USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 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 290 THR OG1 : rot 180:sc= -0.815 USER MOD Set 1.2: A 291 HIS : no HE2:sc= -0.622 K(o=-1.4,f=-4.7!) USER MOD Set 2.1: A 280 CYS SG : rot 82:sc= 0.957 USER MOD Set 2.2: A 283 LYS NZ :NH3+ -123:sc= -0.726 (180deg=-2.51) USER MOD Set 3.1: A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 273 SER OG : rot 180:sc= -0.329 USER MOD Set 4.1: A 224 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.9!) USER MOD Set 4.2: A 233 ASN : amide:sc= 0 X(o=-0.36,f=-0.36) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 SER OG : rot 180:sc= 0.00896 USER MOD Single : A 228 ASN : amide:sc= 0.626 K(o=0.63,f=-0.18) USER MOD Single : A 229 THR OG1 : rot -85:sc= -1.43! USER MOD Single : A 235 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6.7!) USER MOD Single : A 236 ASN : amide:sc= -4.73! C(o=-4.7!,f=-10!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -107:sc= -2.04 (180deg=-6.43!) USER MOD Single : A 250 ASN : amide:sc= -3.64! K(o=-3.6!,f=-1.5) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -149:sc= 0.0403 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -3.06! USER MOD Single : A 266 LYS NZ :NH3+ -163:sc= 0.764 (180deg=0.417) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ -114:sc= 0.995 (180deg=-0.645) USER MOD Single : A 271 ASN : amide:sc= -2.76! C(o=-2.8!,f=-10!) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 281 ASN : amide:sc= -0.6 K(o=-0.6,f=-0.0098) USER MOD Single : A 286 HIS : no HE2:sc= -0.697 X(o=-0.7,f=-1.1!) USER MOD Single : A 297 GLN : amide:sc= -4.77! C(o=-4.8!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -18.216 7.866 2.640 1.00 6.89 N ATOM 2 CA GLY A 220 -18.374 6.595 3.385 1.00 6.03 C ATOM 3 C GLY A 220 -17.109 5.768 3.350 1.00 5.17 C ATOM 4 O GLY A 220 -16.010 6.321 3.312 1.00 5.52 O ATOM 0 HA2 GLY A 220 -18.640 6.810 4.420 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -19.196 6.022 2.957 1.00 6.03 H new ATOM 10 N PRO A 221 -17.225 4.429 3.373 1.00 4.25 N ATOM 11 CA PRO A 221 -16.071 3.520 3.302 1.00 3.64 C ATOM 12 C PRO A 221 -15.415 3.491 1.917 1.00 3.42 C ATOM 13 O PRO A 221 -14.515 2.687 1.670 1.00 3.65 O ATOM 14 CB PRO A 221 -16.664 2.149 3.646 1.00 3.01 C ATOM 15 CG PRO A 221 -18.020 2.422 4.195 1.00 3.25 C ATOM 16 CD PRO A 221 -18.482 3.681 3.519 1.00 4.10 C ATOM 0 HA PRO A 221 -15.276 3.836 3.977 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -16.720 1.514 2.762 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -16.045 1.626 4.375 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -18.700 1.595 3.990 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -17.987 2.547 5.277 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -18.950 3.479 2.556 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -19.212 4.223 4.121 1.00 4.10 H new ATOM 24 N TYR A 222 -15.898 4.360 1.021 1.00 3.36 N ATOM 25 CA TYR A 222 -15.346 4.536 -0.328 1.00 3.25 C ATOM 26 C TYR A 222 -15.869 3.475 -1.288 1.00 2.52 C ATOM 27 O TYR A 222 -16.839 3.712 -2.008 1.00 2.61 O ATOM 28 CB TYR A 222 -13.810 4.556 -0.329 1.00 3.76 C ATOM 29 CG TYR A 222 -13.200 5.660 0.511 1.00 4.63 C ATOM 30 CD1 TYR A 222 -13.098 6.957 0.026 1.00 5.31 C ATOM 31 CD2 TYR A 222 -12.712 5.397 1.785 1.00 5.08 C ATOM 32 CE1 TYR A 222 -12.528 7.960 0.787 1.00 6.23 C ATOM 33 CE2 TYR A 222 -12.145 6.394 2.553 1.00 6.03 C ATOM 34 CZ TYR A 222 -12.054 7.673 2.050 1.00 6.52 C ATOM 35 OH TYR A 222 -11.476 8.665 2.810 1.00 7.54 O ATOM 0 H TYR A 222 -16.693 4.969 1.215 1.00 3.36 H new ATOM 0 HA TYR A 222 -15.686 5.511 -0.677 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -13.446 3.595 0.035 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -13.460 4.662 -1.356 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -13.470 7.186 -0.962 1.00 5.31 H new ATOM 0 HD2 TYR A 222 -12.777 4.395 2.182 1.00 5.08 H new ATOM 0 HE1 TYR A 222 -12.454 8.963 0.395 1.00 6.23 H new ATOM 0 HE2 TYR A 222 -11.775 6.172 3.543 1.00 6.03 H new ATOM 0 HH TYR A 222 -11.197 8.295 3.673 1.00 7.54 H new ATOM 45 N ALA A 223 -15.250 2.309 -1.298 1.00 2.13 N ATOM 46 CA ALA A 223 -15.645 1.261 -2.226 1.00 2.17 C ATOM 47 C ALA A 223 -16.491 0.223 -1.518 1.00 2.50 C ATOM 48 O ALA A 223 -17.682 0.075 -1.781 1.00 3.04 O ATOM 49 CB ALA A 223 -14.416 0.621 -2.831 1.00 2.26 C ATOM 0 H ALA A 223 -14.477 2.063 -0.680 1.00 2.13 H new ATOM 0 HA ALA A 223 -16.241 1.701 -3.026 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -14.718 -0.163 -3.525 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -13.838 1.375 -3.365 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -13.804 0.189 -2.039 1.00 2.26 H new ATOM 55 N GLN A 224 -15.847 -0.481 -0.611 1.00 2.41 N ATOM 56 CA GLN A 224 -16.502 -1.414 0.276 1.00 2.84 C ATOM 57 C GLN A 224 -16.265 -0.923 1.684 1.00 2.61 C ATOM 58 O GLN A 224 -15.516 0.038 1.852 1.00 2.25 O ATOM 59 CB GLN A 224 -15.922 -2.813 0.101 1.00 3.26 C ATOM 60 CG GLN A 224 -16.540 -3.596 -1.040 1.00 3.94 C ATOM 61 CD GLN A 224 -16.110 -5.046 -1.042 1.00 4.73 C ATOM 62 OE1 GLN A 224 -15.105 -5.409 -1.644 1.00 5.34 O ATOM 63 NE2 GLN A 224 -16.864 -5.885 -0.352 1.00 5.07 N ATOM 0 H GLN A 224 -14.839 -0.419 -0.469 1.00 2.41 H new ATOM 0 HA GLN A 224 -17.568 -1.472 0.057 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -14.848 -2.732 -0.067 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -16.059 -3.371 1.027 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -17.626 -3.542 -0.968 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -16.260 -3.135 -1.987 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -17.692 -5.544 0.135 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -16.617 -6.874 -0.307 1.00 5.07 H new ATOM 72 N PRO A 225 -16.892 -1.526 2.709 1.00 3.00 N ATOM 73 CA PRO A 225 -16.592 -1.183 4.093 1.00 2.88 C ATOM 74 C PRO A 225 -15.082 -1.115 4.295 1.00 2.43 C ATOM 75 O PRO A 225 -14.362 -2.018 3.858 1.00 2.62 O ATOM 76 CB PRO A 225 -17.221 -2.324 4.904 1.00 3.40 C ATOM 77 CG PRO A 225 -17.672 -3.337 3.898 1.00 4.04 C ATOM 78 CD PRO A 225 -17.910 -2.577 2.627 1.00 3.72 C ATOM 0 HA PRO A 225 -16.982 -0.211 4.394 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -16.499 -2.756 5.597 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -18.060 -1.964 5.500 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -16.916 -4.109 3.756 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -18.581 -3.838 4.229 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -17.779 -3.204 1.745 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -18.918 -2.166 2.579 1.00 3.72 H new ATOM 86 N SER A 226 -14.637 -0.030 4.938 1.00 2.20 N ATOM 87 CA SER A 226 -13.234 0.393 4.956 1.00 2.08 C ATOM 88 C SER A 226 -12.256 -0.780 4.961 1.00 1.74 C ATOM 89 O SER A 226 -12.409 -1.733 5.734 1.00 1.98 O ATOM 90 CB SER A 226 -12.989 1.283 6.172 1.00 2.61 C ATOM 91 OG SER A 226 -13.932 2.344 6.227 1.00 3.08 O ATOM 0 H SER A 226 -15.251 0.588 5.468 1.00 2.20 H new ATOM 0 HA SER A 226 -13.051 0.947 4.035 1.00 2.08 H new ATOM 0 HB2 SER A 226 -13.054 0.687 7.082 1.00 2.61 H new ATOM 0 HB3 SER A 226 -11.979 1.691 6.130 1.00 2.61 H new ATOM 0 HG SER A 226 -13.755 2.898 7.015 1.00 3.08 H new ATOM 97 N ILE A 227 -11.238 -0.684 4.109 1.00 1.37 N ATOM 98 CA ILE A 227 -10.351 -1.806 3.851 1.00 1.12 C ATOM 99 C ILE A 227 -9.340 -2.000 4.984 1.00 1.27 C ATOM 100 O ILE A 227 -8.152 -1.716 4.842 1.00 1.47 O ATOM 101 CB ILE A 227 -9.596 -1.681 2.497 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.558 -1.427 1.324 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.801 -2.939 2.236 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.854 0.040 1.091 1.00 1.47 C ATOM 0 H ILE A 227 -11.010 0.162 3.587 1.00 1.37 H new ATOM 0 HA ILE A 227 -10.997 -2.682 3.794 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.926 -0.824 2.571 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -10.131 -1.852 0.416 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.494 -1.953 1.512 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -8.274 -2.846 1.286 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.079 -3.086 3.039 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.476 -3.794 2.194 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -11.539 0.144 0.249 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.311 0.465 1.985 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.926 0.568 0.871 1.00 1.47 H new ATOM 116 N ASN A 228 -9.837 -2.440 6.127 1.00 1.52 N ATOM 117 CA ASN A 228 -8.989 -2.920 7.206 1.00 1.82 C ATOM 118 C ASN A 228 -9.697 -4.062 7.911 1.00 1.80 C ATOM 119 O ASN A 228 -10.625 -3.822 8.678 1.00 2.07 O ATOM 120 CB ASN A 228 -8.692 -1.800 8.216 1.00 2.42 C ATOM 121 CG ASN A 228 -7.244 -1.342 8.206 1.00 3.09 C ATOM 122 OD1 ASN A 228 -6.688 -0.981 9.244 1.00 3.44 O ATOM 123 ND2 ASN A 228 -6.626 -1.319 7.035 1.00 3.83 N ATOM 0 H ASN A 228 -10.835 -2.475 6.334 1.00 1.52 H new ATOM 0 HA ASN A 228 -8.042 -3.259 6.786 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -9.336 -0.947 8.000 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -8.948 -2.147 9.217 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -5.661 -0.995 6.974 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -7.115 -1.625 6.194 1.00 3.83 H new ATOM 130 N THR A 229 -9.230 -5.283 7.626 1.00 1.66 N ATOM 131 CA THR A 229 -9.758 -6.558 8.167 1.00 1.67 C ATOM 132 C THR A 229 -9.494 -7.721 7.192 1.00 1.68 C ATOM 133 O THR A 229 -8.910 -8.729 7.585 1.00 2.22 O ATOM 134 CB THR A 229 -11.276 -6.581 8.521 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.037 -5.693 7.687 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.506 -6.252 9.993 1.00 1.88 C ATOM 0 H THR A 229 -8.445 -5.424 6.990 1.00 1.66 H new ATOM 0 HA THR A 229 -9.215 -6.668 9.106 1.00 1.67 H new ATOM 0 HB THR A 229 -11.627 -7.596 8.333 1.00 1.80 H new ATOM 0 HG1 THR A 229 -12.010 -4.788 8.062 1.00 1.91 H new ATOM 0 HG21 THR A 229 -12.574 -6.276 10.209 1.00 1.88 H new ATOM 0 HG22 THR A 229 -10.994 -6.987 10.614 1.00 1.88 H new ATOM 0 HG23 THR A 229 -11.115 -5.258 10.209 1.00 1.88 H new ATOM 144 N PRO A 230 -9.896 -7.601 5.902 1.00 1.34 N ATOM 145 CA PRO A 230 -9.860 -8.711 4.956 1.00 1.46 C ATOM 146 C PRO A 230 -8.552 -8.813 4.184 1.00 1.44 C ATOM 147 O PRO A 230 -7.809 -7.839 4.063 1.00 1.32 O ATOM 148 CB PRO A 230 -10.996 -8.383 3.988 1.00 1.46 C ATOM 149 CG PRO A 230 -11.260 -6.911 4.122 1.00 1.48 C ATOM 150 CD PRO A 230 -10.395 -6.386 5.238 1.00 1.35 C ATOM 0 HA PRO A 230 -9.956 -9.666 5.473 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.718 -8.636 2.965 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -11.889 -8.960 4.228 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -11.033 -6.396 3.189 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.313 -6.730 4.338 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.577 -5.775 4.856 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -10.965 -5.761 5.925 1.00 1.35 H new ATOM 158 N LEU A 231 -8.272 -10.010 3.683 1.00 1.78 N ATOM 159 CA LEU A 231 -7.181 -10.220 2.743 1.00 1.82 C ATOM 160 C LEU A 231 -7.595 -9.662 1.374 1.00 1.52 C ATOM 161 O LEU A 231 -8.757 -9.284 1.210 1.00 1.52 O ATOM 162 CB LEU A 231 -6.850 -11.714 2.670 1.00 2.34 C ATOM 163 CG LEU A 231 -6.277 -12.307 3.959 1.00 2.79 C ATOM 164 CD1 LEU A 231 -5.952 -13.778 3.773 1.00 3.30 C ATOM 165 CD2 LEU A 231 -5.037 -11.541 4.394 1.00 3.42 C ATOM 0 H LEU A 231 -8.792 -10.856 3.916 1.00 1.78 H new ATOM 0 HA LEU A 231 -6.283 -9.697 3.071 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -7.756 -12.260 2.406 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -6.135 -11.875 1.863 1.00 2.34 H new ATOM 0 HG LEU A 231 -7.031 -12.217 4.741 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -5.546 -14.181 4.701 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -6.860 -14.321 3.508 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -5.217 -13.890 2.976 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -4.644 -11.977 5.312 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -4.280 -11.599 3.612 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -5.297 -10.497 4.570 1.00 3.42 H new ATOM 177 N PRO A 232 -6.686 -9.617 0.367 1.00 1.40 N ATOM 178 CA PRO A 232 -6.940 -8.877 -0.884 1.00 1.28 C ATOM 179 C PRO A 232 -8.270 -9.266 -1.536 1.00 1.55 C ATOM 180 O PRO A 232 -8.522 -10.443 -1.798 1.00 1.84 O ATOM 181 CB PRO A 232 -5.764 -9.274 -1.781 1.00 1.40 C ATOM 182 CG PRO A 232 -4.686 -9.702 -0.844 1.00 1.45 C ATOM 183 CD PRO A 232 -5.372 -10.285 0.354 1.00 1.54 C ATOM 0 HA PRO A 232 -7.016 -7.804 -0.711 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.041 -10.082 -2.459 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.440 -8.437 -2.399 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -4.033 -10.438 -1.314 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.060 -8.856 -0.560 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -5.474 -11.367 0.269 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -4.814 -10.088 1.270 1.00 1.54 H new ATOM 191 N ASN A 233 -9.114 -8.267 -1.807 1.00 1.58 N ATOM 192 CA ASN A 233 -10.486 -8.541 -2.224 1.00 2.01 C ATOM 193 C ASN A 233 -10.741 -8.117 -3.673 1.00 1.76 C ATOM 194 O ASN A 233 -10.411 -8.877 -4.582 1.00 2.31 O ATOM 195 CB ASN A 233 -11.483 -7.890 -1.260 1.00 2.67 C ATOM 196 CG ASN A 233 -12.806 -8.632 -1.210 1.00 3.38 C ATOM 197 OD1 ASN A 233 -12.958 -9.588 -0.448 1.00 3.96 O ATOM 198 ND2 ASN A 233 -13.776 -8.187 -1.987 1.00 3.82 N ATOM 0 H ASN A 233 -8.874 -7.277 -1.746 1.00 1.58 H new ATOM 0 HA ASN A 233 -10.635 -9.620 -2.186 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -11.050 -7.857 -0.260 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -11.659 -6.858 -1.565 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -14.691 -8.638 -1.970 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -13.611 -7.392 -2.605 1.00 3.82 H new ATOM 205 N LEU A 234 -11.285 -6.909 -3.921 1.00 1.61 N ATOM 206 CA LEU A 234 -11.644 -6.547 -5.308 1.00 1.90 C ATOM 207 C LEU A 234 -12.166 -5.120 -5.431 1.00 1.69 C ATOM 208 O LEU A 234 -11.490 -4.259 -6.000 1.00 1.91 O ATOM 209 CB LEU A 234 -12.681 -7.532 -5.864 1.00 2.77 C ATOM 210 CG LEU A 234 -12.868 -7.520 -7.388 1.00 3.77 C ATOM 211 CD1 LEU A 234 -13.864 -6.451 -7.816 1.00 4.30 C ATOM 212 CD2 LEU A 234 -11.530 -7.299 -8.081 1.00 4.49 C ATOM 0 H LEU A 234 -11.479 -6.197 -3.217 1.00 1.61 H new ATOM 0 HA LEU A 234 -10.727 -6.605 -5.894 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -12.396 -8.539 -5.560 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -13.643 -7.319 -5.398 1.00 2.77 H new ATOM 0 HG LEU A 234 -13.268 -8.490 -7.684 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -13.974 -6.469 -8.900 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -14.830 -6.646 -7.350 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -13.503 -5.471 -7.504 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -11.676 -7.293 -9.161 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -11.111 -6.344 -7.766 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -10.844 -8.103 -7.813 1.00 4.49 H new ATOM 224 N GLN A 235 -13.368 -4.870 -4.911 1.00 1.58 N ATOM 225 CA GLN A 235 -13.962 -3.535 -4.964 1.00 1.78 C ATOM 226 C GLN A 235 -13.030 -2.616 -4.261 1.00 1.59 C ATOM 227 O GLN A 235 -12.766 -1.493 -4.665 1.00 1.97 O ATOM 228 CB GLN A 235 -15.282 -3.493 -4.210 1.00 2.17 C ATOM 229 CG GLN A 235 -16.118 -2.251 -4.495 1.00 2.56 C ATOM 230 CD GLN A 235 -16.600 -2.167 -5.936 1.00 3.18 C ATOM 231 OE1 GLN A 235 -15.949 -2.654 -6.861 1.00 3.71 O ATOM 232 NE2 GLN A 235 -17.743 -1.536 -6.134 1.00 3.72 N ATOM 0 H GLN A 235 -13.947 -5.572 -4.450 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.133 -3.259 -6.004 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -15.864 -4.378 -4.468 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -15.080 -3.545 -3.140 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.981 -2.242 -3.829 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -15.528 -1.364 -4.264 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -18.254 -1.146 -5.342 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -18.115 -1.439 -7.079 1.00 3.72 H new ATOM 241 N ASN A 236 -12.533 -3.178 -3.199 1.00 1.40 N ATOM 242 CA ASN A 236 -11.633 -2.533 -2.303 1.00 1.65 C ATOM 243 C ASN A 236 -10.308 -3.265 -2.404 1.00 1.69 C ATOM 244 O ASN A 236 -9.565 -3.407 -1.437 1.00 2.36 O ATOM 245 CB ASN A 236 -12.230 -2.614 -0.902 1.00 2.09 C ATOM 246 CG ASN A 236 -12.294 -4.037 -0.360 1.00 2.95 C ATOM 247 OD1 ASN A 236 -12.379 -5.003 -1.120 1.00 3.67 O ATOM 248 ND2 ASN A 236 -12.271 -4.176 0.957 1.00 3.34 N ATOM 0 H ASN A 236 -12.755 -4.136 -2.927 1.00 1.40 H new ATOM 0 HA ASN A 236 -11.473 -1.481 -2.540 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -11.636 -2.000 -0.225 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -13.235 -2.192 -0.917 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -12.324 -5.106 1.373 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -12.200 -3.353 1.556 1.00 3.34 H new ATOM 255 N GLY A 237 -10.038 -3.716 -3.622 1.00 1.32 N ATOM 256 CA GLY A 237 -8.960 -4.635 -3.870 1.00 1.67 C ATOM 257 C GLY A 237 -7.638 -3.931 -3.938 1.00 1.38 C ATOM 258 O GLY A 237 -6.752 -4.197 -3.132 1.00 1.70 O ATOM 0 H GLY A 237 -10.563 -3.451 -4.455 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -8.933 -5.386 -3.080 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.140 -5.163 -4.806 1.00 1.67 H new ATOM 262 N PRO A 238 -7.445 -3.054 -4.928 1.00 0.90 N ATOM 263 CA PRO A 238 -6.306 -2.201 -4.982 1.00 0.65 C ATOM 264 C PRO A 238 -6.636 -0.788 -4.616 1.00 0.50 C ATOM 265 O PRO A 238 -7.670 -0.228 -4.993 1.00 0.76 O ATOM 266 CB PRO A 238 -5.910 -2.240 -6.443 1.00 0.65 C ATOM 267 CG PRO A 238 -7.161 -2.636 -7.169 1.00 0.96 C ATOM 268 CD PRO A 238 -8.244 -2.850 -6.127 1.00 0.88 C ATOM 0 HA PRO A 238 -5.533 -2.527 -4.286 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.547 -1.269 -6.781 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.108 -2.958 -6.616 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -7.456 -1.860 -7.875 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.998 -3.547 -7.745 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.906 -1.989 -6.039 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.871 -3.712 -6.356 1.00 0.88 H new ATOM 276 N PHE A 239 -5.745 -0.223 -3.899 1.00 0.37 N ATOM 277 CA PHE A 239 -5.767 1.190 -3.680 1.00 0.28 C ATOM 278 C PHE A 239 -4.412 1.747 -3.982 1.00 0.27 C ATOM 279 O PHE A 239 -3.510 1.021 -4.383 1.00 0.51 O ATOM 280 CB PHE A 239 -6.211 1.543 -2.257 1.00 0.34 C ATOM 281 CG PHE A 239 -5.900 0.492 -1.245 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.602 0.163 -0.892 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.940 -0.161 -0.640 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.362 -0.809 0.050 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.708 -1.131 0.302 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.416 -1.457 0.649 1.00 0.73 C ATOM 0 H PHE A 239 -4.976 -0.714 -3.443 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.502 1.639 -4.348 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.730 2.474 -1.958 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.286 1.725 -2.258 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.773 0.673 -1.360 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.956 0.091 -0.908 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.347 -1.063 0.319 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.538 -1.638 0.771 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.231 -2.220 1.390 1.00 0.73 H new ATOM 296 N TYR A 240 -4.279 3.025 -3.818 1.00 0.16 N ATOM 297 CA TYR A 240 -3.006 3.656 -3.976 1.00 0.21 C ATOM 298 C TYR A 240 -2.545 4.068 -2.610 1.00 0.21 C ATOM 299 O TYR A 240 -3.352 4.202 -1.704 1.00 0.36 O ATOM 300 CB TYR A 240 -3.095 4.838 -4.940 1.00 0.25 C ATOM 301 CG TYR A 240 -3.443 4.411 -6.349 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.895 3.253 -6.886 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.310 5.153 -7.140 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.199 2.845 -8.167 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.622 4.748 -8.428 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.063 3.592 -8.933 1.00 0.45 C ATOM 307 OH TYR A 240 -4.361 3.184 -10.213 1.00 0.59 O ATOM 0 H TYR A 240 -5.042 3.656 -3.573 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.282 2.971 -4.417 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.847 5.540 -4.580 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -2.143 5.368 -4.949 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.218 2.661 -6.288 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.747 6.058 -6.746 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.761 1.943 -8.567 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.299 5.334 -9.033 1.00 0.46 H new ATOM 0 HH TYR A 240 -4.986 3.818 -10.621 1.00 0.59 H new ATOM 317 N ALA A 241 -1.271 4.204 -2.430 1.00 0.17 N ATOM 318 CA ALA A 241 -0.759 4.541 -1.132 1.00 0.19 C ATOM 319 C ALA A 241 0.401 5.510 -1.279 1.00 0.15 C ATOM 320 O ALA A 241 1.437 5.174 -1.859 1.00 0.19 O ATOM 321 CB ALA A 241 -0.325 3.256 -0.443 1.00 0.35 C ATOM 0 H ALA A 241 -0.566 4.089 -3.158 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.523 5.028 -0.527 1.00 0.19 H new ATOM 0 HB1 ALA A 241 0.068 3.489 0.547 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.181 2.588 -0.346 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.449 2.769 -1.036 1.00 0.35 H new ATOM 327 N ARG A 242 0.219 6.709 -0.772 1.00 0.16 N ATOM 328 CA ARG A 242 1.252 7.718 -0.804 1.00 0.16 C ATOM 329 C ARG A 242 2.204 7.498 0.341 1.00 0.14 C ATOM 330 O ARG A 242 1.872 7.716 1.501 1.00 0.23 O ATOM 331 CB ARG A 242 0.674 9.131 -0.711 1.00 0.29 C ATOM 332 CG ARG A 242 1.747 10.215 -0.648 1.00 0.33 C ATOM 333 CD ARG A 242 2.338 10.505 -2.021 1.00 0.79 C ATOM 334 NE ARG A 242 1.317 10.901 -2.996 1.00 1.19 N ATOM 335 CZ ARG A 242 1.570 11.169 -4.280 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.818 11.131 -4.740 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.573 11.489 -5.100 1.00 2.05 N ATOM 0 H ARG A 242 -0.648 7.011 -0.327 1.00 0.16 H new ATOM 0 HA ARG A 242 1.773 7.629 -1.757 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.033 9.312 -1.574 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.043 9.201 0.175 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.317 11.128 -0.237 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.540 9.902 0.031 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.081 11.298 -1.934 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.859 9.619 -2.384 1.00 0.79 H new ATOM 0 HE ARG A 242 0.352 10.977 -2.673 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.586 10.896 -4.111 1.00 1.90 H new ATOM 0 HH12 ARG A 242 3.006 11.336 -5.721 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.384 11.530 -4.748 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.765 11.694 -6.081 1.00 2.05 H new ATOM 351 N VAL A 243 3.374 7.044 0.016 1.00 0.10 N ATOM 352 CA VAL A 243 4.399 6.886 1.002 1.00 0.14 C ATOM 353 C VAL A 243 5.035 8.234 1.299 1.00 0.11 C ATOM 354 O VAL A 243 5.563 8.884 0.401 1.00 0.15 O ATOM 355 CB VAL A 243 5.454 5.876 0.528 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.863 6.137 -0.906 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.655 5.905 1.445 1.00 0.32 C ATOM 0 H VAL A 243 3.645 6.775 -0.930 1.00 0.10 H new ATOM 0 HA VAL A 243 3.954 6.498 1.918 1.00 0.14 H new ATOM 0 HB VAL A 243 5.011 4.881 0.565 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.611 5.405 -1.210 1.00 0.23 H new ATOM 0 HG12 VAL A 243 4.990 6.055 -1.554 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.283 7.140 -0.988 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.395 5.184 1.098 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.091 6.904 1.442 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.346 5.648 2.458 1.00 0.32 H new ATOM 367 N ILE A 244 4.951 8.678 2.543 1.00 0.13 N ATOM 368 CA ILE A 244 5.561 9.940 2.906 1.00 0.15 C ATOM 369 C ILE A 244 6.797 9.714 3.760 1.00 0.14 C ATOM 370 O ILE A 244 7.457 10.671 4.152 1.00 0.20 O ATOM 371 CB ILE A 244 4.614 10.925 3.631 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.163 10.399 5.004 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.426 11.241 2.741 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.205 9.236 4.938 1.00 0.76 C ATOM 0 H ILE A 244 4.475 8.192 3.303 1.00 0.13 H new ATOM 0 HA ILE A 244 5.828 10.406 1.958 1.00 0.15 H new ATOM 0 HB ILE A 244 5.167 11.844 3.825 1.00 0.25 H new ATOM 0 HG12 ILE A 244 5.043 10.098 5.572 1.00 0.37 H new ATOM 0 HG13 ILE A 244 3.691 11.213 5.555 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.761 11.935 3.255 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.776 11.694 1.813 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.886 10.322 2.515 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.938 8.927 5.949 1.00 0.76 H new ATOM 0 HD12 ILE A 244 2.306 9.536 4.400 1.00 0.76 H new ATOM 0 HD13 ILE A 244 3.679 8.404 4.418 1.00 0.76 H new ATOM 386 N GLN A 245 7.085 8.441 4.050 1.00 0.12 N ATOM 387 CA GLN A 245 8.343 8.030 4.682 1.00 0.14 C ATOM 388 C GLN A 245 8.623 6.561 4.401 1.00 0.14 C ATOM 389 O GLN A 245 7.957 5.680 4.947 1.00 0.17 O ATOM 390 CB GLN A 245 8.307 8.227 6.197 1.00 0.21 C ATOM 391 CG GLN A 245 8.276 9.674 6.624 1.00 0.33 C ATOM 392 CD GLN A 245 8.108 9.831 8.120 1.00 0.54 C ATOM 393 OE1 GLN A 245 7.503 10.791 8.599 1.00 1.19 O ATOM 394 NE2 GLN A 245 8.660 8.890 8.873 1.00 1.06 N ATOM 0 H GLN A 245 6.452 7.666 3.853 1.00 0.12 H new ATOM 0 HA GLN A 245 9.128 8.656 4.259 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.429 7.721 6.599 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.181 7.747 6.637 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.199 10.162 6.312 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.458 10.183 6.114 1.00 0.33 H new ATOM 0 HE21 GLN A 245 9.153 8.111 8.436 1.00 1.06 H new ATOM 0 HE22 GLN A 245 8.592 8.945 9.889 1.00 1.06 H new ATOM 403 N LYS A 246 9.554 6.296 3.503 1.00 0.15 N ATOM 404 CA LYS A 246 10.025 4.938 3.278 1.00 0.16 C ATOM 405 C LYS A 246 11.536 4.920 3.120 1.00 0.22 C ATOM 406 O LYS A 246 12.163 5.968 2.945 1.00 0.29 O ATOM 407 CB LYS A 246 9.371 4.311 2.048 1.00 0.18 C ATOM 408 CG LYS A 246 8.839 2.901 2.282 1.00 0.20 C ATOM 409 CD LYS A 246 7.548 2.916 3.094 1.00 0.29 C ATOM 410 CE LYS A 246 6.456 2.084 2.441 1.00 0.28 C ATOM 411 NZ LYS A 246 5.956 2.694 1.180 1.00 0.36 N ATOM 0 H LYS A 246 10.000 7.002 2.917 1.00 0.15 H new ATOM 0 HA LYS A 246 9.745 4.347 4.150 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.550 4.949 1.720 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.098 4.284 1.236 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.661 2.415 1.323 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.591 2.310 2.804 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.745 2.534 4.096 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.202 3.944 3.207 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.840 1.086 2.231 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.627 1.966 3.138 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 5.007 3.089 1.338 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.602 3.452 0.881 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.909 1.967 0.438 1.00 0.36 H new ATOM 425 N ARG A 247 12.106 3.734 3.185 1.00 0.27 N ATOM 426 CA ARG A 247 13.493 3.528 2.817 1.00 0.37 C ATOM 427 C ARG A 247 13.487 2.959 1.414 1.00 0.27 C ATOM 428 O ARG A 247 12.434 2.536 0.949 1.00 0.21 O ATOM 429 CB ARG A 247 14.194 2.554 3.776 1.00 0.55 C ATOM 430 CG ARG A 247 13.798 1.095 3.575 1.00 0.69 C ATOM 431 CD ARG A 247 14.460 0.184 4.593 1.00 0.72 C ATOM 432 NE ARG A 247 13.698 -1.044 4.810 1.00 1.24 N ATOM 433 CZ ARG A 247 14.123 -2.261 4.464 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.319 -2.421 3.904 1.00 1.33 N ATOM 435 NH2 ARG A 247 13.354 -3.319 4.687 1.00 2.10 N ATOM 0 H ARG A 247 11.624 2.889 3.493 1.00 0.27 H new ATOM 0 HA ARG A 247 14.040 4.469 2.870 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.273 2.648 3.649 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.967 2.844 4.802 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.715 0.999 3.652 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.076 0.779 2.570 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.465 -0.069 4.254 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.567 0.715 5.539 1.00 0.72 H new ATOM 0 HE ARG A 247 12.783 -0.966 5.254 1.00 1.24 H new ATOM 0 HH11 ARG A 247 15.916 -1.611 3.737 1.00 1.33 H new ATOM 0 HH12 ARG A 247 15.639 -3.353 3.642 1.00 1.33 H new ATOM 0 HH21 ARG A 247 12.439 -3.202 5.122 1.00 2.10 H new ATOM 0 HH22 ARG A 247 13.678 -4.250 4.423 1.00 2.10 H new ATOM 449 N VAL A 248 14.618 2.970 0.730 1.00 0.32 N ATOM 450 CA VAL A 248 14.718 2.325 -0.556 1.00 0.31 C ATOM 451 C VAL A 248 15.334 0.939 -0.382 1.00 0.26 C ATOM 452 O VAL A 248 16.557 0.784 -0.341 1.00 0.30 O ATOM 453 CB VAL A 248 15.567 3.166 -1.526 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.704 2.457 -2.854 1.00 1.12 C ATOM 455 CG2 VAL A 248 14.958 4.549 -1.707 1.00 1.18 C ATOM 0 H VAL A 248 15.476 3.420 1.048 1.00 0.32 H new ATOM 0 HA VAL A 248 13.718 2.228 -0.980 1.00 0.31 H new ATOM 0 HB VAL A 248 16.563 3.289 -1.101 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.307 3.064 -3.530 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.188 1.492 -2.703 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.716 2.303 -3.288 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.572 5.129 -2.396 1.00 1.18 H new ATOM 0 HG22 VAL A 248 13.950 4.453 -2.111 1.00 1.18 H new ATOM 0 HG23 VAL A 248 14.915 5.057 -0.743 1.00 1.18 H new ATOM 465 N PRO A 249 14.483 -0.078 -0.200 1.00 0.20 N ATOM 466 CA PRO A 249 14.885 -1.453 -0.028 1.00 0.20 C ATOM 467 C PRO A 249 14.746 -2.278 -1.292 1.00 0.27 C ATOM 468 O PRO A 249 14.010 -1.922 -2.202 1.00 0.34 O ATOM 469 CB PRO A 249 13.900 -1.954 1.027 1.00 0.21 C ATOM 470 CG PRO A 249 12.778 -0.952 1.049 1.00 0.23 C ATOM 471 CD PRO A 249 13.047 0.021 -0.065 1.00 0.22 C ATOM 0 HA PRO A 249 15.937 -1.537 0.244 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.531 -2.949 0.776 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.378 -2.028 2.004 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.816 -1.445 0.909 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.736 -0.439 2.010 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.529 -0.255 -0.984 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.728 1.032 0.189 1.00 0.22 H new ATOM 479 N ASN A 250 15.454 -3.385 -1.347 1.00 0.31 N ATOM 480 CA ASN A 250 15.336 -4.272 -2.477 1.00 0.39 C ATOM 481 C ASN A 250 14.311 -5.361 -2.247 1.00 0.36 C ATOM 482 O ASN A 250 14.040 -5.760 -1.120 1.00 0.35 O ATOM 483 CB ASN A 250 16.683 -4.886 -2.862 1.00 0.51 C ATOM 484 CG ASN A 250 17.472 -5.484 -1.701 1.00 1.13 C ATOM 485 OD1 ASN A 250 18.697 -5.581 -1.760 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.793 -5.882 -0.640 1.00 1.56 N ATOM 0 H ASN A 250 16.111 -3.688 -0.628 1.00 0.31 H new ATOM 0 HA ASN A 250 14.990 -3.658 -3.308 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.512 -5.665 -3.605 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.292 -4.119 -3.339 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.284 -6.282 0.159 1.00 1.56 H new ATOM 0 HD22 ASN A 250 15.777 -5.789 -0.620 1.00 1.56 H new ATOM 493 N ALA A 251 13.767 -5.843 -3.348 1.00 0.43 N ATOM 494 CA ALA A 251 12.799 -6.938 -3.346 1.00 0.48 C ATOM 495 C ALA A 251 13.424 -8.240 -2.837 1.00 0.53 C ATOM 496 O ALA A 251 12.727 -9.223 -2.601 1.00 0.60 O ATOM 497 CB ALA A 251 12.230 -7.138 -4.741 1.00 0.59 C ATOM 0 H ALA A 251 13.982 -5.487 -4.279 1.00 0.43 H new ATOM 0 HA ALA A 251 11.992 -6.668 -2.665 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.510 -7.956 -4.726 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.733 -6.224 -5.066 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.038 -7.378 -5.433 1.00 0.59 H new ATOM 503 N TYR A 252 14.748 -8.245 -2.705 1.00 0.54 N ATOM 504 CA TYR A 252 15.458 -9.377 -2.122 1.00 0.65 C ATOM 505 C TYR A 252 15.308 -9.352 -0.607 1.00 0.60 C ATOM 506 O TYR A 252 15.595 -10.328 0.080 1.00 0.69 O ATOM 507 CB TYR A 252 16.943 -9.333 -2.497 1.00 0.77 C ATOM 508 CG TYR A 252 17.202 -9.345 -3.988 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.258 -8.160 -4.711 1.00 2.46 C ATOM 510 CD2 TYR A 252 17.391 -10.539 -4.672 1.00 1.89 C ATOM 511 CE1 TYR A 252 17.492 -8.167 -6.072 1.00 3.46 C ATOM 512 CE2 TYR A 252 17.628 -10.552 -6.034 1.00 2.83 C ATOM 513 CZ TYR A 252 17.678 -9.364 -6.729 1.00 3.61 C ATOM 514 OH TYR A 252 17.912 -9.370 -8.087 1.00 4.61 O ATOM 0 H TYR A 252 15.351 -7.475 -2.995 1.00 0.54 H new ATOM 0 HA TYR A 252 15.028 -10.298 -2.515 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.389 -8.436 -2.068 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.447 -10.187 -2.044 1.00 0.77 H new ATOM 0 HD1 TYR A 252 17.116 -7.219 -4.201 1.00 2.46 H new ATOM 0 HD2 TYR A 252 17.352 -11.473 -4.131 1.00 1.89 H new ATOM 0 HE1 TYR A 252 17.529 -7.237 -6.620 1.00 3.46 H new ATOM 0 HE2 TYR A 252 17.773 -11.489 -6.551 1.00 2.83 H new ATOM 0 HH TYR A 252 18.023 -10.293 -8.396 1.00 4.61 H new ATOM 524 N ASP A 253 14.858 -8.214 -0.103 1.00 0.50 N ATOM 525 CA ASP A 253 14.623 -8.020 1.314 1.00 0.51 C ATOM 526 C ASP A 253 13.196 -8.375 1.620 1.00 0.48 C ATOM 527 O ASP A 253 12.325 -7.501 1.623 1.00 0.43 O ATOM 528 CB ASP A 253 14.870 -6.566 1.681 1.00 0.49 C ATOM 529 CG ASP A 253 14.861 -6.319 3.177 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.831 -6.735 3.845 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.903 -5.709 3.691 1.00 1.32 O ATOM 0 H ASP A 253 14.645 -7.395 -0.672 1.00 0.50 H new ATOM 0 HA ASP A 253 15.298 -8.653 1.889 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.831 -6.253 1.273 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.107 -5.945 1.212 1.00 0.49 H new ATOM 536 N LYS A 254 12.955 -9.654 1.874 1.00 0.55 N ATOM 537 CA LYS A 254 11.617 -10.179 1.831 1.00 0.55 C ATOM 538 C LYS A 254 11.093 -9.921 0.437 1.00 0.49 C ATOM 539 O LYS A 254 11.331 -10.710 -0.476 1.00 0.54 O ATOM 540 CB LYS A 254 10.724 -9.546 2.907 1.00 0.57 C ATOM 541 CG LYS A 254 11.026 -10.052 4.307 1.00 0.73 C ATOM 542 CD LYS A 254 11.239 -8.922 5.301 1.00 1.32 C ATOM 543 CE LYS A 254 12.521 -8.155 5.022 1.00 1.62 C ATOM 544 NZ LYS A 254 12.898 -7.278 6.159 1.00 2.40 N ATOM 0 H LYS A 254 13.674 -10.338 2.111 1.00 0.55 H new ATOM 0 HA LYS A 254 11.615 -11.247 2.047 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.849 -8.463 2.884 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.680 -9.751 2.671 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.204 -10.681 4.648 1.00 0.73 H new ATOM 0 HG3 LYS A 254 11.917 -10.679 4.279 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.391 -8.238 5.260 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.272 -9.329 6.312 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.329 -8.859 4.822 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.395 -7.551 4.123 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.395 -6.438 5.800 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.041 -6.982 6.668 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.523 -7.799 6.807 1.00 2.40 H new ATOM 558 N THR A 255 10.408 -8.811 0.271 1.00 0.42 N ATOM 559 CA THR A 255 10.025 -8.355 -1.048 1.00 0.39 C ATOM 560 C THR A 255 10.144 -6.839 -1.205 1.00 0.31 C ATOM 561 O THR A 255 9.965 -6.326 -2.293 1.00 0.32 O ATOM 562 CB THR A 255 8.602 -8.829 -1.393 1.00 0.47 C ATOM 563 OG1 THR A 255 7.742 -8.655 -0.255 1.00 0.49 O ATOM 564 CG2 THR A 255 8.612 -10.290 -1.803 1.00 0.60 C ATOM 0 H THR A 255 10.104 -8.206 1.034 1.00 0.42 H new ATOM 0 HA THR A 255 10.727 -8.800 -1.753 1.00 0.39 H new ATOM 0 HB THR A 255 8.230 -8.233 -2.226 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.837 -8.956 -0.480 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.597 -10.607 -2.043 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.249 -10.418 -2.678 1.00 0.60 H new ATOM 0 HG23 THR A 255 8.997 -10.896 -0.982 1.00 0.60 H new ATOM 572 N ALA A 256 10.565 -6.178 -0.130 1.00 0.26 N ATOM 573 CA ALA A 256 10.348 -4.736 0.119 1.00 0.21 C ATOM 574 C ALA A 256 10.241 -3.800 -1.107 1.00 0.17 C ATOM 575 O ALA A 256 11.072 -3.814 -2.017 1.00 0.21 O ATOM 576 CB ALA A 256 11.430 -4.237 1.053 1.00 0.23 C ATOM 0 H ALA A 256 11.083 -6.635 0.621 1.00 0.26 H new ATOM 0 HA ALA A 256 9.349 -4.686 0.553 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.283 -3.174 1.246 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.381 -4.786 1.993 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.406 -4.390 0.594 1.00 0.23 H new ATOM 582 N LEU A 257 9.189 -2.954 -1.060 1.00 0.14 N ATOM 583 CA LEU A 257 8.956 -1.863 -2.025 1.00 0.14 C ATOM 584 C LEU A 257 10.087 -0.847 -2.005 1.00 0.13 C ATOM 585 O LEU A 257 10.281 -0.165 -1.003 1.00 0.15 O ATOM 586 CB LEU A 257 7.669 -1.083 -1.672 1.00 0.15 C ATOM 587 CG LEU A 257 6.337 -1.692 -2.083 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.384 -2.177 -3.520 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.944 -2.792 -1.127 1.00 0.21 C ATOM 0 H LEU A 257 8.469 -3.013 -0.340 1.00 0.14 H new ATOM 0 HA LEU A 257 8.880 -2.336 -3.004 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.652 -0.936 -0.592 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.740 -0.095 -2.127 1.00 0.15 H new ATOM 0 HG LEU A 257 5.568 -0.921 -2.031 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.420 -2.608 -3.790 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.604 -1.338 -4.180 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.162 -2.934 -3.623 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.989 -3.218 -1.435 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.707 -3.570 -1.134 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.852 -2.384 -0.121 1.00 0.21 H new ATOM 601 N ALA A 258 10.792 -0.701 -3.115 1.00 0.14 N ATOM 602 CA ALA A 258 11.849 0.297 -3.198 1.00 0.16 C ATOM 603 C ALA A 258 11.296 1.666 -3.569 1.00 0.17 C ATOM 604 O ALA A 258 11.177 1.999 -4.744 1.00 0.24 O ATOM 605 CB ALA A 258 12.866 -0.155 -4.219 1.00 0.22 C ATOM 0 H ALA A 258 10.655 -1.253 -3.962 1.00 0.14 H new ATOM 0 HA ALA A 258 12.320 0.394 -2.220 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.663 0.585 -4.290 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.286 -1.113 -3.914 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.383 -0.263 -5.190 1.00 0.22 H new ATOM 611 N LEU A 259 10.986 2.469 -2.563 1.00 0.13 N ATOM 612 CA LEU A 259 10.399 3.785 -2.786 1.00 0.15 C ATOM 613 C LEU A 259 10.602 4.662 -1.561 1.00 0.15 C ATOM 614 O LEU A 259 10.890 4.153 -0.488 1.00 0.18 O ATOM 615 CB LEU A 259 8.901 3.668 -3.152 1.00 0.20 C ATOM 616 CG LEU A 259 8.163 2.436 -2.609 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.151 2.435 -1.092 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.741 2.391 -3.145 1.00 0.55 C ATOM 0 H LEU A 259 11.131 2.233 -1.581 1.00 0.13 H new ATOM 0 HA LEU A 259 10.905 4.254 -3.630 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.390 4.560 -2.790 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.813 3.668 -4.238 1.00 0.20 H new ATOM 0 HG LEU A 259 8.696 1.547 -2.947 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.622 1.552 -0.733 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.175 2.421 -0.720 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.647 3.332 -0.732 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.231 1.512 -2.751 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.207 3.289 -2.836 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.764 2.339 -4.234 1.00 0.55 H new ATOM 630 N GLU A 260 10.444 5.963 -1.711 1.00 0.18 N ATOM 631 CA GLU A 260 10.590 6.867 -0.585 1.00 0.24 C ATOM 632 C GLU A 260 9.365 7.761 -0.474 1.00 0.20 C ATOM 633 O GLU A 260 8.395 7.595 -1.200 1.00 0.21 O ATOM 634 CB GLU A 260 11.841 7.739 -0.726 1.00 0.39 C ATOM 635 CG GLU A 260 11.609 8.990 -1.557 1.00 0.52 C ATOM 636 CD GLU A 260 12.472 9.032 -2.799 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.085 8.417 -3.812 1.00 1.74 O ATOM 638 OE2 GLU A 260 13.537 9.685 -2.773 1.00 1.27 O ATOM 0 H GLU A 260 10.216 6.416 -2.596 1.00 0.18 H new ATOM 0 HA GLU A 260 10.691 6.261 0.316 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.187 8.029 0.266 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.637 7.150 -1.182 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.559 9.040 -1.847 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.813 9.870 -0.947 1.00 0.52 H new ATOM 645 N VAL A 261 9.424 8.681 0.462 1.00 0.33 N ATOM 646 CA VAL A 261 8.421 9.723 0.612 1.00 0.32 C ATOM 647 C VAL A 261 8.211 10.498 -0.687 1.00 0.22 C ATOM 648 O VAL A 261 9.165 10.924 -1.344 1.00 0.28 O ATOM 649 CB VAL A 261 8.830 10.686 1.729 1.00 0.43 C ATOM 650 CG1 VAL A 261 10.257 10.439 2.108 1.00 0.92 C ATOM 651 CG2 VAL A 261 8.571 12.151 1.383 1.00 0.93 C ATOM 0 H VAL A 261 10.175 8.732 1.150 1.00 0.33 H new ATOM 0 HA VAL A 261 7.478 9.240 0.870 1.00 0.32 H new ATOM 0 HB VAL A 261 8.196 10.484 2.592 1.00 0.43 H new ATOM 0 HG11 VAL A 261 10.546 11.126 2.903 1.00 0.92 H new ATOM 0 HG12 VAL A 261 10.368 9.412 2.457 1.00 0.92 H new ATOM 0 HG13 VAL A 261 10.897 10.599 1.240 1.00 0.92 H new ATOM 0 HG21 VAL A 261 8.882 12.782 2.215 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.138 12.420 0.492 1.00 0.93 H new ATOM 0 HG23 VAL A 261 7.508 12.298 1.194 1.00 0.93 H new ATOM 661 N GLY A 262 6.958 10.660 -1.052 1.00 0.17 N ATOM 662 CA GLY A 262 6.618 11.454 -2.199 1.00 0.20 C ATOM 663 C GLY A 262 6.195 10.581 -3.343 1.00 0.22 C ATOM 664 O GLY A 262 5.768 11.059 -4.393 1.00 0.31 O ATOM 0 H GLY A 262 6.161 10.249 -0.566 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.813 12.143 -1.944 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.475 12.060 -2.495 1.00 0.20 H new ATOM 668 N GLU A 263 6.289 9.284 -3.117 1.00 0.16 N ATOM 669 CA GLU A 263 5.993 8.310 -4.127 1.00 0.18 C ATOM 670 C GLU A 263 4.629 7.700 -3.874 1.00 0.15 C ATOM 671 O GLU A 263 4.040 7.890 -2.808 1.00 0.19 O ATOM 672 CB GLU A 263 7.073 7.242 -4.094 1.00 0.23 C ATOM 673 CG GLU A 263 8.470 7.827 -4.163 1.00 0.26 C ATOM 674 CD GLU A 263 8.918 8.081 -5.586 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.341 7.120 -6.261 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.825 9.236 -6.051 1.00 1.04 O ATOM 0 H GLU A 263 6.574 8.885 -2.223 1.00 0.16 H new ATOM 0 HA GLU A 263 5.974 8.780 -5.111 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.973 6.656 -3.180 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.928 6.557 -4.929 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.498 8.762 -3.604 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.171 7.146 -3.680 1.00 0.26 H new ATOM 683 N LEU A 264 4.132 6.973 -4.845 1.00 0.14 N ATOM 684 CA LEU A 264 2.857 6.307 -4.708 1.00 0.13 C ATOM 685 C LEU A 264 3.020 4.851 -5.067 1.00 0.15 C ATOM 686 O LEU A 264 3.940 4.486 -5.796 1.00 0.24 O ATOM 687 CB LEU A 264 1.817 6.968 -5.616 1.00 0.15 C ATOM 688 CG LEU A 264 0.361 6.567 -5.366 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.171 7.254 -4.122 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.499 6.899 -6.575 1.00 0.18 C ATOM 0 H LEU A 264 4.593 6.826 -5.743 1.00 0.14 H new ATOM 0 HA LEU A 264 2.511 6.388 -3.678 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.900 8.049 -5.505 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.066 6.734 -6.651 1.00 0.15 H new ATOM 0 HG LEU A 264 0.321 5.490 -5.206 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.207 6.958 -3.958 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.430 6.963 -3.260 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.118 8.335 -4.253 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.531 6.607 -6.379 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.456 7.971 -6.769 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.128 6.358 -7.445 1.00 0.18 H new ATOM 702 N VAL A 265 2.138 4.030 -4.552 1.00 0.14 N ATOM 703 CA VAL A 265 2.218 2.612 -4.769 1.00 0.15 C ATOM 704 C VAL A 265 0.809 2.091 -4.943 1.00 0.15 C ATOM 705 O VAL A 265 -0.150 2.769 -4.573 1.00 0.27 O ATOM 706 CB VAL A 265 2.908 1.909 -3.572 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.939 1.738 -2.423 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.477 0.566 -3.967 1.00 0.41 C ATOM 0 H VAL A 265 1.351 4.326 -3.975 1.00 0.14 H new ATOM 0 HA VAL A 265 2.814 2.404 -5.658 1.00 0.15 H new ATOM 0 HB VAL A 265 3.733 2.547 -3.253 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.443 1.243 -1.593 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.582 2.716 -2.099 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.093 1.132 -2.748 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.953 0.104 -3.102 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.674 -0.078 -4.327 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.215 0.702 -4.757 1.00 0.41 H new ATOM 718 N LYS A 266 0.673 0.920 -5.502 1.00 0.13 N ATOM 719 CA LYS A 266 -0.621 0.298 -5.581 1.00 0.15 C ATOM 720 C LYS A 266 -0.579 -0.930 -4.704 1.00 0.13 C ATOM 721 O LYS A 266 -0.057 -1.971 -5.099 1.00 0.14 O ATOM 722 CB LYS A 266 -0.973 -0.053 -7.041 1.00 0.24 C ATOM 723 CG LYS A 266 -2.385 -0.583 -7.248 1.00 0.85 C ATOM 724 CD LYS A 266 -2.473 -2.085 -7.035 1.00 0.49 C ATOM 725 CE LYS A 266 -2.568 -2.846 -8.352 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.339 -2.719 -9.188 1.00 1.32 N ATOM 0 H LYS A 266 1.437 0.379 -5.908 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.401 0.976 -5.235 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.840 0.837 -7.656 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.264 -0.798 -7.402 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -3.064 -0.080 -6.560 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.717 -0.341 -8.258 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.596 -2.424 -6.483 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.344 -2.313 -6.421 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -2.752 -3.900 -8.144 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -3.425 -2.478 -8.917 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -1.554 -2.999 -10.166 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -1.011 -1.732 -9.175 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -0.594 -3.337 -8.807 1.00 1.32 H new ATOM 740 N VAL A 267 -1.090 -0.798 -3.495 1.00 0.16 N ATOM 741 CA VAL A 267 -1.151 -1.917 -2.592 1.00 0.16 C ATOM 742 C VAL A 267 -2.193 -2.920 -3.096 1.00 0.17 C ATOM 743 O VAL A 267 -3.397 -2.720 -2.935 1.00 0.25 O ATOM 744 CB VAL A 267 -1.494 -1.469 -1.155 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.120 -2.533 -0.165 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.799 -0.170 -0.795 1.00 0.63 C ATOM 0 H VAL A 267 -1.467 0.073 -3.122 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.169 -2.388 -2.563 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.571 -1.304 -1.116 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.370 -2.197 0.842 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.669 -3.448 -0.389 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.049 -2.728 -0.227 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.064 0.114 0.223 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.281 -0.303 -0.865 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.113 0.614 -1.484 1.00 0.63 H new ATOM 756 N THR A 268 -1.713 -3.970 -3.747 1.00 0.15 N ATOM 757 CA THR A 268 -2.564 -4.998 -4.313 1.00 0.19 C ATOM 758 C THR A 268 -3.086 -5.913 -3.216 1.00 0.22 C ATOM 759 O THR A 268 -4.025 -6.688 -3.411 1.00 0.34 O ATOM 760 CB THR A 268 -1.769 -5.843 -5.334 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.625 -6.800 -5.976 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.612 -6.561 -4.640 1.00 0.29 C ATOM 0 H THR A 268 -0.717 -4.130 -3.896 1.00 0.15 H new ATOM 0 HA THR A 268 -3.403 -4.512 -4.812 1.00 0.19 H new ATOM 0 HB THR A 268 -1.367 -5.172 -6.093 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.104 -7.324 -6.620 1.00 0.32 H new ATOM 0 HG21 THR A 268 -0.060 -7.153 -5.371 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.055 -5.826 -4.190 1.00 0.29 H new ATOM 0 HG23 THR A 268 -1.005 -7.218 -3.864 1.00 0.29 H new ATOM 770 N LYS A 269 -2.465 -5.814 -2.056 1.00 0.18 N ATOM 771 CA LYS A 269 -2.706 -6.702 -0.984 1.00 0.20 C ATOM 772 C LYS A 269 -3.340 -5.922 0.152 1.00 0.22 C ATOM 773 O LYS A 269 -2.753 -4.975 0.638 1.00 0.35 O ATOM 774 CB LYS A 269 -1.342 -7.288 -0.620 1.00 0.23 C ATOM 775 CG LYS A 269 -1.322 -8.246 0.538 1.00 0.40 C ATOM 776 CD LYS A 269 -1.423 -7.499 1.834 1.00 1.55 C ATOM 777 CE LYS A 269 -1.937 -8.379 2.932 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.072 -9.567 3.149 1.00 2.84 N ATOM 0 H LYS A 269 -1.771 -5.095 -1.850 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.394 -7.512 -1.227 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.944 -7.800 -1.496 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.664 -6.465 -0.396 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.150 -8.950 0.451 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.403 -8.831 0.519 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.443 -7.108 2.108 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.086 -6.642 1.712 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.001 -7.804 3.856 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.948 -8.707 2.690 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -1.596 -10.429 2.895 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.222 -9.491 2.554 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -0.792 -9.614 4.149 1.00 2.84 H new ATOM 792 N ILE A 270 -4.540 -6.291 0.549 1.00 0.33 N ATOM 793 CA ILE A 270 -5.190 -5.609 1.654 1.00 0.39 C ATOM 794 C ILE A 270 -5.172 -6.507 2.889 1.00 0.55 C ATOM 795 O ILE A 270 -5.027 -7.725 2.764 1.00 0.73 O ATOM 796 CB ILE A 270 -6.637 -5.184 1.300 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.581 -6.390 1.233 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.645 -4.434 -0.029 1.00 1.09 C ATOM 799 CD1 ILE A 270 -8.989 -6.048 0.791 1.00 1.90 C ATOM 0 H ILE A 270 -5.081 -7.048 0.131 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.636 -4.694 1.865 1.00 0.39 H new ATOM 0 HB ILE A 270 -6.998 -4.527 2.091 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.164 -7.126 0.546 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.624 -6.860 2.216 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.665 -4.137 -0.273 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.018 -3.546 0.051 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.258 -5.082 -0.815 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.594 -6.955 0.769 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.427 -5.336 1.490 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.961 -5.607 -0.205 1.00 1.90 H new ATOM 811 N ASN A 271 -5.276 -5.917 4.076 1.00 0.60 N ATOM 812 CA ASN A 271 -5.194 -6.694 5.313 1.00 0.82 C ATOM 813 C ASN A 271 -5.906 -5.987 6.468 1.00 0.70 C ATOM 814 O ASN A 271 -6.633 -5.014 6.261 1.00 0.87 O ATOM 815 CB ASN A 271 -3.729 -6.947 5.675 1.00 1.17 C ATOM 816 CG ASN A 271 -3.036 -5.710 6.203 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.868 -5.540 7.406 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.667 -4.818 5.309 1.00 1.88 N ATOM 0 H ASN A 271 -5.416 -4.915 4.210 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.696 -7.647 5.145 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.675 -7.736 6.425 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.198 -7.308 4.794 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.224 -3.949 5.608 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.824 -4.995 4.317 1.00 1.88 H new ATOM 825 N MET A 272 -5.682 -6.477 7.684 1.00 0.81 N ATOM 826 CA MET A 272 -6.379 -5.966 8.865 1.00 0.97 C ATOM 827 C MET A 272 -5.572 -4.907 9.609 1.00 1.02 C ATOM 828 O MET A 272 -6.126 -3.934 10.113 1.00 1.22 O ATOM 829 CB MET A 272 -6.699 -7.112 9.825 1.00 1.24 C ATOM 830 CG MET A 272 -5.469 -7.880 10.277 1.00 1.30 C ATOM 831 SD MET A 272 -5.791 -8.946 11.697 1.00 2.03 S ATOM 832 CE MET A 272 -4.167 -9.653 11.965 1.00 2.52 C ATOM 0 H MET A 272 -5.022 -7.229 7.880 1.00 0.81 H new ATOM 0 HA MET A 272 -7.297 -5.499 8.509 1.00 0.97 H new ATOM 0 HB2 MET A 272 -7.210 -6.711 10.700 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.390 -7.801 9.340 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.101 -8.487 9.450 1.00 1.30 H new ATOM 0 HG3 MET A 272 -4.679 -7.174 10.531 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.203 -10.337 12.813 1.00 2.52 H new ATOM 0 HE2 MET A 272 -3.855 -10.197 11.073 1.00 2.52 H new ATOM 0 HE3 MET A 272 -3.453 -8.856 12.172 1.00 2.52 H new ATOM 842 N SER A 273 -4.269 -5.094 9.669 1.00 0.93 N ATOM 843 CA SER A 273 -3.418 -4.281 10.530 1.00 1.02 C ATOM 844 C SER A 273 -2.881 -3.056 9.804 1.00 0.91 C ATOM 845 O SER A 273 -2.111 -2.279 10.368 1.00 1.14 O ATOM 846 CB SER A 273 -2.253 -5.129 11.043 1.00 1.14 C ATOM 847 OG SER A 273 -2.714 -6.351 11.594 1.00 1.50 O ATOM 0 H SER A 273 -3.770 -5.803 9.132 1.00 0.93 H new ATOM 0 HA SER A 273 -4.024 -3.931 11.366 1.00 1.02 H new ATOM 0 HB2 SER A 273 -1.561 -5.333 10.226 1.00 1.14 H new ATOM 0 HB3 SER A 273 -1.699 -4.572 11.799 1.00 1.14 H new ATOM 0 HG SER A 273 -1.950 -6.875 11.913 1.00 1.50 H new ATOM 853 N GLY A 274 -3.288 -2.880 8.555 1.00 0.64 N ATOM 854 CA GLY A 274 -2.752 -1.797 7.760 1.00 0.61 C ATOM 855 C GLY A 274 -1.363 -2.118 7.254 1.00 0.49 C ATOM 856 O GLY A 274 -0.693 -1.276 6.670 1.00 0.57 O ATOM 0 H GLY A 274 -3.976 -3.465 8.081 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.413 -1.602 6.915 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.722 -0.886 8.357 1.00 0.61 H new ATOM 860 N GLN A 275 -0.940 -3.358 7.461 1.00 0.41 N ATOM 861 CA GLN A 275 0.399 -3.772 7.084 1.00 0.40 C ATOM 862 C GLN A 275 0.306 -4.652 5.852 1.00 0.32 C ATOM 863 O GLN A 275 0.270 -5.879 5.945 1.00 0.41 O ATOM 864 CB GLN A 275 1.067 -4.517 8.242 1.00 0.56 C ATOM 865 CG GLN A 275 2.547 -4.773 8.038 1.00 0.69 C ATOM 866 CD GLN A 275 3.151 -5.567 9.175 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.177 -6.797 9.143 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.633 -4.874 10.196 1.00 0.81 N ATOM 0 H GLN A 275 -1.506 -4.092 7.887 1.00 0.41 H new ATOM 0 HA GLN A 275 1.010 -2.899 6.856 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.931 -3.941 9.158 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.560 -5.471 8.387 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.695 -5.311 7.102 1.00 0.69 H new ATOM 0 HG3 GLN A 275 3.069 -3.821 7.944 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.593 -3.855 10.185 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.044 -5.360 10.993 1.00 0.81 H new ATOM 877 N TRP A 276 0.218 -4.011 4.702 1.00 0.22 N ATOM 878 CA TRP A 276 -0.075 -4.706 3.468 1.00 0.17 C ATOM 879 C TRP A 276 1.136 -4.811 2.571 1.00 0.15 C ATOM 880 O TRP A 276 2.227 -4.360 2.915 1.00 0.19 O ATOM 881 CB TRP A 276 -1.186 -4.003 2.698 1.00 0.18 C ATOM 882 CG TRP A 276 -1.463 -2.590 3.117 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.573 -1.554 3.164 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.729 -2.049 3.503 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.207 -0.409 3.579 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.533 -0.688 3.789 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.011 -2.589 3.641 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.571 0.140 4.202 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.038 -1.766 4.051 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.815 -0.414 4.327 1.00 0.47 C ATOM 0 H TRP A 276 0.346 -3.004 4.599 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.391 -5.710 3.751 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.929 -4.006 1.639 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.103 -4.583 2.806 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.475 -1.625 2.912 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.764 0.500 3.710 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.194 -3.632 3.430 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.401 1.185 4.417 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.032 -2.173 4.161 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.641 0.205 4.645 1.00 0.47 H new ATOM 901 N GLU A 277 0.914 -5.379 1.396 1.00 0.12 N ATOM 902 CA GLU A 277 1.958 -5.568 0.435 1.00 0.12 C ATOM 903 C GLU A 277 1.766 -4.586 -0.689 1.00 0.11 C ATOM 904 O GLU A 277 0.704 -4.542 -1.281 1.00 0.12 O ATOM 905 CB GLU A 277 1.911 -6.975 -0.143 1.00 0.14 C ATOM 906 CG GLU A 277 2.592 -8.047 0.691 1.00 0.19 C ATOM 907 CD GLU A 277 1.831 -8.456 1.932 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.818 -7.669 2.898 1.00 2.07 O ATOM 909 OE2 GLU A 277 1.234 -9.541 1.953 1.00 1.55 O ATOM 0 H GLU A 277 0.001 -5.718 1.094 1.00 0.12 H new ATOM 0 HA GLU A 277 2.918 -5.417 0.928 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.867 -7.257 -0.284 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.373 -6.959 -1.130 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.748 -8.928 0.069 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.578 -7.687 0.987 1.00 0.19 H new ATOM 916 N GLY A 278 2.787 -3.837 -1.005 1.00 0.13 N ATOM 917 CA GLY A 278 2.672 -2.871 -2.062 1.00 0.12 C ATOM 918 C GLY A 278 3.159 -3.431 -3.353 1.00 0.12 C ATOM 919 O GLY A 278 3.890 -4.420 -3.379 1.00 0.15 O ATOM 0 H GLY A 278 3.699 -3.876 -0.551 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.632 -2.562 -2.165 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.246 -1.980 -1.809 1.00 0.12 H new ATOM 923 N GLU A 279 2.745 -2.815 -4.416 1.00 0.11 N ATOM 924 CA GLU A 279 3.276 -3.119 -5.708 1.00 0.14 C ATOM 925 C GLU A 279 3.520 -1.801 -6.415 1.00 0.17 C ATOM 926 O GLU A 279 2.589 -1.022 -6.621 1.00 0.20 O ATOM 927 CB GLU A 279 2.283 -3.969 -6.490 1.00 0.20 C ATOM 928 CG GLU A 279 2.806 -4.449 -7.824 1.00 0.31 C ATOM 929 CD GLU A 279 1.697 -4.993 -8.692 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.017 -4.188 -9.364 1.00 2.07 O ATOM 931 OE2 GLU A 279 1.482 -6.220 -8.693 1.00 1.27 O ATOM 0 H GLU A 279 2.030 -2.088 -4.413 1.00 0.11 H new ATOM 0 HA GLU A 279 4.205 -3.684 -5.626 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.006 -4.834 -5.887 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.374 -3.390 -6.654 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.301 -3.626 -8.339 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.557 -5.223 -7.664 1.00 0.31 H new ATOM 938 N CYS A 280 4.759 -1.529 -6.758 1.00 0.20 N ATOM 939 CA CYS A 280 5.085 -0.267 -7.388 1.00 0.27 C ATOM 940 C CYS A 280 5.762 -0.482 -8.710 1.00 0.29 C ATOM 941 O CYS A 280 6.983 -0.632 -8.760 1.00 0.33 O ATOM 942 CB CYS A 280 6.025 0.550 -6.511 1.00 0.39 C ATOM 943 SG CYS A 280 5.988 2.324 -6.832 1.00 0.51 S ATOM 0 H CYS A 280 5.551 -2.156 -6.614 1.00 0.20 H new ATOM 0 HA CYS A 280 4.146 0.266 -7.533 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.770 0.377 -5.466 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.043 0.188 -6.655 1.00 0.39 H new ATOM 0 HG CYS A 280 4.974 2.855 -6.216 1.00 0.51 H new ATOM 949 N ASN A 281 4.973 -0.479 -9.771 1.00 0.37 N ATOM 950 CA ASN A 281 5.493 -0.524 -11.129 1.00 0.49 C ATOM 951 C ASN A 281 6.503 -1.656 -11.275 1.00 0.45 C ATOM 952 O ASN A 281 7.488 -1.544 -12.001 1.00 0.53 O ATOM 953 CB ASN A 281 6.127 0.823 -11.491 1.00 0.63 C ATOM 954 CG ASN A 281 5.216 2.004 -11.183 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.690 3.100 -10.889 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.903 1.793 -11.238 1.00 0.97 N ATOM 0 H ASN A 281 3.955 -0.445 -9.717 1.00 0.37 H new ATOM 0 HA ASN A 281 4.670 -0.716 -11.817 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.062 0.938 -10.943 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.376 0.829 -12.552 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.255 2.554 -11.033 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.545 0.871 -11.485 1.00 0.97 H new ATOM 963 N GLY A 282 6.222 -2.759 -10.595 1.00 0.37 N ATOM 964 CA GLY A 282 7.078 -3.916 -10.664 1.00 0.39 C ATOM 965 C GLY A 282 7.911 -4.165 -9.425 1.00 0.34 C ATOM 966 O GLY A 282 8.653 -5.147 -9.372 1.00 0.46 O ATOM 0 H GLY A 282 5.407 -2.869 -9.992 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.462 -4.795 -10.853 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.746 -3.805 -11.518 1.00 0.39 H new ATOM 970 N LYS A 283 7.812 -3.306 -8.420 1.00 0.25 N ATOM 971 CA LYS A 283 8.282 -3.685 -7.103 1.00 0.23 C ATOM 972 C LYS A 283 7.126 -4.239 -6.310 1.00 0.14 C ATOM 973 O LYS A 283 6.008 -3.753 -6.412 1.00 0.17 O ATOM 974 CB LYS A 283 8.898 -2.521 -6.327 1.00 0.33 C ATOM 975 CG LYS A 283 9.991 -1.807 -7.068 1.00 0.74 C ATOM 976 CD LYS A 283 9.744 -0.311 -7.075 1.00 0.61 C ATOM 977 CE LYS A 283 9.122 0.198 -5.795 1.00 1.28 C ATOM 978 NZ LYS A 283 8.864 1.662 -5.877 1.00 1.93 N ATOM 0 H LYS A 283 7.421 -2.367 -8.490 1.00 0.25 H new ATOM 0 HA LYS A 283 9.065 -4.430 -7.245 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.113 -1.806 -6.080 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.296 -2.896 -5.384 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.953 -2.020 -6.601 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.045 -2.177 -8.092 1.00 0.74 H new ATOM 0 HD2 LYS A 283 10.689 0.206 -7.242 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.092 -0.061 -7.912 1.00 0.61 H new ATOM 0 HE2 LYS A 283 8.188 -0.330 -5.605 1.00 1.28 H new ATOM 0 HE3 LYS A 283 9.784 -0.012 -4.955 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 9.353 2.145 -5.096 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.217 2.026 -6.785 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 7.842 1.839 -5.807 1.00 1.93 H new ATOM 992 N ARG A 284 7.402 -5.255 -5.549 1.00 0.16 N ATOM 993 CA ARG A 284 6.451 -5.802 -4.617 1.00 0.12 C ATOM 994 C ARG A 284 7.026 -5.555 -3.227 1.00 0.13 C ATOM 995 O ARG A 284 8.084 -4.955 -3.122 1.00 0.20 O ATOM 996 CB ARG A 284 6.239 -7.297 -4.898 1.00 0.18 C ATOM 997 CG ARG A 284 5.209 -7.985 -4.009 1.00 0.21 C ATOM 998 CD ARG A 284 3.798 -7.499 -4.276 1.00 0.26 C ATOM 999 NE ARG A 284 2.837 -8.169 -3.402 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.852 -8.951 -3.841 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.726 -9.196 -5.138 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.005 -9.503 -2.980 1.00 0.67 N ATOM 0 H ARG A 284 8.302 -5.735 -5.555 1.00 0.16 H new ATOM 0 HA ARG A 284 5.471 -5.332 -4.706 1.00 0.12 H new ATOM 0 HB2 ARG A 284 5.935 -7.415 -5.938 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.194 -7.811 -4.785 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.256 -9.062 -4.170 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.460 -7.808 -2.963 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.746 -6.421 -4.121 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.537 -7.684 -5.318 1.00 0.26 H new ATOM 0 HE ARG A 284 2.926 -8.029 -2.396 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.384 -8.786 -5.801 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.971 -9.795 -5.473 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.108 -9.329 -1.980 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.251 -10.101 -3.318 1.00 0.67 H new ATOM 1016 N GLY A 285 6.298 -5.884 -2.182 1.00 0.14 N ATOM 1017 CA GLY A 285 6.879 -5.910 -0.856 1.00 0.18 C ATOM 1018 C GLY A 285 5.807 -5.767 0.179 1.00 0.14 C ATOM 1019 O GLY A 285 4.649 -5.919 -0.150 1.00 0.15 O ATOM 0 H GLY A 285 5.310 -6.135 -2.223 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.418 -6.845 -0.705 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.605 -5.103 -0.753 1.00 0.18 H new ATOM 1023 N HIS A 286 6.164 -5.474 1.413 1.00 0.15 N ATOM 1024 CA HIS A 286 5.163 -5.201 2.433 1.00 0.13 C ATOM 1025 C HIS A 286 5.641 -4.128 3.397 1.00 0.15 C ATOM 1026 O HIS A 286 6.754 -4.184 3.916 1.00 0.20 O ATOM 1027 CB HIS A 286 4.727 -6.482 3.169 1.00 0.18 C ATOM 1028 CG HIS A 286 5.829 -7.364 3.681 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.640 -8.692 3.988 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.123 -7.106 3.951 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.770 -9.205 4.430 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.695 -8.262 4.420 1.00 0.52 N ATOM 0 H HIS A 286 7.130 -5.418 1.735 1.00 0.15 H new ATOM 0 HA HIS A 286 4.278 -4.816 1.927 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.099 -6.195 4.012 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.105 -7.069 2.494 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.761 -9.200 3.889 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.622 -6.157 3.821 1.00 0.67 H new ATOM 0 HE1 HIS A 286 6.916 -10.227 4.748 1.00 0.65 H new ATOM 1041 N PHE A 287 4.792 -3.135 3.595 1.00 0.14 N ATOM 1042 CA PHE A 287 5.106 -1.993 4.442 1.00 0.17 C ATOM 1043 C PHE A 287 3.856 -1.527 5.187 1.00 0.20 C ATOM 1044 O PHE A 287 2.769 -1.480 4.614 1.00 0.29 O ATOM 1045 CB PHE A 287 5.703 -0.849 3.609 1.00 0.20 C ATOM 1046 CG PHE A 287 7.151 -1.038 3.266 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.123 -0.953 4.250 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.544 -1.287 1.964 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.458 -1.115 3.941 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.879 -1.447 1.648 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.836 -1.362 2.639 1.00 0.30 C ATOM 0 H PHE A 287 3.864 -3.096 3.174 1.00 0.14 H new ATOM 0 HA PHE A 287 5.851 -2.299 5.177 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.131 -0.748 2.686 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.589 0.085 4.159 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.832 -0.758 5.272 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.799 -1.357 1.185 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.205 -1.048 4.718 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.174 -1.638 0.627 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.880 -1.489 2.394 1.00 0.30 H new ATOM 1061 N PRO A 288 4.005 -1.187 6.479 1.00 0.22 N ATOM 1062 CA PRO A 288 2.870 -0.867 7.355 1.00 0.26 C ATOM 1063 C PRO A 288 2.211 0.483 7.066 1.00 0.24 C ATOM 1064 O PRO A 288 2.752 1.328 6.346 1.00 0.28 O ATOM 1065 CB PRO A 288 3.496 -0.859 8.748 1.00 0.33 C ATOM 1066 CG PRO A 288 4.926 -0.512 8.520 1.00 0.54 C ATOM 1067 CD PRO A 288 5.295 -1.105 7.191 1.00 0.32 C ATOM 0 HA PRO A 288 2.063 -1.586 7.219 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.010 -0.129 9.396 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.397 -1.831 9.232 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.068 0.569 8.517 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.555 -0.914 9.314 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.009 -0.478 6.657 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.754 -2.087 7.304 1.00 0.32 H new ATOM 1075 N PHE A 289 1.044 0.669 7.676 1.00 0.31 N ATOM 1076 CA PHE A 289 0.209 1.850 7.481 1.00 0.37 C ATOM 1077 C PHE A 289 0.789 3.068 8.203 1.00 0.33 C ATOM 1078 O PHE A 289 0.445 4.210 7.900 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.194 1.558 8.030 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.248 2.539 7.608 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.513 3.673 8.359 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -2.981 2.318 6.459 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -3.490 4.566 7.966 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -3.956 3.203 6.060 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.213 4.331 6.813 1.00 0.50 C ATOM 0 H PHE A 289 0.646 -0.006 8.329 1.00 0.31 H new ATOM 0 HA PHE A 289 0.168 2.075 6.415 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.495 0.561 7.709 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.147 1.541 9.119 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.949 3.860 9.261 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -2.786 1.438 5.865 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -3.688 5.447 8.559 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -4.520 3.015 5.158 1.00 0.81 H new ATOM 0 HZ PHE A 289 -4.977 5.028 6.501 1.00 0.50 H new ATOM 1095 N THR A 290 1.693 2.811 9.135 1.00 0.33 N ATOM 1096 CA THR A 290 2.131 3.804 10.096 1.00 0.41 C ATOM 1097 C THR A 290 2.935 4.959 9.475 1.00 0.38 C ATOM 1098 O THR A 290 3.318 5.896 10.173 1.00 0.57 O ATOM 1099 CB THR A 290 2.958 3.114 11.190 1.00 0.51 C ATOM 1100 OG1 THR A 290 3.989 2.317 10.592 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.077 2.226 12.059 1.00 0.61 C ATOM 0 H THR A 290 2.144 1.903 9.244 1.00 0.33 H new ATOM 0 HA THR A 290 1.233 4.258 10.515 1.00 0.41 H new ATOM 0 HB THR A 290 3.404 3.886 11.816 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.514 1.881 11.295 1.00 0.50 H new ATOM 0 HG21 THR A 290 2.686 1.748 12.826 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.305 2.832 12.533 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.608 1.461 11.440 1.00 0.61 H new ATOM 1109 N HIS A 291 3.179 4.911 8.168 1.00 0.25 N ATOM 1110 CA HIS A 291 3.920 5.981 7.500 1.00 0.26 C ATOM 1111 C HIS A 291 3.561 6.036 6.023 1.00 0.23 C ATOM 1112 O HIS A 291 4.413 6.266 5.157 1.00 0.26 O ATOM 1113 CB HIS A 291 5.445 5.860 7.710 1.00 0.35 C ATOM 1114 CG HIS A 291 6.001 4.466 7.685 1.00 0.40 C ATOM 1115 ND1 HIS A 291 6.821 3.997 6.684 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.889 3.457 8.575 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.184 2.757 6.961 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.633 2.405 8.107 1.00 0.88 N ATOM 0 H HIS A 291 2.879 4.153 7.555 1.00 0.25 H new ATOM 0 HA HIS A 291 3.622 6.923 7.961 1.00 0.26 H new ATOM 0 HB2 HIS A 291 5.946 6.444 6.938 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.698 6.314 8.668 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.104 4.524 5.858 1.00 1.01 H new ATOM 0 HD2 HIS A 291 5.316 3.475 9.491 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.824 2.136 6.352 1.00 0.72 H new ATOM 1127 N VAL A 292 2.278 5.819 5.754 1.00 0.21 N ATOM 1128 CA VAL A 292 1.716 5.955 4.418 1.00 0.21 C ATOM 1129 C VAL A 292 0.388 6.711 4.466 1.00 0.24 C ATOM 1130 O VAL A 292 -0.162 6.952 5.544 1.00 0.32 O ATOM 1131 CB VAL A 292 1.478 4.581 3.781 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.797 3.877 3.541 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.596 3.745 4.671 1.00 0.51 C ATOM 0 H VAL A 292 1.597 5.543 6.461 1.00 0.21 H new ATOM 0 HA VAL A 292 2.434 6.513 3.817 1.00 0.21 H new ATOM 0 HB VAL A 292 0.979 4.721 2.822 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.612 2.903 3.088 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.413 4.477 2.872 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.316 3.744 4.490 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.433 2.771 4.210 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.078 3.612 5.639 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.362 4.246 4.808 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.105 7.096 3.297 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.379 7.792 3.175 1.00 0.24 C ATOM 1145 C ARG A 293 -2.218 7.154 2.089 1.00 0.24 C ATOM 1146 O ARG A 293 -1.915 7.277 0.921 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.138 9.253 2.829 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.240 9.960 3.827 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.941 10.176 5.157 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.106 10.919 6.098 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.456 10.389 7.184 1.00 0.61 C ATOM 1152 NH1 ARG A 293 0.318 9.094 7.453 1.00 0.69 N ATOM 1153 NH2 ARG A 293 1.180 11.154 7.988 1.00 0.74 N ATOM 0 H ARG A 293 0.366 6.935 2.407 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.907 7.724 4.126 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.690 9.316 1.837 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.096 9.771 2.780 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.664 9.372 3.983 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.071 10.922 3.419 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.873 10.717 4.993 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.205 9.211 5.589 1.00 0.45 H new ATOM 0 HE ARG A 293 0.058 11.908 5.911 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.222 8.497 6.826 1.00 0.69 H new ATOM 0 HH12 ARG A 293 0.752 8.697 8.287 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.305 12.144 7.774 1.00 0.74 H new ATOM 0 HH22 ARG A 293 1.612 10.753 8.820 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.282 6.502 2.468 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.006 5.652 1.547 1.00 0.26 C ATOM 1169 C LEU A 294 -4.946 6.453 0.664 1.00 0.27 C ATOM 1170 O LEU A 294 -5.641 7.371 1.098 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.745 4.606 2.362 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.060 3.250 1.728 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -6.063 3.380 0.601 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.800 2.572 1.251 1.00 1.31 C ATOM 0 H LEU A 294 -3.673 6.539 3.410 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.309 5.162 0.867 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.160 4.419 3.263 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.690 5.046 2.681 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.512 2.626 2.499 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.262 2.396 0.175 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -6.991 3.803 0.987 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.660 4.035 -0.171 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -4.051 1.610 0.804 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.308 3.200 0.508 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -3.129 2.416 2.096 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.919 6.069 -0.588 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.660 6.686 -1.652 1.00 0.31 C ATOM 1188 C LEU A 295 -6.808 5.799 -2.090 1.00 0.36 C ATOM 1189 O LEU A 295 -6.848 5.330 -3.230 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.746 6.953 -2.820 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.045 8.296 -2.807 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.885 8.293 -1.825 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.590 8.611 -4.208 1.00 0.39 C ATOM 0 H LEU A 295 -4.353 5.282 -0.904 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.070 7.628 -1.289 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.990 6.169 -2.854 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.327 6.875 -3.739 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.733 9.072 -2.473 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.398 9.268 -1.834 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.258 8.083 -0.822 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.166 7.526 -2.113 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.083 9.576 -4.218 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.904 7.837 -4.550 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.454 8.649 -4.871 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.672 5.524 -1.136 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.772 4.566 -1.269 1.00 0.66 C ATOM 1207 C ASP A 296 -9.412 4.574 -2.653 1.00 0.86 C ATOM 1208 O ASP A 296 -9.713 5.631 -3.215 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.843 4.844 -0.213 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.340 4.647 1.203 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.726 5.587 1.755 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.560 3.557 1.769 1.00 1.97 O ATOM 0 H ASP A 296 -7.636 5.968 -0.218 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.338 3.577 -1.120 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.201 5.867 -0.327 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.695 4.187 -0.385 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.597 3.373 -3.179 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.248 3.150 -4.464 1.00 0.87 C ATOM 1219 C GLN A 297 -11.641 3.787 -4.484 1.00 1.60 C ATOM 1220 O GLN A 297 -12.456 3.487 -3.585 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.329 1.636 -4.781 1.00 1.01 C ATOM 1222 CG GLN A 297 -11.200 0.824 -3.833 1.00 2.20 C ATOM 1223 CD GLN A 297 -10.749 0.861 -2.388 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -9.929 0.057 -1.959 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -11.298 1.795 -1.627 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.913 4.595 -5.399 1.00 2.17 O ATOM 0 H GLN A 297 -9.296 2.513 -2.720 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.647 3.627 -5.238 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -10.710 1.513 -5.795 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.320 1.223 -4.767 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -12.224 1.194 -3.892 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -11.216 -0.212 -4.170 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -11.977 2.444 -2.026 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -11.042 1.866 -0.642 1.00 3.77 H new TER 1235 GLN A 297