 TYR OH : rot 156:sc= 1.04 USER MOD Single : A 93 THR OG1 : rot 109:sc= 1.24 USER MOD Single : A 99 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 7.040 3.265 -3.936 1.00 0.00 N ATOM 50 CA ASP A 4 7.495 4.492 -4.580 1.00 0.00 C ATOM 51 C ASP A 4 7.909 4.236 -6.023 1.00 0.00 C ATOM 52 O ASP A 4 8.833 3.467 -6.287 1.00 0.00 O ATOM 53 CB ASP A 4 8.669 5.099 -3.806 1.00 0.00 C ATOM 54 CG ASP A 4 9.054 6.485 -4.306 1.00 0.00 C ATOM 55 OD1 ASP A 4 8.527 6.901 -5.311 1.00 0.00 O ATOM 56 OD2 ASP A 4 9.871 7.114 -3.678 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.662 5.195 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.409 5.159 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.531 4.437 -3.885 1.00 0.00 H new ATOM 61 N TYR A 5 7.220 4.886 -6.954 1.00 0.00 N ATOM 62 CA TYR A 5 7.509 4.726 -8.374 1.00 0.00 C ATOM 63 C TYR A 5 8.890 5.268 -8.720 1.00 0.00 C ATOM 64 O TYR A 5 9.511 4.838 -9.692 1.00 0.00 O ATOM 65 CB TYR A 5 6.440 5.420 -9.221 1.00 0.00 C ATOM 66 CG TYR A 5 5.053 4.845 -9.043 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.851 3.771 -8.187 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.981 5.391 -9.735 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.583 3.247 -8.025 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.714 4.866 -9.572 1.00 0.00 C ATOM 71 CZ TYR A 5 2.514 3.799 -8.721 1.00 0.00 C ATOM 72 OH TYR A 5 1.251 3.276 -8.559 1.00 0.00 O ATOM 0 H TYR A 5 6.456 5.530 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 5 7.498 3.659 -8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.419 6.480 -8.967 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.720 5.350 -10.272 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.685 3.345 -7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.138 6.227 -10.401 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.423 2.411 -7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.880 5.291 -10.111 1.00 0.00 H new ATOM 0 HH TYR A 5 1.234 2.354 -8.890 1.00 0.00 H new ATOM 82 N TYR A 6 9.367 6.213 -7.917 1.00 0.00 N ATOM 83 CA TYR A 6 10.657 6.847 -8.162 1.00 0.00 C ATOM 84 C TYR A 6 11.804 5.960 -7.692 1.00 0.00 C ATOM 85 O TYR A 6 12.900 5.998 -8.251 1.00 0.00 O ATOM 86 CB TYR A 6 10.723 8.211 -7.470 1.00 0.00 C ATOM 87 CG TYR A 6 9.597 9.145 -7.854 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.775 9.678 -6.873 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.387 9.467 -9.186 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.746 10.531 -7.223 1.00 0.00 C ATOM 91 CE2 TYR A 6 8.359 10.321 -9.536 1.00 0.00 C ATOM 92 CZ TYR A 6 7.540 10.851 -8.560 1.00 0.00 C ATOM 93 OH TYR A 6 6.515 11.701 -8.909 1.00 0.00 O ATOM 0 H TYR A 6 8.879 6.557 -7.090 1.00 0.00 H new ATOM 0 HA TYR A 6 10.760 6.993 -9.237 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.706 8.062 -6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.674 8.685 -7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.939 9.427 -5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.027 9.050 -9.950 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.104 10.948 -6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.196 10.574 -10.573 1.00 0.00 H new ATOM 0 HH TYR A 6 6.508 11.823 -9.881 1.00 0.00 H new ATOM 103 N GLN A 7 11.545 5.162 -6.662 1.00 0.00 N ATOM 104 CA GLN A 7 12.477 4.122 -6.245 1.00 0.00 C ATOM 105 C GLN A 7 12.348 2.884 -7.123 1.00 0.00 C ATOM 106 O GLN A 7 13.218 2.012 -7.115 1.00 0.00 O ATOM 107 CB GLN A 7 12.243 3.749 -4.778 1.00 0.00 C ATOM 108 CG GLN A 7 12.562 4.863 -3.795 1.00 0.00 C ATOM 109 CD GLN A 7 12.236 4.482 -2.363 1.00 0.00 C ATOM 110 OE1 GLN A 7 12.759 3.497 -1.833 1.00 0.00 O ATOM 111 NE2 GLN A 7 11.366 5.260 -1.729 1.00 0.00 N ATOM 0 H GLN A 7 10.696 5.216 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 7 13.487 4.517 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.201 3.455 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.852 2.879 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.619 5.117 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.000 5.756 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.959 6.064 -2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.105 5.053 -0.765 1.00 0.00 H new ATOM 120 N THR A 8 11.258 2.811 -7.879 1.00 0.00 N ATOM 121 CA THR A 8 11.099 1.779 -8.898 1.00 0.00 C ATOM 122 C THR A 8 11.878 2.128 -10.160 1.00 0.00 C ATOM 123 O THR A 8 12.380 1.244 -10.854 1.00 0.00 O ATOM 124 CB THR A 8 9.614 1.570 -9.248 1.00 0.00 C ATOM 125 OG1 THR A 8 8.883 1.244 -8.059 1.00 0.00 O ATOM 126 CG2 THR A 8 9.458 0.445 -10.259 1.00 0.00 C ATOM 0 H THR A 8 10.470 3.455 -7.805 1.00 0.00 H new ATOM 0 HA THR A 8 11.497 0.852 -8.485 1.00 0.00 H new ATOM 0 HB THR A 8 9.225 2.491 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.862 2.023 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.402 0.311 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.004 0.695 -11.169 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.856 -0.479 -9.839 1.00 0.00 H new ATOM 134 N LEU A 9 11.974 3.421 -10.452 1.00 0.00 N ATOM 135 CA LEU A 9 12.724 3.890 -11.611 1.00 0.00 C ATOM 136 C LEU A 9 14.130 4.324 -11.218 1.00 0.00 C ATOM 137 O LEU A 9 14.989 4.530 -12.076 1.00 0.00 O ATOM 138 CB LEU A 9 11.989 5.059 -12.279 1.00 0.00 C ATOM 139 CG LEU A 9 11.053 4.683 -13.434 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.837 3.951 -12.884 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.641 5.941 -14.185 1.00 0.00 C ATOM 0 H LEU A 9 11.541 4.163 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 9 12.804 3.062 -12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.407 5.580 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.731 5.765 -12.652 1.00 0.00 H new ATOM 0 HG LEU A 9 11.568 4.021 -14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.171 3.684 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.159 3.046 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.308 4.598 -12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.976 5.673 -15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.124 6.618 -13.505 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.528 6.434 -14.583 1.00 0.00 H new ATOM 153 N GLY A 10 14.360 4.462 -9.917 1.00 0.00 N ATOM 154 CA GLY A 10 15.660 4.881 -9.408 1.00 0.00 C ATOM 155 C GLY A 10 15.887 6.370 -9.640 1.00 0.00 C ATOM 156 O GLY A 10 17.018 6.811 -9.845 1.00 0.00 O ATOM 0 H GLY A 10 13.661 4.289 -9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.724 4.662 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.448 4.309 -9.899 1.00 0.00 H new ATOM 160 N LEU A 11 14.806 7.141 -9.606 1.00 0.00 N ATOM 161 CA LEU A 11 14.887 8.585 -9.793 1.00 0.00 C ATOM 162 C LEU A 11 14.538 9.328 -8.511 1.00 0.00 C ATOM 163 O LEU A 11 13.999 8.744 -7.571 1.00 0.00 O ATOM 164 CB LEU A 11 13.946 9.027 -10.920 1.00 0.00 C ATOM 165 CG LEU A 11 14.273 8.477 -12.315 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.187 8.899 -13.295 1.00 0.00 C ATOM 167 CD2 LEU A 11 15.636 8.990 -12.756 1.00 0.00 C ATOM 0 H LEU A 11 13.861 6.789 -9.450 1.00 0.00 H new ATOM 0 HA LEU A 11 15.915 8.830 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.931 8.726 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.953 10.116 -10.968 1.00 0.00 H new ATOM 0 HG LEU A 11 14.307 7.388 -12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.419 8.508 -14.286 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.226 8.504 -12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.137 9.987 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.869 8.600 -13.747 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.621 10.079 -12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.396 8.659 -12.048 1.00 0.00 H new ATOM 179 N ALA A 12 14.848 10.620 -8.478 1.00 0.00 N ATOM 180 CA ALA A 12 14.283 11.518 -7.479 1.00 0.00 C ATOM 181 C ALA A 12 12.871 11.946 -7.858 1.00 0.00 C ATOM 182 O ALA A 12 12.511 11.956 -9.035 1.00 0.00 O ATOM 183 CB ALA A 12 15.175 12.738 -7.298 1.00 0.00 C ATOM 0 H ALA A 12 15.489 11.068 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 12 14.229 10.978 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.740 13.399 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.165 12.420 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.261 13.270 -8.246 1.00 0.00 H new ATOM 189 N ARG A 13 12.075 12.299 -6.855 1.00 0.00 N ATOM 190 CA ARG A 13 10.703 12.737 -7.083 1.00 0.00 C ATOM 191 C ARG A 13 10.641 13.822 -8.149 1.00 0.00 C ATOM 192 O ARG A 13 9.662 13.924 -8.889 1.00 0.00 O ATOM 193 CB ARG A 13 10.087 13.259 -5.793 1.00 0.00 C ATOM 194 CG ARG A 13 8.657 13.759 -5.925 1.00 0.00 C ATOM 195 CD ARG A 13 8.098 14.177 -4.614 1.00 0.00 C ATOM 196 NE ARG A 13 6.724 14.636 -4.731 1.00 0.00 N ATOM 197 CZ ARG A 13 6.000 15.151 -3.718 1.00 0.00 C ATOM 198 NH1 ARG A 13 6.533 15.265 -2.522 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 4.755 15.541 -3.927 1.00 0.00 N ATOM 0 H ARG A 13 12.357 12.290 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 13 10.136 11.873 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.112 12.464 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.707 14.071 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.628 14.600 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.035 12.973 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.143 13.340 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.712 14.974 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 13 6.276 14.563 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.494 14.964 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.986 15.655 -1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.342 15.452 -4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.207 15.931 -3.160 1.00 0.00 H new ATOM 213 N GLY A 14 11.691 14.632 -8.223 1.00 0.00 N ATOM 214 CA GLY A 14 11.673 15.839 -9.043 1.00 0.00 C ATOM 215 C GLY A 14 12.465 15.641 -10.328 1.00 0.00 C ATOM 216 O GLY A 14 13.016 16.594 -10.881 1.00 0.00 O ATOM 0 H GLY A 14 12.567 14.475 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.643 16.103 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.092 16.672 -8.479 1.00 0.00 H new ATOM 220 N ALA A 15 12.517 14.401 -10.802 1.00 0.00 N ATOM 221 CA ALA A 15 13.215 14.082 -12.041 1.00 0.00 C ATOM 222 C ALA A 15 12.492 14.668 -13.247 1.00 0.00 C ATOM 223 O ALA A 15 11.380 14.254 -13.577 1.00 0.00 O ATOM 224 CB ALA A 15 13.364 12.576 -12.193 1.00 0.00 C ATOM 0 H ALA A 15 12.083 13.599 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 15 14.207 14.530 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.887 12.354 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.934 12.180 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.377 12.113 -12.212 1.00 0.00 H new ATOM 230 N SER A 16 13.129 15.632 -13.903 1.00 0.00 N ATOM 231 CA SER A 16 12.608 16.186 -15.147 1.00 0.00 C ATOM 232 C SER A 16 12.222 15.080 -16.122 1.00 0.00 C ATOM 233 O SER A 16 12.647 13.935 -15.977 1.00 0.00 O ATOM 234 CB SER A 16 13.638 17.097 -15.784 1.00 0.00 C ATOM 235 OG SER A 16 14.739 16.365 -16.248 1.00 0.00 O ATOM 0 H SER A 16 14.008 16.046 -13.593 1.00 0.00 H new ATOM 0 HA SER A 16 11.713 16.762 -14.911 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.184 17.642 -16.612 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.970 17.839 -15.058 1.00 0.00 H new ATOM 0 HG SER A 16 15.389 16.975 -16.656 1.00 0.00 H new ATOM 241 N ASP A 17 11.413 15.433 -17.116 1.00 0.00 N ATOM 242 CA ASP A 17 10.808 14.442 -17.998 1.00 0.00 C ATOM 243 C ASP A 17 11.870 13.667 -18.767 1.00 0.00 C ATOM 244 O ASP A 17 11.651 12.523 -19.165 1.00 0.00 O ATOM 245 CB ASP A 17 9.846 15.115 -18.982 1.00 0.00 C ATOM 246 CG ASP A 17 8.581 15.633 -18.312 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.339 15.273 -17.185 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.868 16.382 -18.935 1.00 0.00 O1- ATOM 0 H ASP A 17 11.161 16.398 -17.331 1.00 0.00 H new ATOM 0 HA ASP A 17 10.252 13.741 -17.375 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.357 15.944 -19.473 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.573 14.403 -19.761 1.00 0.00 H new ATOM 253 N GLU A 18 13.021 14.297 -18.973 1.00 0.00 N ATOM 254 CA GLU A 18 14.100 13.690 -19.743 1.00 0.00 C ATOM 255 C GLU A 18 14.716 12.513 -18.996 1.00 0.00 C ATOM 256 O GLU A 18 14.990 11.467 -19.585 1.00 0.00 O ATOM 257 CB GLU A 18 15.180 14.728 -20.060 1.00 0.00 C ATOM 258 CG GLU A 18 16.381 14.175 -20.814 1.00 0.00 C ATOM 259 CD GLU A 18 16.026 13.660 -22.181 1.00 0.00 C ATOM 260 OE1 GLU A 18 15.020 14.069 -22.708 1.00 0.00 O ATOM 261 OE2 GLU A 18 16.763 12.854 -22.700 1.00 0.00 O1- ATOM 0 H GLU A 18 13.231 15.229 -18.617 1.00 0.00 H new ATOM 0 HA GLU A 18 13.675 13.320 -20.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.734 15.530 -20.649 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.525 15.172 -19.126 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.135 14.956 -20.910 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.829 13.369 -20.233 1.00 0.00 H new ATOM 268 N GLU A 19 14.932 12.691 -17.698 1.00 0.00 N ATOM 269 CA GLU A 19 15.455 11.623 -16.855 1.00 0.00 C ATOM 270 C GLU A 19 14.420 10.523 -16.654 1.00 0.00 C ATOM 271 O GLU A 19 14.765 9.347 -16.547 1.00 0.00 O ATOM 272 CB GLU A 19 15.890 12.179 -15.497 1.00 0.00 C ATOM 273 CG GLU A 19 17.138 13.050 -15.546 1.00 0.00 C ATOM 274 CD GLU A 19 18.344 12.315 -16.059 1.00 0.00 C ATOM 275 OE1 GLU A 19 18.612 11.240 -15.577 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.999 12.828 -16.936 1.00 0.00 O1- ATOM 0 H GLU A 19 14.753 13.566 -17.206 1.00 0.00 H new ATOM 0 HA GLU A 19 16.320 11.194 -17.361 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.071 12.762 -15.077 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.069 11.346 -14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.947 13.914 -16.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.349 13.431 -14.547 1.00 0.00 H new ATOM 283 N ILE A 20 13.151 10.914 -16.605 1.00 0.00 N ATOM 284 CA ILE A 20 12.055 9.953 -16.554 1.00 0.00 C ATOM 285 C ILE A 20 12.039 9.068 -17.794 1.00 0.00 C ATOM 286 O ILE A 20 11.835 7.858 -17.704 1.00 0.00 O ATOM 287 CB ILE A 20 10.700 10.671 -16.418 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.572 11.309 -15.032 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.556 9.701 -16.667 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.408 12.265 -14.905 1.00 0.00 C ATOM 0 H ILE A 20 12.856 11.890 -16.600 1.00 0.00 H new ATOM 0 HA ILE A 20 12.215 9.325 -15.677 1.00 0.00 H new ATOM 0 HB ILE A 20 10.649 11.461 -17.168 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.465 10.520 -14.288 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.494 11.842 -14.801 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.606 10.226 -16.567 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.639 9.291 -17.673 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.601 8.890 -15.940 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.383 12.676 -13.896 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.523 13.076 -15.624 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.477 11.733 -15.103 1.00 0.00 H new ATOM 302 N LYS A 21 12.256 9.681 -18.953 1.00 0.00 N ATOM 303 CA LYS A 21 12.253 8.953 -20.216 1.00 0.00 C ATOM 304 C LYS A 21 13.457 8.026 -20.323 1.00 0.00 C ATOM 305 O LYS A 21 13.346 6.901 -20.809 1.00 0.00 O ATOM 306 CB LYS A 21 12.233 9.927 -21.396 1.00 0.00 C ATOM 307 CG LYS A 21 10.901 10.634 -21.604 1.00 0.00 C ATOM 308 CD LYS A 21 10.981 11.640 -22.744 1.00 0.00 C ATOM 309 CE LYS A 21 9.660 12.369 -22.935 1.00 0.00 C ATOM 310 NZ LYS A 21 9.734 13.381 -24.023 1.00 0.00 N1+ ATOM 0 H LYS A 21 12.436 10.681 -19.043 1.00 0.00 H new ATOM 0 HA LYS A 21 11.351 8.342 -20.245 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.009 10.677 -21.246 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.488 9.383 -22.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.126 9.898 -21.819 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.610 11.144 -20.686 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.771 12.363 -22.539 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.251 11.126 -23.666 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.877 11.646 -23.165 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.378 12.859 -22.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.813 13.854 -24.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.463 14.086 -23.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.978 12.911 -24.918 1.00 0.00 H new ATOM 324 N ARG A 22 14.609 8.506 -19.865 1.00 0.00 N ATOM 325 CA ARG A 22 15.820 7.696 -19.838 1.00 0.00 C ATOM 326 C ARG A 22 15.675 6.521 -18.879 1.00 0.00 C ATOM 327 O ARG A 22 15.861 5.367 -19.264 1.00 0.00 O ATOM 328 CB ARG A 22 17.019 8.538 -19.427 1.00 0.00 C ATOM 329 CG ARG A 22 17.471 9.556 -20.462 1.00 0.00 C ATOM 330 CD ARG A 22 18.496 10.479 -19.913 1.00 0.00 C ATOM 331 NE ARG A 22 18.960 11.430 -20.911 1.00 0.00 N ATOM 332 CZ ARG A 22 19.728 12.504 -20.646 1.00 0.00 C ATOM 333 NH1 ARG A 22 20.109 12.751 -19.412 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 20.099 13.311 -21.624 1.00 0.00 N ATOM 0 H ARG A 22 14.728 9.454 -19.507 1.00 0.00 H new ATOM 0 HA ARG A 22 15.978 7.310 -20.845 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.776 9.064 -18.504 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.853 7.872 -19.205 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.877 9.037 -21.330 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.611 10.130 -20.807 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.080 11.019 -19.063 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.342 9.902 -19.541 1.00 0.00 H new ATOM 0 HE ARG A 22 18.684 11.272 -21.880 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.823 12.129 -18.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.691 13.564 -19.211 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.804 13.121 -22.582 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.681 14.124 -21.421 1.00 0.00 H new ATOM 348 N ALA A 23 15.344 6.823 -17.628 1.00 0.00 N ATOM 349 CA ALA A 23 15.031 5.790 -16.648 1.00 0.00 C ATOM 350 C ALA A 23 14.002 4.808 -17.193 1.00 0.00 C ATOM 351 O ALA A 23 14.135 3.596 -17.023 1.00 0.00 O ATOM 352 CB ALA A 23 14.530 6.419 -15.357 1.00 0.00 C ATOM 0 H ALA A 23 15.286 7.776 -17.269 1.00 0.00 H new ATOM 0 HA ALA A 23 15.946 5.237 -16.438 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.301 5.635 -14.635 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.300 7.074 -14.949 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.630 7.000 -15.560 1.00 0.00 H new ATOM 358 N TYR A 24 12.974 5.338 -17.848 1.00 0.00 N ATOM 359 CA TYR A 24 11.926 4.508 -18.429 1.00 0.00 C ATOM 360 C TYR A 24 12.489 3.570 -19.489 1.00 0.00 C ATOM 361 O TYR A 24 12.153 2.387 -19.526 1.00 0.00 O ATOM 362 CB TYR A 24 10.822 5.382 -19.028 1.00 0.00 C ATOM 363 CG TYR A 24 9.740 4.598 -19.738 1.00 0.00 C ATOM 364 CD1 TYR A 24 8.956 3.699 -19.030 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.531 4.778 -21.097 1.00 0.00 C ATOM 366 CE1 TYR A 24 7.968 2.983 -19.678 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.543 4.063 -21.746 1.00 0.00 C ATOM 368 CZ TYR A 24 7.765 3.169 -21.041 1.00 0.00 C ATOM 369 OH TYR A 24 6.781 2.455 -21.687 1.00 0.00 O ATOM 0 H TYR A 24 12.845 6.340 -17.990 1.00 0.00 H new ATOM 0 HA TYR A 24 11.501 3.900 -17.631 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.367 5.973 -18.233 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.269 6.085 -19.731 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.118 3.559 -17.971 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.141 5.478 -21.649 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.356 2.282 -19.129 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.380 4.204 -22.804 1.00 0.00 H new ATOM 0 HH TYR A 24 6.434 2.981 -22.438 1.00 0.00 H new ATOM 379 N ARG A 25 13.349 4.105 -20.349 1.00 0.00 N ATOM 380 CA ARG A 25 14.023 3.300 -21.360 1.00 0.00 C ATOM 381 C ARG A 25 14.775 2.136 -20.727 1.00 0.00 C ATOM 382 O ARG A 25 14.660 0.995 -21.173 1.00 0.00 O ATOM 383 CB ARG A 25 14.996 4.152 -22.162 1.00 0.00 C ATOM 384 CG ARG A 25 15.751 3.407 -23.251 1.00 0.00 C ATOM 385 CD ARG A 25 16.883 4.209 -23.782 1.00 0.00 C ATOM 386 NE ARG A 25 16.422 5.370 -24.528 1.00 0.00 N ATOM 387 CZ ARG A 25 17.219 6.361 -24.971 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.513 6.319 -24.735 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 16.702 7.376 -25.641 1.00 0.00 N ATOM 0 H ARG A 25 13.596 5.095 -20.366 1.00 0.00 H new ATOM 0 HA ARG A 25 13.257 2.902 -22.025 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.445 4.974 -22.619 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.719 4.595 -21.477 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.128 2.465 -22.853 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.068 3.160 -24.063 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.515 4.536 -22.956 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.500 3.584 -24.428 1.00 0.00 H new ATOM 0 HE ARG A 25 15.424 5.438 -24.730 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.912 5.536 -24.217 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.117 7.069 -25.070 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.699 7.409 -25.823 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.306 8.126 -25.976 1.00 0.00 H new ATOM 403 N ARG A 26 15.544 2.432 -19.686 1.00 0.00 N ATOM 404 CA ARG A 26 16.382 1.428 -19.041 1.00 0.00 C ATOM 405 C ARG A 26 15.536 0.340 -18.393 1.00 0.00 C ATOM 406 O ARG A 26 15.874 -0.843 -18.456 1.00 0.00 O ATOM 407 CB ARG A 26 17.272 2.069 -17.987 1.00 0.00 C ATOM 408 CG ARG A 26 18.378 2.956 -18.538 1.00 0.00 C ATOM 409 CD ARG A 26 19.153 3.607 -17.451 1.00 0.00 C ATOM 410 NE ARG A 26 20.220 4.447 -17.973 1.00 0.00 N ATOM 411 CZ ARG A 26 20.989 5.259 -17.223 1.00 0.00 C ATOM 412 NH1 ARG A 26 20.799 5.332 -15.925 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 21.935 5.984 -17.794 1.00 0.00 N ATOM 0 H ARG A 26 15.605 3.361 -19.270 1.00 0.00 H new ATOM 0 HA ARG A 26 17.005 0.976 -19.813 1.00 0.00 H new ATOM 0 HB2 ARG A 26 16.649 2.663 -17.318 1.00 0.00 H new ATOM 0 HB3 ARG A 26 17.724 1.280 -17.385 1.00 0.00 H new ATOM 0 HG2 ARG A 26 19.049 2.359 -19.156 1.00 0.00 H new ATOM 0 HG3 ARG A 26 17.944 3.720 -19.183 1.00 0.00 H new ATOM 0 HD2 ARG A 26 18.483 4.210 -16.839 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.578 2.843 -16.800 1.00 0.00 H new ATOM 0 HE ARG A 26 20.398 4.419 -18.977 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.068 4.773 -15.484 1.00 0.00 H new ATOM 0 HH12 ARG A 26 21.382 5.947 -15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.082 5.928 -18.802 1.00 0.00 H new ATOM 0 HH22 ARG A 26 22.518 6.599 -17.227 1.00 0.00 H new ATOM 427 N GLN A 27 14.435 0.745 -17.770 1.00 0.00 N ATOM 428 CA GLN A 27 13.570 -0.187 -17.058 1.00 0.00 C ATOM 429 C GLN A 27 12.750 -1.029 -18.027 1.00 0.00 C ATOM 430 O GLN A 27 12.556 -2.225 -17.815 1.00 0.00 O ATOM 431 CB GLN A 27 12.640 0.567 -16.104 1.00 0.00 C ATOM 432 CG GLN A 27 13.351 1.247 -14.947 1.00 0.00 C ATOM 433 CD GLN A 27 14.293 0.310 -14.216 1.00 0.00 C ATOM 434 OE1 GLN A 27 15.156 -0.327 -14.827 1.00 0.00 O ATOM 435 NE2 GLN A 27 14.134 0.220 -12.900 1.00 0.00 N ATOM 0 H GLN A 27 14.120 1.715 -17.744 1.00 0.00 H new ATOM 0 HA GLN A 27 14.207 -0.856 -16.479 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.090 1.319 -16.670 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.905 -0.131 -15.704 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.913 2.103 -15.322 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.611 1.633 -14.246 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.407 0.765 -12.436 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.738 -0.394 -12.354 1.00 0.00 H new ATOM 444 N ALA A 28 12.270 -0.396 -19.093 1.00 0.00 N ATOM 445 CA ALA A 28 11.519 -1.096 -20.126 1.00 0.00 C ATOM 446 C ALA A 28 12.399 -2.096 -20.865 1.00 0.00 C ATOM 447 O ALA A 28 11.940 -3.166 -21.264 1.00 0.00 O ATOM 448 CB ALA A 28 10.910 -0.103 -21.105 1.00 0.00 C ATOM 0 H ALA A 28 12.389 0.603 -19.263 1.00 0.00 H new ATOM 0 HA ALA A 28 10.715 -1.649 -19.640 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.352 -0.642 -21.871 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.237 0.568 -20.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.704 0.477 -21.576 1.00 0.00 H new ATOM 454 N LEU A 29 13.666 -1.741 -21.047 1.00 0.00 N ATOM 455 CA LEU A 29 14.649 -2.665 -21.600 1.00 0.00 C ATOM 456 C LEU A 29 15.040 -3.727 -20.582 1.00 0.00 C ATOM 457 O LEU A 29 15.347 -4.864 -20.943 1.00 0.00 O ATOM 458 CB LEU A 29 15.898 -1.899 -22.054 1.00 0.00 C ATOM 459 CG LEU A 29 15.712 -0.982 -23.269 1.00 0.00 C ATOM 460 CD1 LEU A 29 16.995 -0.200 -23.518 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.336 -1.818 -24.483 1.00 0.00 C ATOM 0 H LEU A 29 14.037 -0.819 -20.819 1.00 0.00 H new ATOM 0 HA LEU A 29 14.196 -3.162 -22.458 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.256 -1.297 -21.219 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.681 -2.622 -22.284 1.00 0.00 H new ATOM 0 HG LEU A 29 14.908 -0.271 -23.079 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.862 0.452 -24.382 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.229 0.403 -22.641 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.813 -0.894 -23.710 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.204 -1.166 -25.347 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.129 -2.537 -24.689 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.406 -2.350 -24.284 1.00 0.00 H new ATOM 473 N ARG A 30 15.027 -3.353 -19.307 1.00 0.00 N ATOM 474 CA ARG A 30 15.290 -4.298 -18.228 1.00 0.00 C ATOM 475 C ARG A 30 14.249 -5.410 -18.204 1.00 0.00 C ATOM 476 O ARG A 30 14.569 -6.566 -17.929 1.00 0.00 O ATOM 477 CB ARG A 30 15.298 -3.585 -16.883 1.00 0.00 C ATOM 478 CG ARG A 30 15.655 -4.465 -15.696 1.00 0.00 C ATOM 479 CD ARG A 30 15.581 -3.717 -14.416 1.00 0.00 C ATOM 480 NE ARG A 30 16.545 -2.629 -14.367 1.00 0.00 N ATOM 481 CZ ARG A 30 17.849 -2.776 -14.060 1.00 0.00 C ATOM 482 NH1 ARG A 30 18.327 -3.968 -13.778 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 18.647 -1.723 -14.043 1.00 0.00 N ATOM 0 H ARG A 30 14.837 -2.401 -18.995 1.00 0.00 H new ATOM 0 HA ARG A 30 16.270 -4.739 -18.410 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.007 -2.758 -16.930 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.313 -3.151 -16.712 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.977 -5.318 -15.659 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.661 -4.863 -15.827 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.575 -3.317 -14.287 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.762 -4.400 -13.586 1.00 0.00 H new ATOM 0 HE ARG A 30 16.211 -1.689 -14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.711 -4.781 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.314 -4.080 -13.546 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.276 -0.798 -14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.634 -1.835 -13.811 1.00 0.00 H new ATOM 497 N TYR A 31 13.003 -5.054 -18.494 1.00 0.00 N ATOM 498 CA TYR A 31 11.908 -6.015 -18.479 1.00 0.00 C ATOM 499 C TYR A 31 11.468 -6.372 -19.893 1.00 0.00 C ATOM 500 O TYR A 31 10.411 -6.972 -20.092 1.00 0.00 O ATOM 501 CB TYR A 31 10.724 -5.467 -17.677 1.00 0.00 C ATOM 502 CG TYR A 31 11.042 -5.204 -16.222 1.00 0.00 C ATOM 503 CD1 TYR A 31 11.051 -3.904 -15.739 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.324 -6.263 -15.372 1.00 0.00 C ATOM 505 CE1 TYR A 31 11.342 -3.663 -14.409 1.00 0.00 C ATOM 506 CE2 TYR A 31 11.615 -6.022 -14.042 1.00 0.00 C ATOM 507 CZ TYR A 31 11.624 -4.728 -13.562 1.00 0.00 C ATOM 508 OH TYR A 31 11.913 -4.489 -12.238 1.00 0.00 O ATOM 0 H TYR A 31 12.726 -4.104 -18.743 1.00 0.00 H new ATOM 0 HA TYR A 31 12.268 -6.924 -17.997 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.383 -4.540 -18.138 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.898 -6.176 -17.736 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.831 -3.080 -16.402 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.316 -7.275 -15.749 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.350 -2.652 -14.030 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.835 -6.846 -13.379 1.00 0.00 H new ATOM 0 HH TYR A 31 12.086 -5.339 -11.782 1.00 0.00 H new ATOM 518 N HIS A 32 12.284 -6.000 -20.872 1.00 0.00 N ATOM 519 CA HIS A 32 12.111 -6.479 -22.238 1.00 0.00 C ATOM 520 C HIS A 32 12.042 -8.000 -22.284 1.00 0.00 C ATOM 521 O HIS A 32 12.826 -8.686 -21.630 1.00 0.00 O ATOM 522 CB HIS A 32 13.251 -5.985 -23.134 1.00 0.00 C ATOM 523 CG HIS A 32 12.990 -6.169 -24.598 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.972 -7.410 -25.200 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.737 -5.271 -25.578 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.718 -7.265 -26.489 1.00 0.00 C ATOM 527 NE2 HIS A 32 12.573 -5.978 -26.743 1.00 0.00 N ATOM 0 H HIS A 32 13.074 -5.367 -20.745 1.00 0.00 H new ATOM 0 HA HIS A 32 11.168 -6.078 -22.609 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.425 -4.928 -22.935 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.166 -6.514 -22.868 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.676 -4.199 -25.465 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.642 -8.064 -27.212 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.372 -5.574 -27.658 1.00 0.00 H new ATOM 535 N PRO A 33 11.099 -8.521 -23.062 1.00 0.00 N ATOM 536 CA PRO A 33 10.881 -9.961 -23.142 1.00 0.00 C ATOM 537 C PRO A 33 12.177 -10.697 -23.457 1.00 0.00 C ATOM 538 O PRO A 33 12.405 -11.806 -22.974 1.00 0.00 O ATOM 539 CB PRO A 33 9.865 -10.093 -24.281 1.00 0.00 C ATOM 540 CG PRO A 33 9.053 -8.845 -24.193 1.00 0.00 C ATOM 541 CD PRO A 33 10.049 -7.776 -23.833 1.00 0.00 C ATOM 0 HA PRO A 33 10.529 -10.397 -22.207 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.360 -10.179 -25.248 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.245 -10.981 -24.161 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.558 -8.625 -25.139 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.272 -8.931 -23.438 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.465 -7.300 -24.721 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.593 -6.989 -23.233 1.00 0.00 H new ATOM 549 N ASP A 34 13.022 -10.074 -24.270 1.00 0.00 N ATOM 550 CA ASP A 34 14.255 -10.707 -24.724 1.00 0.00 C ATOM 551 C ASP A 34 15.429 -10.333 -23.827 1.00 0.00 C ATOM 552 O ASP A 34 16.584 -10.605 -24.155 1.00 0.00 O ATOM 553 CB ASP A 34 14.563 -10.307 -26.170 1.00 0.00 C ATOM 554 CG ASP A 34 13.543 -10.848 -27.163 1.00 0.00 C ATOM 555 OD1 ASP A 34 12.929 -11.847 -26.871 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.389 -10.257 -28.205 1.00 0.00 O1- ATOM 0 H ASP A 34 12.876 -9.130 -24.629 1.00 0.00 H new ATOM 0 HA ASP A 34 14.110 -11.786 -24.673 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.593 -9.220 -26.243 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.554 -10.672 -26.440 1.00 0.00 H new ATOM 561 N LYS A 35 15.126 -9.709 -22.694 1.00 0.00 N ATOM 562 CA LYS A 35 16.154 -9.315 -21.739 1.00 0.00 C ATOM 563 C LYS A 35 15.905 -9.942 -20.372 1.00 0.00 C ATOM 564 O LYS A 35 16.839 -10.373 -19.697 1.00 0.00 O ATOM 565 CB LYS A 35 16.215 -7.792 -21.614 1.00 0.00 C ATOM 566 CG LYS A 35 16.644 -7.074 -22.887 1.00 0.00 C ATOM 567 CD LYS A 35 18.070 -7.437 -23.272 1.00 0.00 C ATOM 568 CE LYS A 35 18.530 -6.658 -24.495 1.00 0.00 C ATOM 569 NZ LYS A 35 19.916 -7.021 -24.899 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.176 -9.465 -22.415 1.00 0.00 H new ATOM 0 HA LYS A 35 17.112 -9.678 -22.112 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.233 -7.424 -21.317 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.908 -7.533 -20.814 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.967 -7.336 -23.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.567 -5.996 -22.743 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.738 -7.232 -22.435 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.133 -8.506 -23.475 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.849 -6.850 -25.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.482 -5.590 -24.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.190 -6.467 -25.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.571 -6.814 -24.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.957 -8.035 -25.126 1.00 0.00 H new ATOM 583 N ASN A 36 14.639 -9.989 -19.971 1.00 0.00 N ATOM 584 CA ASN A 36 14.270 -10.520 -18.664 1.00 0.00 C ATOM 585 C ASN A 36 12.920 -11.224 -18.717 1.00 0.00 C ATOM 586 O ASN A 36 11.905 -10.617 -19.060 1.00 0.00 O ATOM 587 CB ASN A 36 14.254 -9.415 -17.623 1.00 0.00 C ATOM 588 CG ASN A 36 13.984 -9.931 -16.237 1.00 0.00 C ATOM 589 OD1 ASN A 36 12.912 -10.482 -15.965 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.936 -9.763 -15.356 1.00 0.00 N ATOM 0 H ASN A 36 13.851 -9.666 -20.532 1.00 0.00 H new ATOM 0 HA ASN A 36 15.022 -11.256 -18.377 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.213 -8.897 -17.634 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.493 -8.682 -17.889 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.809 -10.093 -14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.805 -9.302 -15.626 1.00 0.00 H new ATOM 597 N LYS A 37 12.914 -12.509 -18.376 1.00 0.00 N ATOM 598 CA LYS A 37 11.670 -13.242 -18.175 1.00 0.00 C ATOM 599 C LYS A 37 11.694 -14.017 -16.864 1.00 0.00 C ATOM 600 O LYS A 37 12.009 -15.207 -16.841 1.00 0.00 O ATOM 601 CB LYS A 37 11.415 -14.194 -19.344 1.00 0.00 C ATOM 602 CG LYS A 37 11.190 -13.502 -20.682 1.00 0.00 C ATOM 603 CD LYS A 37 10.879 -14.508 -21.780 1.00 0.00 C ATOM 604 CE LYS A 37 12.119 -15.295 -22.178 1.00 0.00 C ATOM 605 NZ LYS A 37 11.871 -16.165 -23.360 1.00 0.00 N1+ ATOM 0 H LYS A 37 13.758 -13.064 -18.233 1.00 0.00 H new ATOM 0 HA LYS A 37 10.859 -12.516 -18.127 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.264 -14.871 -19.437 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.543 -14.806 -19.114 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.368 -12.792 -20.593 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.078 -12.929 -20.951 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.104 -15.195 -21.438 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.481 -13.987 -22.651 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.931 -14.603 -22.401 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.444 -15.909 -21.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.741 -16.683 -23.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.113 -16.842 -23.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.586 -15.578 -24.169 1.00 0.00 H new ATOM 619 N GLU A 38 11.358 -13.336 -15.774 1.00 0.00 N ATOM 620 CA GLU A 38 11.467 -13.920 -14.442 1.00 0.00 C ATOM 621 C GLU A 38 10.132 -13.871 -13.709 1.00 0.00 C ATOM 622 O GLU A 38 9.300 -13.003 -13.972 1.00 0.00 O ATOM 623 CB GLU A 38 12.536 -13.191 -13.625 1.00 0.00 C ATOM 624 CG GLU A 38 13.952 -13.342 -14.165 1.00 0.00 C ATOM 625 CD GLU A 38 14.981 -12.658 -13.309 1.00 0.00 C ATOM 626 OE1 GLU A 38 14.826 -11.489 -13.047 1.00 0.00 O ATOM 627 OE2 GLU A 38 15.922 -13.305 -12.916 1.00 0.00 O1- ATOM 0 H GLU A 38 11.008 -12.378 -15.787 1.00 0.00 H new ATOM 0 HA GLU A 38 11.757 -14.964 -14.559 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.286 -12.131 -13.586 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.509 -13.562 -12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.196 -14.402 -14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.996 -12.933 -15.174 1.00 0.00 H new ATOM 634 N PRO A 39 9.935 -14.807 -12.787 1.00 0.00 N ATOM 635 CA PRO A 39 8.739 -14.822 -11.954 1.00 0.00 C ATOM 636 C PRO A 39 8.571 -13.504 -11.208 1.00 0.00 C ATOM 637 O PRO A 39 9.414 -13.130 -10.393 1.00 0.00 O ATOM 638 CB PRO A 39 9.001 -15.986 -10.993 1.00 0.00 C ATOM 639 CG PRO A 39 9.935 -16.874 -11.742 1.00 0.00 C ATOM 640 CD PRO A 39 10.842 -15.925 -12.481 1.00 0.00 C ATOM 0 HA PRO A 39 7.818 -14.943 -12.524 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.443 -15.640 -10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.078 -16.505 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.499 -17.518 -11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.397 -17.527 -12.430 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.687 -15.609 -11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.254 -16.375 -13.384 1.00 0.00 H new ATOM 648 N GLY A 40 7.477 -12.805 -11.491 1.00 0.00 N ATOM 649 CA GLY A 40 7.189 -11.536 -10.834 1.00 0.00 C ATOM 650 C GLY A 40 7.637 -10.358 -11.691 1.00 0.00 C ATOM 651 O GLY A 40 7.152 -9.239 -11.527 1.00 0.00 O ATOM 0 H GLY A 40 6.775 -13.096 -12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.120 -11.460 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.694 -11.500 -9.869 1.00 0.00 H new ATOM 655 N ALA A 41 8.565 -10.618 -12.606 1.00 0.00 N ATOM 656 CA ALA A 41 9.098 -9.575 -13.474 1.00 0.00 C ATOM 657 C ALA A 41 8.009 -8.989 -14.364 1.00 0.00 C ATOM 658 O ALA A 41 8.006 -7.793 -14.653 1.00 0.00 O ATOM 659 CB ALA A 41 10.236 -10.123 -14.322 1.00 0.00 C ATOM 0 H ALA A 41 8.964 -11.543 -12.765 1.00 0.00 H new ATOM 0 HA ALA A 41 9.483 -8.775 -12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.624 -9.333 -14.965 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.032 -10.485 -13.672 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.868 -10.944 -14.938 1.00 0.00 H new ATOM 665 N GLU A 42 7.085 -9.840 -14.797 1.00 0.00 N ATOM 666 CA GLU A 42 5.893 -9.383 -15.501 1.00 0.00 C ATOM 667 C GLU A 42 5.158 -8.313 -14.703 1.00 0.00 C ATOM 668 O GLU A 42 4.738 -7.294 -15.252 1.00 0.00 O ATOM 669 CB GLU A 42 4.955 -10.559 -15.781 1.00 0.00 C ATOM 670 CG GLU A 42 3.680 -10.184 -16.525 1.00 0.00 C ATOM 671 CD GLU A 42 2.804 -11.369 -16.819 1.00 0.00 C ATOM 672 OE1 GLU A 42 3.200 -12.468 -16.511 1.00 0.00 O ATOM 673 OE2 GLU A 42 1.737 -11.176 -17.352 1.00 0.00 O1- ATOM 0 H GLU A 42 7.139 -10.851 -14.672 1.00 0.00 H new ATOM 0 HA GLU A 42 6.212 -8.947 -16.447 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.494 -11.307 -16.363 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.685 -11.026 -14.834 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.119 -9.462 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.943 -9.692 -17.461 1.00 0.00 H new ATOM 680 N GLU A 43 5.006 -8.551 -13.405 1.00 0.00 N ATOM 681 CA GLU A 43 4.352 -7.592 -12.521 1.00 0.00 C ATOM 682 C GLU A 43 5.257 -6.401 -12.235 1.00 0.00 C ATOM 683 O GLU A 43 4.786 -5.275 -12.079 1.00 0.00 O ATOM 684 CB GLU A 43 3.949 -8.266 -11.208 1.00 0.00 C ATOM 685 CG GLU A 43 2.899 -9.358 -11.359 1.00 0.00 C ATOM 686 CD GLU A 43 1.600 -8.848 -11.916 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.125 -7.844 -11.441 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.081 -9.462 -12.818 1.00 0.00 O1- ATOM 0 H GLU A 43 5.327 -9.401 -12.941 1.00 0.00 H new ATOM 0 HA GLU A 43 3.457 -7.229 -13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.838 -8.695 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.570 -7.506 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.287 -10.140 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.717 -9.816 -10.387 1.00 0.00 H new ATOM 695 N LYS A 44 6.560 -6.656 -12.167 1.00 0.00 N ATOM 696 CA LYS A 44 7.541 -5.592 -11.993 1.00 0.00 C ATOM 697 C LYS A 44 7.581 -4.675 -13.209 1.00 0.00 C ATOM 698 O LYS A 44 7.905 -3.494 -13.096 1.00 0.00 O ATOM 699 CB LYS A 44 8.927 -6.180 -11.730 1.00 0.00 C ATOM 700 CG LYS A 44 9.076 -6.862 -10.378 1.00 0.00 C ATOM 701 CD LYS A 44 10.466 -7.458 -10.208 1.00 0.00 C ATOM 702 CE LYS A 44 10.614 -8.145 -8.858 1.00 0.00 C ATOM 703 NZ LYS A 44 11.965 -8.744 -8.684 1.00 0.00 N1+ ATOM 0 H LYS A 44 6.961 -7.592 -12.230 1.00 0.00 H new ATOM 0 HA LYS A 44 7.240 -4.998 -11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.157 -6.901 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.666 -5.383 -11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.887 -6.141 -9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.327 -7.648 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.656 -8.176 -11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.215 -6.671 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.432 -7.423 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.857 -8.923 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.024 -9.202 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.130 -9.451 -9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.687 -7.998 -8.750 1.00 0.00 H new ATOM 717 N PHE A 45 7.251 -5.229 -14.371 1.00 0.00 N ATOM 718 CA PHE A 45 7.128 -4.436 -15.589 1.00 0.00 C ATOM 719 C PHE A 45 5.833 -3.635 -15.598 1.00 0.00 C ATOM 720 O PHE A 45 5.788 -2.513 -16.102 1.00 0.00 O ATOM 721 CB PHE A 45 7.185 -5.339 -16.823 1.00 0.00 C ATOM 722 CG PHE A 45 7.439 -4.598 -18.105 1.00 0.00 C ATOM 723 CD1 PHE A 45 7.588 -3.220 -18.109 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.527 -5.279 -19.310 1.00 0.00 C ATOM 725 CE1 PHE A 45 7.822 -2.538 -19.287 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.761 -4.599 -20.490 1.00 0.00 C ATOM 727 CZ PHE A 45 7.908 -3.228 -20.478 1.00 0.00 C ATOM 0 H PHE A 45 7.064 -6.224 -14.495 1.00 0.00 H new ATOM 0 HA PHE A 45 7.965 -3.738 -15.615 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.970 -6.082 -16.682 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.244 -5.882 -16.908 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.520 -2.673 -17.180 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.411 -6.353 -19.326 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.938 -1.464 -19.275 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.829 -5.141 -21.422 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.090 -2.695 -21.400 1.00 0.00 H new ATOM 737 N LYS A 46 4.780 -4.219 -15.036 1.00 0.00 N ATOM 738 CA LYS A 46 3.539 -3.491 -14.793 1.00 0.00 C ATOM 739 C LYS A 46 3.756 -2.344 -13.815 1.00 0.00 C ATOM 740 O LYS A 46 3.198 -1.260 -13.982 1.00 0.00 O ATOM 741 CB LYS A 46 2.459 -4.436 -14.265 1.00 0.00 C ATOM 742 CG LYS A 46 1.941 -5.436 -15.290 1.00 0.00 C ATOM 743 CD LYS A 46 0.911 -6.373 -14.677 1.00 0.00 C ATOM 744 CE LYS A 46 0.504 -7.466 -15.653 1.00 0.00 C ATOM 745 NZ LYS A 46 -0.431 -8.445 -15.036 1.00 0.00 N1+ ATOM 0 H LYS A 46 4.761 -5.195 -14.740 1.00 0.00 H new ATOM 0 HA LYS A 46 3.207 -3.070 -15.742 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.858 -4.983 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.621 -3.842 -13.899 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.496 -4.902 -16.129 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.773 -6.017 -15.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.320 -6.824 -13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.031 -5.803 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.032 -7.015 -16.526 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.394 -7.987 -16.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.670 -9.182 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.021 -8.882 -14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.299 -7.956 -14.738 1.00 0.00 H new ATOM 759 N GLU A 47 4.572 -2.589 -12.795 1.00 0.00 N ATOM 760 CA GLU A 47 4.981 -1.539 -11.872 1.00 0.00 C ATOM 761 C GLU A 47 5.644 -0.383 -12.611 1.00 0.00 C ATOM 762 O GLU A 47 5.475 0.780 -12.245 1.00 0.00 O ATOM 763 CB GLU A 47 5.939 -2.098 -10.817 1.00 0.00 C ATOM 764 CG GLU A 47 5.274 -2.986 -9.774 1.00 0.00 C ATOM 765 CD GLU A 47 6.254 -3.569 -8.793 1.00 0.00 C ATOM 766 OE1 GLU A 47 7.428 -3.555 -9.077 1.00 0.00 O ATOM 767 OE2 GLU A 47 5.827 -4.030 -7.761 1.00 0.00 O1- ATOM 0 H GLU A 47 4.963 -3.508 -12.587 1.00 0.00 H new ATOM 0 HA GLU A 47 4.085 -1.163 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.720 -2.669 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.428 -1.266 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.527 -2.406 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.745 -3.796 -10.277 1.00 0.00 H new ATOM 774 N ILE A 48 6.401 -0.711 -13.654 1.00 0.00 N ATOM 775 CA ILE A 48 6.950 0.299 -14.550 1.00 0.00 C ATOM 776 C ILE A 48 5.859 0.923 -15.411 1.00 0.00 C ATOM 777 O ILE A 48 5.826 2.139 -15.605 1.00 0.00 O ATOM 778 CB ILE A 48 8.039 -0.303 -15.456 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.206 -0.823 -14.614 1.00 0.00 C ATOM 780 CG2 ILE A 48 8.523 0.728 -16.463 1.00 0.00 C ATOM 781 CD1 ILE A 48 9.897 0.247 -13.799 1.00 0.00 C ATOM 0 H ILE A 48 6.648 -1.670 -13.899 1.00 0.00 H new ATOM 0 HA ILE A 48 7.394 1.077 -13.929 1.00 0.00 H new ATOM 0 HB ILE A 48 7.609 -1.142 -16.004 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.839 -1.598 -13.941 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.936 -1.292 -15.273 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.293 0.286 -17.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.687 1.052 -17.082 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.937 1.586 -15.934 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.712 -0.199 -13.230 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.296 1.012 -14.466 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.182 0.701 -13.113 1.00 0.00 H new ATOM 793 N ALA A 49 4.968 0.083 -15.928 1.00 0.00 N ATOM 794 CA ALA A 49 3.815 0.560 -16.684 1.00 0.00 C ATOM 795 C ALA A 49 3.110 1.697 -15.957 1.00 0.00 C ATOM 796 O ALA A 49 2.968 2.796 -16.494 1.00 0.00 O ATOM 797 CB ALA A 49 2.845 -0.583 -16.945 1.00 0.00 C ATOM 0 H ALA A 49 5.022 -0.932 -15.837 1.00 0.00 H new ATOM 0 HA ALA A 49 4.174 0.944 -17.639 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.990 -0.212 -17.510 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.347 -1.363 -17.517 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.502 -0.993 -15.995 1.00 0.00 H new ATOM 803 N GLU A 50 2.672 1.428 -14.732 1.00 0.00 N ATOM 804 CA GLU A 50 1.912 2.403 -13.959 1.00 0.00 C ATOM 805 C GLU A 50 2.794 3.563 -13.516 1.00 0.00 C ATOM 806 O GLU A 50 2.343 4.707 -13.446 1.00 0.00 O ATOM 807 CB GLU A 50 1.277 1.737 -12.736 1.00 0.00 C ATOM 808 CG GLU A 50 0.402 2.660 -11.901 1.00 0.00 C ATOM 809 CD GLU A 50 -0.359 1.931 -10.828 1.00 0.00 C ATOM 810 OE1 GLU A 50 0.267 1.345 -9.977 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.567 1.961 -10.859 1.00 0.00 O1- ATOM 0 H GLU A 50 2.831 0.542 -14.253 1.00 0.00 H new ATOM 0 HA GLU A 50 1.125 2.796 -14.602 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.677 0.890 -13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.069 1.337 -12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.026 3.426 -11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.303 3.174 -12.554 1.00 0.00 H new ATOM 818 N ALA A 51 4.053 3.261 -13.217 1.00 0.00 N ATOM 819 CA ALA A 51 5.043 4.295 -12.942 1.00 0.00 C ATOM 820 C ALA A 51 5.067 5.344 -14.046 1.00 0.00 C ATOM 821 O ALA A 51 4.765 6.513 -13.811 1.00 0.00 O ATOM 822 CB ALA A 51 6.423 3.676 -12.772 1.00 0.00 C ATOM 0 H ALA A 51 4.412 2.308 -13.159 1.00 0.00 H new ATOM 0 HA ALA A 51 4.761 4.790 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.151 4.461 -12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.406 2.971 -11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.702 3.152 -13.686 1.00 0.00 H new ATOM 828 N TYR A 52 5.428 4.918 -15.252 1.00 0.00 N ATOM 829 CA TYR A 52 5.457 5.812 -16.404 1.00 0.00 C ATOM 830 C TYR A 52 4.064 6.341 -16.725 1.00 0.00 C ATOM 831 O TYR A 52 3.899 7.512 -17.066 1.00 0.00 O ATOM 832 CB TYR A 52 6.048 5.098 -17.621 1.00 0.00 C ATOM 833 CG TYR A 52 6.434 6.030 -18.748 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.363 7.037 -18.528 1.00 0.00 C ATOM 835 CD2 TYR A 52 5.860 5.879 -20.001 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.716 7.888 -19.556 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.212 6.730 -21.030 1.00 0.00 C ATOM 838 CZ TYR A 52 7.137 7.731 -20.810 1.00 0.00 C ATOM 839 OH TYR A 52 7.488 8.580 -21.836 1.00 0.00 O ATOM 0 H TYR A 52 5.705 3.958 -15.457 1.00 0.00 H new ATOM 0 HA TYR A 52 6.092 6.662 -16.153 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.928 4.536 -17.309 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.323 4.374 -17.993 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.810 7.155 -17.552 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.137 5.095 -20.172 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.439 8.672 -19.387 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.764 6.613 -22.006 1.00 0.00 H new ATOM 0 HH TYR A 52 6.994 8.335 -22.646 1.00 0.00 H new ATOM 849 N ASP A 53 3.067 5.471 -16.614 1.00 0.00 N ATOM 850 CA ASP A 53 1.672 5.889 -16.696 1.00 0.00 C ATOM 851 C ASP A 53 1.441 7.184 -15.928 1.00 0.00 C ATOM 852 O ASP A 53 0.874 8.139 -16.460 1.00 0.00 O ATOM 853 CB ASP A 53 0.751 4.794 -16.152 1.00 0.00 C ATOM 854 CG ASP A 53 -0.722 5.072 -16.420 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.048 5.425 -17.530 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.507 4.929 -15.513 1.00 0.00 O1- ATOM 0 H ASP A 53 3.199 4.470 -16.467 1.00 0.00 H new ATOM 0 HA ASP A 53 1.439 6.063 -17.746 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.023 3.840 -16.603 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.907 4.695 -15.078 1.00 0.00 H new ATOM 861 N VAL A 54 1.881 7.210 -14.675 1.00 0.00 N ATOM 862 CA VAL A 54 1.895 8.441 -13.893 1.00 0.00 C ATOM 863 C VAL A 54 2.795 9.490 -14.533 1.00 0.00 C ATOM 864 O VAL A 54 2.415 10.654 -14.658 1.00 0.00 O ATOM 865 CB VAL A 54 2.382 8.158 -12.459 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.692 9.459 -11.735 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.330 7.357 -11.705 1.00 0.00 C ATOM 0 H VAL A 54 2.233 6.392 -14.178 1.00 0.00 H new ATOM 0 HA VAL A 54 0.876 8.826 -13.864 1.00 0.00 H new ATOM 0 HB VAL A 54 3.300 7.572 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.035 9.240 -10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.471 9.998 -12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.792 10.073 -11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.680 7.160 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.401 7.925 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.155 6.412 -12.219 1.00 0.00 H new ATOM 877 N LEU A 55 3.989 9.071 -14.938 1.00 0.00 N ATOM 878 CA LEU A 55 5.032 10.005 -15.344 1.00 0.00 C ATOM 879 C LEU A 55 4.954 10.304 -16.835 1.00 0.00 C ATOM 880 O LEU A 55 5.832 10.960 -17.394 1.00 0.00 O ATOM 881 CB LEU A 55 6.415 9.438 -15.001 1.00 0.00 C ATOM 882 CG LEU A 55 6.625 9.036 -13.536 1.00 0.00 C ATOM 883 CD1 LEU A 55 8.041 8.509 -13.351 1.00 0.00 C ATOM 884 CD2 LEU A 55 6.366 10.236 -12.638 1.00 0.00 C ATOM 0 H LEU A 55 4.259 8.089 -14.994 1.00 0.00 H new ATOM 0 HA LEU A 55 4.877 10.936 -14.798 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.595 8.564 -15.627 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.168 10.181 -15.266 1.00 0.00 H new ATOM 0 HG LEU A 55 5.926 8.245 -13.263 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.190 8.223 -12.310 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.192 7.640 -13.991 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.756 9.286 -13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.515 9.950 -11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.056 11.039 -12.896 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.341 10.580 -12.777 1.00 0.00 H new ATOM 896 N SER A 56 3.897 9.817 -17.476 1.00 0.00 N ATOM 897 CA SER A 56 3.608 10.175 -18.861 1.00 0.00 C ATOM 898 C SER A 56 2.208 10.760 -18.998 1.00 0.00 C ATOM 899 O SER A 56 1.977 11.656 -19.810 1.00 0.00 O ATOM 900 CB SER A 56 3.747 8.958 -19.753 1.00 0.00 C ATOM 901 OG SER A 56 2.803 7.978 -19.418 1.00 0.00 O ATOM 0 H SER A 56 3.225 9.173 -17.059 1.00 0.00 H new ATOM 0 HA SER A 56 4.327 10.934 -19.170 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.619 9.250 -20.795 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.752 8.547 -19.659 1.00 0.00 H new ATOM 0 HG SER A 56 2.839 7.805 -18.454 1.00 0.00 H new ATOM 907 N ASP A 57 1.278 10.249 -18.200 1.00 0.00 N ATOM 908 CA ASP A 57 -0.118 10.663 -18.286 1.00 0.00 C ATOM 909 C ASP A 57 -0.510 11.528 -17.095 1.00 0.00 C ATOM 910 O ASP A 57 -0.504 11.067 -15.953 1.00 0.00 O ATOM 911 CB ASP A 57 -1.037 9.442 -18.361 1.00 0.00 C ATOM 912 CG ASP A 57 -2.484 9.806 -18.661 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.834 10.951 -18.497 1.00 0.00 O ATOM 914 OD2 ASP A 57 -3.226 8.936 -19.050 1.00 0.00 O1- ATOM 0 H ASP A 57 1.465 9.546 -17.485 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.232 11.253 -19.195 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.671 8.765 -19.133 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.992 8.902 -17.415 1.00 0.00 H new ATOM 919 N PRO A 58 -0.850 12.783 -17.368 1.00 0.00 N ATOM 920 CA PRO A 58 -1.132 13.747 -16.312 1.00 0.00 C ATOM 921 C PRO A 58 -2.310 13.298 -15.456 1.00 0.00 C ATOM 922 O PRO A 58 -2.527 13.817 -14.360 1.00 0.00 O ATOM 923 CB PRO A 58 -1.455 15.027 -17.090 1.00 0.00 C ATOM 924 CG PRO A 58 -0.694 14.881 -18.363 1.00 0.00 C ATOM 925 CD PRO A 58 -0.802 13.418 -18.699 1.00 0.00 C ATOM 0 HA PRO A 58 -0.306 13.873 -15.612 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.525 15.122 -17.274 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.146 15.916 -16.541 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.117 15.502 -19.152 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.346 15.185 -18.241 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.696 13.202 -19.284 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.051 13.072 -19.282 1.00 0.00 H new ATOM 933 N ARG A 59 -3.068 12.331 -15.962 1.00 0.00 N ATOM 934 CA ARG A 59 -4.316 11.926 -15.327 1.00 0.00 C ATOM 935 C ARG A 59 -4.054 11.047 -14.111 1.00 0.00 C ATOM 936 O ARG A 59 -4.889 10.953 -13.210 1.00 0.00 O ATOM 937 CB ARG A 59 -5.198 11.172 -16.313 1.00 0.00 C ATOM 938 CG ARG A 59 -5.782 12.024 -17.428 1.00 0.00 C ATOM 939 CD ARG A 59 -6.660 11.229 -18.325 1.00 0.00 C ATOM 940 NE ARG A 59 -5.908 10.241 -19.082 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.458 9.329 -19.908 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.762 9.292 -20.070 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.686 8.473 -20.553 1.00 0.00 N ATOM 0 H ARG A 59 -2.839 11.813 -16.811 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.828 12.832 -15.002 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.614 10.366 -16.758 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.017 10.707 -15.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.352 12.847 -16.997 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.973 12.467 -18.009 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.425 10.727 -17.733 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.177 11.898 -19.013 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.893 10.238 -18.981 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.357 9.953 -19.571 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.179 8.602 -20.695 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.674 8.502 -20.426 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.101 7.782 -21.178 1.00 0.00 H new ATOM 957 N LYS A 60 -2.892 10.405 -14.090 1.00 0.00 N ATOM 958 CA LYS A 60 -2.439 9.679 -12.909 1.00 0.00 C ATOM 959 C LYS A 60 -1.304 10.417 -12.209 1.00 0.00 C ATOM 960 O LYS A 60 -0.923 10.072 -11.091 1.00 0.00 O ATOM 961 CB LYS A 60 -1.992 8.266 -13.288 1.00 0.00 C ATOM 962 CG LYS A 60 -3.066 7.428 -13.968 1.00 0.00 C ATOM 963 CD LYS A 60 -3.073 7.653 -15.473 1.00 0.00 C ATOM 964 CE LYS A 60 -4.075 6.741 -16.165 1.00 0.00 C ATOM 965 NZ LYS A 60 -3.728 6.517 -17.595 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.245 10.372 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.279 9.612 -12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.129 8.336 -13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.661 7.749 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.895 6.372 -13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.043 7.681 -13.556 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.318 8.694 -15.686 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.076 7.472 -15.874 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.112 5.783 -15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.071 7.179 -16.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.462 5.932 -18.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.667 7.432 -18.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.811 6.030 -17.658 1.00 0.00 H new ATOM 979 N ARG A 61 -0.769 11.435 -12.875 1.00 0.00 N ATOM 980 CA ARG A 61 0.216 12.319 -12.261 1.00 0.00 C ATOM 981 C ARG A 61 -0.344 12.981 -11.010 1.00 0.00 C ATOM 982 O ARG A 61 0.181 12.801 -9.912 1.00 0.00 O ATOM 983 CB ARG A 61 0.660 13.390 -13.245 1.00 0.00 C ATOM 984 CG ARG A 61 1.687 14.371 -12.702 1.00 0.00 C ATOM 985 CD ARG A 61 1.677 15.651 -13.456 1.00 0.00 C ATOM 986 NE ARG A 61 0.376 16.298 -13.407 1.00 0.00 N ATOM 987 CZ ARG A 61 -0.133 16.911 -12.321 1.00 0.00 C ATOM 988 NH1 ARG A 61 0.559 16.953 -11.204 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 -1.329 17.472 -12.379 1.00 0.00 N ATOM 0 H ARG A 61 -1.001 11.669 -13.840 1.00 0.00 H new ATOM 0 HA ARG A 61 1.075 11.709 -11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.075 12.903 -14.127 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.217 13.948 -13.572 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.482 14.567 -11.650 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.680 13.925 -12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.432 16.321 -13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.950 15.463 -14.494 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.191 16.287 -14.255 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.482 16.521 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.173 17.417 -10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.866 17.440 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.715 17.936 -11.557 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.414 13.752 -11.183 1.00 0.00 N ATOM 1004 CA GLU A 62 -2.053 14.435 -10.065 1.00 0.00 C ATOM 1005 C GLU A 62 -2.375 13.464 -8.937 1.00 0.00 C ATOM 1006 O GLU A 62 -2.202 13.784 -7.760 1.00 0.00 O ATOM 1007 CB GLU A 62 -3.333 15.133 -10.530 1.00 0.00 C ATOM 1008 CG GLU A 62 -4.083 15.870 -9.428 1.00 0.00 C ATOM 1009 CD GLU A 62 -3.318 17.043 -8.884 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -2.527 17.601 -9.606 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -3.524 17.383 -7.742 1.00 0.00 O1- ATOM 0 H GLU A 62 -1.856 13.919 -12.087 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.354 15.181 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.080 15.842 -11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.998 14.390 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.041 16.216 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.300 15.176 -8.616 1.00 0.00 H new ATOM 1018 N ILE A 63 -2.844 12.275 -9.301 1.00 0.00 N ATOM 1019 CA ILE A 63 -3.315 11.304 -8.321 1.00 0.00 C ATOM 1020 C ILE A 63 -2.159 10.747 -7.500 1.00 0.00 C ATOM 1021 O ILE A 63 -2.038 11.029 -6.308 1.00 0.00 O ATOM 1022 CB ILE A 63 -4.061 10.147 -9.009 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.361 10.650 -9.641 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.345 9.031 -8.015 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -6.034 9.641 -10.544 1.00 0.00 C ATOM 0 H ILE A 63 -2.908 11.961 -10.269 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.002 11.823 -7.653 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.426 9.748 -9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.054 10.932 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.149 11.552 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.873 8.221 -8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.405 8.655 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.961 9.416 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.948 10.072 -10.953 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.361 9.376 -11.359 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.279 8.747 -9.971 1.00 0.00 H new ATOM 1037 N PHE A 64 -1.310 9.952 -8.144 1.00 0.00 N ATOM 1038 CA PHE A 64 -0.098 9.450 -7.509 1.00 0.00 C ATOM 1039 C PHE A 64 0.594 10.542 -6.704 1.00 0.00 C ATOM 1040 O PHE A 64 0.828 10.388 -5.505 1.00 0.00 O ATOM 1041 CB PHE A 64 0.866 8.897 -8.561 1.00 0.00 C ATOM 1042 CG PHE A 64 2.213 8.522 -8.011 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.386 7.337 -7.312 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.308 9.353 -8.190 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.625 6.990 -6.805 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.547 9.010 -7.686 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.705 7.826 -6.992 1.00 0.00 C ATOM 0 H PHE A 64 -1.440 9.642 -9.107 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.387 8.649 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.417 8.020 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.999 9.642 -9.346 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.544 6.678 -7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.191 10.281 -8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.746 6.064 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.392 9.667 -7.834 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.673 7.556 -6.597 1.00 0.00 H new ATOM 1057 N ASP A 65 0.920 11.646 -7.368 1.00 0.00 N ATOM 1058 CA ASP A 65 1.636 12.742 -6.728 1.00 0.00 C ATOM 1059 C ASP A 65 0.909 13.218 -5.476 1.00 0.00 C ATOM 1060 O ASP A 65 1.528 13.449 -4.438 1.00 0.00 O ATOM 1061 CB ASP A 65 1.806 13.912 -7.701 1.00 0.00 C ATOM 1062 CG ASP A 65 2.638 15.048 -7.121 1.00 0.00 C ATOM 1063 OD1 ASP A 65 3.746 14.796 -6.708 1.00 0.00 O ATOM 1064 OD2 ASP A 65 2.159 16.155 -7.098 1.00 0.00 O1- ATOM 0 H ASP A 65 0.699 11.805 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 65 2.619 12.370 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.278 13.552 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.823 14.293 -7.979 1.00 0.00 H new ATOM 1069 N ARG A 66 -0.408 13.362 -5.581 1.00 0.00 N ATOM 1070 CA ARG A 66 -1.207 13.917 -4.495 1.00 0.00 C ATOM 1071 C ARG A 66 -1.253 12.969 -3.305 1.00 0.00 C ATOM 1072 O ARG A 66 -0.941 13.355 -2.178 1.00 0.00 O ATOM 1073 CB ARG A 66 -2.624 14.205 -4.966 1.00 0.00 C ATOM 1074 CG ARG A 66 -3.527 14.848 -3.926 1.00 0.00 C ATOM 1075 CD ARG A 66 -3.055 16.208 -3.557 1.00 0.00 C ATOM 1076 NE ARG A 66 -3.033 17.104 -4.702 1.00 0.00 N ATOM 1077 CZ ARG A 66 -2.538 18.357 -4.683 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -2.029 18.847 -3.574 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -2.564 19.093 -5.780 1.00 0.00 N ATOM 0 H ARG A 66 -0.945 13.102 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.734 14.848 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.576 14.858 -5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.079 13.270 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.544 14.908 -4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.562 14.220 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.705 16.621 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.055 16.141 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.419 16.760 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.009 18.278 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.654 19.796 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.959 18.712 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.190 20.042 -5.767 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.644 11.725 -3.561 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.779 10.731 -2.502 1.00 0.00 C ATOM 1095 C TYR A 67 -0.870 9.535 -2.749 1.00 0.00 C ATOM 1096 O TYR A 67 -0.198 9.055 -1.837 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.235 10.275 -2.380 1.00 0.00 C ATOM 1098 CG TYR A 67 -4.199 11.392 -2.048 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -5.179 11.757 -2.960 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -4.104 12.052 -0.832 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -6.059 12.777 -2.657 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -4.985 13.072 -0.529 1.00 0.00 C ATOM 1103 CZ TYR A 67 -5.959 13.435 -1.436 1.00 0.00 C ATOM 1104 OH TYR A 67 -6.836 14.451 -1.134 1.00 0.00 O ATOM 0 H TYR A 67 -1.873 11.381 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.476 11.197 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.540 9.811 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.302 9.508 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.253 11.243 -3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.341 11.769 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.822 13.063 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.911 13.585 0.418 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.632 14.805 -0.243 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.854 9.056 -3.989 1.00 0.00 N ATOM 1115 CA GLY A 68 -0.103 7.857 -4.338 1.00 0.00 C ATOM 1116 C GLY A 68 -1.028 6.754 -4.836 1.00 0.00 C ATOM 1117 O GLY A 68 -1.843 6.972 -5.731 1.00 0.00 O ATOM 0 H GLY A 68 -1.354 9.481 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.631 8.095 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.451 7.505 -3.468 1.00 0.00 H new ATOM 1121 N GLU A 69 -0.895 5.568 -4.251 1.00 0.00 N ATOM 1122 CA GLU A 69 -1.700 4.420 -4.653 1.00 0.00 C ATOM 1123 C GLU A 69 -3.058 4.433 -3.966 1.00 0.00 C ATOM 1124 O GLU A 69 -3.933 3.627 -4.285 1.00 0.00 O ATOM 1125 CB GLU A 69 -0.966 3.116 -4.333 1.00 0.00 C ATOM 1126 CG GLU A 69 0.350 2.937 -5.076 1.00 0.00 C ATOM 1127 CD GLU A 69 1.105 1.711 -4.640 1.00 0.00 C ATOM 1128 OE1 GLU A 69 0.553 0.926 -3.907 1.00 0.00 O ATOM 1129 OE2 GLU A 69 2.235 1.560 -5.041 1.00 0.00 O1- ATOM 0 H GLU A 69 -0.236 5.377 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.860 4.485 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.772 3.076 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.620 2.277 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.152 2.874 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.973 3.817 -4.918 1.00 0.00 H new ATOM 1136 N GLU A 70 -3.230 5.350 -3.021 1.00 0.00 N ATOM 1137 CA GLU A 70 -4.452 5.415 -2.228 1.00 0.00 C ATOM 1138 C GLU A 70 -5.659 5.730 -3.102 1.00 0.00 C ATOM 1139 O GLU A 70 -6.775 5.297 -2.816 1.00 0.00 O ATOM 1140 CB GLU A 70 -4.318 6.469 -1.127 1.00 0.00 C ATOM 1141 CG GLU A 70 -3.272 6.145 -0.069 1.00 0.00 C ATOM 1142 CD GLU A 70 -3.202 7.178 1.020 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -3.745 8.241 0.840 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -2.603 6.904 2.034 1.00 0.00 O1- ATOM 0 H GLU A 70 -2.537 6.060 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.605 4.437 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.069 7.426 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.285 6.592 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.497 5.174 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.295 6.060 -0.545 1.00 0.00 H new ATOM 1151 N GLY A 71 -5.428 6.488 -4.169 1.00 0.00 N ATOM 1152 CA GLY A 71 -6.510 6.933 -5.041 1.00 0.00 C ATOM 1153 C GLY A 71 -6.385 6.320 -6.430 1.00 0.00 C ATOM 1154 O GLY A 71 -7.360 6.247 -7.177 1.00 0.00 O ATOM 0 H GLY A 71 -4.501 6.807 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.470 6.657 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.495 8.020 -5.118 1.00 0.00 H new ATOM 1158 N LEU A 72 -5.177 5.882 -6.771 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.918 5.292 -8.079 1.00 0.00 C ATOM 1160 C LEU A 72 -5.375 3.839 -8.128 1.00 0.00 C ATOM 1161 O LEU A 72 -5.911 3.381 -9.137 1.00 0.00 O ATOM 1162 CB LEU A 72 -3.423 5.375 -8.411 1.00 0.00 C ATOM 1163 CG LEU A 72 -3.022 4.879 -9.807 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -3.867 5.586 -10.858 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -1.541 5.138 -10.031 1.00 0.00 C ATOM 0 H LEU A 72 -4.362 5.925 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.485 5.856 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.104 6.412 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.872 4.798 -7.668 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.199 3.806 -9.888 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.583 5.234 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.921 5.369 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.703 6.662 -10.794 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.256 4.786 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.343 6.207 -9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.961 4.607 -9.277 1.00 0.00 H new ATOM 1177 N LYS A 73 -5.160 3.119 -7.033 1.00 0.00 N ATOM 1178 CA LYS A 73 -5.790 1.819 -6.835 1.00 0.00 C ATOM 1179 C LYS A 73 -7.116 1.955 -6.099 1.00 0.00 C ATOM 1180 O LYS A 73 -8.051 1.192 -6.339 1.00 0.00 O ATOM 1181 CB LYS A 73 -4.856 0.883 -6.067 1.00 0.00 C ATOM 1182 CG LYS A 73 -5.458 -0.477 -5.737 1.00 0.00 C ATOM 1183 CD LYS A 73 -4.411 -1.422 -5.168 1.00 0.00 C ATOM 1184 CE LYS A 73 -5.014 -2.777 -4.828 1.00 0.00 C ATOM 1185 NZ LYS A 73 -4.005 -3.705 -4.248 1.00 0.00 N1+ ATOM 0 H LYS A 73 -4.553 3.414 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.989 1.392 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.950 0.733 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.558 1.369 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.268 -0.354 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.893 -0.912 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.605 -1.551 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.970 -0.983 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.832 -2.643 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.440 -3.221 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.456 -4.616 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.236 -3.854 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.617 -3.294 -3.375 1.00 0.00 H new ATOM 1199 N GLY A 74 -7.191 2.931 -5.200 1.00 0.00 N ATOM 1200 CA GLY A 74 -8.327 3.053 -4.294 1.00 0.00 C ATOM 1201 C GLY A 74 -8.065 2.327 -2.981 1.00 0.00 C ATOM 1202 O GLY A 74 -8.997 1.888 -2.307 1.00 0.00 O ATOM 0 H GLY A 74 -6.477 3.650 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.527 4.106 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.219 2.643 -4.768 1.00 0.00 H new ATOM 1371 N SER A 91 -6.788 -4.832 -8.896 1.00 0.00 N ATOM 1372 CA SER A 91 -5.357 -4.557 -8.836 1.00 0.00 C ATOM 1373 C SER A 91 -5.076 -3.066 -8.979 1.00 0.00 C ATOM 1374 O SER A 91 -5.832 -2.232 -8.479 1.00 0.00 O ATOM 1375 CB SER A 91 -4.633 -5.322 -9.926 1.00 0.00 C ATOM 1376 OG SER A 91 -3.244 -5.185 -9.799 1.00 0.00 O ATOM 0 HA SER A 91 -4.993 -4.882 -7.861 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.904 -6.377 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.950 -4.957 -10.903 1.00 0.00 H new ATOM 0 HG SER A 91 -2.799 -5.689 -10.512 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.985 -2.737 -9.663 1.00 0.00 N ATOM 1383 CA TYR A 92 -3.600 -1.346 -9.868 1.00 0.00 C ATOM 1384 C TYR A 92 -4.059 -0.843 -11.230 1.00 0.00 C ATOM 1385 O TYR A 92 -4.335 -1.634 -12.134 1.00 0.00 O ATOM 1386 CB TYR A 92 -2.085 -1.184 -9.725 1.00 0.00 C ATOM 1387 CG TYR A 92 -1.588 -1.326 -8.304 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -1.134 -2.555 -7.848 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -1.583 -0.227 -7.458 1.00 0.00 C ATOM 1390 CE1 TYR A 92 -0.680 -2.685 -6.549 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -1.129 -0.357 -6.159 1.00 0.00 C ATOM 1392 CZ TYR A 92 -0.679 -1.580 -5.705 1.00 0.00 C ATOM 1393 OH TYR A 92 -0.225 -1.710 -4.413 1.00 0.00 O ATOM 0 H TYR A 92 -3.351 -3.416 -10.085 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.092 -0.746 -9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.589 -1.927 -10.350 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.796 -0.204 -10.105 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.135 -3.410 -8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.934 0.730 -7.814 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.327 -3.641 -6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.126 0.498 -5.500 1.00 0.00 H new ATOM 0 HH TYR A 92 0.077 -0.838 -4.083 1.00 0.00 H new ATOM 1403 N THR A 93 -4.140 0.475 -11.372 1.00 0.00 N ATOM 1404 CA THR A 93 -4.429 1.091 -12.663 1.00 0.00 C ATOM 1405 C THR A 93 -3.230 0.997 -13.598 1.00 0.00 C ATOM 1406 O THR A 93 -2.613 2.007 -13.935 1.00 0.00 O ATOM 1407 CB THR A 93 -4.838 2.565 -12.494 1.00 0.00 C ATOM 1408 OG1 THR A 93 -6.038 2.644 -11.714 1.00 0.00 O ATOM 1409 CG2 THR A 93 -5.076 3.212 -13.850 1.00 0.00 C ATOM 0 H THR A 93 -4.010 1.139 -10.609 1.00 0.00 H new ATOM 0 HA THR A 93 -5.262 0.542 -13.104 1.00 0.00 H new ATOM 0 HB THR A 93 -4.031 3.094 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.830 3.015 -10.831 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.364 4.254 -13.710 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.162 3.165 -14.441 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.873 2.682 -14.371 1.00 0.00 H new ATOM 1486 N HIS A 99 3.805 -0.680 -23.598 1.00 0.00 N ATOM 1487 CA HIS A 99 4.908 -0.942 -24.514 1.00 0.00 C ATOM 1488 C HIS A 99 4.810 -0.070 -25.759 1.00 0.00 C ATOM 1489 O HIS A 99 5.783 0.088 -26.497 1.00 0.00 O ATOM 1490 CB HIS A 99 4.935 -2.419 -24.920 1.00 0.00 C ATOM 1491 CG HIS A 99 4.901 -3.364 -23.758 1.00 0.00 C ATOM 1492 ND1 HIS A 99 4.723 -4.722 -23.909 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.021 -3.144 -22.428 1.00 0.00 C ATOM 1494 CE1 HIS A 99 4.737 -5.299 -22.720 1.00 0.00 C ATOM 1495 NE2 HIS A 99 4.916 -4.364 -21.805 1.00 0.00 N ATOM 0 HA HIS A 99 5.833 -0.698 -23.991 1.00 0.00 H new ATOM 0 HB2 HIS A 99 4.083 -2.624 -25.569 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.835 -2.609 -25.505 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.171 -2.189 -21.947 1.00 0.00 H new ATOM 0 HE1 HIS A 99 4.622 -6.356 -22.529 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.968 -4.522 -20.799 1.00 0.00 H new ATOM 1502 N ALA A 100 3.630 0.495 -25.988 1.00 0.00 N ATOM 1503 CA ALA A 100 3.394 1.331 -27.158 1.00 0.00 C ATOM 1504 C ALA A 100 4.125 2.663 -27.040 1.00 0.00 C ATOM 1505 O ALA A 100 4.806 3.092 -27.972 1.00 0.00 O ATOM 1506 CB ALA A 100 1.903 1.563 -27.353 1.00 0.00 C ATOM 0 H ALA A 100 2.820 0.389 -25.377 1.00 0.00 H new ATOM 0 HA ALA A 100 3.786 0.806 -28.029 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.744 2.189 -28.231 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.401 0.606 -27.494 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.494 2.061 -26.474 1.00 0.00 H new ATOM 1512 N MET A 101 3.979 3.312 -25.891 1.00 0.00 N ATOM 1513 CA MET A 101 4.713 4.539 -25.606 1.00 0.00 C ATOM 1514 C MET A 101 6.213 4.340 -25.786 1.00 0.00 C ATOM 1515 O MET A 101 6.906 5.211 -26.311 1.00 0.00 O ATOM 1516 CB MET A 101 4.406 5.020 -24.189 1.00 0.00 C ATOM 1517 CG MET A 101 2.991 5.549 -23.996 1.00 0.00 C ATOM 1518 SD MET A 101 2.738 6.276 -22.365 1.00 0.00 S ATOM 1519 CE MET A 101 2.580 4.803 -21.359 1.00 0.00 C ATOM 0 H MET A 101 3.358 3.009 -25.141 1.00 0.00 H new ATOM 0 HA MET A 101 4.389 5.300 -26.316 1.00 0.00 H new ATOM 0 HB2 MET A 101 4.570 4.196 -23.495 1.00 0.00 H new ATOM 0 HB3 MET A 101 5.114 5.806 -23.924 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.780 6.297 -24.760 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.280 4.736 -24.141 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.383 5.088 -20.325 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.756 4.195 -21.731 1.00 0.00 H new ATOM 0 HE3 MET A 101 3.505 4.229 -21.407 1.00 0.00 H new ATOM 1529 N PHE A 102 6.707 3.187 -25.348 1.00 0.00 N ATOM 1530 CA PHE A 102 8.132 2.885 -25.430 1.00 0.00 C ATOM 1531 C PHE A 102 8.539 2.534 -26.855 1.00 0.00 C ATOM 1532 O PHE A 102 9.571 2.992 -27.345 1.00 0.00 O ATOM 1533 CB PHE A 102 8.486 1.728 -24.493 1.00 0.00 C ATOM 1534 CG PHE A 102 9.963 1.480 -24.369 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.847 2.537 -24.206 1.00 0.00 C ATOM 1536 CD2 PHE A 102 10.471 0.191 -24.418 1.00 0.00 C ATOM 1537 CE1 PHE A 102 12.206 2.309 -24.092 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.829 -0.039 -24.304 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.697 1.022 -24.141 1.00 0.00 C ATOM 0 H PHE A 102 6.142 2.446 -24.933 1.00 0.00 H new ATOM 0 HA PHE A 102 8.679 3.777 -25.124 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.077 1.935 -23.504 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.003 0.820 -24.854 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.470 3.548 -24.168 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.797 -0.643 -24.547 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.884 3.140 -23.964 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.211 -1.048 -24.342 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.759 0.844 -24.052 1.00 0.00 H new ATOM 1549 N ALA A 103 7.724 1.719 -27.515 1.00 0.00 N ATOM 1550 CA ALA A 103 7.947 1.381 -28.916 1.00 0.00 C ATOM 1551 C ALA A 103 8.060 2.635 -29.774 1.00 0.00 C ATOM 1552 O ALA A 103 8.810 2.666 -30.749 1.00 0.00 O ATOM 1553 CB ALA A 103 6.828 0.487 -29.430 1.00 0.00 C ATOM 0 H ALA A 103 6.902 1.279 -27.102 1.00 0.00 H new ATOM 0 HA ALA A 103 8.890 0.839 -28.985 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.009 0.243 -30.477 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.798 -0.431 -28.844 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.875 1.008 -29.338 1.00 0.00 H new ATOM 1559 N GLU A 104 7.310 3.668 -29.404 1.00 0.00 N ATOM 1560 CA GLU A 104 7.395 4.956 -30.081 1.00 0.00 C ATOM 1561 C GLU A 104 8.664 5.702 -29.688 1.00 0.00 C ATOM 1562 O GLU A 104 9.309 6.333 -30.526 1.00 0.00 O ATOM 1563 CB GLU A 104 6.168 5.812 -29.755 1.00 0.00 C ATOM 1564 CG GLU A 104 6.140 7.164 -30.452 1.00 0.00 C ATOM 1565 CD GLU A 104 6.042 7.049 -31.948 1.00 0.00 C ATOM 1566 OE1 GLU A 104 5.609 6.024 -32.418 1.00 0.00 O ATOM 1567 OE2 GLU A 104 6.399 7.986 -32.621 1.00 0.00 O1- ATOM 0 H GLU A 104 6.636 3.638 -28.639 1.00 0.00 H new ATOM 0 HA GLU A 104 7.426 4.767 -31.154 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.270 5.257 -30.029 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.128 5.972 -28.678 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.293 7.741 -30.081 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.042 7.719 -30.194 1.00 0.00 H new ATOM 1574 N PHE A 105 9.018 5.626 -28.410 1.00 0.00 N ATOM 1575 CA PHE A 105 10.148 6.380 -27.882 1.00 0.00 C ATOM 1576 C PHE A 105 11.472 5.792 -28.354 1.00 0.00 C ATOM 1577 O PHE A 105 12.266 6.471 -29.005 1.00 0.00 O ATOM 1578 CB PHE A 105 10.110 6.399 -26.353 1.00 0.00 C ATOM 1579 CG PHE A 105 11.293 7.080 -25.725 1.00 0.00 C ATOM 1580 CD1 PHE A 105 11.504 8.439 -25.904 1.00 0.00 C ATOM 1581 CD2 PHE A 105 12.197 6.363 -24.956 1.00 0.00 C ATOM 1582 CE1 PHE A 105 12.592 9.066 -25.327 1.00 0.00 C ATOM 1583 CE2 PHE A 105 13.285 6.988 -24.378 1.00 0.00 C ATOM 1584 CZ PHE A 105 13.482 8.342 -24.564 1.00 0.00 C ATOM 0 H PHE A 105 8.538 5.049 -27.720 1.00 0.00 H new ATOM 0 HA PHE A 105 10.069 7.400 -28.257 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.199 6.901 -26.028 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.057 5.373 -25.987 1.00 0.00 H new ATOM 0 HD1 PHE A 105 10.811 9.013 -26.501 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.049 5.304 -24.807 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.745 10.125 -25.474 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.981 6.418 -23.781 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.332 8.832 -24.112 1.00 0.00 H new ATOM 1594 N PHE A 106 11.703 4.527 -28.021 1.00 0.00 N ATOM 1595 CA PHE A 106 13.009 3.909 -28.222 1.00 0.00 C ATOM 1596 C PHE A 106 12.932 2.776 -29.238 1.00 0.00 C ATOM 1597 O PHE A 106 13.866 2.558 -30.011 1.00 0.00 O ATOM 1598 CB PHE A 106 13.557 3.375 -26.897 1.00 0.00 C ATOM 1599 CG PHE A 106 14.912 2.738 -27.014 1.00 0.00 C ATOM 1600 CD1 PHE A 106 16.041 3.511 -27.238 1.00 0.00 C ATOM 1601 CD2 PHE A 106 15.060 1.364 -26.903 1.00 0.00 C ATOM 1602 CE1 PHE A 106 17.288 2.925 -27.346 1.00 0.00 C ATOM 1603 CE2 PHE A 106 16.306 0.776 -27.010 1.00 0.00 C ATOM 1604 CZ PHE A 106 17.421 1.557 -27.232 1.00 0.00 C ATOM 0 H PHE A 106 11.003 3.909 -27.611 1.00 0.00 H new ATOM 0 HA PHE A 106 13.682 4.675 -28.608 1.00 0.00 H new ATOM 0 HB2 PHE A 106 13.612 4.195 -26.181 1.00 0.00 H new ATOM 0 HB3 PHE A 106 12.856 2.645 -26.493 1.00 0.00 H new ATOM 0 HD1 PHE A 106 15.945 4.583 -27.329 1.00 0.00 H new ATOM 0 HD2 PHE A 106 14.191 0.746 -26.731 1.00 0.00 H new ATOM 0 HE1 PHE A 106 18.159 3.539 -27.520 1.00 0.00 H new ATOM 0 HE2 PHE A 106 16.407 -0.295 -26.920 1.00 0.00 H new ATOM 0 HZ PHE A 106 18.395 1.099 -27.316 1.00 0.00 H new ATOM 1614 N GLY A 107 11.814 2.058 -29.233 1.00 0.00 N ATOM 1615 CA GLY A 107 11.660 0.874 -30.069 1.00 0.00 C ATOM 1616 C GLY A 107 12.215 -0.364 -29.378 1.00 0.00 C ATOM 1617 O GLY A 107 12.798 -1.238 -30.022 1.00 0.00 O ATOM 0 H GLY A 107 11.000 2.276 -28.658 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.605 0.723 -30.299 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.175 1.026 -31.018 1.00 0.00 H new ATOM 1621 N GLY A 108 12.031 -0.436 -28.064 1.00 0.00 N ATOM 1622 CA GLY A 108 12.336 -1.647 -27.313 1.00 0.00 C ATOM 1623 C GLY A 108 11.202 -2.660 -27.418 1.00 0.00 C ATOM 1624 O GLY A 108 10.552 -2.983 -26.423 1.00 0.00 O ATOM 0 H GLY A 108 11.671 0.332 -27.497 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.258 -2.089 -27.690 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.507 -1.396 -26.266 1.00 0.00 H new