USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 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 25 THR OG1 : rot 138:sc= -0.533! USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.98 K(o=0.45,f=-4.8!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -123:sc= -0.754! USER MOD Single : A 12 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.25) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -58:sc= 0.273 USER MOD Single : A 34 GLN : amide:sc= -3.03! K(o=-3!,f=-0.41) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0486 USER MOD Single : A 43 TYR OH : rot 165:sc= 0.371 USER MOD Single : A 45 ASN : amide:sc=-0.00392 K(o=-0.0039,f=-0.85) USER MOD Single : A 49 GLN : amide:sc= -1.61! C(o=-1.6!,f=-2.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 1.3 K(o=1.3,f=-7!) USER MOD Single : A 73 TYR OH : rot -106:sc= 0.248 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 77 TYR OH : rot -89:sc= 0.611 USER MOD ----------------------------------------------------------------- ATOM 46 N TYR A 4 4.085 -7.744 -6.617 1.00 0.73 N ATOM 47 CA TYR A 4 3.710 -6.353 -6.743 1.00 0.56 C ATOM 48 C TYR A 4 2.584 -6.062 -5.764 1.00 0.48 C ATOM 49 O TYR A 4 2.036 -6.987 -5.177 1.00 0.54 O ATOM 50 CB TYR A 4 3.274 -6.062 -8.185 1.00 0.66 C ATOM 51 CG TYR A 4 1.960 -6.695 -8.571 1.00 0.57 C ATOM 52 CD1 TYR A 4 0.772 -6.137 -8.139 1.00 0.51 C ATOM 53 CD2 TYR A 4 1.902 -7.833 -9.364 1.00 0.78 C ATOM 54 CE1 TYR A 4 -0.434 -6.681 -8.472 1.00 0.60 C ATOM 55 CE2 TYR A 4 0.684 -8.394 -9.708 1.00 1.00 C ATOM 56 CZ TYR A 4 -0.484 -7.811 -9.258 1.00 0.90 C ATOM 57 OH TYR A 4 -1.704 -8.348 -9.600 1.00 1.17 O ATOM 0 HA TYR A 4 4.559 -5.709 -6.512 1.00 0.56 H new ATOM 0 HB2 TYR A 4 3.199 -4.983 -8.320 1.00 0.66 H new ATOM 0 HB3 TYR A 4 4.049 -6.415 -8.866 1.00 0.66 H new ATOM 0 HD1 TYR A 4 0.799 -5.250 -7.524 1.00 0.51 H new ATOM 0 HD2 TYR A 4 2.817 -8.286 -9.716 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -1.348 -6.226 -8.120 1.00 0.60 H new ATOM 0 HE2 TYR A 4 0.648 -9.281 -10.324 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.567 -9.142 -10.158 1.00 1.17 H new ATOM 67 N ILE A 5 2.220 -4.797 -5.617 1.00 0.41 N ATOM 68 CA ILE A 5 1.219 -4.394 -4.641 1.00 0.37 C ATOM 69 C ILE A 5 -0.013 -3.798 -5.314 1.00 0.31 C ATOM 70 O ILE A 5 0.026 -3.441 -6.494 1.00 0.33 O ATOM 71 CB ILE A 5 1.750 -3.371 -3.636 1.00 0.42 C ATOM 72 CG1 ILE A 5 1.937 -2.010 -4.319 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.051 -3.852 -3.006 1.00 0.51 C ATOM 74 CD1 ILE A 5 2.339 -0.893 -3.385 1.00 1.00 C ATOM 0 H ILE A 5 2.606 -4.028 -6.165 1.00 0.41 H new ATOM 0 HA ILE A 5 0.953 -5.308 -4.110 1.00 0.37 H new ATOM 0 HB ILE A 5 1.019 -3.258 -2.835 1.00 0.42 H new ATOM 0 HG12 ILE A 5 2.695 -2.108 -5.096 1.00 0.49 H new ATOM 0 HG13 ILE A 5 1.006 -1.735 -4.815 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.408 -3.107 -2.295 1.00 0.51 H new ATOM 0 HG22 ILE A 5 2.877 -4.795 -2.487 1.00 0.51 H new ATOM 0 HG23 ILE A 5 3.800 -3.999 -3.784 1.00 0.51 H new ATOM 0 HD11 ILE A 5 2.449 0.032 -3.951 1.00 1.00 H new ATOM 0 HD12 ILE A 5 1.571 -0.763 -2.622 1.00 1.00 H new ATOM 0 HD13 ILE A 5 3.287 -1.141 -2.907 1.00 1.00 H new ATOM 86 N ARG A 6 -1.117 -3.712 -4.570 1.00 0.30 N ATOM 87 CA ARG A 6 -2.338 -3.151 -5.098 1.00 0.32 C ATOM 88 C ARG A 6 -2.710 -1.909 -4.275 1.00 0.31 C ATOM 89 O ARG A 6 -2.699 -1.955 -3.061 1.00 0.31 O ATOM 90 CB ARG A 6 -3.428 -4.223 -4.971 1.00 0.39 C ATOM 91 CG ARG A 6 -3.976 -4.722 -6.278 1.00 0.81 C ATOM 92 CD ARG A 6 -4.974 -3.722 -6.801 1.00 0.61 C ATOM 93 NE ARG A 6 -6.267 -4.309 -7.100 1.00 1.13 N ATOM 94 CZ ARG A 6 -6.512 -5.268 -8.000 1.00 1.78 C ATOM 95 NH1 ARG A 6 -5.532 -5.814 -8.694 1.00 2.03 N ATOM 96 NH2 ARG A 6 -7.754 -5.691 -8.185 1.00 2.73 N ATOM 0 H ARG A 6 -1.180 -4.027 -3.602 1.00 0.30 H new ATOM 0 HA ARG A 6 -2.225 -2.856 -6.141 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -3.023 -5.069 -4.416 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -4.249 -3.818 -4.380 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -3.169 -4.861 -6.997 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.451 -5.693 -6.141 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -5.104 -2.929 -6.065 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -4.575 -3.258 -7.703 1.00 0.61 H new ATOM 0 HE ARG A 6 -7.066 -3.956 -6.573 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -4.571 -5.506 -8.548 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -5.736 -6.544 -9.376 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -8.517 -5.286 -7.643 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -7.947 -6.422 -8.870 1.00 2.73 H new ATOM 110 N VAL A 7 -3.024 -0.795 -4.910 1.00 0.34 N ATOM 111 CA VAL A 7 -3.424 0.393 -4.160 1.00 0.38 C ATOM 112 C VAL A 7 -4.564 1.125 -4.849 1.00 0.38 C ATOM 113 O VAL A 7 -4.703 1.046 -6.057 1.00 0.41 O ATOM 114 CB VAL A 7 -2.218 1.343 -3.925 1.00 0.45 C ATOM 115 CG1 VAL A 7 -1.318 1.415 -5.149 1.00 1.21 C ATOM 116 CG2 VAL A 7 -2.671 2.738 -3.512 1.00 1.45 C ATOM 0 H VAL A 7 -3.012 -0.682 -5.924 1.00 0.34 H new ATOM 0 HA VAL A 7 -3.783 0.059 -3.186 1.00 0.38 H new ATOM 0 HB VAL A 7 -1.639 0.922 -3.103 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -0.485 2.089 -4.949 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -0.934 0.421 -5.377 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -1.889 1.787 -5.999 1.00 1.21 H new ATOM 0 HG21 VAL A 7 -1.799 3.373 -3.357 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -3.296 3.165 -4.297 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -3.243 2.676 -2.586 1.00 1.45 H new ATOM 126 N THR A 8 -5.442 1.726 -4.066 1.00 0.39 N ATOM 127 CA THR A 8 -6.407 2.682 -4.578 1.00 0.40 C ATOM 128 C THR A 8 -6.793 3.685 -3.490 1.00 0.42 C ATOM 129 O THR A 8 -6.440 3.499 -2.327 1.00 0.56 O ATOM 130 CB THR A 8 -7.631 1.978 -5.177 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.683 2.909 -5.442 1.00 0.49 O ATOM 132 CG2 THR A 8 -8.126 0.866 -4.285 1.00 0.47 C ATOM 0 H THR A 8 -5.506 1.566 -3.061 1.00 0.39 H new ATOM 0 HA THR A 8 -5.942 3.239 -5.391 1.00 0.40 H new ATOM 0 HB THR A 8 -7.316 1.535 -6.122 1.00 0.43 H new ATOM 0 HG1 THR A 8 -9.493 2.633 -4.964 1.00 0.49 H new ATOM 0 HG21 THR A 8 -8.994 0.391 -4.743 1.00 0.47 H new ATOM 0 HG22 THR A 8 -7.336 0.127 -4.152 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.406 1.276 -3.315 1.00 0.47 H new ATOM 140 N GLU A 9 -7.483 4.759 -3.850 1.00 0.35 N ATOM 141 CA GLU A 9 -7.921 5.719 -2.853 1.00 0.30 C ATOM 142 C GLU A 9 -9.131 5.211 -2.096 1.00 0.29 C ATOM 143 O GLU A 9 -9.298 5.469 -0.902 1.00 0.41 O ATOM 144 CB GLU A 9 -8.218 7.073 -3.470 1.00 0.31 C ATOM 145 CG GLU A 9 -6.974 7.766 -3.988 1.00 1.13 C ATOM 146 CD GLU A 9 -6.837 7.659 -5.494 1.00 2.20 C ATOM 147 OE1 GLU A 9 -7.175 8.631 -6.202 1.00 2.55 O ATOM 148 OE2 GLU A 9 -6.398 6.599 -5.985 1.00 2.97 O ATOM 0 H GLU A 9 -7.747 4.983 -4.809 1.00 0.35 H new ATOM 0 HA GLU A 9 -7.099 5.843 -2.148 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -8.926 6.947 -4.289 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -8.700 7.708 -2.727 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -7.002 8.818 -3.702 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -6.095 7.330 -3.514 1.00 1.13 H new ATOM 155 N ASP A 10 -9.964 4.481 -2.790 1.00 0.32 N ATOM 156 CA ASP A 10 -11.105 3.867 -2.180 1.00 0.36 C ATOM 157 C ASP A 10 -11.152 2.451 -2.638 1.00 0.33 C ATOM 158 O ASP A 10 -10.691 2.148 -3.730 1.00 0.33 O ATOM 159 CB ASP A 10 -12.426 4.533 -2.530 1.00 0.48 C ATOM 160 CG ASP A 10 -13.381 4.554 -1.355 1.00 0.84 C ATOM 161 OD1 ASP A 10 -13.707 5.656 -0.865 1.00 1.14 O ATOM 162 OD2 ASP A 10 -13.802 3.466 -0.908 1.00 1.11 O ATOM 0 H ASP A 10 -9.868 4.298 -3.789 1.00 0.32 H new ATOM 0 HA ASP A 10 -10.989 3.961 -1.100 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.240 5.554 -2.864 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -12.889 4.004 -3.363 1.00 0.48 H new ATOM 167 N GLU A 11 -11.717 1.611 -1.840 1.00 0.38 N ATOM 168 CA GLU A 11 -11.708 0.182 -2.093 1.00 0.40 C ATOM 169 C GLU A 11 -12.286 -0.051 -3.467 1.00 0.47 C ATOM 170 O GLU A 11 -11.810 -0.872 -4.258 1.00 0.60 O ATOM 171 CB GLU A 11 -12.580 -0.497 -1.050 1.00 0.50 C ATOM 172 CG GLU A 11 -12.589 0.244 0.269 1.00 0.69 C ATOM 173 CD GLU A 11 -13.539 -0.354 1.282 1.00 1.05 C ATOM 174 OE1 GLU A 11 -14.731 0.020 1.269 1.00 1.48 O ATOM 175 OE2 GLU A 11 -13.101 -1.185 2.099 1.00 1.37 O ATOM 0 H GLU A 11 -12.204 1.881 -0.986 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.696 -0.221 -2.040 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.600 -0.573 -1.427 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -12.223 -1.514 -0.889 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -11.581 0.247 0.684 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -12.864 1.284 0.092 1.00 0.69 H new ATOM 182 N ASN A 12 -13.311 0.731 -3.730 1.00 0.49 N ATOM 183 CA ASN A 12 -14.015 0.708 -4.972 1.00 0.60 C ATOM 184 C ASN A 12 -13.720 1.928 -5.852 1.00 0.48 C ATOM 185 O ASN A 12 -14.560 2.299 -6.674 1.00 0.52 O ATOM 186 CB ASN A 12 -15.501 0.646 -4.671 1.00 0.81 C ATOM 187 CG ASN A 12 -15.925 1.597 -3.576 1.00 1.46 C ATOM 188 OD1 ASN A 12 -16.249 2.756 -3.825 1.00 2.00 O ATOM 189 ND2 ASN A 12 -15.952 1.101 -2.353 1.00 2.02 N ATOM 0 H ASN A 12 -13.678 1.412 -3.065 1.00 0.49 H new ATOM 0 HA ASN A 12 -13.682 -0.166 -5.532 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -16.059 0.875 -5.579 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -15.765 -0.371 -4.382 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -16.250 1.686 -1.572 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -15.675 0.133 -2.189 1.00 2.02 H new ATOM 196 N ASP A 13 -12.553 2.573 -5.705 1.00 0.40 N ATOM 197 CA ASP A 13 -12.185 3.605 -6.673 1.00 0.37 C ATOM 198 C ASP A 13 -11.598 2.917 -7.885 1.00 0.47 C ATOM 199 O ASP A 13 -12.283 2.185 -8.596 1.00 0.59 O ATOM 200 CB ASP A 13 -11.161 4.630 -6.149 1.00 0.34 C ATOM 201 CG ASP A 13 -11.260 5.946 -6.900 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.990 6.847 -6.434 1.00 0.44 O ATOM 203 OD2 ASP A 13 -10.633 6.078 -7.974 1.00 0.52 O ATOM 0 H ASP A 13 -11.878 2.406 -4.959 1.00 0.40 H new ATOM 0 HA ASP A 13 -13.092 4.166 -6.900 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -11.328 4.803 -5.086 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -10.154 4.226 -6.252 1.00 0.34 H new ATOM 208 N GLU A 14 -10.331 3.161 -8.121 1.00 0.47 N ATOM 209 CA GLU A 14 -9.580 2.378 -9.090 1.00 0.56 C ATOM 210 C GLU A 14 -8.367 1.744 -8.439 1.00 0.50 C ATOM 211 O GLU A 14 -7.300 2.358 -8.382 1.00 0.50 O ATOM 212 CB GLU A 14 -9.155 3.217 -10.284 1.00 0.68 C ATOM 213 CG GLU A 14 -10.281 3.518 -11.252 1.00 1.12 C ATOM 214 CD GLU A 14 -9.788 4.191 -12.514 1.00 1.38 C ATOM 215 OE1 GLU A 14 -9.692 5.435 -12.531 1.00 2.18 O ATOM 216 OE2 GLU A 14 -9.489 3.476 -13.495 1.00 1.73 O ATOM 0 H GLU A 14 -9.793 3.894 -7.659 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.240 1.591 -9.453 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -8.736 4.157 -9.925 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -8.359 2.697 -10.817 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -10.791 2.591 -11.513 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -11.015 4.159 -10.764 1.00 1.12 H new ATOM 223 N PRO A 15 -8.503 0.519 -7.917 1.00 0.50 N ATOM 224 CA PRO A 15 -7.365 -0.213 -7.390 1.00 0.45 C ATOM 225 C PRO A 15 -6.456 -0.659 -8.518 1.00 0.43 C ATOM 226 O PRO A 15 -6.912 -1.163 -9.545 1.00 0.52 O ATOM 227 CB PRO A 15 -7.989 -1.399 -6.679 1.00 0.50 C ATOM 228 CG PRO A 15 -9.256 -1.601 -7.377 1.00 0.57 C ATOM 229 CD PRO A 15 -9.751 -0.239 -7.777 1.00 0.58 C ATOM 0 HA PRO A 15 -6.743 0.384 -6.723 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.353 -2.282 -6.742 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -8.145 -1.193 -5.620 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -9.119 -2.235 -8.253 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -9.978 -2.101 -6.731 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -10.315 -0.269 -8.709 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -10.407 0.193 -7.021 1.00 0.58 H new ATOM 237 N ILE A 16 -5.182 -0.462 -8.320 1.00 0.36 N ATOM 238 CA ILE A 16 -4.210 -0.633 -9.373 1.00 0.36 C ATOM 239 C ILE A 16 -3.099 -1.561 -8.935 1.00 0.31 C ATOM 240 O ILE A 16 -2.811 -1.678 -7.740 1.00 0.37 O ATOM 241 CB ILE A 16 -3.618 0.722 -9.782 1.00 0.42 C ATOM 242 CG1 ILE A 16 -3.179 1.494 -8.525 1.00 0.41 C ATOM 243 CG2 ILE A 16 -4.626 1.506 -10.601 1.00 0.51 C ATOM 244 CD1 ILE A 16 -3.989 2.753 -8.237 1.00 0.45 C ATOM 0 H ILE A 16 -4.784 -0.178 -7.425 1.00 0.36 H new ATOM 0 HA ILE A 16 -4.719 -1.075 -10.230 1.00 0.36 H new ATOM 0 HB ILE A 16 -2.738 0.567 -10.407 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -3.248 0.829 -7.664 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -2.130 1.770 -8.632 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -4.195 2.466 -10.886 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -4.883 0.943 -11.498 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.525 1.673 -10.008 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.609 3.231 -7.334 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -3.901 3.442 -9.077 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -5.036 2.487 -8.094 1.00 0.45 H new ATOM 256 N GLU A 17 -2.476 -2.213 -9.892 1.00 0.34 N ATOM 257 CA GLU A 17 -1.418 -3.149 -9.595 1.00 0.34 C ATOM 258 C GLU A 17 -0.069 -2.590 -10.012 1.00 0.36 C ATOM 259 O GLU A 17 0.147 -2.264 -11.179 1.00 0.45 O ATOM 260 CB GLU A 17 -1.665 -4.468 -10.292 1.00 0.43 C ATOM 261 CG GLU A 17 -3.072 -5.020 -10.103 1.00 0.53 C ATOM 262 CD GLU A 17 -4.024 -4.590 -11.200 1.00 0.98 C ATOM 263 OE1 GLU A 17 -4.640 -3.516 -11.075 1.00 1.62 O ATOM 264 OE2 GLU A 17 -4.172 -5.334 -12.189 1.00 1.35 O ATOM 0 H GLU A 17 -2.686 -2.111 -10.885 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.409 -3.314 -8.518 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -1.476 -4.344 -11.358 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -0.947 -5.201 -9.924 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -3.029 -6.109 -10.072 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.461 -4.689 -9.140 1.00 0.53 H new ATOM 271 N ILE A 18 0.837 -2.498 -9.057 1.00 0.32 N ATOM 272 CA ILE A 18 2.130 -1.837 -9.281 1.00 0.39 C ATOM 273 C ILE A 18 3.274 -2.563 -8.575 1.00 0.36 C ATOM 274 O ILE A 18 3.129 -3.004 -7.436 1.00 0.35 O ATOM 275 CB ILE A 18 2.114 -0.354 -8.827 1.00 0.47 C ATOM 276 CG1 ILE A 18 1.637 -0.227 -7.388 1.00 1.18 C ATOM 277 CG2 ILE A 18 1.249 0.488 -9.754 1.00 1.37 C ATOM 278 CD1 ILE A 18 1.859 1.153 -6.819 1.00 1.52 C ATOM 0 H ILE A 18 0.711 -2.869 -8.115 1.00 0.32 H new ATOM 0 HA ILE A 18 2.298 -1.874 -10.357 1.00 0.39 H new ATOM 0 HB ILE A 18 3.136 0.021 -8.879 1.00 0.47 H new ATOM 0 HG12 ILE A 18 0.575 -0.469 -7.339 1.00 1.18 H new ATOM 0 HG13 ILE A 18 2.159 -0.958 -6.771 1.00 1.18 H new ATOM 0 HG21 ILE A 18 1.254 1.524 -9.415 1.00 1.37 H new ATOM 0 HG22 ILE A 18 1.645 0.436 -10.768 1.00 1.37 H new ATOM 0 HG23 ILE A 18 0.228 0.108 -9.744 1.00 1.37 H new ATOM 0 HD11 ILE A 18 1.500 1.185 -5.790 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.923 1.388 -6.839 1.00 1.52 H new ATOM 0 HD13 ILE A 18 1.315 1.885 -7.416 1.00 1.52 H new ATOM 290 N PRO A 19 4.432 -2.693 -9.245 1.00 0.39 N ATOM 291 CA PRO A 19 5.627 -3.308 -8.660 1.00 0.39 C ATOM 292 C PRO A 19 6.376 -2.349 -7.730 1.00 0.36 C ATOM 293 O PRO A 19 6.379 -1.134 -7.943 1.00 0.44 O ATOM 294 CB PRO A 19 6.477 -3.653 -9.883 1.00 0.48 C ATOM 295 CG PRO A 19 6.088 -2.653 -10.921 1.00 0.67 C ATOM 296 CD PRO A 19 4.661 -2.257 -10.635 1.00 0.47 C ATOM 0 HA PRO A 19 5.386 -4.170 -8.038 1.00 0.39 H new ATOM 0 HB2 PRO A 19 7.541 -3.590 -9.654 1.00 0.48 H new ATOM 0 HB3 PRO A 19 6.284 -4.670 -10.223 1.00 0.48 H new ATOM 0 HG2 PRO A 19 6.745 -1.784 -10.885 1.00 0.67 H new ATOM 0 HG3 PRO A 19 6.178 -3.079 -11.920 1.00 0.67 H new ATOM 0 HD2 PRO A 19 4.517 -1.182 -10.743 1.00 0.47 H new ATOM 0 HD3 PRO A 19 3.968 -2.742 -11.323 1.00 0.47 H new ATOM 304 N SER A 20 7.012 -2.900 -6.706 1.00 0.39 N ATOM 305 CA SER A 20 7.703 -2.093 -5.707 1.00 0.39 C ATOM 306 C SER A 20 9.179 -2.477 -5.608 1.00 0.38 C ATOM 307 O SER A 20 9.603 -3.488 -6.172 1.00 0.40 O ATOM 308 CB SER A 20 7.016 -2.250 -4.354 1.00 0.44 C ATOM 309 OG SER A 20 5.650 -1.883 -4.441 1.00 0.97 O ATOM 0 H SER A 20 7.065 -3.906 -6.544 1.00 0.39 H new ATOM 0 HA SER A 20 7.655 -1.048 -6.014 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.100 -3.283 -4.016 1.00 0.44 H new ATOM 0 HB3 SER A 20 7.518 -1.630 -3.611 1.00 0.44 H new ATOM 0 HG SER A 20 5.226 -1.992 -3.564 1.00 0.97 H new ATOM 315 N GLU A 21 9.952 -1.660 -4.892 1.00 0.41 N ATOM 316 CA GLU A 21 11.385 -1.878 -4.742 1.00 0.48 C ATOM 317 C GLU A 21 11.675 -3.139 -3.951 1.00 0.49 C ATOM 318 O GLU A 21 10.912 -3.535 -3.070 1.00 0.45 O ATOM 319 CB GLU A 21 12.035 -0.664 -4.082 1.00 0.53 C ATOM 320 CG GLU A 21 13.551 -0.739 -4.017 1.00 1.47 C ATOM 321 CD GLU A 21 14.194 0.599 -3.733 1.00 1.91 C ATOM 322 OE1 GLU A 21 14.496 0.882 -2.561 1.00 2.77 O ATOM 323 OE2 GLU A 21 14.408 1.371 -4.692 1.00 2.00 O ATOM 0 H GLU A 21 9.603 -0.835 -4.404 1.00 0.41 H new ATOM 0 HA GLU A 21 11.813 -2.010 -5.736 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.748 0.233 -4.631 1.00 0.53 H new ATOM 0 HB3 GLU A 21 11.642 -0.558 -3.071 1.00 0.53 H new ATOM 0 HG2 GLU A 21 13.842 -1.448 -3.242 1.00 1.47 H new ATOM 0 HG3 GLU A 21 13.932 -1.126 -4.962 1.00 1.47 H new ATOM 330 N ASP A 22 12.829 -3.720 -4.283 1.00 0.61 N ATOM 331 CA ASP A 22 13.322 -4.991 -3.740 1.00 0.70 C ATOM 332 C ASP A 22 13.320 -4.997 -2.234 1.00 0.72 C ATOM 333 O ASP A 22 13.181 -6.046 -1.600 1.00 0.81 O ATOM 334 CB ASP A 22 14.762 -5.150 -4.189 1.00 0.87 C ATOM 335 CG ASP A 22 15.496 -6.318 -3.545 1.00 1.33 C ATOM 336 OD1 ASP A 22 15.594 -7.388 -4.176 1.00 1.43 O ATOM 337 OD2 ASP A 22 16.021 -6.154 -2.422 1.00 2.13 O ATOM 0 H ASP A 22 13.469 -3.306 -4.960 1.00 0.61 H new ATOM 0 HA ASP A 22 12.674 -5.793 -4.094 1.00 0.70 H new ATOM 0 HB2 ASP A 22 14.780 -5.277 -5.271 1.00 0.87 H new ATOM 0 HB3 ASP A 22 15.303 -4.230 -3.967 1.00 0.87 H new ATOM 342 N ASP A 23 13.467 -3.818 -1.666 1.00 0.69 N ATOM 343 CA ASP A 23 13.589 -3.690 -0.223 1.00 0.75 C ATOM 344 C ASP A 23 12.216 -3.827 0.396 1.00 0.66 C ATOM 345 O ASP A 23 12.047 -3.920 1.614 1.00 0.75 O ATOM 346 CB ASP A 23 14.229 -2.356 0.140 1.00 0.82 C ATOM 347 CG ASP A 23 14.381 -2.158 1.636 1.00 1.53 C ATOM 348 OD1 ASP A 23 15.233 -2.835 2.245 1.00 1.85 O ATOM 349 OD2 ASP A 23 13.656 -1.318 2.209 1.00 2.32 O ATOM 0 H ASP A 23 13.505 -2.936 -2.177 1.00 0.69 H new ATOM 0 HA ASP A 23 14.235 -4.477 0.167 1.00 0.75 H new ATOM 0 HB2 ASP A 23 15.210 -2.290 -0.331 1.00 0.82 H new ATOM 0 HB3 ASP A 23 13.624 -1.546 -0.268 1.00 0.82 H new ATOM 354 N GLY A 24 11.236 -3.874 -0.482 1.00 0.56 N ATOM 355 CA GLY A 24 9.855 -3.908 -0.052 1.00 0.55 C ATOM 356 C GLY A 24 9.392 -2.499 0.160 1.00 0.48 C ATOM 357 O GLY A 24 8.494 -2.209 0.949 1.00 0.55 O ATOM 0 H GLY A 24 11.369 -3.889 -1.493 1.00 0.56 H new ATOM 0 HA2 GLY A 24 9.236 -4.402 -0.801 1.00 0.55 H new ATOM 0 HA3 GLY A 24 9.759 -4.482 0.870 1.00 0.55 H new ATOM 361 N THR A 25 10.059 -1.628 -0.563 1.00 0.40 N ATOM 362 CA THR A 25 10.096 -0.225 -0.261 1.00 0.39 C ATOM 363 C THR A 25 9.542 0.625 -1.402 1.00 0.36 C ATOM 364 O THR A 25 9.588 0.231 -2.569 1.00 0.41 O ATOM 365 CB THR A 25 11.565 0.145 0.043 1.00 0.51 C ATOM 366 OG1 THR A 25 11.762 0.335 1.445 1.00 0.62 O ATOM 367 CG2 THR A 25 12.013 1.362 -0.734 1.00 0.47 C ATOM 0 H THR A 25 10.598 -1.884 -1.390 1.00 0.40 H new ATOM 0 HA THR A 25 9.460 -0.020 0.600 1.00 0.39 H new ATOM 0 HB THR A 25 12.184 -0.692 -0.281 1.00 0.51 H new ATOM 0 HG1 THR A 25 12.606 -0.082 1.716 1.00 0.62 H new ATOM 0 HG21 THR A 25 13.051 1.587 -0.491 1.00 0.47 H new ATOM 0 HG22 THR A 25 11.926 1.164 -1.802 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.386 2.213 -0.470 1.00 0.47 H new ATOM 375 N VAL A 26 8.989 1.776 -1.038 1.00 0.33 N ATOM 376 CA VAL A 26 8.542 2.763 -1.988 1.00 0.37 C ATOM 377 C VAL A 26 8.760 4.172 -1.439 1.00 0.35 C ATOM 378 O VAL A 26 8.695 4.392 -0.229 1.00 0.32 O ATOM 379 CB VAL A 26 7.062 2.571 -2.329 1.00 0.42 C ATOM 380 CG1 VAL A 26 6.904 1.549 -3.439 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.297 2.129 -1.106 1.00 0.41 C ATOM 0 H VAL A 26 8.841 2.044 -0.065 1.00 0.33 H new ATOM 0 HA VAL A 26 9.129 2.635 -2.897 1.00 0.37 H new ATOM 0 HB VAL A 26 6.659 3.524 -2.671 1.00 0.42 H new ATOM 0 HG11 VAL A 26 5.846 1.423 -3.670 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.431 1.893 -4.329 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.321 0.595 -3.117 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.246 1.996 -1.363 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.704 1.185 -0.744 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.387 2.886 -0.327 1.00 0.41 H new ATOM 391 N LEU A 27 9.034 5.108 -2.337 1.00 0.42 N ATOM 392 CA LEU A 27 9.234 6.516 -1.993 1.00 0.45 C ATOM 393 C LEU A 27 7.946 7.113 -1.451 1.00 0.43 C ATOM 394 O LEU A 27 7.105 7.560 -2.205 1.00 0.48 O ATOM 395 CB LEU A 27 9.701 7.263 -3.256 1.00 0.56 C ATOM 396 CG LEU A 27 9.359 6.570 -4.580 1.00 1.25 C ATOM 397 CD1 LEU A 27 7.892 6.770 -4.899 1.00 1.94 C ATOM 398 CD2 LEU A 27 10.237 7.079 -5.713 1.00 1.67 C ATOM 0 H LEU A 27 9.125 4.914 -3.334 1.00 0.42 H new ATOM 0 HA LEU A 27 9.992 6.610 -1.215 1.00 0.45 H new ATOM 0 HB2 LEU A 27 9.255 8.258 -3.258 1.00 0.56 H new ATOM 0 HB3 LEU A 27 10.781 7.398 -3.202 1.00 0.56 H new ATOM 0 HG LEU A 27 9.554 5.503 -4.473 1.00 1.25 H new ATOM 0 HD11 LEU A 27 7.654 6.276 -5.841 1.00 1.94 H new ATOM 0 HD12 LEU A 27 7.285 6.343 -4.101 1.00 1.94 H new ATOM 0 HD13 LEU A 27 7.680 7.836 -4.985 1.00 1.94 H new ATOM 0 HD21 LEU A 27 9.970 6.568 -6.638 1.00 1.67 H new ATOM 0 HD22 LEU A 27 10.088 8.152 -5.835 1.00 1.67 H new ATOM 0 HD23 LEU A 27 11.283 6.882 -5.479 1.00 1.67 H new ATOM 410 N LEU A 28 7.820 7.153 -0.130 1.00 0.45 N ATOM 411 CA LEU A 28 6.564 7.467 0.510 1.00 0.49 C ATOM 412 C LEU A 28 6.151 8.894 0.187 1.00 0.46 C ATOM 413 O LEU A 28 5.053 9.123 -0.280 1.00 0.46 O ATOM 414 CB LEU A 28 6.729 7.236 2.012 1.00 0.63 C ATOM 415 CG LEU A 28 6.427 8.417 2.923 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.926 8.641 3.062 1.00 0.83 C ATOM 417 CD2 LEU A 28 7.063 8.217 4.289 1.00 0.97 C ATOM 0 H LEU A 28 8.586 6.969 0.518 1.00 0.45 H new ATOM 0 HA LEU A 28 5.766 6.823 0.140 1.00 0.49 H new ATOM 0 HB2 LEU A 28 6.082 6.408 2.302 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.755 6.918 2.197 1.00 0.63 H new ATOM 0 HG LEU A 28 6.858 9.307 2.465 1.00 0.67 H new ATOM 0 HD11 LEU A 28 4.744 9.492 3.719 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.496 8.842 2.081 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.463 7.750 3.486 1.00 0.83 H new ATOM 0 HD21 LEU A 28 6.835 9.072 4.925 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.667 7.310 4.745 1.00 0.97 H new ATOM 0 HD23 LEU A 28 8.143 8.125 4.177 1.00 0.97 H new ATOM 429 N SER A 29 7.073 9.824 0.368 1.00 0.49 N ATOM 430 CA SER A 29 6.804 11.240 0.155 1.00 0.58 C ATOM 431 C SER A 29 6.628 11.515 -1.327 1.00 0.58 C ATOM 432 O SER A 29 5.790 12.325 -1.750 1.00 0.61 O ATOM 433 CB SER A 29 7.952 12.072 0.727 1.00 0.72 C ATOM 434 OG SER A 29 9.208 11.533 0.342 1.00 1.43 O ATOM 0 H SER A 29 8.027 9.622 0.666 1.00 0.49 H new ATOM 0 HA SER A 29 5.883 11.517 0.668 1.00 0.58 H new ATOM 0 HB2 SER A 29 7.870 13.101 0.377 1.00 0.72 H new ATOM 0 HB3 SER A 29 7.881 12.099 1.814 1.00 0.72 H new ATOM 0 HG SER A 29 9.928 12.082 0.717 1.00 1.43 H new ATOM 440 N THR A 30 7.380 10.775 -2.119 1.00 0.60 N ATOM 441 CA THR A 30 7.327 10.911 -3.538 1.00 0.68 C ATOM 442 C THR A 30 5.994 10.352 -4.017 1.00 0.65 C ATOM 443 O THR A 30 5.376 10.854 -4.963 1.00 0.74 O ATOM 444 CB THR A 30 8.532 10.211 -4.158 1.00 0.79 C ATOM 445 OG1 THR A 30 9.731 10.959 -3.912 1.00 1.42 O ATOM 446 CG2 THR A 30 8.320 10.008 -5.621 1.00 0.94 C ATOM 0 H THR A 30 8.037 10.070 -1.786 1.00 0.60 H new ATOM 0 HA THR A 30 7.382 11.955 -3.848 1.00 0.68 H new ATOM 0 HB THR A 30 8.644 9.232 -3.691 1.00 0.79 H new ATOM 0 HG1 THR A 30 10.494 10.495 -4.315 1.00 1.42 H new ATOM 0 HG21 THR A 30 9.189 9.507 -6.049 1.00 0.94 H new ATOM 0 HG22 THR A 30 7.433 9.394 -5.778 1.00 0.94 H new ATOM 0 HG23 THR A 30 8.183 10.974 -6.106 1.00 0.94 H new ATOM 454 N VAL A 31 5.543 9.341 -3.297 1.00 0.56 N ATOM 455 CA VAL A 31 4.223 8.783 -3.464 1.00 0.58 C ATOM 456 C VAL A 31 3.148 9.804 -3.084 1.00 0.56 C ATOM 457 O VAL A 31 2.176 9.945 -3.786 1.00 0.67 O ATOM 458 CB VAL A 31 4.074 7.486 -2.629 1.00 0.55 C ATOM 459 CG1 VAL A 31 2.635 7.212 -2.229 1.00 0.65 C ATOM 460 CG2 VAL A 31 4.613 6.312 -3.424 1.00 0.57 C ATOM 0 H VAL A 31 6.094 8.882 -2.572 1.00 0.56 H new ATOM 0 HA VAL A 31 4.087 8.530 -4.516 1.00 0.58 H new ATOM 0 HB VAL A 31 4.644 7.621 -1.710 1.00 0.55 H new ATOM 0 HG11 VAL A 31 2.588 6.292 -1.646 1.00 0.65 H new ATOM 0 HG12 VAL A 31 2.260 8.041 -1.629 1.00 0.65 H new ATOM 0 HG13 VAL A 31 2.022 7.106 -3.124 1.00 0.65 H new ATOM 0 HG21 VAL A 31 4.509 5.398 -2.839 1.00 0.57 H new ATOM 0 HG22 VAL A 31 4.052 6.213 -4.353 1.00 0.57 H new ATOM 0 HG23 VAL A 31 5.666 6.480 -3.652 1.00 0.57 H new ATOM 470 N THR A 32 3.341 10.543 -1.997 1.00 0.49 N ATOM 471 CA THR A 32 2.311 11.480 -1.525 1.00 0.52 C ATOM 472 C THR A 32 2.061 12.603 -2.525 1.00 0.64 C ATOM 473 O THR A 32 1.050 13.295 -2.427 1.00 0.72 O ATOM 474 CB THR A 32 2.601 12.087 -0.127 1.00 0.48 C ATOM 475 OG1 THR A 32 3.315 13.327 -0.235 1.00 0.67 O ATOM 476 CG2 THR A 32 3.405 11.143 0.720 1.00 0.52 C ATOM 0 H THR A 32 4.187 10.518 -1.428 1.00 0.49 H new ATOM 0 HA THR A 32 1.412 10.870 -1.431 1.00 0.52 H new ATOM 0 HB THR A 32 1.634 12.265 0.344 1.00 0.48 H new ATOM 0 HG1 THR A 32 4.152 13.181 -0.723 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.592 11.597 1.693 1.00 0.52 H new ATOM 0 HG22 THR A 32 2.852 10.213 0.853 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.355 10.933 0.229 1.00 0.52 H new ATOM 484 N ALA A 33 3.030 12.834 -3.417 1.00 0.69 N ATOM 485 CA ALA A 33 2.894 13.787 -4.541 1.00 0.82 C ATOM 486 C ALA A 33 1.692 13.532 -5.460 1.00 0.88 C ATOM 487 O ALA A 33 1.802 13.679 -6.681 1.00 0.93 O ATOM 488 CB ALA A 33 4.158 13.775 -5.362 1.00 0.89 C ATOM 0 H ALA A 33 3.936 12.367 -3.386 1.00 0.69 H new ATOM 0 HA ALA A 33 2.719 14.761 -4.084 1.00 0.82 H new ATOM 0 HB1 ALA A 33 4.060 14.476 -6.191 1.00 0.89 H new ATOM 0 HB2 ALA A 33 5.001 14.068 -4.736 1.00 0.89 H new ATOM 0 HB3 ALA A 33 4.328 12.772 -5.754 1.00 0.89 H new ATOM 494 N GLN A 34 0.556 13.187 -4.877 1.00 0.92 N ATOM 495 CA GLN A 34 -0.626 12.782 -5.616 1.00 0.98 C ATOM 496 C GLN A 34 -1.679 12.273 -4.665 1.00 0.91 C ATOM 497 O GLN A 34 -1.612 12.510 -3.460 1.00 0.81 O ATOM 498 CB GLN A 34 -0.274 11.656 -6.569 1.00 1.04 C ATOM 499 CG GLN A 34 0.438 10.510 -5.899 1.00 0.94 C ATOM 500 CD GLN A 34 1.708 10.114 -6.634 1.00 0.96 C ATOM 501 OE1 GLN A 34 1.695 9.209 -7.467 1.00 1.05 O ATOM 502 NE2 GLN A 34 2.812 10.813 -6.361 1.00 0.89 N ATOM 0 H GLN A 34 0.428 13.181 -3.865 1.00 0.92 H new ATOM 0 HA GLN A 34 -1.001 13.645 -6.167 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -1.187 11.285 -7.035 1.00 1.04 H new ATOM 0 HB3 GLN A 34 0.355 12.049 -7.368 1.00 1.04 H new ATOM 0 HG2 GLN A 34 0.685 10.787 -4.874 1.00 0.94 H new ATOM 0 HG3 GLN A 34 -0.231 9.651 -5.844 1.00 0.94 H new ATOM 0 HE21 GLN A 34 2.785 11.557 -5.664 1.00 0.89 H new ATOM 0 HE22 GLN A 34 3.682 10.603 -6.850 1.00 0.89 H new ATOM 511 N PHE A 35 -2.649 11.566 -5.211 1.00 0.98 N ATOM 512 CA PHE A 35 -3.529 10.764 -4.403 1.00 0.94 C ATOM 513 C PHE A 35 -3.177 9.294 -4.607 1.00 0.94 C ATOM 514 O PHE A 35 -3.648 8.652 -5.545 1.00 1.07 O ATOM 515 CB PHE A 35 -4.957 11.028 -4.847 1.00 1.08 C ATOM 516 CG PHE A 35 -5.593 12.238 -4.220 1.00 1.12 C ATOM 517 CD1 PHE A 35 -4.928 13.453 -4.175 1.00 1.15 C ATOM 518 CD2 PHE A 35 -6.866 12.159 -3.677 1.00 1.39 C ATOM 519 CE1 PHE A 35 -5.517 14.563 -3.603 1.00 1.25 C ATOM 520 CE2 PHE A 35 -7.462 13.266 -3.103 1.00 1.50 C ATOM 521 CZ PHE A 35 -6.785 14.468 -3.065 1.00 1.33 C ATOM 0 H PHE A 35 -2.843 11.535 -6.212 1.00 0.98 H new ATOM 0 HA PHE A 35 -3.424 11.013 -3.347 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -4.971 11.147 -5.930 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -5.564 10.153 -4.614 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -3.935 13.533 -4.593 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -7.399 11.220 -3.703 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -4.987 15.504 -3.576 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -8.455 13.191 -2.685 1.00 1.50 H new ATOM 0 HZ PHE A 35 -7.247 15.334 -2.615 1.00 1.33 H new ATOM 531 N PRO A 36 -2.301 8.764 -3.746 1.00 0.82 N ATOM 532 CA PRO A 36 -1.956 7.352 -3.696 1.00 0.85 C ATOM 533 C PRO A 36 -2.203 6.674 -2.339 1.00 0.77 C ATOM 534 O PRO A 36 -1.890 5.502 -2.160 1.00 0.83 O ATOM 535 CB PRO A 36 -0.464 7.486 -3.876 1.00 0.82 C ATOM 536 CG PRO A 36 -0.135 8.648 -2.983 1.00 0.67 C ATOM 537 CD PRO A 36 -1.373 9.511 -2.914 1.00 0.69 C ATOM 0 HA PRO A 36 -2.529 6.752 -4.403 1.00 0.85 H new ATOM 0 HB2 PRO A 36 0.064 6.581 -3.576 1.00 0.82 H new ATOM 0 HB3 PRO A 36 -0.196 7.683 -4.914 1.00 0.82 H new ATOM 0 HG2 PRO A 36 0.151 8.303 -1.990 1.00 0.67 H new ATOM 0 HG3 PRO A 36 0.708 9.213 -3.379 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -1.738 9.622 -1.893 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -1.194 10.515 -3.300 1.00 0.69 H new ATOM 545 N GLY A 37 -2.743 7.420 -1.385 1.00 0.67 N ATOM 546 CA GLY A 37 -2.680 7.009 0.012 1.00 0.60 C ATOM 547 C GLY A 37 -1.687 7.874 0.760 1.00 0.48 C ATOM 548 O GLY A 37 -1.673 7.927 1.976 1.00 0.51 O ATOM 0 H GLY A 37 -3.225 8.304 -1.549 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -3.666 7.093 0.470 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -2.386 5.962 0.079 1.00 0.60 H new ATOM 552 N ALA A 38 -0.866 8.553 -0.018 1.00 0.45 N ATOM 553 CA ALA A 38 0.076 9.561 0.444 1.00 0.40 C ATOM 554 C ALA A 38 0.988 9.074 1.568 1.00 0.35 C ATOM 555 O ALA A 38 2.027 8.472 1.312 1.00 0.43 O ATOM 556 CB ALA A 38 -0.658 10.826 0.850 1.00 0.41 C ATOM 0 H ALA A 38 -0.834 8.414 -1.028 1.00 0.45 H new ATOM 0 HA ALA A 38 0.732 9.780 -0.399 1.00 0.40 H new ATOM 0 HB1 ALA A 38 0.061 11.570 1.193 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -1.206 11.219 -0.006 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.357 10.599 1.655 1.00 0.41 H new ATOM 562 N SER A 39 0.570 9.296 2.803 1.00 0.32 N ATOM 563 CA SER A 39 1.452 9.141 3.948 1.00 0.34 C ATOM 564 C SER A 39 0.873 8.144 4.922 1.00 0.32 C ATOM 565 O SER A 39 1.407 7.916 6.008 1.00 0.48 O ATOM 566 CB SER A 39 1.648 10.482 4.644 1.00 0.41 C ATOM 567 OG SER A 39 2.221 11.446 3.773 1.00 1.11 O ATOM 0 H SER A 39 -0.379 9.585 3.039 1.00 0.32 H new ATOM 0 HA SER A 39 2.417 8.776 3.596 1.00 0.34 H new ATOM 0 HB2 SER A 39 0.688 10.846 5.009 1.00 0.41 H new ATOM 0 HB3 SER A 39 2.291 10.350 5.514 1.00 0.41 H new ATOM 0 HG SER A 39 2.331 12.294 4.251 1.00 1.11 H new ATOM 573 N GLY A 40 -0.232 7.561 4.525 1.00 0.36 N ATOM 574 CA GLY A 40 -0.906 6.622 5.356 1.00 0.35 C ATOM 575 C GLY A 40 -1.344 5.449 4.551 1.00 0.32 C ATOM 576 O GLY A 40 -1.205 5.451 3.330 1.00 0.39 O ATOM 0 H GLY A 40 -0.678 7.729 3.623 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.245 6.296 6.159 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -1.769 7.094 5.825 1.00 0.35 H new ATOM 580 N LEU A 41 -1.882 4.457 5.204 1.00 0.28 N ATOM 581 CA LEU A 41 -2.346 3.308 4.503 1.00 0.26 C ATOM 582 C LEU A 41 -3.461 2.626 5.271 1.00 0.25 C ATOM 583 O LEU A 41 -3.486 2.647 6.497 1.00 0.28 O ATOM 584 CB LEU A 41 -1.177 2.343 4.289 1.00 0.29 C ATOM 585 CG LEU A 41 -1.083 1.718 2.900 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.271 0.830 2.622 1.00 0.56 C ATOM 587 CD2 LEU A 41 -0.965 2.812 1.858 1.00 0.45 C ATOM 0 H LEU A 41 -2.007 4.427 6.216 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.744 3.615 3.536 1.00 0.26 H new ATOM 0 HB2 LEU A 41 -0.248 2.876 4.492 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.252 1.542 5.024 1.00 0.29 H new ATOM 0 HG LEU A 41 -0.193 1.091 2.856 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -2.177 0.398 1.626 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.309 0.030 3.362 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -3.186 1.419 2.678 1.00 0.56 H new ATOM 0 HD21 LEU A 41 -0.898 2.364 0.866 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -1.843 3.457 1.906 1.00 0.45 H new ATOM 0 HD23 LEU A 41 -0.070 3.403 2.051 1.00 0.45 H new ATOM 599 N ARG A 42 -4.414 2.107 4.535 1.00 0.23 N ATOM 600 CA ARG A 42 -5.314 1.085 5.030 1.00 0.21 C ATOM 601 C ARG A 42 -5.391 0.055 3.950 1.00 0.21 C ATOM 602 O ARG A 42 -5.174 0.406 2.820 1.00 0.27 O ATOM 603 CB ARG A 42 -6.685 1.631 5.274 1.00 0.24 C ATOM 604 CG ARG A 42 -6.665 2.869 6.109 1.00 0.32 C ATOM 605 CD ARG A 42 -8.061 3.411 6.191 1.00 0.39 C ATOM 606 NE ARG A 42 -8.165 4.572 7.073 1.00 0.99 N ATOM 607 CZ ARG A 42 -9.261 5.318 7.191 1.00 1.25 C ATOM 608 NH1 ARG A 42 -10.362 4.995 6.525 1.00 1.20 N ATOM 609 NH2 ARG A 42 -9.267 6.365 8.005 1.00 1.94 N ATOM 0 H ARG A 42 -4.591 2.382 3.569 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.950 0.685 5.976 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -7.162 1.848 4.318 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -7.292 0.873 5.768 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -6.286 2.647 7.106 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.996 3.610 5.671 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.398 3.688 5.192 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.730 2.628 6.548 1.00 0.39 H new ATOM 0 HE ARG A 42 -7.350 4.825 7.631 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -10.370 4.173 5.921 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -11.201 5.568 6.617 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -8.431 6.599 8.541 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -10.107 6.936 8.095 1.00 1.94 H new ATOM 623 N TYR A 43 -5.619 -1.196 4.227 1.00 0.22 N ATOM 624 CA TYR A 43 -5.882 -2.086 3.109 1.00 0.25 C ATOM 625 C TYR A 43 -6.736 -3.258 3.479 1.00 0.33 C ATOM 626 O TYR A 43 -6.898 -3.586 4.660 1.00 0.41 O ATOM 627 CB TYR A 43 -4.591 -2.570 2.474 1.00 0.26 C ATOM 628 CG TYR A 43 -3.796 -3.513 3.346 1.00 0.39 C ATOM 629 CD1 TYR A 43 -2.869 -3.033 4.249 1.00 0.70 C ATOM 630 CD2 TYR A 43 -3.994 -4.884 3.275 1.00 0.98 C ATOM 631 CE1 TYR A 43 -2.153 -3.893 5.063 1.00 0.77 C ATOM 632 CE2 TYR A 43 -3.287 -5.751 4.077 1.00 1.14 C ATOM 633 CZ TYR A 43 -2.368 -5.253 4.970 1.00 0.76 C ATOM 634 OH TYR A 43 -1.674 -6.122 5.782 1.00 0.97 O ATOM 0 H TYR A 43 -5.631 -1.616 5.157 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.440 -1.493 2.384 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -4.825 -3.070 1.534 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -3.972 -1.707 2.230 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -2.700 -1.969 4.321 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -4.717 -5.279 2.577 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -1.432 -3.503 5.766 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -3.453 -6.816 4.005 1.00 1.14 H new ATOM 0 HH TYR A 43 -2.105 -7.002 5.764 1.00 0.97 H new ATOM 644 N ARG A 44 -7.234 -3.895 2.425 1.00 0.35 N ATOM 645 CA ARG A 44 -8.074 -5.058 2.530 1.00 0.43 C ATOM 646 C ARG A 44 -7.273 -6.282 2.110 1.00 0.47 C ATOM 647 O ARG A 44 -6.578 -6.271 1.076 1.00 0.50 O ATOM 648 CB ARG A 44 -9.322 -4.892 1.665 1.00 0.57 C ATOM 649 CG ARG A 44 -10.158 -3.681 2.048 1.00 1.17 C ATOM 650 CD ARG A 44 -11.454 -3.617 1.256 1.00 1.33 C ATOM 651 NE ARG A 44 -12.273 -4.808 1.462 1.00 1.56 N ATOM 652 CZ ARG A 44 -13.487 -4.799 2.014 1.00 1.98 C ATOM 653 NH1 ARG A 44 -14.054 -3.656 2.385 1.00 2.27 N ATOM 654 NH2 ARG A 44 -14.132 -5.941 2.196 1.00 2.72 N ATOM 0 H ARG A 44 -7.056 -3.605 1.464 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.404 -5.185 3.561 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -9.023 -4.804 0.620 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.935 -5.790 1.747 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.385 -3.718 3.114 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -9.581 -2.772 1.876 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -12.018 -2.732 1.552 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -11.227 -3.511 0.195 1.00 1.33 H new ATOM 0 HE ARG A 44 -11.892 -5.706 1.164 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -13.560 -2.774 2.249 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -14.983 -3.661 2.806 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -13.700 -6.821 1.915 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -15.061 -5.941 2.618 1.00 2.72 H new ATOM 668 N ASN A 45 -7.397 -7.325 2.917 1.00 0.55 N ATOM 669 CA ASN A 45 -6.488 -8.453 2.899 1.00 0.90 C ATOM 670 C ASN A 45 -7.252 -9.777 2.919 1.00 1.23 C ATOM 671 O ASN A 45 -8.110 -9.977 3.761 1.00 1.89 O ATOM 672 CB ASN A 45 -5.601 -8.323 4.139 1.00 1.76 C ATOM 673 CG ASN A 45 -4.442 -9.301 4.195 1.00 2.34 C ATOM 674 OD1 ASN A 45 -4.019 -9.846 3.182 1.00 3.04 O ATOM 675 ND2 ASN A 45 -3.886 -9.489 5.381 1.00 2.60 N ATOM 0 H ASN A 45 -8.141 -7.409 3.609 1.00 0.55 H new ATOM 0 HA ASN A 45 -5.891 -8.450 1.987 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -5.205 -7.308 4.181 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -6.218 -8.461 5.027 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -3.078 -10.105 5.474 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -4.265 -9.018 6.203 1.00 2.60 H new ATOM 723 N GLN A 49 -8.484 -9.378 6.618 1.00 1.21 N ATOM 724 CA GLN A 49 -8.851 -8.176 5.898 1.00 1.14 C ATOM 725 C GLN A 49 -8.997 -6.924 6.765 1.00 1.20 C ATOM 726 O GLN A 49 -9.763 -6.014 6.442 1.00 1.90 O ATOM 727 CB GLN A 49 -10.118 -8.406 5.139 1.00 1.97 C ATOM 728 CG GLN A 49 -10.150 -7.519 3.942 1.00 2.63 C ATOM 729 CD GLN A 49 -10.902 -8.074 2.772 1.00 3.38 C ATOM 730 OE1 GLN A 49 -12.107 -7.891 2.624 1.00 4.20 O ATOM 731 NE2 GLN A 49 -10.164 -8.736 1.919 1.00 3.27 N ATOM 0 HA GLN A 49 -8.017 -7.976 5.225 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -10.186 -9.450 4.833 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -10.978 -8.204 5.777 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -10.597 -6.566 4.225 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -9.126 -7.312 3.633 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -9.166 -8.857 2.094 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -10.586 -9.131 1.079 1.00 3.27 H new ATOM 740 N SER A 50 -8.287 -6.889 7.854 1.00 0.86 N ATOM 741 CA SER A 50 -8.224 -5.697 8.687 1.00 0.87 C ATOM 742 C SER A 50 -7.642 -4.534 7.890 1.00 0.98 C ATOM 743 O SER A 50 -6.606 -4.693 7.239 1.00 1.72 O ATOM 744 CB SER A 50 -7.379 -5.960 9.916 1.00 0.91 C ATOM 745 OG SER A 50 -7.797 -7.147 10.574 1.00 1.46 O ATOM 0 H SER A 50 -7.734 -7.674 8.199 1.00 0.86 H new ATOM 0 HA SER A 50 -9.234 -5.438 9.006 1.00 0.87 H new ATOM 0 HB2 SER A 50 -6.331 -6.048 9.630 1.00 0.91 H new ATOM 0 HB3 SER A 50 -7.453 -5.115 10.600 1.00 0.91 H new ATOM 0 HG SER A 50 -7.236 -7.298 11.364 1.00 1.46 H new ATOM 751 N MET A 51 -8.324 -3.387 7.918 1.00 0.51 N ATOM 752 CA MET A 51 -7.853 -2.190 7.226 1.00 0.48 C ATOM 753 C MET A 51 -6.549 -1.713 7.850 1.00 0.44 C ATOM 754 O MET A 51 -6.540 -0.887 8.759 1.00 0.59 O ATOM 755 CB MET A 51 -8.907 -1.064 7.247 1.00 0.57 C ATOM 756 CG MET A 51 -9.495 -0.761 8.621 1.00 1.07 C ATOM 757 SD MET A 51 -10.619 -2.044 9.210 1.00 1.84 S ATOM 758 CE MET A 51 -11.062 -1.381 10.815 1.00 2.35 C ATOM 0 H MET A 51 -9.206 -3.264 8.415 1.00 0.51 H new ATOM 0 HA MET A 51 -7.679 -2.450 6.182 1.00 0.48 H new ATOM 0 HB2 MET A 51 -8.454 -0.154 6.853 1.00 0.57 H new ATOM 0 HB3 MET A 51 -9.719 -1.334 6.572 1.00 0.57 H new ATOM 0 HG2 MET A 51 -8.683 -0.641 9.338 1.00 1.07 H new ATOM 0 HG3 MET A 51 -10.028 0.189 8.580 1.00 1.07 H new ATOM 0 HE1 MET A 51 -11.756 -2.060 11.310 1.00 2.35 H new ATOM 0 HE2 MET A 51 -10.164 -1.271 11.424 1.00 2.35 H new ATOM 0 HE3 MET A 51 -11.536 -0.408 10.688 1.00 2.35 H new ATOM 768 N ARG A 52 -5.445 -2.249 7.361 1.00 0.35 N ATOM 769 CA ARG A 52 -4.160 -1.995 7.979 1.00 0.36 C ATOM 770 C ARG A 52 -3.360 -0.960 7.230 1.00 0.28 C ATOM 771 O ARG A 52 -3.444 -0.838 6.014 1.00 0.30 O ATOM 772 CB ARG A 52 -3.341 -3.273 8.080 1.00 0.48 C ATOM 773 CG ARG A 52 -1.939 -3.052 8.575 1.00 0.75 C ATOM 774 CD ARG A 52 -1.274 -4.376 8.804 1.00 0.70 C ATOM 775 NE ARG A 52 0.058 -4.228 9.387 1.00 1.42 N ATOM 776 CZ ARG A 52 0.423 -4.746 10.557 1.00 1.76 C ATOM 777 NH1 ARG A 52 -0.458 -5.409 11.301 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.662 -4.571 10.995 1.00 2.48 N ATOM 0 H ARG A 52 -5.414 -2.858 6.544 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.372 -1.612 8.977 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -3.848 -3.968 8.749 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.301 -3.747 7.099 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.373 -2.470 7.848 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -1.955 -2.477 9.501 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -1.893 -4.983 9.465 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -1.198 -4.912 7.858 1.00 0.70 H new ATOM 0 HE ARG A 52 0.752 -3.694 8.864 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -1.418 -5.522 10.975 1.00 1.81 H new ATOM 0 HH12 ARG A 52 -0.174 -5.804 12.197 1.00 1.81 H new ATOM 0 HH21 ARG A 52 2.331 -4.041 10.436 1.00 2.48 H new ATOM 0 HH22 ARG A 52 1.947 -4.966 11.891 1.00 2.48 H new ATOM 792 N GLY A 53 -2.595 -0.230 7.998 1.00 0.32 N ATOM 793 CA GLY A 53 -1.656 0.725 7.467 1.00 0.35 C ATOM 794 C GLY A 53 -0.252 0.182 7.281 1.00 0.32 C ATOM 795 O GLY A 53 0.177 -0.757 7.952 1.00 0.41 O ATOM 0 H GLY A 53 -2.605 -0.281 9.017 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -2.025 1.084 6.506 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.615 1.586 8.134 1.00 0.35 H new ATOM 799 N VAL A 54 0.441 0.811 6.357 1.00 0.31 N ATOM 800 CA VAL A 54 1.779 0.421 5.926 1.00 0.31 C ATOM 801 C VAL A 54 2.862 1.294 6.586 1.00 0.28 C ATOM 802 O VAL A 54 2.660 2.488 6.815 1.00 0.29 O ATOM 803 CB VAL A 54 1.883 0.476 4.380 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.321 0.364 3.904 1.00 0.40 C ATOM 805 CG2 VAL A 54 1.047 -0.636 3.761 1.00 0.43 C ATOM 0 H VAL A 54 0.085 1.632 5.867 1.00 0.31 H new ATOM 0 HA VAL A 54 1.952 -0.606 6.248 1.00 0.31 H new ATOM 0 HB VAL A 54 1.501 1.445 4.060 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.348 0.407 2.815 1.00 0.40 H new ATOM 0 HG12 VAL A 54 3.905 1.188 4.314 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.743 -0.583 4.240 1.00 0.40 H new ATOM 0 HG21 VAL A 54 1.126 -0.589 2.675 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.411 -1.602 4.110 1.00 0.43 H new ATOM 0 HG23 VAL A 54 0.004 -0.514 4.054 1.00 0.43 H new ATOM 815 N ARG A 55 3.992 0.665 6.902 1.00 0.30 N ATOM 816 CA ARG A 55 5.100 1.275 7.604 1.00 0.33 C ATOM 817 C ARG A 55 5.737 2.435 6.845 1.00 0.33 C ATOM 818 O ARG A 55 5.912 2.366 5.643 1.00 0.36 O ATOM 819 CB ARG A 55 6.146 0.214 7.796 1.00 0.42 C ATOM 820 CG ARG A 55 6.548 0.096 9.214 1.00 0.63 C ATOM 821 CD ARG A 55 7.456 1.245 9.560 1.00 1.67 C ATOM 822 NE ARG A 55 8.045 1.107 10.891 1.00 2.30 N ATOM 823 CZ ARG A 55 8.902 1.966 11.444 1.00 3.38 C ATOM 824 NH1 ARG A 55 9.184 3.122 10.859 1.00 4.11 N ATOM 825 NH2 ARG A 55 9.449 1.678 12.616 1.00 3.89 N ATOM 0 H ARG A 55 4.159 -0.313 6.666 1.00 0.30 H new ATOM 0 HA ARG A 55 4.718 1.678 8.542 1.00 0.33 H new ATOM 0 HB2 ARG A 55 5.762 -0.744 7.445 1.00 0.42 H new ATOM 0 HB3 ARG A 55 7.020 0.449 7.188 1.00 0.42 H new ATOM 0 HG2 ARG A 55 5.668 0.104 9.857 1.00 0.63 H new ATOM 0 HG3 ARG A 55 7.058 -0.852 9.384 1.00 0.63 H new ATOM 0 HD2 ARG A 55 8.252 1.312 8.818 1.00 1.67 H new ATOM 0 HD3 ARG A 55 6.894 2.177 9.509 1.00 1.67 H new ATOM 0 HE ARG A 55 7.779 0.289 11.440 1.00 2.30 H new ATOM 0 HH11 ARG A 55 8.743 3.366 9.972 1.00 4.11 H new ATOM 0 HH12 ARG A 55 9.842 3.768 11.296 1.00 4.11 H new ATOM 0 HH21 ARG A 55 9.214 0.805 13.088 1.00 3.89 H new ATOM 0 HH22 ARG A 55 10.106 2.329 13.046 1.00 3.89 H new ATOM 839 N LEU A 56 6.064 3.508 7.548 1.00 0.37 N ATOM 840 CA LEU A 56 6.884 4.568 6.967 1.00 0.38 C ATOM 841 C LEU A 56 8.224 4.675 7.708 1.00 0.40 C ATOM 842 O LEU A 56 8.251 4.788 8.931 1.00 0.48 O ATOM 843 CB LEU A 56 6.126 5.902 6.972 1.00 0.45 C ATOM 844 CG LEU A 56 5.557 6.350 8.314 1.00 0.58 C ATOM 845 CD1 LEU A 56 6.497 7.326 9.010 1.00 1.48 C ATOM 846 CD2 LEU A 56 4.180 6.966 8.123 1.00 1.53 C ATOM 0 H LEU A 56 5.779 3.671 8.514 1.00 0.37 H new ATOM 0 HA LEU A 56 7.098 4.317 5.928 1.00 0.38 H new ATOM 0 HB2 LEU A 56 6.799 6.679 6.609 1.00 0.45 H new ATOM 0 HB3 LEU A 56 5.305 5.832 6.258 1.00 0.45 H new ATOM 0 HG LEU A 56 5.458 5.473 8.954 1.00 0.58 H new ATOM 0 HD11 LEU A 56 6.066 7.629 9.964 1.00 1.48 H new ATOM 0 HD12 LEU A 56 7.459 6.844 9.183 1.00 1.48 H new ATOM 0 HD13 LEU A 56 6.640 8.205 8.381 1.00 1.48 H new ATOM 0 HD21 LEU A 56 3.785 7.281 9.089 1.00 1.53 H new ATOM 0 HD22 LEU A 56 4.256 7.830 7.463 1.00 1.53 H new ATOM 0 HD23 LEU A 56 3.510 6.229 7.681 1.00 1.53 H new ATOM 858 N VAL A 57 9.335 4.569 6.972 1.00 0.37 N ATOM 859 CA VAL A 57 10.669 4.659 7.562 1.00 0.42 C ATOM 860 C VAL A 57 11.544 5.558 6.708 1.00 0.44 C ATOM 861 O VAL A 57 11.698 5.284 5.542 1.00 0.43 O ATOM 862 CB VAL A 57 11.371 3.284 7.606 1.00 0.44 C ATOM 863 CG1 VAL A 57 12.466 3.277 8.661 1.00 0.53 C ATOM 864 CG2 VAL A 57 10.385 2.150 7.839 1.00 0.49 C ATOM 0 H VAL A 57 9.333 4.420 5.963 1.00 0.37 H new ATOM 0 HA VAL A 57 10.542 5.046 8.573 1.00 0.42 H new ATOM 0 HB VAL A 57 11.827 3.117 6.630 1.00 0.44 H new ATOM 0 HG11 VAL A 57 12.949 2.300 8.677 1.00 0.53 H new ATOM 0 HG12 VAL A 57 13.204 4.043 8.424 1.00 0.53 H new ATOM 0 HG13 VAL A 57 12.030 3.483 9.639 1.00 0.53 H new ATOM 0 HG21 VAL A 57 10.921 1.201 7.863 1.00 0.49 H new ATOM 0 HG22 VAL A 57 9.874 2.302 8.790 1.00 0.49 H new ATOM 0 HG23 VAL A 57 9.653 2.133 7.032 1.00 0.49 H new ATOM 874 N GLU A 58 12.110 6.616 7.272 1.00 0.53 N ATOM 875 CA GLU A 58 13.090 7.447 6.552 1.00 0.60 C ATOM 876 C GLU A 58 12.522 8.003 5.241 1.00 0.54 C ATOM 877 O GLU A 58 13.239 8.116 4.247 1.00 0.60 O ATOM 878 CB GLU A 58 14.337 6.617 6.236 1.00 0.71 C ATOM 879 CG GLU A 58 14.933 5.937 7.448 1.00 0.78 C ATOM 880 CD GLU A 58 16.029 4.958 7.085 1.00 1.12 C ATOM 881 OE1 GLU A 58 17.002 5.364 6.417 1.00 1.51 O ATOM 882 OE2 GLU A 58 15.928 3.775 7.472 1.00 1.50 O ATOM 0 H GLU A 58 11.914 6.926 8.224 1.00 0.53 H new ATOM 0 HA GLU A 58 13.340 8.288 7.199 1.00 0.60 H new ATOM 0 HB2 GLU A 58 14.082 5.861 5.494 1.00 0.71 H new ATOM 0 HB3 GLU A 58 15.090 7.264 5.786 1.00 0.71 H new ATOM 0 HG2 GLU A 58 15.335 6.693 8.123 1.00 0.78 H new ATOM 0 HG3 GLU A 58 14.146 5.412 7.989 1.00 0.78 H new ATOM 889 N GLY A 59 11.241 8.352 5.237 1.00 0.49 N ATOM 890 CA GLY A 59 10.605 8.816 4.014 1.00 0.49 C ATOM 891 C GLY A 59 10.268 7.676 3.068 1.00 0.45 C ATOM 892 O GLY A 59 9.887 7.901 1.916 1.00 0.51 O ATOM 0 H GLY A 59 10.632 8.323 6.054 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.693 9.358 4.265 1.00 0.49 H new ATOM 0 HA3 GLY A 59 11.266 9.521 3.509 1.00 0.49 H new ATOM 896 N ILE A 60 10.425 6.454 3.547 1.00 0.38 N ATOM 897 CA ILE A 60 10.077 5.272 2.785 1.00 0.35 C ATOM 898 C ILE A 60 8.779 4.676 3.282 1.00 0.31 C ATOM 899 O ILE A 60 8.455 4.782 4.460 1.00 0.32 O ATOM 900 CB ILE A 60 11.102 4.168 2.909 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.503 4.722 2.929 1.00 0.43 C ATOM 902 CG2 ILE A 60 10.926 3.220 1.750 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.515 3.663 3.169 1.00 0.49 C ATOM 0 H ILE A 60 10.798 6.256 4.476 1.00 0.38 H new ATOM 0 HA ILE A 60 10.011 5.612 1.752 1.00 0.35 H new ATOM 0 HB ILE A 60 10.950 3.640 3.851 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.712 5.215 1.979 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.582 5.482 3.707 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.658 2.416 1.823 1.00 0.38 H new ATOM 0 HG22 ILE A 60 9.921 2.799 1.774 1.00 0.38 H new ATOM 0 HG23 ILE A 60 11.071 3.759 0.814 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.511 4.106 3.176 1.00 0.49 H new ATOM 0 HD12 ILE A 60 13.323 3.188 4.131 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.455 2.916 2.377 1.00 0.49 H new ATOM 915 N LEU A 61 8.043 4.053 2.395 1.00 0.31 N ATOM 916 CA LEU A 61 6.889 3.272 2.792 1.00 0.31 C ATOM 917 C LEU A 61 7.284 1.794 2.756 1.00 0.31 C ATOM 918 O LEU A 61 7.640 1.272 1.697 1.00 0.35 O ATOM 919 CB LEU A 61 5.709 3.559 1.856 1.00 0.37 C ATOM 920 CG LEU A 61 4.329 3.228 2.421 1.00 0.69 C ATOM 921 CD1 LEU A 61 4.010 4.117 3.615 1.00 0.94 C ATOM 922 CD2 LEU A 61 3.265 3.383 1.346 1.00 1.07 C ATOM 0 H LEU A 61 8.220 4.069 1.391 1.00 0.31 H new ATOM 0 HA LEU A 61 6.572 3.538 3.801 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.729 4.615 1.587 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.851 2.993 0.935 1.00 0.37 H new ATOM 0 HG LEU A 61 4.336 2.191 2.757 1.00 0.69 H new ATOM 0 HD11 LEU A 61 3.023 3.865 4.003 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.756 3.961 4.394 1.00 0.94 H new ATOM 0 HD13 LEU A 61 4.022 5.162 3.304 1.00 0.94 H new ATOM 0 HD21 LEU A 61 2.287 3.144 1.764 1.00 1.07 H new ATOM 0 HD22 LEU A 61 3.262 4.411 0.982 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.482 2.706 0.519 1.00 1.07 H new ATOM 934 N HIS A 62 7.272 1.136 3.912 1.00 0.33 N ATOM 935 CA HIS A 62 7.720 -0.243 4.009 1.00 0.38 C ATOM 936 C HIS A 62 6.548 -1.209 4.151 1.00 0.40 C ATOM 937 O HIS A 62 5.730 -1.092 5.075 1.00 0.38 O ATOM 938 CB HIS A 62 8.659 -0.403 5.205 1.00 0.48 C ATOM 939 CG HIS A 62 9.952 -1.076 4.863 1.00 0.63 C ATOM 940 ND1 HIS A 62 10.239 -2.386 5.179 1.00 1.41 N ATOM 941 CD2 HIS A 62 11.043 -0.602 4.221 1.00 1.33 C ATOM 942 CE1 HIS A 62 11.451 -2.684 4.746 1.00 1.50 C ATOM 943 NE2 HIS A 62 11.960 -1.618 4.157 1.00 1.43 N ATOM 0 H HIS A 62 6.956 1.539 4.794 1.00 0.33 H new ATOM 0 HA HIS A 62 8.248 -0.484 3.086 1.00 0.38 H new ATOM 0 HB2 HIS A 62 8.870 0.580 5.625 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.153 -0.979 5.980 1.00 0.48 H new ATOM 0 HD2 HIS A 62 11.169 0.397 3.829 1.00 1.33 H new ATOM 0 HE1 HIS A 62 11.943 -3.639 4.856 1.00 1.50 H new ATOM 0 HE2 HIS A 62 12.883 -1.560 3.726 1.00 1.43 H new ATOM 952 N ALA A 63 6.477 -2.151 3.218 1.00 0.54 N ATOM 953 CA ALA A 63 5.553 -3.253 3.277 1.00 0.58 C ATOM 954 C ALA A 63 5.861 -4.143 4.484 1.00 0.68 C ATOM 955 O ALA A 63 6.948 -4.050 5.055 1.00 0.83 O ATOM 956 CB ALA A 63 5.651 -4.030 1.983 1.00 0.72 C ATOM 0 H ALA A 63 7.073 -2.162 2.391 1.00 0.54 H new ATOM 0 HA ALA A 63 4.535 -2.884 3.398 1.00 0.58 H new ATOM 0 HB1 ALA A 63 4.957 -4.870 2.010 1.00 0.72 H new ATOM 0 HB2 ALA A 63 5.399 -3.378 1.147 1.00 0.72 H new ATOM 0 HB3 ALA A 63 6.668 -4.403 1.859 1.00 0.72 H new ATOM 962 N PRO A 64 4.919 -5.015 4.894 1.00 0.81 N ATOM 963 CA PRO A 64 5.067 -5.850 6.089 1.00 1.14 C ATOM 964 C PRO A 64 6.248 -6.806 5.971 1.00 1.27 C ATOM 965 O PRO A 64 6.788 -7.002 4.881 1.00 1.16 O ATOM 966 CB PRO A 64 3.741 -6.612 6.182 1.00 1.29 C ATOM 967 CG PRO A 64 2.812 -5.851 5.306 1.00 1.16 C ATOM 968 CD PRO A 64 3.669 -5.347 4.192 1.00 0.81 C ATOM 0 HA PRO A 64 5.272 -5.256 6.980 1.00 1.14 H new ATOM 0 HB2 PRO A 64 3.851 -7.642 5.844 1.00 1.29 H new ATOM 0 HB3 PRO A 64 3.377 -6.651 7.209 1.00 1.29 H new ATOM 0 HG2 PRO A 64 2.010 -6.487 4.932 1.00 1.16 H new ATOM 0 HG3 PRO A 64 2.342 -5.030 5.846 1.00 1.16 H new ATOM 0 HD2 PRO A 64 3.822 -6.102 3.421 1.00 0.81 H new ATOM 0 HD3 PRO A 64 3.232 -4.476 3.703 1.00 0.81 H new ATOM 976 N ASP A 65 6.624 -7.396 7.100 1.00 1.69 N ATOM 977 CA ASP A 65 7.853 -8.188 7.237 1.00 2.00 C ATOM 978 C ASP A 65 8.103 -9.113 6.061 1.00 1.88 C ATOM 979 O ASP A 65 9.214 -9.194 5.537 1.00 2.05 O ATOM 980 CB ASP A 65 7.711 -9.084 8.465 1.00 2.48 C ATOM 981 CG ASP A 65 8.200 -8.440 9.743 1.00 2.81 C ATOM 982 OD1 ASP A 65 7.347 -8.064 10.576 1.00 2.88 O ATOM 983 OD2 ASP A 65 9.426 -8.306 9.926 1.00 3.12 O ATOM 0 H ASP A 65 6.080 -7.340 7.961 1.00 1.69 H new ATOM 0 HA ASP A 65 8.678 -7.479 7.306 1.00 2.00 H new ATOM 0 HB2 ASP A 65 6.663 -9.359 8.584 1.00 2.48 H new ATOM 0 HB3 ASP A 65 8.266 -10.007 8.297 1.00 2.48 H new ATOM 988 N ALA A 66 7.063 -9.797 5.656 1.00 1.72 N ATOM 989 CA ALA A 66 7.164 -10.810 4.633 1.00 1.72 C ATOM 990 C ALA A 66 6.424 -10.389 3.379 1.00 1.60 C ATOM 991 O ALA A 66 6.803 -10.750 2.268 1.00 2.08 O ATOM 992 CB ALA A 66 6.572 -12.077 5.187 1.00 2.14 C ATOM 0 H ALA A 66 6.121 -9.668 6.026 1.00 1.72 H new ATOM 0 HA ALA A 66 8.208 -10.961 4.359 1.00 1.72 H new ATOM 0 HB1 ALA A 66 6.633 -12.865 4.437 1.00 2.14 H new ATOM 0 HB2 ALA A 66 7.126 -12.379 6.076 1.00 2.14 H new ATOM 0 HB3 ALA A 66 5.528 -11.906 5.450 1.00 2.14 H new ATOM 998 N GLY A 67 5.378 -9.601 3.570 1.00 1.28 N ATOM 999 CA GLY A 67 4.498 -9.252 2.494 1.00 1.56 C ATOM 1000 C GLY A 67 3.677 -10.413 1.992 1.00 1.12 C ATOM 1001 O GLY A 67 4.188 -11.485 1.678 1.00 1.42 O ATOM 0 H GLY A 67 5.126 -9.194 4.471 1.00 1.28 H new ATOM 0 HA2 GLY A 67 3.828 -8.459 2.825 1.00 1.56 H new ATOM 0 HA3 GLY A 67 5.086 -8.849 1.670 1.00 1.56 H new ATOM 1005 N TRP A 68 2.385 -10.173 1.925 1.00 0.81 N ATOM 1006 CA TRP A 68 1.412 -11.177 1.590 1.00 0.98 C ATOM 1007 C TRP A 68 1.320 -11.285 0.093 1.00 1.13 C ATOM 1008 O TRP A 68 1.236 -12.366 -0.485 1.00 1.83 O ATOM 1009 CB TRP A 68 0.084 -10.722 2.173 1.00 1.31 C ATOM 1010 CG TRP A 68 0.261 -9.849 3.387 1.00 1.41 C ATOM 1011 CD1 TRP A 68 -0.277 -8.617 3.597 1.00 1.54 C ATOM 1012 CD2 TRP A 68 1.070 -10.127 4.537 1.00 1.97 C ATOM 1013 NE1 TRP A 68 0.148 -8.114 4.801 1.00 1.59 N ATOM 1014 CE2 TRP A 68 0.961 -9.032 5.406 1.00 2.00 C ATOM 1015 CE3 TRP A 68 1.866 -11.203 4.910 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 1.618 -8.987 6.633 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 2.525 -11.162 6.124 1.00 3.69 C ATOM 1018 CH2 TRP A 68 2.392 -10.060 6.977 1.00 3.62 C ATOM 0 H TRP A 68 1.979 -9.255 2.106 1.00 0.81 H new ATOM 0 HA TRP A 68 1.684 -12.154 1.990 1.00 0.98 H new ATOM 0 HB2 TRP A 68 -0.475 -10.175 1.414 1.00 1.31 H new ATOM 0 HB3 TRP A 68 -0.511 -11.595 2.440 1.00 1.31 H new ATOM 0 HD1 TRP A 68 -0.942 -8.109 2.915 1.00 1.54 H new ATOM 0 HE1 TRP A 68 -0.102 -7.202 5.183 1.00 1.59 H new ATOM 0 HE3 TRP A 68 1.968 -12.060 4.260 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 1.520 -8.135 7.289 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 3.151 -11.991 6.419 1.00 3.69 H new ATOM 0 HH2 TRP A 68 2.910 -10.057 7.924 1.00 3.62 H new ATOM 1029 N GLY A 69 1.318 -10.126 -0.511 1.00 0.79 N ATOM 1030 CA GLY A 69 1.358 -10.025 -1.938 1.00 1.13 C ATOM 1031 C GLY A 69 1.269 -8.602 -2.388 1.00 1.01 C ATOM 1032 O GLY A 69 2.273 -7.956 -2.662 1.00 1.78 O ATOM 0 H GLY A 69 1.289 -9.230 -0.025 1.00 0.79 H new ATOM 0 HA2 GLY A 69 2.282 -10.468 -2.310 1.00 1.13 H new ATOM 0 HA3 GLY A 69 0.535 -10.596 -2.368 1.00 1.13 H new ATOM 1036 N ASN A 70 0.050 -8.107 -2.389 1.00 0.53 N ATOM 1037 CA ASN A 70 -0.260 -6.806 -2.932 1.00 0.40 C ATOM 1038 C ASN A 70 -1.279 -6.145 -2.076 1.00 0.60 C ATOM 1039 O ASN A 70 -1.007 -5.102 -1.496 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.777 -6.891 -4.368 1.00 0.55 C ATOM 1041 CG ASN A 70 -1.534 -8.162 -4.709 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -2.157 -8.794 -3.851 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -1.509 -8.527 -5.979 1.00 0.75 N ATOM 0 H ASN A 70 -0.758 -8.601 -2.010 1.00 0.53 H new ATOM 0 HA ASN A 70 0.661 -6.223 -2.947 1.00 0.40 H new ATOM 0 HB2 ASN A 70 -1.430 -6.038 -4.553 1.00 0.55 H new ATOM 0 HB3 ASN A 70 0.070 -6.798 -5.048 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -2.017 -9.359 -6.281 1.00 0.75 H new ATOM 0 HD22 ASN A 70 -0.982 -7.977 -6.657 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.424 -6.805 -1.951 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.557 -6.307 -1.211 1.00 0.40 C ATOM 1052 C LEU A 71 -3.995 -4.996 -1.754 1.00 0.36 C ATOM 1053 O LEU A 71 -3.204 -4.220 -2.257 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.235 -6.121 0.247 1.00 0.39 C ATOM 1055 CG LEU A 71 -2.456 -7.259 0.940 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -2.827 -8.623 0.375 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -0.958 -7.012 0.872 1.00 0.84 C ATOM 0 H LEU A 71 -2.585 -7.719 -2.373 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.349 -7.049 -1.312 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.659 -5.202 0.353 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.171 -5.974 0.785 1.00 0.39 H new ATOM 0 HG LEU A 71 -2.744 -7.264 1.991 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -2.257 -9.397 0.889 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -3.893 -8.800 0.521 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -2.597 -8.650 -0.690 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -0.432 -7.828 1.367 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -0.645 -6.958 -0.171 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -0.721 -6.072 1.371 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.246 -4.730 -1.612 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.781 -3.523 -2.149 1.00 0.38 C ATOM 1071 C VAL A 72 -5.711 -2.442 -1.087 1.00 0.31 C ATOM 1072 O VAL A 72 -6.446 -2.462 -0.095 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.202 -3.761 -2.626 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -7.921 -4.579 -1.571 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -7.889 -2.442 -2.916 1.00 0.82 C ATOM 0 H VAL A 72 -5.918 -5.328 -1.131 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.200 -3.194 -3.010 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.212 -4.319 -3.562 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -8.947 -4.764 -1.890 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -7.406 -5.530 -1.435 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -7.928 -4.032 -0.628 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -8.907 -2.629 -3.257 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -7.916 -1.838 -2.009 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.339 -1.908 -3.691 1.00 0.82 H new ATOM 1085 N TYR A 73 -4.789 -1.527 -1.282 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.590 -0.459 -0.336 1.00 0.26 C ATOM 1087 C TYR A 73 -5.631 0.638 -0.488 1.00 0.27 C ATOM 1088 O TYR A 73 -6.110 0.931 -1.577 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.196 0.126 -0.504 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.090 -0.892 -0.366 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -0.925 -0.776 -1.106 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.205 -1.955 0.514 1.00 0.27 C ATOM 1093 CE1 TYR A 73 0.096 -1.694 -0.968 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -1.193 -2.878 0.656 1.00 0.32 C ATOM 1095 CZ TYR A 73 -0.042 -2.741 -0.083 1.00 0.36 C ATOM 1096 OH TYR A 73 0.968 -3.666 0.051 1.00 0.42 O ATOM 0 H TYR A 73 -4.166 -1.503 -2.089 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.698 -0.880 0.664 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.125 0.596 -1.485 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -3.049 0.911 0.237 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -0.814 0.044 -1.800 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -3.106 -2.062 1.100 1.00 0.27 H new ATOM 0 HE1 TYR A 73 0.999 -1.592 -1.551 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -1.303 -3.704 1.343 1.00 0.32 H new ATOM 0 HH TYR A 73 0.707 -4.502 -0.389 1.00 0.42 H new ATOM 1106 N VAL A 74 -5.987 1.177 0.659 1.00 0.26 N ATOM 1107 CA VAL A 74 -6.986 2.204 0.833 1.00 0.26 C ATOM 1108 C VAL A 74 -6.305 3.527 1.211 1.00 0.33 C ATOM 1109 O VAL A 74 -5.181 3.521 1.725 1.00 0.34 O ATOM 1110 CB VAL A 74 -7.962 1.725 1.937 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.652 2.875 2.653 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -8.990 0.785 1.346 1.00 0.26 C ATOM 0 H VAL A 74 -5.562 0.893 1.542 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.542 2.379 -0.088 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.367 1.200 2.684 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.323 2.479 3.415 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.903 3.512 3.124 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -9.225 3.460 1.934 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.672 0.453 2.129 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.553 1.303 0.570 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.486 -0.079 0.913 1.00 0.26 H new ATOM 1122 N VAL A 75 -6.997 4.645 1.011 1.00 0.44 N ATOM 1123 CA VAL A 75 -6.370 5.953 1.113 1.00 0.59 C ATOM 1124 C VAL A 75 -6.497 6.518 2.522 1.00 0.59 C ATOM 1125 O VAL A 75 -7.599 6.736 3.039 1.00 0.80 O ATOM 1126 CB VAL A 75 -6.911 6.951 0.046 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -7.459 8.223 0.662 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -5.808 7.293 -0.927 1.00 1.70 C ATOM 0 H VAL A 75 -7.990 4.668 0.778 1.00 0.44 H new ATOM 0 HA VAL A 75 -5.309 5.815 0.904 1.00 0.59 H new ATOM 0 HB VAL A 75 -7.737 6.461 -0.469 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -7.822 8.882 -0.127 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -8.280 7.977 1.336 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -6.670 8.726 1.220 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -6.185 7.991 -1.674 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -4.978 7.751 -0.389 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -5.464 6.384 -1.421 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.359 6.633 3.184 1.00 0.48 N ATOM 1139 CA ASN A 76 -5.282 7.342 4.441 1.00 0.54 C ATOM 1140 C ASN A 76 -4.124 8.323 4.383 1.00 0.48 C ATOM 1141 O ASN A 76 -3.021 7.932 4.085 1.00 0.45 O ATOM 1142 CB ASN A 76 -5.062 6.324 5.556 1.00 0.67 C ATOM 1143 CG ASN A 76 -5.092 6.903 6.954 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -5.699 7.943 7.209 1.00 1.88 O ATOM 1145 ND2 ASN A 76 -4.454 6.201 7.879 1.00 1.31 N ATOM 0 H ASN A 76 -4.473 6.241 2.866 1.00 0.48 H new ATOM 0 HA ASN A 76 -6.202 7.894 4.632 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -5.827 5.551 5.481 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -4.100 5.836 5.400 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -4.453 6.517 8.849 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -3.964 5.344 7.621 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.372 9.573 4.664 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.309 10.548 4.845 1.00 0.56 C ATOM 1154 C TYR A 77 -3.751 11.641 5.799 1.00 0.68 C ATOM 1155 O TYR A 77 -3.083 11.826 6.832 1.00 1.36 O ATOM 1156 CB TYR A 77 -2.832 11.153 3.536 1.00 0.55 C ATOM 1157 CG TYR A 77 -3.860 11.234 2.440 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -3.945 10.228 1.495 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.731 12.309 2.341 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -4.863 10.284 0.475 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.658 12.373 1.323 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.722 11.357 0.392 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.642 11.415 -0.625 1.00 0.79 O ATOM 1164 OXT TYR A 77 -4.787 12.289 5.530 1.00 1.18 O ATOM 0 H TYR A 77 -5.312 9.953 4.776 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.462 10.012 5.272 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.461 12.158 3.736 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -1.987 10.568 3.173 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.277 9.382 1.560 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.682 13.105 3.070 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -4.911 9.492 -0.257 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.331 13.215 1.254 1.00 0.76 H new ATOM 0 HH TYR A 77 -6.243 11.860 -1.402 1.00 0.79 H new