USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 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 271 ASN : amide:sc= -4.01! C(o=-5.4!,f=-7.7!) USER MOD Set 1.2: A 272 MET CE :methyl -173:sc= -1.43 (180deg=-1.31) USER MOD Set 2.1: A 246 LYS NZ :NH3+ -169:sc= 0.00469 (180deg=-0.000303) USER MOD Set 2.2: A 291 HIS : no HE2:sc= -7.34! C(o=-7.3!,f=-9!) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 229 THR OG1 : rot 44:sc= -1.42! USER MOD Single : A 233 ASN : amide:sc= -3.01! X(o=-3!,f=-2.7) USER MOD Single : A 235 GLN : amide:sc= -1.73 K(o=-1.7,f=0) USER MOD Single : A 236 ASN : amide:sc= 0.53 K(o=0.53,f=0.011) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 250 ASN : amide:sc= -6.91! C(o=-6.9!,f=-4.5!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 14:sc= 0.879 USER MOD Single : A 266 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 THR OG1 : rot -18:sc= 0.624 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -9.44! C(o=-9.4!,f=-8.5!) USER MOD Single : A 280 CYS SG : rot -46:sc= -21.6! USER MOD Single : A 281 ASN : amide:sc= -0.8 K(o=-0.8,f=-0.049) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.675 K(o=-0.5,f=-2.9!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 297 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 18.051 -0.365 -3.298 1.00 4.69 N ATOM 2 CA GLY A 220 18.083 -0.788 -1.879 1.00 4.23 C ATOM 3 C GLY A 220 17.104 -1.910 -1.609 1.00 3.74 C ATOM 4 O GLY A 220 16.148 -2.085 -2.364 1.00 3.79 O ATOM 0 HA2 GLY A 220 19.090 -1.113 -1.618 1.00 4.23 H new ATOM 0 HA3 GLY A 220 17.847 0.063 -1.240 1.00 4.23 H new ATOM 10 N PRO A 221 17.346 -2.714 -0.559 1.00 3.49 N ATOM 11 CA PRO A 221 16.384 -3.718 -0.067 1.00 3.23 C ATOM 12 C PRO A 221 14.988 -3.128 0.088 1.00 2.59 C ATOM 13 O PRO A 221 14.864 -1.928 0.355 1.00 2.75 O ATOM 14 CB PRO A 221 16.951 -4.049 1.316 1.00 3.34 C ATOM 15 CG PRO A 221 18.418 -3.900 1.146 1.00 3.90 C ATOM 16 CD PRO A 221 18.594 -2.719 0.230 1.00 3.80 C ATOM 0 HA PRO A 221 16.278 -4.570 -0.739 1.00 3.23 H new ATOM 0 HB2 PRO A 221 16.566 -3.371 2.078 1.00 3.34 H new ATOM 0 HB3 PRO A 221 16.685 -5.060 1.625 1.00 3.34 H new ATOM 0 HG2 PRO A 221 18.910 -3.731 2.104 1.00 3.90 H new ATOM 0 HG3 PRO A 221 18.858 -4.800 0.716 1.00 3.90 H new ATOM 0 HD2 PRO A 221 18.721 -1.792 0.789 1.00 3.80 H new ATOM 0 HD3 PRO A 221 19.472 -2.830 -0.406 1.00 3.80 H new ATOM 24 N TYR A 222 13.924 -3.921 -0.059 1.00 2.37 N ATOM 25 CA TYR A 222 12.626 -3.352 0.235 1.00 2.06 C ATOM 26 C TYR A 222 12.394 -3.426 1.737 1.00 2.25 C ATOM 27 O TYR A 222 11.852 -4.382 2.289 1.00 2.77 O ATOM 28 CB TYR A 222 11.490 -4.010 -0.577 1.00 2.28 C ATOM 29 CG TYR A 222 11.360 -5.520 -0.459 1.00 2.92 C ATOM 30 CD1 TYR A 222 12.214 -6.366 -1.159 1.00 3.43 C ATOM 31 CD2 TYR A 222 10.409 -6.096 0.375 1.00 3.39 C ATOM 32 CE1 TYR A 222 12.122 -7.740 -1.032 1.00 4.30 C ATOM 33 CE2 TYR A 222 10.310 -7.469 0.503 1.00 4.22 C ATOM 34 CZ TYR A 222 11.074 -8.284 -0.284 1.00 4.65 C ATOM 35 OH TYR A 222 11.080 -9.654 -0.069 1.00 5.60 O ATOM 0 H TYR A 222 13.936 -4.895 -0.360 1.00 2.37 H new ATOM 0 HA TYR A 222 12.616 -2.307 -0.075 1.00 2.06 H new ATOM 0 HB2 TYR A 222 10.546 -3.561 -0.269 1.00 2.28 H new ATOM 0 HB3 TYR A 222 11.633 -3.761 -1.628 1.00 2.28 H new ATOM 0 HD1 TYR A 222 12.962 -5.942 -1.813 1.00 3.43 H new ATOM 0 HD2 TYR A 222 9.736 -5.461 0.932 1.00 3.39 H new ATOM 0 HE1 TYR A 222 12.850 -8.384 -1.504 1.00 4.30 H new ATOM 0 HE2 TYR A 222 9.630 -7.897 1.224 1.00 4.22 H new ATOM 0 HH TYR A 222 10.298 -9.905 0.466 1.00 5.60 H new ATOM 45 N ALA A 223 12.909 -2.398 2.365 1.00 2.49 N ATOM 46 CA ALA A 223 12.738 -2.077 3.759 1.00 2.89 C ATOM 47 C ALA A 223 12.723 -0.571 3.819 1.00 2.33 C ATOM 48 O ALA A 223 13.046 0.050 2.809 1.00 2.21 O ATOM 49 CB ALA A 223 13.869 -2.655 4.599 1.00 3.84 C ATOM 0 H ALA A 223 13.498 -1.719 1.883 1.00 2.49 H new ATOM 0 HA ALA A 223 11.821 -2.504 4.164 1.00 2.89 H new ATOM 0 HB1 ALA A 223 13.713 -2.397 5.646 1.00 3.84 H new ATOM 0 HB2 ALA A 223 13.885 -3.740 4.491 1.00 3.84 H new ATOM 0 HB3 ALA A 223 14.820 -2.243 4.261 1.00 3.84 H new ATOM 55 N GLN A 224 12.314 0.044 4.915 1.00 2.43 N ATOM 56 CA GLN A 224 12.634 1.458 5.075 1.00 2.08 C ATOM 57 C GLN A 224 14.145 1.626 5.051 1.00 1.83 C ATOM 58 O GLN A 224 14.831 1.224 5.991 1.00 2.07 O ATOM 59 CB GLN A 224 12.059 2.070 6.355 1.00 2.42 C ATOM 60 CG GLN A 224 12.173 1.188 7.585 1.00 2.85 C ATOM 61 CD GLN A 224 11.609 1.848 8.824 1.00 3.37 C ATOM 62 OE1 GLN A 224 12.320 2.542 9.550 1.00 4.07 O ATOM 63 NE2 GLN A 224 10.323 1.647 9.075 1.00 3.48 N ATOM 0 H GLN A 224 11.785 -0.384 5.675 1.00 2.43 H new ATOM 0 HA GLN A 224 12.169 1.993 4.247 1.00 2.08 H new ATOM 0 HB2 GLN A 224 12.569 3.013 6.552 1.00 2.42 H new ATOM 0 HB3 GLN A 224 11.008 2.305 6.189 1.00 2.42 H new ATOM 0 HG2 GLN A 224 11.648 0.250 7.406 1.00 2.85 H new ATOM 0 HG3 GLN A 224 13.221 0.939 7.754 1.00 2.85 H new ATOM 0 HE21 GLN A 224 9.766 1.065 8.449 1.00 3.48 H new ATOM 0 HE22 GLN A 224 9.890 2.074 9.894 1.00 3.48 H new ATOM 72 N PRO A 225 14.696 2.206 3.967 1.00 1.72 N ATOM 73 CA PRO A 225 16.135 2.386 3.816 1.00 1.92 C ATOM 74 C PRO A 225 16.651 3.523 4.703 1.00 2.14 C ATOM 75 O PRO A 225 17.620 4.205 4.365 1.00 2.66 O ATOM 76 CB PRO A 225 16.317 2.715 2.323 1.00 2.14 C ATOM 77 CG PRO A 225 14.964 2.631 1.699 1.00 2.04 C ATOM 78 CD PRO A 225 13.968 2.737 2.807 1.00 1.87 C ATOM 0 HA PRO A 225 16.698 1.504 4.120 1.00 1.92 H new ATOM 0 HB2 PRO A 225 16.741 3.711 2.195 1.00 2.14 H new ATOM 0 HB3 PRO A 225 17.005 2.012 1.853 1.00 2.14 H new ATOM 0 HG2 PRO A 225 14.822 3.433 0.974 1.00 2.04 H new ATOM 0 HG3 PRO A 225 14.845 1.691 1.161 1.00 2.04 H new ATOM 0 HD2 PRO A 225 13.653 3.768 2.967 1.00 1.87 H new ATOM 0 HD3 PRO A 225 13.069 2.158 2.597 1.00 1.87 H new ATOM 86 N SER A 226 15.948 3.728 5.823 1.00 1.95 N ATOM 87 CA SER A 226 16.336 4.663 6.882 1.00 2.16 C ATOM 88 C SER A 226 15.980 6.102 6.518 1.00 2.03 C ATOM 89 O SER A 226 16.466 7.050 7.134 1.00 2.18 O ATOM 90 CB SER A 226 17.827 4.550 7.201 1.00 2.66 C ATOM 91 OG SER A 226 18.200 3.205 7.475 1.00 3.31 O ATOM 0 H SER A 226 15.076 3.238 6.021 1.00 1.95 H new ATOM 0 HA SER A 226 15.771 4.390 7.773 1.00 2.16 H new ATOM 0 HB2 SER A 226 18.410 4.926 6.360 1.00 2.66 H new ATOM 0 HB3 SER A 226 18.065 5.177 8.060 1.00 2.66 H new ATOM 0 HG SER A 226 19.159 3.165 7.673 1.00 3.31 H new ATOM 97 N ILE A 227 15.122 6.261 5.522 1.00 1.95 N ATOM 98 CA ILE A 227 14.669 7.589 5.119 1.00 2.10 C ATOM 99 C ILE A 227 13.304 7.913 5.749 1.00 2.00 C ATOM 100 O ILE A 227 12.592 8.809 5.295 1.00 2.30 O ATOM 101 CB ILE A 227 14.574 7.681 3.580 1.00 2.25 C ATOM 102 CG1 ILE A 227 15.782 7.005 2.938 1.00 2.55 C ATOM 103 CG2 ILE A 227 14.496 9.135 3.123 1.00 2.41 C ATOM 104 CD1 ILE A 227 15.415 6.136 1.761 1.00 2.87 C ATOM 0 H ILE A 227 14.726 5.494 4.979 1.00 1.95 H new ATOM 0 HA ILE A 227 15.398 8.318 5.473 1.00 2.10 H new ATOM 0 HB ILE A 227 13.664 7.170 3.267 1.00 2.25 H new ATOM 0 HG12 ILE A 227 16.488 7.769 2.612 1.00 2.55 H new ATOM 0 HG13 ILE A 227 16.292 6.398 3.686 1.00 2.55 H new ATOM 0 HG21 ILE A 227 14.430 9.172 2.036 1.00 2.41 H new ATOM 0 HG22 ILE A 227 13.613 9.606 3.556 1.00 2.41 H new ATOM 0 HG23 ILE A 227 15.389 9.668 3.450 1.00 2.41 H new ATOM 0 HD11 ILE A 227 16.316 5.683 1.348 1.00 2.87 H new ATOM 0 HD12 ILE A 227 14.732 5.352 2.087 1.00 2.87 H new ATOM 0 HD13 ILE A 227 14.931 6.744 0.997 1.00 2.87 H new ATOM 116 N ASN A 228 12.967 7.189 6.822 1.00 1.79 N ATOM 117 CA ASN A 228 11.648 7.294 7.484 1.00 1.83 C ATOM 118 C ASN A 228 10.562 6.823 6.536 1.00 1.88 C ATOM 119 O ASN A 228 9.410 7.256 6.617 1.00 2.30 O ATOM 120 CB ASN A 228 11.317 8.729 7.936 1.00 2.31 C ATOM 121 CG ASN A 228 12.428 9.393 8.730 1.00 2.87 C ATOM 122 OD1 ASN A 228 12.618 10.607 8.653 1.00 3.55 O ATOM 123 ND2 ASN A 228 13.155 8.613 9.513 1.00 3.10 N ATOM 0 H ASN A 228 13.594 6.514 7.260 1.00 1.79 H new ATOM 0 HA ASN A 228 11.693 6.666 8.374 1.00 1.83 H new ATOM 0 HB2 ASN A 228 11.099 9.336 7.057 1.00 2.31 H new ATOM 0 HB3 ASN A 228 10.412 8.709 8.542 1.00 2.31 H new ATOM 0 HD21 ASN A 228 13.903 9.014 10.079 1.00 3.10 H new ATOM 0 HD22 ASN A 228 12.968 7.611 9.550 1.00 3.10 H new ATOM 130 N THR A 229 10.937 5.917 5.656 1.00 2.19 N ATOM 131 CA THR A 229 10.077 5.504 4.570 1.00 2.52 C ATOM 132 C THR A 229 9.688 4.038 4.657 1.00 2.03 C ATOM 133 O THR A 229 10.448 3.171 4.230 1.00 2.87 O ATOM 134 CB THR A 229 10.777 5.739 3.231 1.00 3.92 C ATOM 135 OG1 THR A 229 12.066 5.112 3.246 1.00 4.47 O ATOM 136 CG2 THR A 229 10.935 7.219 2.963 1.00 4.68 C ATOM 0 H THR A 229 11.843 5.449 5.675 1.00 2.19 H new ATOM 0 HA THR A 229 9.169 6.103 4.646 1.00 2.52 H new ATOM 0 HB THR A 229 10.167 5.306 2.439 1.00 3.92 H new ATOM 0 HG1 THR A 229 11.991 4.218 3.641 1.00 4.47 H new ATOM 0 HG21 THR A 229 11.435 7.364 2.006 1.00 4.68 H new ATOM 0 HG22 THR A 229 9.953 7.690 2.934 1.00 4.68 H new ATOM 0 HG23 THR A 229 11.531 7.671 3.756 1.00 4.68 H new ATOM 144 N PRO A 230 8.505 3.741 5.206 1.00 1.09 N ATOM 145 CA PRO A 230 7.935 2.406 5.181 1.00 1.06 C ATOM 146 C PRO A 230 7.835 1.878 3.765 1.00 1.08 C ATOM 147 O PRO A 230 8.050 2.612 2.814 1.00 1.84 O ATOM 148 CB PRO A 230 6.551 2.568 5.811 1.00 1.66 C ATOM 149 CG PRO A 230 6.677 3.790 6.642 1.00 1.77 C ATOM 150 CD PRO A 230 7.615 4.683 5.886 1.00 1.32 C ATOM 0 HA PRO A 230 8.551 1.685 5.719 1.00 1.06 H new ATOM 0 HB2 PRO A 230 5.777 2.680 5.052 1.00 1.66 H new ATOM 0 HB3 PRO A 230 6.283 1.701 6.414 1.00 1.66 H new ATOM 0 HG2 PRO A 230 5.709 4.269 6.788 1.00 1.77 H new ATOM 0 HG3 PRO A 230 7.069 3.555 7.632 1.00 1.77 H new ATOM 0 HD2 PRO A 230 7.083 5.317 5.177 1.00 1.32 H new ATOM 0 HD3 PRO A 230 8.166 5.345 6.554 1.00 1.32 H new ATOM 158 N LEU A 231 7.495 0.611 3.659 1.00 1.29 N ATOM 159 CA LEU A 231 7.550 -0.147 2.400 1.00 1.31 C ATOM 160 C LEU A 231 6.953 0.628 1.221 1.00 0.89 C ATOM 161 O LEU A 231 5.737 0.662 1.043 1.00 1.38 O ATOM 162 CB LEU A 231 6.801 -1.467 2.580 1.00 2.04 C ATOM 163 CG LEU A 231 7.568 -2.565 3.338 1.00 2.75 C ATOM 164 CD1 LEU A 231 8.863 -2.911 2.617 1.00 3.41 C ATOM 165 CD2 LEU A 231 7.862 -2.155 4.775 1.00 3.64 C ATOM 0 H LEU A 231 7.166 0.058 4.451 1.00 1.29 H new ATOM 0 HA LEU A 231 8.599 -0.327 2.166 1.00 1.31 H new ATOM 0 HB2 LEU A 231 5.870 -1.267 3.110 1.00 2.04 H new ATOM 0 HB3 LEU A 231 6.532 -1.849 1.595 1.00 2.04 H new ATOM 0 HG LEU A 231 6.930 -3.448 3.365 1.00 2.75 H new ATOM 0 HD11 LEU A 231 9.390 -3.689 3.169 1.00 3.41 H new ATOM 0 HD12 LEU A 231 8.636 -3.269 1.613 1.00 3.41 H new ATOM 0 HD13 LEU A 231 9.492 -2.023 2.552 1.00 3.41 H new ATOM 0 HD21 LEU A 231 8.404 -2.956 5.278 1.00 3.64 H new ATOM 0 HD22 LEU A 231 8.467 -1.249 4.778 1.00 3.64 H new ATOM 0 HD23 LEU A 231 6.925 -1.967 5.299 1.00 3.64 H new ATOM 177 N PRO A 232 7.830 1.276 0.416 1.00 1.28 N ATOM 178 CA PRO A 232 7.435 2.168 -0.677 1.00 1.64 C ATOM 179 C PRO A 232 7.130 1.435 -1.977 1.00 1.09 C ATOM 180 O PRO A 232 5.993 1.412 -2.442 1.00 1.25 O ATOM 181 CB PRO A 232 8.660 3.078 -0.866 1.00 2.66 C ATOM 182 CG PRO A 232 9.739 2.545 0.031 1.00 2.98 C ATOM 183 CD PRO A 232 9.293 1.191 0.508 1.00 2.18 C ATOM 0 HA PRO A 232 6.514 2.698 -0.432 1.00 1.64 H new ATOM 0 HB2 PRO A 232 8.986 3.076 -1.906 1.00 2.66 H new ATOM 0 HB3 PRO A 232 8.419 4.109 -0.609 1.00 2.66 H new ATOM 0 HG2 PRO A 232 10.684 2.471 -0.507 1.00 2.98 H new ATOM 0 HG3 PRO A 232 9.904 3.215 0.875 1.00 2.98 H new ATOM 0 HD2 PRO A 232 9.691 0.391 -0.117 1.00 2.18 H new ATOM 0 HD3 PRO A 232 9.623 0.993 1.528 1.00 2.18 H new ATOM 191 N ASN A 233 8.177 0.864 -2.563 1.00 0.77 N ATOM 192 CA ASN A 233 8.082 0.101 -3.801 1.00 0.98 C ATOM 193 C ASN A 233 7.773 1.004 -4.988 1.00 0.61 C ATOM 194 O ASN A 233 7.874 2.225 -4.877 1.00 1.31 O ATOM 195 CB ASN A 233 7.053 -1.010 -3.662 1.00 2.09 C ATOM 196 CG ASN A 233 7.437 -2.008 -2.585 1.00 2.85 C ATOM 197 OD1 ASN A 233 8.618 -2.222 -2.320 1.00 3.08 O ATOM 198 ND2 ASN A 233 6.448 -2.627 -1.958 1.00 3.66 N ATOM 0 H ASN A 233 9.124 0.919 -2.188 1.00 0.77 H new ATOM 0 HA ASN A 233 9.052 -0.358 -3.993 1.00 0.98 H new ATOM 0 HB2 ASN A 233 6.081 -0.577 -3.425 1.00 2.09 H new ATOM 0 HB3 ASN A 233 6.947 -1.528 -4.615 1.00 2.09 H new ATOM 0 HD21 ASN A 233 6.654 -3.308 -1.227 1.00 3.66 H new ATOM 0 HD22 ASN A 233 5.480 -2.423 -2.206 1.00 3.66 H new ATOM 205 N LEU A 234 7.435 0.384 -6.130 1.00 0.89 N ATOM 206 CA LEU A 234 7.352 1.068 -7.434 1.00 0.65 C ATOM 207 C LEU A 234 8.742 1.428 -7.890 1.00 0.63 C ATOM 208 O LEU A 234 9.203 1.021 -8.953 1.00 0.85 O ATOM 209 CB LEU A 234 6.446 2.307 -7.366 1.00 0.57 C ATOM 210 CG LEU A 234 6.061 2.967 -8.708 1.00 0.55 C ATOM 211 CD1 LEU A 234 7.234 3.709 -9.333 1.00 0.90 C ATOM 212 CD2 LEU A 234 5.524 1.935 -9.684 1.00 0.86 C ATOM 0 H LEU A 234 7.210 -0.610 -6.177 1.00 0.89 H new ATOM 0 HA LEU A 234 6.900 0.393 -8.161 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.528 2.027 -6.850 1.00 0.57 H new ATOM 0 HB3 LEU A 234 6.942 3.057 -6.750 1.00 0.57 H new ATOM 0 HG LEU A 234 5.279 3.694 -8.492 1.00 0.55 H new ATOM 0 HD11 LEU A 234 6.920 4.158 -10.275 1.00 0.90 H new ATOM 0 HD12 LEU A 234 7.574 4.491 -8.654 1.00 0.90 H new ATOM 0 HD13 LEU A 234 8.050 3.010 -9.518 1.00 0.90 H new ATOM 0 HD21 LEU A 234 5.260 2.424 -10.622 1.00 0.86 H new ATOM 0 HD22 LEU A 234 6.287 1.180 -9.871 1.00 0.86 H new ATOM 0 HD23 LEU A 234 4.639 1.460 -9.261 1.00 0.86 H new ATOM 224 N GLN A 235 9.393 2.171 -7.045 1.00 0.59 N ATOM 225 CA GLN A 235 10.774 2.456 -7.140 1.00 0.72 C ATOM 226 C GLN A 235 11.576 1.173 -6.978 1.00 0.76 C ATOM 227 O GLN A 235 12.736 1.080 -7.372 1.00 0.99 O ATOM 228 CB GLN A 235 11.023 3.383 -5.995 1.00 0.79 C ATOM 229 CG GLN A 235 10.896 4.855 -6.332 1.00 1.06 C ATOM 230 CD GLN A 235 12.151 5.463 -6.935 1.00 1.32 C ATOM 231 OE1 GLN A 235 12.424 6.649 -6.740 1.00 1.98 O ATOM 232 NE2 GLN A 235 12.920 4.672 -7.668 1.00 1.70 N ATOM 0 H GLN A 235 8.946 2.609 -6.239 1.00 0.59 H new ATOM 0 HA GLN A 235 11.063 2.888 -8.098 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.322 3.146 -5.194 1.00 0.79 H new ATOM 0 HB3 GLN A 235 12.025 3.198 -5.607 1.00 0.79 H new ATOM 0 HG2 GLN A 235 10.069 4.987 -7.030 1.00 1.06 H new ATOM 0 HG3 GLN A 235 10.639 5.403 -5.426 1.00 1.06 H new ATOM 0 HE21 GLN A 235 12.661 3.695 -7.807 1.00 1.70 H new ATOM 0 HE22 GLN A 235 13.771 5.040 -8.093 1.00 1.70 H new ATOM 241 N ASN A 236 10.928 0.199 -6.360 1.00 0.64 N ATOM 242 CA ASN A 236 11.517 -1.110 -6.149 1.00 0.65 C ATOM 243 C ASN A 236 10.637 -2.185 -6.788 1.00 0.57 C ATOM 244 O ASN A 236 11.130 -3.196 -7.278 1.00 0.61 O ATOM 245 CB ASN A 236 11.684 -1.366 -4.644 1.00 0.75 C ATOM 246 CG ASN A 236 12.875 -2.249 -4.321 1.00 0.95 C ATOM 247 OD1 ASN A 236 13.248 -3.129 -5.095 1.00 1.48 O ATOM 248 ND2 ASN A 236 13.495 -2.005 -3.175 1.00 1.06 N ATOM 0 H ASN A 236 9.982 0.295 -5.992 1.00 0.64 H new ATOM 0 HA ASN A 236 12.500 -1.147 -6.618 1.00 0.65 H new ATOM 0 HB2 ASN A 236 11.796 -0.412 -4.129 1.00 0.75 H new ATOM 0 HB3 ASN A 236 10.778 -1.832 -4.258 1.00 0.75 H new ATOM 0 HD21 ASN A 236 14.311 -2.556 -2.909 1.00 1.06 H new ATOM 0 HD22 ASN A 236 13.156 -1.266 -2.559 1.00 1.06 H new ATOM 255 N GLY A 237 9.325 -1.950 -6.778 1.00 0.55 N ATOM 256 CA GLY A 237 8.390 -2.881 -7.372 1.00 0.52 C ATOM 257 C GLY A 237 7.691 -2.321 -8.611 1.00 0.52 C ATOM 258 O GLY A 237 8.331 -2.110 -9.636 1.00 0.65 O ATOM 0 H GLY A 237 8.895 -1.123 -6.364 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.919 -3.795 -7.643 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.639 -3.155 -6.631 1.00 0.52 H new ATOM 262 N PRO A 238 6.368 -2.057 -8.537 1.00 0.40 N ATOM 263 CA PRO A 238 5.586 -2.199 -7.320 1.00 0.28 C ATOM 264 C PRO A 238 5.236 -3.586 -6.984 1.00 0.28 C ATOM 265 O PRO A 238 5.022 -4.450 -7.829 1.00 0.41 O ATOM 266 CB PRO A 238 4.357 -1.345 -7.569 1.00 0.25 C ATOM 267 CG PRO A 238 4.152 -1.418 -9.036 1.00 0.59 C ATOM 268 CD PRO A 238 5.523 -1.605 -9.659 1.00 0.43 C ATOM 0 HA PRO A 238 6.160 -1.880 -6.450 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.491 -1.726 -7.027 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.513 -0.318 -7.240 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.493 -2.247 -9.294 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.679 -0.508 -9.406 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.499 -2.341 -10.462 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.896 -0.676 -10.090 1.00 0.43 H new ATOM 276 N PHE A 239 5.204 -3.756 -5.702 1.00 0.24 N ATOM 277 CA PHE A 239 5.096 -5.037 -5.126 1.00 0.26 C ATOM 278 C PHE A 239 3.707 -5.222 -4.590 1.00 0.22 C ATOM 279 O PHE A 239 3.002 -4.245 -4.339 1.00 0.26 O ATOM 280 CB PHE A 239 6.149 -5.215 -4.030 1.00 0.38 C ATOM 281 CG PHE A 239 7.583 -5.251 -4.514 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.887 -5.638 -5.804 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.625 -4.952 -3.654 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.193 -5.732 -6.233 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.938 -5.030 -4.077 1.00 0.79 C ATOM 286 CZ PHE A 239 10.223 -5.426 -5.367 1.00 0.78 C ATOM 0 H PHE A 239 5.253 -2.994 -5.026 1.00 0.24 H new ATOM 0 HA PHE A 239 5.279 -5.800 -5.883 1.00 0.26 H new ATOM 0 HB2 PHE A 239 6.045 -4.401 -3.313 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.940 -6.141 -3.494 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.086 -5.871 -6.490 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.409 -4.654 -2.639 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.410 -6.044 -7.244 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.740 -4.781 -3.398 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.249 -5.496 -5.698 1.00 0.78 H new ATOM 296 N TYR A 240 3.305 -6.458 -4.401 1.00 0.22 N ATOM 297 CA TYR A 240 1.987 -6.719 -3.949 1.00 0.21 C ATOM 298 C TYR A 240 2.062 -6.786 -2.459 1.00 0.19 C ATOM 299 O TYR A 240 3.157 -6.828 -1.907 1.00 0.23 O ATOM 300 CB TYR A 240 1.469 -8.028 -4.537 1.00 0.24 C ATOM 301 CG TYR A 240 0.686 -7.869 -5.814 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.258 -6.866 -5.943 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.865 -8.743 -6.877 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.002 -6.731 -7.091 1.00 0.57 C ATOM 305 CE2 TYR A 240 0.127 -8.610 -8.038 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.807 -7.603 -8.139 1.00 0.69 C ATOM 307 OH TYR A 240 -1.550 -7.469 -9.289 1.00 0.88 O ATOM 0 H TYR A 240 3.881 -7.286 -4.557 1.00 0.22 H new ATOM 0 HA TYR A 240 1.293 -5.941 -4.267 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.316 -8.689 -4.724 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.838 -8.520 -3.797 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.413 -6.176 -5.127 1.00 0.43 H new ATOM 0 HD2 TYR A 240 1.591 -9.538 -6.796 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.737 -5.944 -7.171 1.00 0.57 H new ATOM 0 HE2 TYR A 240 0.282 -9.292 -8.861 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.289 -8.163 -9.930 1.00 0.88 H new ATOM 317 N ALA A 241 0.949 -6.729 -1.799 1.00 0.14 N ATOM 318 CA ALA A 241 0.950 -6.921 -0.389 1.00 0.15 C ATOM 319 C ALA A 241 -0.380 -7.340 0.123 1.00 0.11 C ATOM 320 O ALA A 241 -1.402 -6.745 -0.160 1.00 0.12 O ATOM 321 CB ALA A 241 1.427 -5.692 0.342 1.00 0.24 C ATOM 0 H ALA A 241 0.034 -6.552 -2.213 1.00 0.14 H new ATOM 0 HA ALA A 241 1.653 -7.731 -0.194 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.413 -5.879 1.416 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.443 -5.454 0.028 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.770 -4.853 0.111 1.00 0.24 H new ATOM 327 N ARG A 242 -0.332 -8.355 0.915 1.00 0.10 N ATOM 328 CA ARG A 242 -1.514 -8.942 1.464 1.00 0.08 C ATOM 329 C ARG A 242 -2.006 -8.082 2.606 1.00 0.08 C ATOM 330 O ARG A 242 -1.468 -8.122 3.705 1.00 0.11 O ATOM 331 CB ARG A 242 -1.192 -10.343 1.959 1.00 0.10 C ATOM 332 CG ARG A 242 -2.321 -11.032 2.731 1.00 0.10 C ATOM 333 CD ARG A 242 -3.389 -11.592 1.814 1.00 0.11 C ATOM 334 NE ARG A 242 -2.833 -12.467 0.785 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.423 -12.718 -0.379 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.579 -12.135 -0.679 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.854 -13.547 -1.243 1.00 0.43 N ATOM 0 H ARG A 242 0.535 -8.808 1.205 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.292 -9.005 0.704 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.927 -10.963 1.102 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.312 -10.292 2.600 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -1.905 -11.838 3.335 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.774 -10.319 3.420 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.118 -12.147 2.405 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.924 -10.770 1.339 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.935 -12.914 0.972 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.014 -11.494 -0.016 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.031 -12.328 -1.573 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.965 -13.991 -1.014 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.305 -13.741 -2.137 1.00 0.43 H new ATOM 351 N VAL A 243 -3.024 -7.304 2.338 1.00 0.07 N ATOM 352 CA VAL A 243 -3.558 -6.405 3.311 1.00 0.08 C ATOM 353 C VAL A 243 -4.106 -7.202 4.473 1.00 0.11 C ATOM 354 O VAL A 243 -4.649 -8.275 4.278 1.00 0.14 O ATOM 355 CB VAL A 243 -4.663 -5.534 2.693 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.749 -6.379 2.075 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.258 -4.645 3.741 1.00 0.18 C ATOM 0 H VAL A 243 -3.501 -7.281 1.437 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.766 -5.745 3.663 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.211 -4.929 1.907 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.515 -5.732 1.647 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.322 -7.004 1.290 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.196 -7.013 2.840 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.040 -4.031 3.296 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.685 -5.256 4.537 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.482 -4.001 4.155 1.00 0.18 H new ATOM 367 N ILE A 244 -3.927 -6.706 5.674 1.00 0.12 N ATOM 368 CA ILE A 244 -4.437 -7.414 6.839 1.00 0.16 C ATOM 369 C ILE A 244 -5.185 -6.500 7.764 1.00 0.13 C ATOM 370 O ILE A 244 -5.529 -6.899 8.870 1.00 0.17 O ATOM 371 CB ILE A 244 -3.355 -8.071 7.688 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.269 -7.055 7.993 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.829 -9.293 7.001 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.646 -7.200 9.356 1.00 0.61 C ATOM 0 H ILE A 244 -3.442 -5.832 5.876 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.084 -8.179 6.409 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.771 -8.403 8.639 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.487 -7.140 7.239 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.690 -6.054 7.904 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.057 -9.753 7.618 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.642 -10.003 6.848 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.405 -9.014 6.037 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.881 -6.435 9.490 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.414 -7.084 10.121 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.192 -8.187 9.445 1.00 0.61 H new ATOM 386 N GLN A 245 -5.388 -5.280 7.326 1.00 0.11 N ATOM 387 CA GLN A 245 -6.188 -4.313 8.067 1.00 0.12 C ATOM 388 C GLN A 245 -6.396 -3.095 7.215 1.00 0.11 C ATOM 389 O GLN A 245 -5.545 -2.224 7.103 1.00 0.12 O ATOM 390 CB GLN A 245 -5.546 -3.931 9.412 1.00 0.15 C ATOM 391 CG GLN A 245 -6.035 -4.767 10.579 1.00 0.21 C ATOM 392 CD GLN A 245 -5.807 -4.101 11.920 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.862 -3.331 12.095 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.666 -4.393 12.882 1.00 1.20 N ATOM 0 H GLN A 245 -5.008 -4.923 6.449 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.148 -4.773 8.301 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.464 -4.034 9.331 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.751 -2.880 9.617 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.099 -4.967 10.455 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.526 -5.731 10.567 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.437 -5.036 12.700 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.558 -3.976 13.806 1.00 1.20 H new ATOM 403 N LYS A 246 -7.515 -3.083 6.559 1.00 0.12 N ATOM 404 CA LYS A 246 -7.890 -1.978 5.731 1.00 0.12 C ATOM 405 C LYS A 246 -9.362 -1.712 5.961 1.00 0.15 C ATOM 406 O LYS A 246 -10.067 -2.551 6.524 1.00 0.19 O ATOM 407 CB LYS A 246 -7.562 -2.337 4.296 1.00 0.12 C ATOM 408 CG LYS A 246 -7.272 -1.177 3.327 1.00 0.13 C ATOM 409 CD LYS A 246 -5.977 -1.429 2.590 1.00 0.14 C ATOM 410 CE LYS A 246 -4.807 -0.932 3.348 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.534 -1.196 2.619 1.00 0.21 N ATOM 0 H LYS A 246 -8.196 -3.842 6.583 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.348 -1.063 5.969 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.694 -2.996 4.303 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.395 -2.913 3.893 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -8.091 -1.074 2.615 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.209 -0.239 3.878 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.865 -2.498 2.408 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -6.013 -0.942 1.616 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.913 0.139 3.522 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.774 -1.412 4.326 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.728 -1.009 3.249 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.510 -2.189 2.311 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.475 -0.574 1.787 1.00 0.21 H new ATOM 425 N ARG A 247 -9.818 -0.574 5.541 1.00 0.16 N ATOM 426 CA ARG A 247 -11.200 -0.214 5.678 1.00 0.16 C ATOM 427 C ARG A 247 -11.856 -0.441 4.334 1.00 0.14 C ATOM 428 O ARG A 247 -11.155 -0.724 3.363 1.00 0.14 O ATOM 429 CB ARG A 247 -11.321 1.251 6.097 1.00 0.17 C ATOM 430 CG ARG A 247 -11.029 2.222 4.971 1.00 0.18 C ATOM 431 CD ARG A 247 -11.188 3.672 5.379 1.00 0.23 C ATOM 432 NE ARG A 247 -12.576 4.091 5.218 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.960 5.283 4.761 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.066 6.216 4.460 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.249 5.545 4.608 1.00 0.63 N ATOM 0 H ARG A 247 -9.242 0.137 5.091 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.687 -0.816 6.445 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.328 1.433 6.472 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.634 1.444 6.921 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.011 2.061 4.615 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.696 2.011 4.135 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.879 3.801 6.416 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.538 4.302 4.772 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.305 3.424 5.473 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -11.071 6.026 4.577 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.374 7.124 4.111 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.945 4.836 4.840 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.546 6.456 4.259 1.00 0.63 H new ATOM 449 N VAL A 248 -13.170 -0.405 4.263 1.00 0.15 N ATOM 450 CA VAL A 248 -13.809 -0.297 2.982 1.00 0.15 C ATOM 451 C VAL A 248 -14.161 1.164 2.713 1.00 0.14 C ATOM 452 O VAL A 248 -15.200 1.671 3.143 1.00 0.16 O ATOM 453 CB VAL A 248 -15.050 -1.199 2.865 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.913 -0.767 1.697 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.621 -2.644 2.689 1.00 0.21 C ATOM 0 H VAL A 248 -13.800 -0.448 5.064 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.108 -0.647 2.224 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.636 -1.108 3.779 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.786 -1.416 1.630 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.237 0.263 1.846 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.337 -0.836 0.774 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.504 -3.278 2.607 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -14.021 -2.738 1.784 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -14.030 -2.955 3.550 1.00 0.21 H new ATOM 465 N PRO A 249 -13.234 1.882 2.071 1.00 0.13 N ATOM 466 CA PRO A 249 -13.443 3.200 1.579 1.00 0.15 C ATOM 467 C PRO A 249 -13.770 3.157 0.100 1.00 0.16 C ATOM 468 O PRO A 249 -14.447 2.248 -0.382 1.00 0.17 O ATOM 469 CB PRO A 249 -12.074 3.863 1.797 1.00 0.16 C ATOM 470 CG PRO A 249 -11.094 2.739 1.923 1.00 0.14 C ATOM 471 CD PRO A 249 -11.876 1.476 1.788 1.00 0.13 C ATOM 0 HA PRO A 249 -14.265 3.724 2.067 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.817 4.514 0.962 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.077 4.482 2.694 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.327 2.805 1.151 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.582 2.777 2.885 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.785 1.053 0.787 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.531 0.715 2.488 1.00 0.13 H new ATOM 479 N ASN A 250 -13.281 4.148 -0.601 1.00 0.17 N ATOM 480 CA ASN A 250 -13.251 4.143 -2.045 1.00 0.20 C ATOM 481 C ASN A 250 -12.291 5.216 -2.500 1.00 0.21 C ATOM 482 O ASN A 250 -11.749 5.954 -1.678 1.00 0.19 O ATOM 483 CB ASN A 250 -14.629 4.346 -2.697 1.00 0.24 C ATOM 484 CG ASN A 250 -15.380 5.601 -2.261 1.00 0.69 C ATOM 485 OD1 ASN A 250 -16.077 6.208 -3.064 1.00 1.18 O ATOM 486 ND2 ASN A 250 -15.289 5.975 -0.996 1.00 1.28 N ATOM 0 H ASN A 250 -12.888 4.991 -0.183 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.923 3.154 -2.366 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.499 4.378 -3.779 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.249 3.477 -2.476 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -15.808 6.789 -0.666 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -14.700 5.449 -0.350 1.00 1.28 H new ATOM 493 N ALA A 251 -12.077 5.315 -3.792 1.00 0.26 N ATOM 494 CA ALA A 251 -11.113 6.266 -4.311 1.00 0.31 C ATOM 495 C ALA A 251 -11.641 7.689 -4.232 1.00 0.37 C ATOM 496 O ALA A 251 -10.910 8.655 -4.420 1.00 0.42 O ATOM 497 CB ALA A 251 -10.723 5.906 -5.730 1.00 0.39 C ATOM 0 H ALA A 251 -12.552 4.755 -4.500 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.220 6.215 -3.688 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -9.999 6.630 -6.103 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.280 4.910 -5.744 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -11.609 5.918 -6.365 1.00 0.39 H new ATOM 503 N TYR A 252 -12.915 7.806 -3.950 1.00 0.39 N ATOM 504 CA TYR A 252 -13.547 9.097 -3.788 1.00 0.47 C ATOM 505 C TYR A 252 -13.327 9.605 -2.382 1.00 0.46 C ATOM 506 O TYR A 252 -13.433 10.800 -2.098 1.00 0.56 O ATOM 507 CB TYR A 252 -15.025 8.950 -4.071 1.00 0.57 C ATOM 508 CG TYR A 252 -15.301 8.370 -5.438 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.401 8.535 -6.486 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.454 7.647 -5.672 1.00 1.27 C ATOM 511 CE1 TYR A 252 -14.650 7.993 -7.729 1.00 1.80 C ATOM 512 CE2 TYR A 252 -16.714 7.100 -6.914 1.00 1.76 C ATOM 513 CZ TYR A 252 -15.807 7.276 -7.940 1.00 1.98 C ATOM 514 OH TYR A 252 -16.052 6.727 -9.177 1.00 2.53 O ATOM 0 H TYR A 252 -13.544 7.013 -3.826 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.112 9.816 -4.483 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.474 8.310 -3.312 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.505 9.925 -3.991 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.493 9.097 -6.323 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.164 7.507 -4.871 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -13.942 8.130 -8.533 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -17.621 6.538 -7.081 1.00 1.76 H new ATOM 0 HH TYR A 252 -16.909 6.252 -9.160 1.00 2.53 H new ATOM 524 N ASP A 253 -13.002 8.670 -1.517 1.00 0.40 N ATOM 525 CA ASP A 253 -12.745 8.935 -0.135 1.00 0.43 C ATOM 526 C ASP A 253 -11.286 9.155 0.063 1.00 0.38 C ATOM 527 O ASP A 253 -10.580 8.225 0.465 1.00 0.34 O ATOM 528 CB ASP A 253 -13.087 7.705 0.652 1.00 0.44 C ATOM 529 CG ASP A 253 -13.906 7.974 1.899 1.00 0.56 C ATOM 530 OD1 ASP A 253 -15.145 8.071 1.787 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.319 8.066 2.997 1.00 0.88 O ATOM 0 H ASP A 253 -12.909 7.686 -1.769 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.325 9.804 0.177 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.638 7.018 0.010 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.163 7.202 0.939 1.00 0.44 H new ATOM 536 N LYS A 254 -10.821 10.349 -0.239 1.00 0.43 N ATOM 537 CA LYS A 254 -9.449 10.709 0.047 1.00 0.41 C ATOM 538 C LYS A 254 -8.487 9.826 -0.728 1.00 0.31 C ATOM 539 O LYS A 254 -7.282 9.890 -0.530 1.00 0.28 O ATOM 540 CB LYS A 254 -9.241 10.531 1.543 1.00 0.45 C ATOM 541 CG LYS A 254 -10.281 11.274 2.341 1.00 0.60 C ATOM 542 CD LYS A 254 -10.208 10.964 3.823 1.00 0.74 C ATOM 543 CE LYS A 254 -10.952 9.679 4.159 1.00 0.79 C ATOM 544 NZ LYS A 254 -10.903 9.377 5.614 1.00 1.32 N ATOM 0 H LYS A 254 -11.372 11.085 -0.681 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.256 11.739 -0.253 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.280 9.471 1.792 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.248 10.887 1.818 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.152 12.346 2.191 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.272 11.017 1.968 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.165 10.872 4.126 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.633 11.792 4.391 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.991 9.767 3.841 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.516 8.850 3.601 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.420 8.495 5.803 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -9.913 9.268 5.913 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.341 10.156 6.145 1.00 1.32 H new ATOM 558 N THR A 255 -9.063 9.016 -1.608 1.00 0.28 N ATOM 559 CA THR A 255 -8.405 7.910 -2.249 1.00 0.22 C ATOM 560 C THR A 255 -7.883 6.979 -1.189 1.00 0.15 C ATOM 561 O THR A 255 -6.783 7.142 -0.661 1.00 0.14 O ATOM 562 CB THR A 255 -7.305 8.282 -3.285 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.370 9.237 -2.767 1.00 0.41 O ATOM 564 CG2 THR A 255 -7.932 8.830 -4.554 1.00 0.55 C ATOM 0 H THR A 255 -10.035 9.124 -1.897 1.00 0.28 H new ATOM 0 HA THR A 255 -9.159 7.417 -2.862 1.00 0.22 H new ATOM 0 HB THR A 255 -6.761 7.364 -3.507 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.473 9.301 -1.795 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.148 9.085 -5.267 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.588 8.077 -4.990 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.511 9.723 -4.318 1.00 0.55 H new ATOM 572 N ALA A 256 -8.769 6.098 -0.774 1.00 0.13 N ATOM 573 CA ALA A 256 -8.422 5.031 0.127 1.00 0.11 C ATOM 574 C ALA A 256 -8.743 3.651 -0.488 1.00 0.10 C ATOM 575 O ALA A 256 -9.530 3.553 -1.431 1.00 0.12 O ATOM 576 CB ALA A 256 -9.111 5.239 1.458 1.00 0.13 C ATOM 0 H ALA A 256 -9.750 6.106 -1.055 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.346 5.048 0.299 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.845 4.428 2.136 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.794 6.190 1.887 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.191 5.249 1.311 1.00 0.13 H new ATOM 582 N LEU A 257 -8.162 2.594 0.078 1.00 0.10 N ATOM 583 CA LEU A 257 -8.247 1.231 -0.489 1.00 0.09 C ATOM 584 C LEU A 257 -9.398 0.439 0.059 1.00 0.09 C ATOM 585 O LEU A 257 -9.449 0.183 1.258 1.00 0.11 O ATOM 586 CB LEU A 257 -6.983 0.437 -0.160 1.00 0.11 C ATOM 587 CG LEU A 257 -5.734 0.809 -0.911 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.037 1.225 -2.331 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.988 1.893 -0.182 1.00 0.21 C ATOM 0 H LEU A 257 -7.619 2.648 0.940 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.378 1.371 -1.562 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.783 0.543 0.906 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.187 -0.618 -0.342 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.101 -0.077 -0.963 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.109 1.486 -2.840 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.520 0.401 -2.856 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.702 2.089 -2.323 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.087 2.151 -0.738 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.623 2.774 -0.091 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.713 1.540 0.812 1.00 0.21 H new ATOM 601 N ALA A 258 -10.273 -0.032 -0.821 1.00 0.10 N ATOM 602 CA ALA A 258 -11.409 -0.804 -0.375 1.00 0.11 C ATOM 603 C ALA A 258 -11.102 -2.266 -0.404 1.00 0.11 C ATOM 604 O ALA A 258 -11.272 -2.940 -1.415 1.00 0.14 O ATOM 605 CB ALA A 258 -12.599 -0.522 -1.238 1.00 0.14 C ATOM 0 H ALA A 258 -10.214 0.108 -1.830 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.633 -0.514 0.652 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.448 -1.111 -0.891 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.846 0.538 -1.183 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.371 -0.788 -2.270 1.00 0.14 H new ATOM 611 N LEU A 259 -10.659 -2.744 0.719 1.00 0.10 N ATOM 612 CA LEU A 259 -10.321 -4.142 0.859 1.00 0.12 C ATOM 613 C LEU A 259 -10.387 -4.580 2.310 1.00 0.12 C ATOM 614 O LEU A 259 -10.509 -3.755 3.215 1.00 0.12 O ATOM 615 CB LEU A 259 -8.937 -4.422 0.285 1.00 0.14 C ATOM 616 CG LEU A 259 -8.063 -3.192 0.136 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.660 -3.512 0.534 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.090 -2.682 -1.278 1.00 0.55 C ATOM 0 H LEU A 259 -10.520 -2.188 1.562 1.00 0.10 H new ATOM 0 HA LEU A 259 -11.055 -4.719 0.297 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.428 -5.139 0.929 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -9.050 -4.894 -0.691 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.455 -2.413 0.790 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.039 -2.623 0.424 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.643 -3.841 1.573 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.273 -4.306 -0.104 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.455 -1.799 -1.359 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.722 -3.456 -1.951 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.112 -2.420 -1.551 1.00 0.55 H new ATOM 630 N GLU A 260 -10.301 -5.880 2.523 1.00 0.15 N ATOM 631 CA GLU A 260 -10.462 -6.441 3.847 1.00 0.16 C ATOM 632 C GLU A 260 -9.141 -6.998 4.346 1.00 0.15 C ATOM 633 O GLU A 260 -8.174 -7.112 3.604 1.00 0.16 O ATOM 634 CB GLU A 260 -11.553 -7.527 3.816 1.00 0.21 C ATOM 635 CG GLU A 260 -11.469 -8.582 4.912 1.00 0.23 C ATOM 636 CD GLU A 260 -12.819 -8.897 5.510 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.544 -9.729 4.928 1.00 0.92 O ATOM 638 OE2 GLU A 260 -13.157 -8.326 6.566 1.00 0.75 O ATOM 0 H GLU A 260 -10.120 -6.568 1.792 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.774 -5.659 4.540 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.526 -7.040 3.880 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.511 -8.030 2.850 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.034 -9.494 4.503 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.799 -8.234 5.698 1.00 0.23 H new ATOM 645 N VAL A 261 -9.092 -7.268 5.616 1.00 0.16 N ATOM 646 CA VAL A 261 -8.029 -8.037 6.199 1.00 0.16 C ATOM 647 C VAL A 261 -7.860 -9.394 5.511 1.00 0.17 C ATOM 648 O VAL A 261 -8.778 -10.218 5.503 1.00 0.21 O ATOM 649 CB VAL A 261 -8.344 -8.263 7.673 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.315 -9.174 8.323 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.444 -6.925 8.349 1.00 0.18 C ATOM 0 H VAL A 261 -9.796 -6.958 6.286 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.099 -7.482 6.075 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.299 -8.777 7.778 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.567 -9.316 9.374 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.312 -10.139 7.817 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.327 -8.721 8.245 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.669 -7.067 9.406 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.497 -6.395 8.248 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.238 -6.341 7.884 1.00 0.18 H new ATOM 661 N GLY A 262 -6.687 -9.621 4.943 1.00 0.17 N ATOM 662 CA GLY A 262 -6.396 -10.883 4.314 1.00 0.18 C ATOM 663 C GLY A 262 -6.527 -10.810 2.828 1.00 0.17 C ATOM 664 O GLY A 262 -6.310 -11.784 2.112 1.00 0.19 O ATOM 0 H GLY A 262 -5.926 -8.943 4.909 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.384 -11.193 4.574 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.072 -11.645 4.701 1.00 0.18 H new ATOM 668 N GLU A 263 -6.912 -9.654 2.373 1.00 0.16 N ATOM 669 CA GLU A 263 -7.020 -9.377 0.977 1.00 0.17 C ATOM 670 C GLU A 263 -5.673 -8.928 0.443 1.00 0.13 C ATOM 671 O GLU A 263 -4.649 -9.225 1.031 1.00 0.11 O ATOM 672 CB GLU A 263 -8.112 -8.343 0.883 1.00 0.18 C ATOM 673 CG GLU A 263 -9.339 -8.869 1.598 1.00 0.21 C ATOM 674 CD GLU A 263 -10.143 -9.849 0.768 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.107 -9.749 -0.475 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.802 -10.733 1.355 1.00 0.75 O ATOM 0 H GLU A 263 -7.163 -8.868 2.973 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.281 -10.238 0.361 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.785 -7.406 1.333 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.344 -8.132 -0.161 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.031 -9.355 2.524 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.977 -8.030 1.875 1.00 0.21 H new ATOM 683 N LEU A 264 -5.654 -8.232 -0.649 1.00 0.17 N ATOM 684 CA LEU A 264 -4.393 -7.864 -1.267 1.00 0.18 C ATOM 685 C LEU A 264 -4.468 -6.441 -1.778 1.00 0.17 C ATOM 686 O LEU A 264 -5.523 -5.947 -2.179 1.00 0.31 O ATOM 687 CB LEU A 264 -4.143 -8.861 -2.388 1.00 0.48 C ATOM 688 CG LEU A 264 -2.756 -8.966 -3.058 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.377 -7.708 -3.785 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.671 -9.326 -2.071 1.00 0.83 C ATOM 0 H LEU A 264 -6.486 -7.902 -1.139 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.567 -7.898 -0.556 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.386 -9.849 -1.998 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.864 -8.644 -3.176 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.843 -9.772 -3.787 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.394 -7.832 -4.239 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.112 -7.502 -4.563 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.349 -6.876 -3.082 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.714 -9.388 -2.589 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.615 -8.561 -1.296 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.900 -10.289 -1.614 1.00 0.83 H new ATOM 702 N VAL A 265 -3.331 -5.812 -1.735 1.00 0.19 N ATOM 703 CA VAL A 265 -3.164 -4.446 -2.122 1.00 0.19 C ATOM 704 C VAL A 265 -1.805 -4.302 -2.773 1.00 0.24 C ATOM 705 O VAL A 265 -0.906 -5.046 -2.459 1.00 0.47 O ATOM 706 CB VAL A 265 -3.254 -3.538 -0.875 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.936 -3.434 -0.132 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.687 -2.160 -1.193 1.00 0.27 C ATOM 0 H VAL A 265 -2.467 -6.252 -1.419 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.945 -4.151 -2.822 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.002 -4.024 -0.248 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.057 -2.784 0.735 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.625 -4.425 0.198 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.177 -3.018 -0.794 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.731 -1.572 -0.276 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.976 -1.705 -1.883 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.674 -2.186 -1.655 1.00 0.27 H new ATOM 718 N LYS A 266 -1.655 -3.398 -3.693 1.00 0.14 N ATOM 719 CA LYS A 266 -0.348 -3.118 -4.234 1.00 0.15 C ATOM 720 C LYS A 266 0.063 -1.737 -3.835 1.00 0.32 C ATOM 721 O LYS A 266 -0.781 -0.901 -3.577 1.00 0.74 O ATOM 722 CB LYS A 266 -0.323 -3.265 -5.750 1.00 0.26 C ATOM 723 CG LYS A 266 1.024 -2.874 -6.335 1.00 0.42 C ATOM 724 CD LYS A 266 0.973 -2.569 -7.831 1.00 0.57 C ATOM 725 CE LYS A 266 -0.451 -2.544 -8.384 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.480 -2.427 -9.866 1.00 1.84 N ATOM 0 H LYS A 266 -2.413 -2.841 -4.087 1.00 0.14 H new ATOM 0 HA LYS A 266 0.357 -3.844 -3.829 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.550 -4.297 -6.018 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.103 -2.643 -6.188 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.400 -1.998 -5.806 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.735 -3.682 -6.161 1.00 0.42 H new ATOM 0 HD2 LYS A 266 1.446 -1.605 -8.017 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.553 -3.318 -8.369 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.971 -3.454 -8.084 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.994 -1.707 -7.945 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.467 -2.414 -10.194 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.008 -1.546 -10.154 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.014 -3.239 -10.288 1.00 1.84 H new ATOM 740 N VAL A 267 1.345 -1.507 -3.700 1.00 0.14 N ATOM 741 CA VAL A 267 1.786 -0.170 -3.496 1.00 0.16 C ATOM 742 C VAL A 267 2.643 0.266 -4.676 1.00 0.20 C ATOM 743 O VAL A 267 3.749 -0.224 -4.918 1.00 0.23 O ATOM 744 CB VAL A 267 2.485 0.026 -2.142 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.751 -0.801 -2.025 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.737 1.497 -1.922 1.00 0.22 C ATOM 0 H VAL A 267 2.078 -2.216 -3.728 1.00 0.14 H new ATOM 0 HA VAL A 267 0.912 0.479 -3.450 1.00 0.16 H new ATOM 0 HB VAL A 267 1.828 -0.337 -1.351 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.209 -0.629 -1.051 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.506 -1.858 -2.129 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.449 -0.511 -2.811 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.233 1.642 -0.962 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.372 1.881 -2.720 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.788 2.033 -1.924 1.00 0.22 H new ATOM 756 N THR A 268 2.048 1.169 -5.418 1.00 0.21 N ATOM 757 CA THR A 268 2.545 1.648 -6.684 1.00 0.24 C ATOM 758 C THR A 268 2.848 3.142 -6.664 1.00 0.24 C ATOM 759 O THR A 268 3.423 3.673 -7.614 1.00 0.35 O ATOM 760 CB THR A 268 1.463 1.394 -7.745 1.00 0.26 C ATOM 761 OG1 THR A 268 1.843 1.950 -9.010 1.00 0.31 O ATOM 762 CG2 THR A 268 0.132 1.991 -7.274 1.00 0.24 C ATOM 0 H THR A 268 1.169 1.607 -5.144 1.00 0.21 H new ATOM 0 HA THR A 268 3.474 1.121 -6.903 1.00 0.24 H new ATOM 0 HB THR A 268 1.348 0.318 -7.876 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.560 2.605 -8.877 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.635 1.810 -8.027 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.164 1.523 -6.335 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.247 3.064 -7.124 1.00 0.24 H new ATOM 770 N LYS A 269 2.455 3.835 -5.615 1.00 0.20 N ATOM 771 CA LYS A 269 2.572 5.274 -5.618 1.00 0.23 C ATOM 772 C LYS A 269 3.464 5.716 -4.479 1.00 0.28 C ATOM 773 O LYS A 269 3.141 5.530 -3.325 1.00 0.45 O ATOM 774 CB LYS A 269 1.199 5.909 -5.459 1.00 0.25 C ATOM 775 CG LYS A 269 1.090 7.346 -5.967 1.00 0.49 C ATOM 776 CD LYS A 269 1.428 7.470 -7.448 1.00 0.59 C ATOM 777 CE LYS A 269 2.842 7.991 -7.668 1.00 0.49 C ATOM 778 NZ LYS A 269 3.162 8.131 -9.115 1.00 1.40 N ATOM 0 H LYS A 269 2.059 3.433 -4.765 1.00 0.20 H new ATOM 0 HA LYS A 269 3.007 5.591 -6.566 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.468 5.296 -5.987 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.927 5.891 -4.404 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.077 7.712 -5.797 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.760 7.983 -5.390 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.321 6.497 -7.927 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.715 8.141 -7.928 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.954 8.957 -7.176 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.556 7.312 -7.202 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 4.133 8.488 -9.223 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.080 7.204 -9.580 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.497 8.799 -9.555 1.00 1.40 H new ATOM 792 N ILE A 270 4.600 6.264 -4.803 1.00 0.31 N ATOM 793 CA ILE A 270 5.481 6.806 -3.791 1.00 0.34 C ATOM 794 C ILE A 270 5.347 8.308 -3.713 1.00 0.38 C ATOM 795 O ILE A 270 5.696 9.040 -4.640 1.00 0.42 O ATOM 796 CB ILE A 270 6.956 6.407 -4.017 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.125 5.529 -5.272 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.493 5.679 -2.800 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.974 6.273 -6.583 1.00 1.44 C ATOM 0 H ILE A 270 4.944 6.351 -5.759 1.00 0.31 H new ATOM 0 HA ILE A 270 5.173 6.372 -2.840 1.00 0.34 H new ATOM 0 HB ILE A 270 7.525 7.324 -4.173 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.110 5.063 -5.244 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.391 4.724 -5.239 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.533 5.403 -2.971 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.429 6.331 -1.929 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.903 4.780 -2.624 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.108 5.579 -7.413 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.980 6.716 -6.638 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.726 7.060 -6.643 1.00 1.44 H new ATOM 811 N ASN A 271 4.810 8.739 -2.592 1.00 0.40 N ATOM 812 CA ASN A 271 4.499 10.127 -2.352 1.00 0.47 C ATOM 813 C ASN A 271 4.786 10.526 -0.916 1.00 0.49 C ATOM 814 O ASN A 271 5.324 9.745 -0.137 1.00 0.51 O ATOM 815 CB ASN A 271 3.028 10.380 -2.609 1.00 0.52 C ATOM 816 CG ASN A 271 2.165 9.160 -2.359 1.00 0.57 C ATOM 817 OD1 ASN A 271 1.787 8.448 -3.281 1.00 0.94 O ATOM 818 ND2 ASN A 271 1.886 8.881 -1.097 1.00 0.46 N ATOM 0 H ASN A 271 4.575 8.125 -1.812 1.00 0.40 H new ATOM 0 HA ASN A 271 5.124 10.714 -3.025 1.00 0.47 H new ATOM 0 HB2 ASN A 271 2.688 11.196 -1.971 1.00 0.52 H new ATOM 0 HB3 ASN A 271 2.896 10.706 -3.641 1.00 0.52 H new ATOM 0 HD21 ASN A 271 1.340 8.051 -0.867 1.00 0.46 H new ATOM 0 HD22 ASN A 271 2.217 9.496 -0.354 1.00 0.46 H new ATOM 825 N MET A 272 4.378 11.750 -0.592 1.00 0.55 N ATOM 826 CA MET A 272 4.495 12.335 0.741 1.00 0.61 C ATOM 827 C MET A 272 5.865 12.039 1.377 1.00 0.57 C ATOM 828 O MET A 272 6.874 11.963 0.673 1.00 0.59 O ATOM 829 CB MET A 272 3.319 11.911 1.651 1.00 0.78 C ATOM 830 CG MET A 272 3.374 10.492 2.176 1.00 0.63 C ATOM 831 SD MET A 272 1.920 10.056 3.163 1.00 0.77 S ATOM 832 CE MET A 272 0.805 9.429 1.903 1.00 0.59 C ATOM 0 H MET A 272 3.945 12.380 -1.268 1.00 0.55 H new ATOM 0 HA MET A 272 4.433 13.418 0.630 1.00 0.61 H new ATOM 0 HB2 MET A 272 3.278 12.592 2.501 1.00 0.78 H new ATOM 0 HB3 MET A 272 2.390 12.038 1.095 1.00 0.78 H new ATOM 0 HG2 MET A 272 3.459 9.801 1.337 1.00 0.63 H new ATOM 0 HG3 MET A 272 4.271 10.368 2.783 1.00 0.63 H new ATOM 0 HE1 MET A 272 -0.173 9.239 2.345 1.00 0.59 H new ATOM 0 HE2 MET A 272 0.707 10.165 1.105 1.00 0.59 H new ATOM 0 HE3 MET A 272 1.204 8.501 1.493 1.00 0.59 H new ATOM 842 N SER A 273 5.920 11.919 2.696 1.00 0.68 N ATOM 843 CA SER A 273 7.182 11.734 3.381 1.00 0.75 C ATOM 844 C SER A 273 7.186 10.511 4.308 1.00 0.85 C ATOM 845 O SER A 273 7.919 10.486 5.298 1.00 1.04 O ATOM 846 CB SER A 273 7.475 13.002 4.170 1.00 0.89 C ATOM 847 OG SER A 273 6.268 13.635 4.564 1.00 1.24 O ATOM 0 H SER A 273 5.105 11.947 3.308 1.00 0.68 H new ATOM 0 HA SER A 273 7.957 11.546 2.638 1.00 0.75 H new ATOM 0 HB2 SER A 273 8.069 12.759 5.051 1.00 0.89 H new ATOM 0 HB3 SER A 273 8.069 13.685 3.563 1.00 0.89 H new ATOM 0 HG SER A 273 6.475 14.447 5.072 1.00 1.24 H new ATOM 853 N GLY A 274 6.396 9.488 3.987 1.00 0.80 N ATOM 854 CA GLY A 274 6.402 8.289 4.813 1.00 0.97 C ATOM 855 C GLY A 274 5.425 7.220 4.343 1.00 0.85 C ATOM 856 O GLY A 274 5.825 6.095 4.080 1.00 1.00 O ATOM 0 H GLY A 274 5.764 9.465 3.187 1.00 0.80 H new ATOM 0 HA2 GLY A 274 7.408 7.870 4.824 1.00 0.97 H new ATOM 0 HA3 GLY A 274 6.160 8.564 5.840 1.00 0.97 H new ATOM 860 N GLN A 275 4.145 7.549 4.243 1.00 0.69 N ATOM 861 CA GLN A 275 3.161 6.578 3.761 1.00 0.58 C ATOM 862 C GLN A 275 2.917 6.771 2.288 1.00 0.47 C ATOM 863 O GLN A 275 3.356 7.753 1.707 1.00 0.48 O ATOM 864 CB GLN A 275 1.861 6.631 4.559 1.00 0.64 C ATOM 865 CG GLN A 275 2.010 6.047 5.958 1.00 0.79 C ATOM 866 CD GLN A 275 2.832 4.757 5.993 1.00 1.11 C ATOM 867 OE1 GLN A 275 3.492 4.465 6.988 1.00 1.87 O ATOM 868 NE2 GLN A 275 2.784 3.959 4.926 1.00 1.33 N ATOM 0 H GLN A 275 3.763 8.464 4.484 1.00 0.69 H new ATOM 0 HA GLN A 275 3.573 5.581 3.914 1.00 0.58 H new ATOM 0 HB2 GLN A 275 1.527 7.666 4.635 1.00 0.64 H new ATOM 0 HB3 GLN A 275 1.086 6.084 4.021 1.00 0.64 H new ATOM 0 HG2 GLN A 275 2.481 6.787 6.604 1.00 0.79 H new ATOM 0 HG3 GLN A 275 1.020 5.850 6.369 1.00 0.79 H new ATOM 0 HE21 GLN A 275 2.228 4.226 4.114 1.00 1.33 H new ATOM 0 HE22 GLN A 275 3.303 3.081 4.922 1.00 1.33 H new ATOM 877 N TRP A 276 2.280 5.816 1.654 1.00 0.41 N ATOM 878 CA TRP A 276 2.133 5.885 0.223 1.00 0.33 C ATOM 879 C TRP A 276 0.758 5.454 -0.213 1.00 0.23 C ATOM 880 O TRP A 276 -0.099 5.122 0.609 1.00 0.22 O ATOM 881 CB TRP A 276 3.170 5.016 -0.476 1.00 0.41 C ATOM 882 CG TRP A 276 4.400 4.755 0.339 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.633 3.679 1.144 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.553 5.590 0.445 1.00 0.58 C ATOM 885 NE1 TRP A 276 5.862 3.802 1.740 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.444 4.963 1.322 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.913 6.803 -0.119 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.678 5.510 1.648 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.140 7.351 0.198 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.011 6.704 1.077 1.00 0.82 C ATOM 0 H TRP A 276 1.863 4.997 2.097 1.00 0.41 H new ATOM 0 HA TRP A 276 2.283 6.927 -0.059 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.712 4.062 -0.738 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.461 5.497 -1.410 1.00 0.41 H new ATOM 0 HD1 TRP A 276 3.952 2.854 1.290 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.274 3.133 2.391 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.244 7.312 -0.797 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.350 5.009 2.329 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.430 8.294 -0.240 1.00 0.69 H new ATOM 0 HH2 TRP A 276 8.964 7.156 1.309 1.00 0.82 H new ATOM 901 N GLU A 277 0.569 5.468 -1.515 1.00 0.19 N ATOM 902 CA GLU A 277 -0.662 5.086 -2.121 1.00 0.16 C ATOM 903 C GLU A 277 -0.500 3.761 -2.782 1.00 0.19 C ATOM 904 O GLU A 277 0.605 3.293 -2.980 1.00 0.48 O ATOM 905 CB GLU A 277 -1.114 6.159 -3.093 1.00 0.15 C ATOM 906 CG GLU A 277 -1.931 7.218 -2.409 1.00 0.23 C ATOM 907 CD GLU A 277 -2.160 8.444 -3.261 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.772 8.313 -4.340 1.00 0.92 O ATOM 909 OE2 GLU A 277 -1.727 9.545 -2.862 1.00 1.03 O ATOM 0 H GLU A 277 1.286 5.752 -2.182 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.439 4.987 -1.363 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.243 6.617 -3.561 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.702 5.704 -3.890 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.895 6.796 -2.126 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.430 7.514 -1.487 1.00 0.23 H new ATOM 916 N GLY A 278 -1.604 3.162 -3.085 1.00 0.39 N ATOM 917 CA GLY A 278 -1.623 1.832 -3.560 1.00 0.34 C ATOM 918 C GLY A 278 -2.725 1.657 -4.549 1.00 0.28 C ATOM 919 O GLY A 278 -3.500 2.580 -4.783 1.00 0.32 O ATOM 0 H GLY A 278 -2.525 3.593 -3.006 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.666 1.589 -4.023 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.758 1.142 -2.727 1.00 0.34 H new ATOM 923 N GLU A 279 -2.812 0.486 -5.109 1.00 0.22 N ATOM 924 CA GLU A 279 -3.840 0.178 -6.034 1.00 0.18 C ATOM 925 C GLU A 279 -4.061 -1.306 -6.006 1.00 0.13 C ATOM 926 O GLU A 279 -3.183 -2.097 -6.349 1.00 0.14 O ATOM 927 CB GLU A 279 -3.512 0.641 -7.431 1.00 0.25 C ATOM 928 CG GLU A 279 -4.743 0.611 -8.286 1.00 0.27 C ATOM 929 CD GLU A 279 -4.701 -0.474 -9.338 1.00 0.66 C ATOM 930 OE1 GLU A 279 -4.040 -0.273 -10.376 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.312 -1.536 -9.118 1.00 0.99 O ATOM 0 H GLU A 279 -2.163 -0.280 -4.930 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.747 0.708 -5.743 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.105 1.652 -7.401 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.744 0.000 -7.864 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.617 0.462 -7.652 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.865 1.578 -8.773 1.00 0.27 H new ATOM 938 N CYS A 280 -5.206 -1.665 -5.512 1.00 0.10 N ATOM 939 CA CYS A 280 -5.568 -3.035 -5.348 1.00 0.12 C ATOM 940 C CYS A 280 -6.624 -3.425 -6.350 1.00 0.15 C ATOM 941 O CYS A 280 -7.813 -3.295 -6.073 1.00 0.19 O ATOM 942 CB CYS A 280 -6.118 -3.146 -3.968 1.00 0.17 C ATOM 943 SG CYS A 280 -5.951 -1.610 -3.078 1.00 1.52 S ATOM 0 H CYS A 280 -5.922 -1.005 -5.208 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.712 -3.693 -5.502 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.170 -3.429 -4.015 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.598 -3.939 -3.430 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.751 -1.140 -3.246 1.00 1.52 H new ATOM 949 N ASN A 281 -6.181 -3.895 -7.500 1.00 0.18 N ATOM 950 CA ASN A 281 -7.073 -4.357 -8.556 1.00 0.25 C ATOM 951 C ASN A 281 -8.250 -3.391 -8.752 1.00 0.23 C ATOM 952 O ASN A 281 -9.386 -3.810 -8.990 1.00 0.32 O ATOM 953 CB ASN A 281 -7.577 -5.771 -8.244 1.00 0.33 C ATOM 954 CG ASN A 281 -6.454 -6.735 -7.871 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.679 -7.717 -7.165 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.232 -6.460 -8.321 1.00 0.69 N ATOM 0 H ASN A 281 -5.191 -3.969 -7.733 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.510 -4.385 -9.489 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.294 -5.723 -7.425 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.110 -6.161 -9.111 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.451 -7.071 -8.082 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.076 -5.638 -8.905 1.00 0.69 H new ATOM 963 N GLY A 282 -7.960 -2.092 -8.683 1.00 0.17 N ATOM 964 CA GLY A 282 -8.972 -1.087 -8.909 1.00 0.18 C ATOM 965 C GLY A 282 -9.432 -0.340 -7.661 1.00 0.16 C ATOM 966 O GLY A 282 -10.377 0.446 -7.731 1.00 0.28 O ATOM 0 H GLY A 282 -7.033 -1.722 -8.473 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.588 -0.362 -9.627 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.838 -1.563 -9.369 1.00 0.18 H new ATOM 970 N LYS A 283 -8.786 -0.565 -6.521 1.00 0.10 N ATOM 971 CA LYS A 283 -8.893 0.382 -5.414 1.00 0.10 C ATOM 972 C LYS A 283 -7.589 1.116 -5.326 1.00 0.09 C ATOM 973 O LYS A 283 -6.548 0.534 -5.571 1.00 0.12 O ATOM 974 CB LYS A 283 -9.143 -0.232 -4.029 1.00 0.11 C ATOM 975 CG LYS A 283 -10.351 -1.146 -3.911 1.00 0.15 C ATOM 976 CD LYS A 283 -10.101 -2.516 -4.504 1.00 0.14 C ATOM 977 CE LYS A 283 -11.272 -3.432 -4.278 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.072 -4.768 -4.898 1.00 0.38 N ATOM 0 H LYS A 283 -8.195 -1.376 -6.340 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.760 1.003 -5.639 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.257 -0.796 -3.739 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.255 0.579 -3.309 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.621 -1.252 -2.860 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.201 -0.686 -4.414 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.911 -2.422 -5.573 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.206 -2.950 -4.058 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.435 -3.552 -3.207 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.172 -2.975 -4.688 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -11.905 -5.364 -4.716 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.943 -4.659 -5.924 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.228 -5.218 -4.489 1.00 0.38 H new ATOM 992 N ARG A 284 -7.637 2.373 -4.974 1.00 0.07 N ATOM 993 CA ARG A 284 -6.427 3.154 -4.833 1.00 0.09 C ATOM 994 C ARG A 284 -6.527 4.056 -3.624 1.00 0.11 C ATOM 995 O ARG A 284 -7.616 4.509 -3.278 1.00 0.13 O ATOM 996 CB ARG A 284 -6.165 3.989 -6.055 1.00 0.11 C ATOM 997 CG ARG A 284 -6.381 3.213 -7.322 1.00 0.20 C ATOM 998 CD ARG A 284 -5.670 3.871 -8.479 1.00 0.35 C ATOM 999 NE ARG A 284 -5.992 3.270 -9.770 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.278 3.474 -10.878 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -4.218 4.272 -10.850 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -5.624 2.876 -12.010 1.00 1.46 N ATOM 0 H ARG A 284 -8.499 2.882 -4.779 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.599 2.457 -4.707 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.821 4.860 -6.047 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.141 4.361 -6.028 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.016 2.194 -7.197 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.448 3.145 -7.535 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.931 4.929 -8.503 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.594 3.812 -8.317 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.808 2.661 -9.828 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -3.948 4.731 -9.980 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -3.673 4.427 -11.699 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.436 2.260 -12.034 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -5.078 3.032 -12.857 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.402 4.338 -3.002 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.435 5.108 -1.785 1.00 0.14 C ATOM 1018 C GLY A 285 -4.212 4.943 -0.919 1.00 0.15 C ATOM 1019 O GLY A 285 -3.311 4.217 -1.268 1.00 0.24 O ATOM 0 H GLY A 285 -4.474 4.051 -3.313 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.549 6.162 -2.038 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.316 4.821 -1.210 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.205 5.570 0.242 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.018 5.637 1.059 1.00 0.12 C ATOM 1025 C HIS A 286 -3.286 5.108 2.431 1.00 0.12 C ATOM 1026 O HIS A 286 -4.333 5.376 3.012 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.507 7.075 1.152 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.588 8.122 1.169 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.598 8.165 2.112 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.825 9.152 0.325 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.409 9.174 1.841 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.959 9.789 0.763 1.00 0.23 N ATOM 0 H HIS A 286 -5.017 6.042 0.639 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.254 5.019 0.587 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.907 7.176 2.056 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.846 7.267 0.307 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.231 9.423 -0.535 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.288 9.448 2.405 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.385 10.606 0.326 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.297 4.409 2.951 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.445 3.636 4.173 1.00 0.11 C ATOM 1043 C PHE A 287 -1.079 3.084 4.570 1.00 0.15 C ATOM 1044 O PHE A 287 -0.333 2.617 3.711 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.402 2.440 3.983 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.892 2.705 3.991 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.484 3.533 4.932 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.708 2.098 3.045 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.848 3.751 4.925 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.067 2.312 3.032 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.639 3.140 3.973 1.00 0.12 C ATOM 0 H PHE A 287 -1.365 4.359 2.539 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.855 4.294 4.939 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.154 1.963 3.035 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.189 1.716 4.769 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.871 4.014 5.680 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.267 1.446 2.306 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.295 4.399 5.664 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.684 1.832 2.286 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.705 3.311 3.966 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.725 3.148 5.859 1.00 0.17 N ATOM 1062 CA PRO A 288 0.517 2.573 6.386 1.00 0.23 C ATOM 1063 C PRO A 288 0.709 1.098 6.042 1.00 0.18 C ATOM 1064 O PRO A 288 -0.236 0.381 5.728 1.00 0.16 O ATOM 1065 CB PRO A 288 0.379 2.754 7.906 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.060 3.062 8.126 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.462 3.837 6.916 1.00 0.23 C ATOM 0 HA PRO A 288 1.388 3.063 5.952 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.676 1.851 8.440 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.016 3.562 8.267 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.650 2.151 8.229 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.208 3.642 9.037 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.539 3.806 6.750 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.181 4.888 6.992 1.00 0.23 H new ATOM 1075 N PHE A 289 1.957 0.668 6.091 1.00 0.23 N ATOM 1076 CA PHE A 289 2.313 -0.739 5.870 1.00 0.26 C ATOM 1077 C PHE A 289 1.930 -1.583 7.070 1.00 0.23 C ATOM 1078 O PHE A 289 1.855 -2.808 6.971 1.00 0.26 O ATOM 1079 CB PHE A 289 3.811 -0.889 5.634 1.00 0.38 C ATOM 1080 CG PHE A 289 4.322 -2.302 5.770 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.750 -2.798 6.968 1.00 0.32 C ATOM 1082 CD2 PHE A 289 4.360 -3.121 4.673 1.00 0.26 C ATOM 1083 CE1 PHE A 289 5.210 -4.102 7.072 1.00 0.31 C ATOM 1084 CE2 PHE A 289 4.808 -4.421 4.756 1.00 0.26 C ATOM 1085 CZ PHE A 289 5.286 -4.887 6.075 1.00 0.26 C ATOM 0 H PHE A 289 2.755 1.274 6.283 1.00 0.23 H new ATOM 0 HA PHE A 289 1.767 -1.078 4.990 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.048 -0.524 4.635 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.344 -0.253 6.341 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.730 -2.167 7.845 1.00 0.32 H new ATOM 0 HD2 PHE A 289 4.030 -2.738 3.719 1.00 0.26 H new ATOM 0 HE1 PHE A 289 5.517 -4.466 8.041 1.00 0.31 H new ATOM 0 HE2 PHE A 289 4.810 -5.072 3.894 1.00 0.26 H new ATOM 0 HZ PHE A 289 5.694 -5.880 6.190 1.00 0.26 H new ATOM 1095 N THR A 290 1.673 -0.909 8.188 1.00 0.24 N ATOM 1096 CA THR A 290 1.421 -1.536 9.481 1.00 0.27 C ATOM 1097 C THR A 290 0.290 -2.563 9.439 1.00 0.23 C ATOM 1098 O THR A 290 -0.082 -3.131 10.465 1.00 0.28 O ATOM 1099 CB THR A 290 1.089 -0.455 10.519 1.00 0.36 C ATOM 1100 OG1 THR A 290 0.088 0.425 9.994 1.00 0.62 O ATOM 1101 CG2 THR A 290 2.332 0.342 10.888 1.00 0.44 C ATOM 0 H THR A 290 1.633 0.110 8.220 1.00 0.24 H new ATOM 0 HA THR A 290 2.329 -2.072 9.756 1.00 0.27 H new ATOM 0 HB THR A 290 0.713 -0.943 11.419 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.124 1.113 10.659 1.00 0.62 H new ATOM 0 HG21 THR A 290 2.072 1.102 11.625 1.00 0.44 H new ATOM 0 HG22 THR A 290 3.083 -0.328 11.307 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.733 0.824 9.996 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.248 -2.802 8.256 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.379 -3.668 8.108 1.00 0.16 C ATOM 1111 C HIS A 291 -1.319 -4.372 6.767 1.00 0.14 C ATOM 1112 O HIS A 291 -2.359 -4.639 6.159 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.693 -2.892 8.231 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.801 -1.691 7.330 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.281 -0.462 7.733 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -2.528 -1.559 6.019 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -3.294 0.360 6.698 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -2.841 -0.280 5.649 1.00 0.77 N ATOM 0 H HIS A 291 0.092 -2.399 7.383 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.346 -4.407 8.909 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.520 -3.568 8.014 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.811 -2.566 9.264 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -3.579 -0.225 8.679 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -2.131 -2.328 5.373 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -3.623 1.388 6.715 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.117 -4.631 6.269 1.00 0.16 N ATOM 1128 CA VAL A 292 0.015 -5.435 5.063 1.00 0.15 C ATOM 1129 C VAL A 292 1.157 -6.439 5.204 1.00 0.19 C ATOM 1130 O VAL A 292 2.085 -6.244 5.987 1.00 0.22 O ATOM 1131 CB VAL A 292 0.245 -4.547 3.815 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.566 -3.279 3.881 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.691 -4.199 3.677 1.00 0.31 C ATOM 0 H VAL A 292 0.762 -4.304 6.671 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.920 -5.979 4.929 1.00 0.15 H new ATOM 0 HB VAL A 292 -0.078 -5.122 2.947 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.379 -2.681 2.989 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.626 -3.527 3.936 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -0.280 -2.710 4.766 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.832 -3.575 2.795 1.00 0.31 H new ATOM 0 HG22 VAL A 292 2.021 -3.655 4.562 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.277 -5.112 3.573 1.00 0.31 H new ATOM 1143 N ARG A 293 1.046 -7.519 4.456 1.00 0.22 N ATOM 1144 CA ARG A 293 2.056 -8.565 4.412 1.00 0.21 C ATOM 1145 C ARG A 293 2.487 -8.736 2.985 1.00 0.32 C ATOM 1146 O ARG A 293 1.814 -9.432 2.244 1.00 0.70 O ATOM 1147 CB ARG A 293 1.407 -9.874 4.800 1.00 0.19 C ATOM 1148 CG ARG A 293 0.367 -9.756 5.887 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.502 -10.994 5.917 1.00 0.26 C ATOM 1150 NE ARG A 293 0.297 -12.221 5.881 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.105 -13.381 5.353 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.350 -13.530 4.920 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.738 -14.402 5.293 1.00 0.60 N ATOM 0 H ARG A 293 0.243 -7.700 3.853 1.00 0.22 H new ATOM 0 HA ARG A 293 2.885 -8.306 5.070 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.943 -10.312 3.916 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.182 -10.566 5.129 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.854 -9.621 6.853 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.250 -8.874 5.715 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.115 -10.986 6.818 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.184 -10.980 5.067 1.00 0.26 H new ATOM 0 HE ARG A 293 1.231 -12.188 6.290 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.010 -12.755 4.989 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.647 -14.419 4.519 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.688 -14.300 5.649 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.436 -15.290 4.891 1.00 0.60 H new ATOM 1167 N LEU A 294 3.614 -8.210 2.589 1.00 0.18 N ATOM 1168 CA LEU A 294 3.804 -8.049 1.167 1.00 0.18 C ATOM 1169 C LEU A 294 3.979 -9.358 0.410 1.00 0.21 C ATOM 1170 O LEU A 294 4.241 -10.425 0.972 1.00 0.30 O ATOM 1171 CB LEU A 294 4.970 -7.154 0.778 1.00 0.22 C ATOM 1172 CG LEU A 294 5.335 -5.972 1.675 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.586 -5.321 1.136 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.239 -4.929 1.736 1.00 0.58 C ATOM 0 H LEU A 294 4.378 -7.900 3.189 1.00 0.18 H new ATOM 0 HA LEU A 294 2.868 -7.571 0.878 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.854 -7.786 0.692 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.763 -6.759 -0.217 1.00 0.22 H new ATOM 0 HG LEU A 294 5.485 -6.359 2.683 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.857 -4.475 1.768 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.400 -6.046 1.131 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.405 -4.971 0.120 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.550 -4.112 2.387 1.00 0.58 H new ATOM 0 HD22 LEU A 294 4.048 -4.543 0.735 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.329 -5.380 2.131 1.00 0.58 H new ATOM 1186 N LEU A 295 3.855 -9.210 -0.894 1.00 0.20 N ATOM 1187 CA LEU A 295 3.968 -10.254 -1.855 1.00 0.22 C ATOM 1188 C LEU A 295 5.060 -9.876 -2.840 1.00 0.28 C ATOM 1189 O LEU A 295 5.813 -8.936 -2.593 1.00 0.31 O ATOM 1190 CB LEU A 295 2.654 -10.355 -2.590 1.00 0.23 C ATOM 1191 CG LEU A 295 1.955 -11.696 -2.521 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.314 -11.833 -1.159 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.922 -11.820 -3.630 1.00 0.28 C ATOM 0 H LEU A 295 3.662 -8.303 -1.320 1.00 0.20 H new ATOM 0 HA LEU A 295 4.208 -11.204 -1.377 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.980 -9.596 -2.194 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.827 -10.112 -3.638 1.00 0.23 H new ATOM 0 HG LEU A 295 2.678 -12.500 -2.663 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.805 -12.795 -1.091 1.00 0.29 H new ATOM 0 HD12 LEU A 295 2.082 -11.774 -0.388 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.592 -11.029 -1.014 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.431 -12.791 -3.563 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.179 -11.029 -3.525 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.415 -11.729 -4.598 1.00 0.28 H new ATOM 1205 N ASP A 296 5.110 -10.556 -3.976 1.00 0.39 N ATOM 1206 CA ASP A 296 6.142 -10.284 -4.963 1.00 0.50 C ATOM 1207 C ASP A 296 5.884 -8.962 -5.695 1.00 0.73 C ATOM 1208 O ASP A 296 6.402 -7.940 -5.290 1.00 1.81 O ATOM 1209 CB ASP A 296 6.265 -11.444 -5.952 1.00 0.84 C ATOM 1210 CG ASP A 296 7.470 -11.305 -6.860 1.00 1.76 C ATOM 1211 OD1 ASP A 296 8.572 -11.027 -6.348 1.00 2.44 O ATOM 1212 OD2 ASP A 296 7.316 -11.463 -8.090 1.00 2.42 O ATOM 0 H ASP A 296 4.454 -11.293 -4.235 1.00 0.39 H new ATOM 0 HA ASP A 296 7.090 -10.185 -4.434 1.00 0.50 H new ATOM 0 HB2 ASP A 296 6.335 -12.382 -5.401 1.00 0.84 H new ATOM 0 HB3 ASP A 296 5.361 -11.498 -6.559 1.00 0.84 H new ATOM 1217 N GLN A 297 5.068 -8.979 -6.745 1.00 0.53 N ATOM 1218 CA GLN A 297 4.833 -7.793 -7.575 1.00 0.41 C ATOM 1219 C GLN A 297 3.695 -8.079 -8.549 1.00 0.64 C ATOM 1220 O GLN A 297 2.964 -7.140 -8.918 1.00 1.25 O ATOM 1221 CB GLN A 297 6.112 -7.450 -8.330 1.00 0.51 C ATOM 1222 CG GLN A 297 6.635 -8.574 -9.199 1.00 0.88 C ATOM 1223 CD GLN A 297 8.020 -8.289 -9.732 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.389 -8.735 -10.819 1.00 1.02 O ATOM 1225 NE2 GLN A 297 8.805 -7.563 -8.954 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.517 -9.268 -8.909 1.00 1.41 O ATOM 0 H GLN A 297 4.553 -9.806 -7.046 1.00 0.53 H new ATOM 0 HA GLN A 297 4.555 -6.944 -6.950 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.929 -6.576 -8.955 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.883 -7.172 -7.611 1.00 0.51 H new ATOM 0 HG2 GLN A 297 6.653 -9.498 -8.622 1.00 0.88 H new ATOM 0 HG3 GLN A 297 5.952 -8.733 -10.034 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.457 -7.214 -8.061 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.759 -7.352 -9.247 1.00 1.02 H new TER 1235 GLN A 297