USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 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 60:sc= 0.942 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -0.836 K(o=0.11,f=-0.87) USER MOD Set 2.1: A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 273 SER OG : rot 180:sc= -0.615 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= -0.78 K(o=-0.78,f=-0.26) USER MOD Single : A 226 SER OG : rot -78:sc= 0.19 USER MOD Single : A 228 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.032) USER MOD Single : A 229 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 233 ASN : amide:sc= -0.0276 K(o=-0.028,f=-0.79) USER MOD Single : A 235 GLN : amide:sc= -4.53! C(o=-4.5!,f=-4.5!) USER MOD Single : A 236 ASN : amide:sc= 0.843 K(o=0.84,f=-0.42) 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) USER MOD Single : A 246 LYS NZ :NH3+ -111:sc= -1.37 (180deg=-5.68!) USER MOD Single : A 250 ASN : amide:sc= -1.28! C(o=-1.3!,f=-3.8!) 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 180:sc= -1.78! USER MOD Single : A 266 LYS NZ :NH3+ 151:sc= -2.49! (180deg=-5.9!) USER MOD Single : A 268 THR OG1 : rot -23:sc= 0.138 USER MOD Single : A 269 LYS NZ :NH3+ -147:sc= 1.17 (180deg=-0.735) USER MOD Single : A 271 ASN : amide:sc= -3.15! C(o=-3.2!,f=-11!) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 280 CYS SG : rot -160:sc= -2.52! USER MOD Single : A 281 ASN : amide:sc= -1.5 K(o=-1.5,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 173:sc= 0.742 (180deg=0.689) USER MOD Single : A 286 HIS : no HE2:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 297 GLN : amide:sc= -5.5! K(o=-5.5!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -13.697 10.227 1.606 1.00 6.89 N ATOM 2 CA GLY A 220 -13.128 9.137 2.429 1.00 6.03 C ATOM 3 C GLY A 220 -13.386 7.767 1.840 1.00 5.17 C ATOM 4 O GLY A 220 -12.678 7.343 0.935 1.00 5.52 O ATOM 0 HA2 GLY A 220 -12.053 9.288 2.532 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -13.554 9.183 3.431 1.00 6.03 H new ATOM 10 N PRO A 221 -14.420 7.064 2.331 1.00 4.25 N ATOM 11 CA PRO A 221 -14.727 5.683 1.928 1.00 3.64 C ATOM 12 C PRO A 221 -14.776 5.466 0.412 1.00 3.42 C ATOM 13 O PRO A 221 -14.154 4.533 -0.099 1.00 3.65 O ATOM 14 CB PRO A 221 -16.107 5.444 2.543 1.00 3.01 C ATOM 15 CG PRO A 221 -16.142 6.333 3.733 1.00 3.25 C ATOM 16 CD PRO A 221 -15.375 7.561 3.341 1.00 4.10 C ATOM 0 HA PRO A 221 -13.950 4.996 2.264 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -16.903 5.690 1.840 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -16.241 4.399 2.824 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -17.167 6.582 4.006 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -15.690 5.848 4.598 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -16.030 8.329 2.930 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -14.862 8.003 4.195 1.00 4.10 H new ATOM 24 N TYR A 222 -15.509 6.332 -0.296 1.00 3.36 N ATOM 25 CA TYR A 222 -15.731 6.197 -1.742 1.00 3.25 C ATOM 26 C TYR A 222 -16.668 5.030 -2.035 1.00 2.52 C ATOM 27 O TYR A 222 -17.805 5.232 -2.461 1.00 2.61 O ATOM 28 CB TYR A 222 -14.409 6.033 -2.508 1.00 3.76 C ATOM 29 CG TYR A 222 -14.555 6.111 -4.014 1.00 4.63 C ATOM 30 CD1 TYR A 222 -14.472 7.325 -4.681 1.00 5.08 C ATOM 31 CD2 TYR A 222 -14.780 4.966 -4.766 1.00 5.31 C ATOM 32 CE1 TYR A 222 -14.612 7.399 -6.055 1.00 6.03 C ATOM 33 CE2 TYR A 222 -14.920 5.031 -6.139 1.00 6.23 C ATOM 34 CZ TYR A 222 -14.809 6.261 -6.780 1.00 6.52 C ATOM 35 OH TYR A 222 -14.976 6.316 -8.148 1.00 7.54 O ATOM 0 H TYR A 222 -15.965 7.146 0.116 1.00 3.36 H new ATOM 0 HA TYR A 222 -16.200 7.118 -2.089 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -13.713 6.805 -2.180 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -13.966 5.072 -2.246 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -14.295 8.229 -4.117 1.00 5.08 H new ATOM 0 HD2 TYR A 222 -14.847 4.009 -4.270 1.00 5.31 H new ATOM 0 HE1 TYR A 222 -14.565 8.356 -6.553 1.00 6.03 H new ATOM 0 HE2 TYR A 222 -15.114 4.135 -6.710 1.00 6.23 H new ATOM 0 HH TYR A 222 -15.103 5.410 -8.499 1.00 7.54 H new ATOM 45 N ALA A 223 -16.199 3.818 -1.805 1.00 2.13 N ATOM 46 CA ALA A 223 -17.002 2.637 -2.040 1.00 2.17 C ATOM 47 C ALA A 223 -17.519 2.083 -0.722 1.00 2.50 C ATOM 48 O ALA A 223 -18.715 2.144 -0.426 1.00 3.04 O ATOM 49 CB ALA A 223 -16.170 1.614 -2.773 1.00 2.26 C ATOM 0 H ALA A 223 -15.261 3.627 -1.454 1.00 2.13 H new ATOM 0 HA ALA A 223 -17.866 2.893 -2.653 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -16.768 0.721 -2.954 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -15.840 2.029 -3.725 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -15.300 1.352 -2.170 1.00 2.26 H new ATOM 55 N GLN A 224 -16.605 1.543 0.062 1.00 2.41 N ATOM 56 CA GLN A 224 -16.882 1.168 1.432 1.00 2.84 C ATOM 57 C GLN A 224 -15.930 1.941 2.304 1.00 2.61 C ATOM 58 O GLN A 224 -15.029 2.580 1.773 1.00 2.25 O ATOM 59 CB GLN A 224 -16.686 -0.328 1.629 1.00 3.26 C ATOM 60 CG GLN A 224 -17.885 -1.156 1.196 1.00 3.94 C ATOM 61 CD GLN A 224 -19.046 -1.032 2.161 1.00 4.73 C ATOM 62 OE1 GLN A 224 -19.184 -1.833 3.085 1.00 5.34 O ATOM 63 NE2 GLN A 224 -19.872 -0.020 1.970 1.00 5.07 N ATOM 0 H GLN A 224 -15.648 1.352 -0.236 1.00 2.41 H new ATOM 0 HA GLN A 224 -17.916 1.396 1.690 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -15.810 -0.649 1.066 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -16.479 -0.524 2.681 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -18.204 -0.838 0.204 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -17.592 -2.203 1.116 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -19.721 0.621 1.191 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -20.661 0.121 2.601 1.00 5.07 H new ATOM 72 N PRO A 225 -16.091 1.941 3.635 1.00 3.00 N ATOM 73 CA PRO A 225 -15.155 2.669 4.476 1.00 2.88 C ATOM 74 C PRO A 225 -13.753 2.104 4.304 1.00 2.43 C ATOM 75 O PRO A 225 -13.430 1.039 4.844 1.00 2.62 O ATOM 76 CB PRO A 225 -15.691 2.419 5.888 1.00 3.40 C ATOM 77 CG PRO A 225 -16.545 1.201 5.774 1.00 4.04 C ATOM 78 CD PRO A 225 -17.141 1.261 4.404 1.00 3.72 C ATOM 0 HA PRO A 225 -15.081 3.730 4.239 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -14.877 2.264 6.596 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -16.268 3.272 6.247 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -15.955 0.294 5.907 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -17.321 1.192 6.540 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -17.355 0.268 4.010 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -18.078 1.817 4.392 1.00 3.72 H new ATOM 86 N SER A 226 -12.917 2.901 3.625 1.00 2.20 N ATOM 87 CA SER A 226 -11.613 2.473 3.103 1.00 2.08 C ATOM 88 C SER A 226 -11.516 0.949 2.912 1.00 1.74 C ATOM 89 O SER A 226 -12.478 0.287 2.516 1.00 1.98 O ATOM 90 CB SER A 226 -10.504 2.984 4.022 1.00 2.61 C ATOM 91 OG SER A 226 -10.487 4.404 4.052 1.00 3.08 O ATOM 0 H SER A 226 -13.132 3.877 3.420 1.00 2.20 H new ATOM 0 HA SER A 226 -11.495 2.907 2.110 1.00 2.08 H new ATOM 0 HB2 SER A 226 -10.653 2.596 5.030 1.00 2.61 H new ATOM 0 HB3 SER A 226 -9.539 2.612 3.677 1.00 2.61 H new ATOM 0 HG SER A 226 -10.049 4.743 3.243 1.00 3.08 H new ATOM 97 N ILE A 227 -10.330 0.407 3.132 1.00 1.37 N ATOM 98 CA ILE A 227 -10.156 -1.029 3.202 1.00 1.12 C ATOM 99 C ILE A 227 -9.707 -1.398 4.614 1.00 1.27 C ATOM 100 O ILE A 227 -8.522 -1.391 4.944 1.00 1.47 O ATOM 101 CB ILE A 227 -9.176 -1.571 2.115 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.912 -1.796 0.783 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.500 -2.864 2.546 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.299 -0.522 0.062 1.00 1.47 C ATOM 0 H ILE A 227 -9.473 0.944 3.265 1.00 1.37 H new ATOM 0 HA ILE A 227 -11.111 -1.509 2.988 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.403 -0.814 1.982 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.278 -2.392 0.127 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.813 -2.380 0.973 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.828 -3.203 1.758 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -7.931 -2.690 3.459 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.257 -3.626 2.730 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.813 -0.771 -0.866 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.961 0.068 0.696 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.402 0.055 -0.163 1.00 1.47 H new ATOM 116 N ASN A 228 -10.697 -1.612 5.467 1.00 1.52 N ATOM 117 CA ASN A 228 -10.480 -2.041 6.841 1.00 1.82 C ATOM 118 C ASN A 228 -11.586 -3.009 7.221 1.00 1.80 C ATOM 119 O ASN A 228 -12.728 -2.584 7.328 1.00 2.07 O ATOM 120 CB ASN A 228 -10.516 -0.845 7.809 1.00 2.42 C ATOM 121 CG ASN A 228 -9.315 0.084 7.704 1.00 3.09 C ATOM 122 OD1 ASN A 228 -9.450 1.302 7.824 1.00 3.44 O ATOM 123 ND2 ASN A 228 -8.133 -0.478 7.513 1.00 3.83 N ATOM 0 H ASN A 228 -11.680 -1.492 5.224 1.00 1.52 H new ATOM 0 HA ASN A 228 -9.500 -2.513 6.911 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -11.423 -0.269 7.623 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -10.581 -1.221 8.830 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -7.295 0.101 7.461 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -8.059 -1.491 7.418 1.00 3.83 H new ATOM 130 N THR A 229 -11.225 -4.294 7.366 1.00 1.66 N ATOM 131 CA THR A 229 -12.134 -5.402 7.750 1.00 1.67 C ATOM 132 C THR A 229 -11.762 -6.686 6.999 1.00 1.68 C ATOM 133 O THR A 229 -11.409 -7.690 7.619 1.00 2.22 O ATOM 134 CB THR A 229 -13.653 -5.149 7.494 1.00 1.80 C ATOM 135 OG1 THR A 229 -14.179 -4.195 8.429 1.00 1.91 O ATOM 136 CG2 THR A 229 -14.457 -6.440 7.617 1.00 1.88 C ATOM 0 H THR A 229 -10.266 -4.607 7.216 1.00 1.66 H new ATOM 0 HA THR A 229 -11.995 -5.486 8.828 1.00 1.67 H new ATOM 0 HB THR A 229 -13.743 -4.760 6.480 1.00 1.80 H new ATOM 0 HG1 THR A 229 -13.843 -3.301 8.208 1.00 1.91 H new ATOM 0 HG21 THR A 229 -15.511 -6.231 7.433 1.00 1.88 H new ATOM 0 HG22 THR A 229 -14.098 -7.164 6.885 1.00 1.88 H new ATOM 0 HG23 THR A 229 -14.338 -6.849 8.620 1.00 1.88 H new ATOM 144 N PRO A 230 -11.808 -6.663 5.648 1.00 1.34 N ATOM 145 CA PRO A 230 -11.774 -7.870 4.839 1.00 1.46 C ATOM 146 C PRO A 230 -10.366 -8.365 4.528 1.00 1.44 C ATOM 147 O PRO A 230 -9.395 -7.604 4.555 1.00 1.32 O ATOM 148 CB PRO A 230 -12.491 -7.449 3.549 1.00 1.46 C ATOM 149 CG PRO A 230 -12.543 -5.952 3.549 1.00 1.48 C ATOM 150 CD PRO A 230 -11.856 -5.471 4.794 1.00 1.35 C ATOM 0 HA PRO A 230 -12.238 -8.706 5.362 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.957 -7.817 2.673 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -13.496 -7.870 3.510 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -12.051 -5.552 2.662 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -13.576 -5.605 3.524 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -10.857 -5.092 4.579 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -12.409 -4.660 5.269 1.00 1.35 H new ATOM 158 N LEU A 231 -10.276 -9.660 4.247 1.00 1.78 N ATOM 159 CA LEU A 231 -9.031 -10.290 3.829 1.00 1.82 C ATOM 160 C LEU A 231 -8.635 -9.795 2.433 1.00 1.52 C ATOM 161 O LEU A 231 -9.438 -9.151 1.755 1.00 1.52 O ATOM 162 CB LEU A 231 -9.180 -11.823 3.839 1.00 2.34 C ATOM 163 CG LEU A 231 -10.101 -12.422 2.766 1.00 2.79 C ATOM 164 CD1 LEU A 231 -9.866 -13.919 2.656 1.00 3.30 C ATOM 165 CD2 LEU A 231 -11.566 -12.150 3.079 1.00 3.42 C ATOM 0 H LEU A 231 -11.066 -10.303 4.303 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.243 -10.017 4.531 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -8.190 -12.264 3.726 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -9.553 -12.125 4.818 1.00 2.34 H new ATOM 0 HG LEU A 231 -9.863 -11.946 1.815 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.523 -14.335 1.893 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -8.828 -14.105 2.381 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -10.078 -14.392 3.615 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -12.192 -12.587 2.301 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -11.821 -12.594 4.041 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -11.736 -11.074 3.120 1.00 3.42 H new ATOM 177 N PRO A 232 -7.393 -10.080 1.988 1.00 1.40 N ATOM 178 CA PRO A 232 -6.882 -9.584 0.704 1.00 1.28 C ATOM 179 C PRO A 232 -7.776 -9.921 -0.490 1.00 1.55 C ATOM 180 O PRO A 232 -8.107 -11.083 -0.732 1.00 1.84 O ATOM 181 CB PRO A 232 -5.532 -10.291 0.558 1.00 1.40 C ATOM 182 CG PRO A 232 -5.112 -10.599 1.949 1.00 1.45 C ATOM 183 CD PRO A 232 -6.379 -10.873 2.709 1.00 1.54 C ATOM 0 HA PRO A 232 -6.828 -8.495 0.706 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.624 -11.199 -0.038 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.804 -9.653 0.057 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -4.447 -11.462 1.974 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.567 -9.763 2.387 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -6.625 -11.935 2.709 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.296 -10.565 3.751 1.00 1.54 H new ATOM 191 N ASN A 233 -8.140 -8.874 -1.227 1.00 1.58 N ATOM 192 CA ASN A 233 -8.877 -8.984 -2.482 1.00 2.01 C ATOM 193 C ASN A 233 -9.122 -7.587 -3.062 1.00 1.76 C ATOM 194 O ASN A 233 -8.256 -7.050 -3.754 1.00 2.31 O ATOM 195 CB ASN A 233 -10.208 -9.731 -2.314 1.00 2.67 C ATOM 196 CG ASN A 233 -10.918 -9.940 -3.641 1.00 3.38 C ATOM 197 OD1 ASN A 233 -10.282 -10.049 -4.691 1.00 3.96 O ATOM 198 ND2 ASN A 233 -12.239 -9.998 -3.604 1.00 3.82 N ATOM 0 H ASN A 233 -7.928 -7.911 -0.965 1.00 1.58 H new ATOM 0 HA ASN A 233 -8.268 -9.568 -3.172 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -10.024 -10.698 -1.846 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.856 -9.169 -1.641 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -12.768 -10.137 -4.465 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -12.729 -9.903 -2.714 1.00 3.82 H new ATOM 205 N LEU A 234 -10.271 -6.991 -2.699 1.00 1.61 N ATOM 206 CA LEU A 234 -10.754 -5.714 -3.210 1.00 1.90 C ATOM 207 C LEU A 234 -12.262 -5.751 -3.143 1.00 1.69 C ATOM 208 O LEU A 234 -12.881 -6.765 -3.457 1.00 1.91 O ATOM 209 CB LEU A 234 -10.308 -5.380 -4.647 1.00 2.77 C ATOM 210 CG LEU A 234 -10.667 -6.384 -5.757 1.00 3.77 C ATOM 211 CD1 LEU A 234 -12.067 -6.136 -6.304 1.00 4.30 C ATOM 212 CD2 LEU A 234 -9.646 -6.299 -6.877 1.00 4.49 C ATOM 0 H LEU A 234 -10.905 -7.407 -2.017 1.00 1.61 H new ATOM 0 HA LEU A 234 -10.320 -4.928 -2.592 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.737 -4.415 -4.916 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -9.225 -5.257 -4.643 1.00 2.77 H new ATOM 0 HG LEU A 234 -10.652 -7.385 -5.325 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -12.286 -6.863 -7.086 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.795 -6.237 -5.499 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -12.123 -5.130 -6.719 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -9.905 -7.012 -7.660 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.643 -5.291 -7.291 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.656 -6.534 -6.486 1.00 4.49 H new ATOM 224 N GLN A 235 -12.843 -4.678 -2.686 1.00 1.58 N ATOM 225 CA GLN A 235 -14.276 -4.593 -2.583 1.00 1.78 C ATOM 226 C GLN A 235 -14.819 -3.745 -3.730 1.00 1.59 C ATOM 227 O GLN A 235 -15.939 -3.944 -4.196 1.00 1.97 O ATOM 228 CB GLN A 235 -14.605 -4.052 -1.195 1.00 2.17 C ATOM 229 CG GLN A 235 -15.969 -3.384 -1.046 1.00 2.56 C ATOM 230 CD GLN A 235 -16.009 -1.963 -1.578 1.00 3.18 C ATOM 231 OE1 GLN A 235 -15.013 -1.247 -1.545 1.00 3.71 O ATOM 232 NE2 GLN A 235 -17.166 -1.549 -2.070 1.00 3.72 N ATOM 0 H GLN A 235 -12.344 -3.844 -2.376 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.760 -5.564 -2.682 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -14.545 -4.874 -0.482 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -13.837 -3.331 -0.916 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.716 -3.981 -1.570 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.248 -3.377 0.008 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -17.970 -2.176 -2.079 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -17.253 -0.603 -2.440 1.00 3.72 H new ATOM 241 N ASN A 236 -13.990 -2.821 -4.190 1.00 1.40 N ATOM 242 CA ASN A 236 -14.328 -1.960 -5.315 1.00 1.65 C ATOM 243 C ASN A 236 -13.208 -2.018 -6.344 1.00 1.69 C ATOM 244 O ASN A 236 -13.449 -2.019 -7.553 1.00 2.36 O ATOM 245 CB ASN A 236 -14.539 -0.516 -4.842 1.00 2.09 C ATOM 246 CG ASN A 236 -14.876 0.435 -5.976 1.00 2.95 C ATOM 247 OD1 ASN A 236 -15.558 0.069 -6.936 1.00 3.67 O ATOM 248 ND2 ASN A 236 -14.390 1.663 -5.880 1.00 3.34 N ATOM 0 H ASN A 236 -13.066 -2.646 -3.796 1.00 1.40 H new ATOM 0 HA ASN A 236 -15.256 -2.309 -5.767 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -15.342 -0.494 -4.106 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -13.636 -0.168 -4.339 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -14.576 2.344 -6.616 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.830 1.928 -5.070 1.00 3.34 H new ATOM 255 N GLY A 237 -11.983 -2.107 -5.847 1.00 1.32 N ATOM 256 CA GLY A 237 -10.835 -2.140 -6.655 1.00 1.67 C ATOM 257 C GLY A 237 -9.644 -1.998 -5.760 1.00 1.38 C ATOM 258 O GLY A 237 -9.764 -2.130 -4.538 1.00 1.70 O ATOM 0 H GLY A 237 -11.786 -2.158 -4.848 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.786 -3.076 -7.211 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.860 -1.334 -7.389 1.00 1.67 H new ATOM 262 N PRO A 238 -8.495 -1.764 -6.324 1.00 0.90 N ATOM 263 CA PRO A 238 -7.246 -1.620 -5.609 1.00 0.65 C ATOM 264 C PRO A 238 -6.972 -0.184 -5.299 1.00 0.50 C ATOM 265 O PRO A 238 -7.505 0.713 -5.949 1.00 0.76 O ATOM 266 CB PRO A 238 -6.233 -2.139 -6.631 1.00 0.65 C ATOM 267 CG PRO A 238 -7.102 -2.618 -7.752 1.00 0.96 C ATOM 268 CD PRO A 238 -8.250 -1.681 -7.732 1.00 0.88 C ATOM 0 HA PRO A 238 -7.228 -2.143 -4.653 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.550 -1.354 -6.957 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.622 -2.944 -6.221 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.577 -2.588 -8.707 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.423 -3.648 -7.598 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.994 -0.676 -8.068 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -9.092 -2.015 -8.338 1.00 0.88 H new ATOM 276 N PHE A 239 -6.122 0.047 -4.344 1.00 0.37 N ATOM 277 CA PHE A 239 -5.861 1.401 -3.958 1.00 0.28 C ATOM 278 C PHE A 239 -4.419 1.759 -4.169 1.00 0.27 C ATOM 279 O PHE A 239 -3.619 0.954 -4.634 1.00 0.51 O ATOM 280 CB PHE A 239 -6.291 1.669 -2.510 1.00 0.34 C ATOM 281 CG PHE A 239 -5.957 0.564 -1.568 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.654 0.283 -1.211 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.971 -0.182 -1.030 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.377 -0.735 -0.326 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.703 -1.202 -0.147 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.402 -1.478 0.205 1.00 0.73 C ATOM 0 H PHE A 239 -5.607 -0.666 -3.828 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.462 2.043 -4.602 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.814 2.586 -2.163 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.367 1.841 -2.487 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.846 0.865 -1.629 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.994 0.033 -1.302 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.355 -0.949 -0.050 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.512 -1.785 0.269 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.187 -2.278 0.898 1.00 0.73 H new ATOM 296 N TYR A 240 -4.113 2.977 -3.835 1.00 0.16 N ATOM 297 CA TYR A 240 -2.775 3.491 -3.920 1.00 0.21 C ATOM 298 C TYR A 240 -2.417 3.979 -2.543 1.00 0.21 C ATOM 299 O TYR A 240 -3.302 4.172 -1.733 1.00 0.36 O ATOM 300 CB TYR A 240 -2.692 4.635 -4.935 1.00 0.25 C ATOM 301 CG TYR A 240 -3.182 4.272 -6.325 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.719 3.136 -6.977 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.094 5.082 -6.993 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.152 2.814 -8.250 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.535 4.763 -8.266 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.059 3.630 -8.889 1.00 0.45 C ATOM 307 OH TYR A 240 -4.488 3.311 -10.161 1.00 0.59 O ATOM 0 H TYR A 240 -4.795 3.653 -3.490 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.083 2.719 -4.257 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.277 5.477 -4.565 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.657 4.971 -5.003 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.008 2.493 -6.480 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.464 5.975 -6.511 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.781 1.927 -8.741 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.249 5.399 -8.768 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.127 3.987 -10.470 1.00 0.59 H new ATOM 317 N ALA A 241 -1.156 4.122 -2.237 1.00 0.17 N ATOM 318 CA ALA A 241 -0.788 4.734 -0.979 1.00 0.19 C ATOM 319 C ALA A 241 0.428 5.618 -1.162 1.00 0.15 C ATOM 320 O ALA A 241 1.461 5.172 -1.666 1.00 0.19 O ATOM 321 CB ALA A 241 -0.542 3.698 0.104 1.00 0.35 C ATOM 0 H ALA A 241 -0.375 3.831 -2.825 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.626 5.349 -0.652 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.268 4.200 1.032 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.449 3.114 0.261 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.268 3.036 -0.203 1.00 0.35 H new ATOM 327 N ARG A 242 0.290 6.870 -0.773 1.00 0.16 N ATOM 328 CA ARG A 242 1.382 7.809 -0.834 1.00 0.16 C ATOM 329 C ARG A 242 2.318 7.567 0.325 1.00 0.14 C ATOM 330 O ARG A 242 1.997 7.855 1.476 1.00 0.23 O ATOM 331 CB ARG A 242 0.875 9.252 -0.778 1.00 0.29 C ATOM 332 CG ARG A 242 1.991 10.289 -0.813 1.00 0.33 C ATOM 333 CD ARG A 242 2.408 10.617 -2.237 1.00 0.79 C ATOM 334 NE ARG A 242 1.293 11.129 -3.029 1.00 1.19 N ATOM 335 CZ ARG A 242 1.419 11.623 -4.258 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.619 11.730 -4.818 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.344 12.028 -4.917 1.00 2.05 N ATOM 0 H ARG A 242 -0.579 7.259 -0.408 1.00 0.16 H new ATOM 0 HA ARG A 242 1.905 7.663 -1.779 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.202 9.425 -1.618 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.291 9.389 0.132 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.659 11.198 -0.312 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.852 9.916 -0.258 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.209 11.356 -2.219 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.810 9.722 -2.712 1.00 0.79 H new ATOM 0 HE ARG A 242 0.361 11.107 -2.615 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.449 11.433 -4.306 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.710 12.109 -5.760 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.576 11.961 -4.482 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.436 12.407 -5.859 1.00 2.05 H new ATOM 351 N VAL A 243 3.458 7.016 0.021 1.00 0.10 N ATOM 352 CA VAL A 243 4.454 6.775 1.022 1.00 0.14 C ATOM 353 C VAL A 243 5.117 8.083 1.411 1.00 0.11 C ATOM 354 O VAL A 243 5.847 8.681 0.622 1.00 0.15 O ATOM 355 CB VAL A 243 5.502 5.761 0.525 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.949 6.070 -0.892 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.688 5.732 1.465 1.00 0.32 C ATOM 0 H VAL A 243 3.721 6.724 -0.920 1.00 0.10 H new ATOM 0 HA VAL A 243 3.970 6.348 1.900 1.00 0.14 H new ATOM 0 HB VAL A 243 5.037 4.775 0.513 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.688 5.334 -1.209 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.089 6.032 -1.561 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.391 7.066 -0.925 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.422 5.012 1.103 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.142 6.722 1.508 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.355 5.441 2.462 1.00 0.32 H new ATOM 367 N ILE A 244 4.846 8.555 2.618 1.00 0.13 N ATOM 368 CA ILE A 244 5.454 9.801 3.041 1.00 0.15 C ATOM 369 C ILE A 244 6.778 9.552 3.742 1.00 0.14 C ATOM 370 O ILE A 244 7.520 10.495 3.987 1.00 0.20 O ATOM 371 CB ILE A 244 4.554 10.683 3.941 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.246 10.008 5.284 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.269 11.046 3.207 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.115 9.008 5.230 1.00 0.76 C ATOM 0 H ILE A 244 4.231 8.111 3.299 1.00 0.13 H new ATOM 0 HA ILE A 244 5.612 10.359 2.118 1.00 0.15 H new ATOM 0 HB ILE A 244 5.103 11.598 4.164 1.00 0.25 H new ATOM 0 HG12 ILE A 244 5.145 9.504 5.639 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.001 10.777 6.017 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.645 11.666 3.851 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.512 11.596 2.298 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.729 10.136 2.947 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.962 8.577 6.220 1.00 0.76 H new ATOM 0 HD12 ILE A 244 2.202 9.508 4.907 1.00 0.76 H new ATOM 0 HD13 ILE A 244 3.363 8.216 4.524 1.00 0.76 H new ATOM 386 N GLN A 245 7.063 8.288 4.084 1.00 0.12 N ATOM 387 CA GLN A 245 8.373 7.910 4.632 1.00 0.14 C ATOM 388 C GLN A 245 8.710 6.459 4.350 1.00 0.14 C ATOM 389 O GLN A 245 8.131 5.553 4.940 1.00 0.17 O ATOM 390 CB GLN A 245 8.437 8.158 6.134 1.00 0.21 C ATOM 391 CG GLN A 245 8.473 9.625 6.474 1.00 0.33 C ATOM 392 CD GLN A 245 8.602 9.881 7.962 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.704 9.943 8.497 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.475 10.043 8.637 1.00 1.06 N ATOM 0 H GLN A 245 6.407 7.513 3.991 1.00 0.12 H new ATOM 0 HA GLN A 245 9.108 8.540 4.131 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.572 7.698 6.612 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.323 7.672 6.542 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.310 10.093 5.956 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.564 10.101 6.106 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.578 9.984 8.154 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.503 10.227 9.640 1.00 1.06 H new ATOM 403 N LYS A 246 9.609 6.248 3.404 1.00 0.15 N ATOM 404 CA LYS A 246 10.172 4.932 3.152 1.00 0.16 C ATOM 405 C LYS A 246 11.673 5.023 2.933 1.00 0.22 C ATOM 406 O LYS A 246 12.225 6.111 2.751 1.00 0.29 O ATOM 407 CB LYS A 246 9.527 4.259 1.944 1.00 0.18 C ATOM 408 CG LYS A 246 8.913 2.898 2.249 1.00 0.20 C ATOM 409 CD LYS A 246 7.655 3.029 3.098 1.00 0.29 C ATOM 410 CE LYS A 246 6.575 2.061 2.665 1.00 0.28 C ATOM 411 NZ LYS A 246 5.965 2.448 1.366 1.00 0.36 N ATOM 0 H LYS A 246 9.968 6.980 2.791 1.00 0.15 H new ATOM 0 HA LYS A 246 9.966 4.325 4.034 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.753 4.915 1.546 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.278 4.141 1.163 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.672 2.390 1.316 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.642 2.278 2.771 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.904 2.850 4.144 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.276 4.049 3.030 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.998 1.060 2.582 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.800 2.017 3.430 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.985 2.759 1.522 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.512 3.225 0.944 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.971 1.631 0.723 1.00 0.36 H new ATOM 425 N ARG A 247 12.312 3.874 2.958 1.00 0.27 N ATOM 426 CA ARG A 247 13.679 3.738 2.502 1.00 0.37 C ATOM 427 C ARG A 247 13.577 3.113 1.135 1.00 0.27 C ATOM 428 O ARG A 247 12.495 2.662 0.774 1.00 0.21 O ATOM 429 CB ARG A 247 14.506 2.837 3.427 1.00 0.55 C ATOM 430 CG ARG A 247 14.205 1.355 3.258 1.00 0.69 C ATOM 431 CD ARG A 247 15.059 0.503 4.171 1.00 0.72 C ATOM 432 NE ARG A 247 14.424 -0.769 4.478 1.00 1.24 N ATOM 433 CZ ARG A 247 15.026 -1.947 4.384 1.00 1.29 C ATOM 434 NH1 ARG A 247 16.276 -2.034 3.946 1.00 1.33 N ATOM 435 NH2 ARG A 247 14.368 -3.039 4.719 1.00 2.10 N ATOM 0 H ARG A 247 11.898 3.005 3.296 1.00 0.27 H new ATOM 0 HA ARG A 247 14.182 4.705 2.490 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.565 3.009 3.236 1.00 0.55 H new ATOM 0 HB3 ARG A 247 14.318 3.122 4.462 1.00 0.55 H new ATOM 0 HG2 ARG A 247 13.152 1.171 3.469 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.378 1.064 2.222 1.00 0.69 H new ATOM 0 HD2 ARG A 247 16.025 0.322 3.700 1.00 0.72 H new ATOM 0 HD3 ARG A 247 15.253 1.045 5.097 1.00 0.72 H new ATOM 0 HE ARG A 247 13.452 -0.754 4.786 1.00 1.24 H new ATOM 0 HH11 ARG A 247 16.782 -1.190 3.678 1.00 1.33 H new ATOM 0 HH12 ARG A 247 16.730 -2.945 3.877 1.00 1.33 H new ATOM 0 HH21 ARG A 247 13.404 -2.973 5.047 1.00 2.10 H new ATOM 0 HH22 ARG A 247 14.822 -3.950 4.650 1.00 2.10 H new ATOM 449 N VAL A 248 14.640 3.103 0.357 1.00 0.32 N ATOM 450 CA VAL A 248 14.586 2.422 -0.923 1.00 0.31 C ATOM 451 C VAL A 248 15.224 1.035 -0.801 1.00 0.26 C ATOM 452 O VAL A 248 16.428 0.871 -0.994 1.00 0.30 O ATOM 453 CB VAL A 248 15.302 3.233 -2.024 1.00 0.45 C ATOM 454 CG1 VAL A 248 14.815 2.819 -3.401 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.101 4.726 -1.812 1.00 1.18 C ATOM 0 H VAL A 248 15.531 3.546 0.579 1.00 0.32 H new ATOM 0 HA VAL A 248 13.539 2.320 -1.207 1.00 0.31 H new ATOM 0 HB VAL A 248 16.369 3.020 -1.961 1.00 0.45 H new ATOM 0 HG11 VAL A 248 15.333 3.404 -4.161 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.020 1.760 -3.556 1.00 1.12 H new ATOM 0 HG13 VAL A 248 13.742 2.996 -3.476 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.614 5.278 -2.600 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.036 4.958 -1.841 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.508 5.014 -0.843 1.00 1.18 H new ATOM 465 N PRO A 249 14.414 0.021 -0.454 1.00 0.20 N ATOM 466 CA PRO A 249 14.827 -1.357 -0.300 1.00 0.20 C ATOM 467 C PRO A 249 14.446 -2.196 -1.505 1.00 0.27 C ATOM 468 O PRO A 249 13.759 -1.722 -2.400 1.00 0.34 O ATOM 469 CB PRO A 249 14.032 -1.798 0.931 1.00 0.21 C ATOM 470 CG PRO A 249 12.889 -0.825 1.043 1.00 0.23 C ATOM 471 CD PRO A 249 13.007 0.120 -0.125 1.00 0.22 C ATOM 0 HA PRO A 249 15.907 -1.471 -0.201 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.668 -2.819 0.818 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.653 -1.778 1.827 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.933 -1.348 1.023 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.935 -0.281 1.987 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.371 -0.180 -0.958 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.722 1.137 0.143 1.00 0.22 H new ATOM 479 N ASN A 250 14.914 -3.422 -1.558 1.00 0.31 N ATOM 480 CA ASN A 250 14.543 -4.290 -2.651 1.00 0.39 C ATOM 481 C ASN A 250 13.845 -5.537 -2.155 1.00 0.36 C ATOM 482 O ASN A 250 13.769 -5.801 -0.957 1.00 0.35 O ATOM 483 CB ASN A 250 15.767 -4.679 -3.472 1.00 0.51 C ATOM 484 CG ASN A 250 15.427 -5.277 -4.825 1.00 1.13 C ATOM 485 OD1 ASN A 250 14.407 -4.948 -5.433 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.276 -6.173 -5.296 1.00 1.56 N ATOM 0 H ASN A 250 15.542 -3.836 -0.869 1.00 0.31 H new ATOM 0 HA ASN A 250 13.850 -3.736 -3.284 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.390 -3.797 -3.620 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.361 -5.397 -2.906 1.00 0.51 H new ATOM 0 HD21 ASN A 250 16.098 -6.621 -6.195 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.109 -6.417 -4.761 1.00 1.56 H new ATOM 493 N ALA A 251 13.373 -6.299 -3.115 1.00 0.43 N ATOM 494 CA ALA A 251 12.674 -7.553 -2.889 1.00 0.48 C ATOM 495 C ALA A 251 13.556 -8.587 -2.192 1.00 0.53 C ATOM 496 O ALA A 251 13.074 -9.632 -1.756 1.00 0.60 O ATOM 497 CB ALA A 251 12.181 -8.089 -4.217 1.00 0.59 C ATOM 0 H ALA A 251 13.465 -6.061 -4.103 1.00 0.43 H new ATOM 0 HA ALA A 251 11.831 -7.360 -2.226 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.655 -9.030 -4.057 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.503 -7.367 -4.672 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.030 -8.256 -4.880 1.00 0.59 H new ATOM 503 N TYR A 252 14.852 -8.306 -2.111 1.00 0.54 N ATOM 504 CA TYR A 252 15.771 -9.159 -1.379 1.00 0.65 C ATOM 505 C TYR A 252 15.468 -9.037 0.106 1.00 0.60 C ATOM 506 O TYR A 252 15.625 -9.986 0.877 1.00 0.69 O ATOM 507 CB TYR A 252 17.223 -8.750 -1.662 1.00 0.77 C ATOM 508 CG TYR A 252 18.258 -9.669 -1.048 1.00 1.63 C ATOM 509 CD1 TYR A 252 18.734 -9.451 0.239 1.00 2.46 C ATOM 510 CD2 TYR A 252 18.765 -10.749 -1.760 1.00 1.89 C ATOM 511 CE1 TYR A 252 19.683 -10.284 0.799 1.00 3.46 C ATOM 512 CE2 TYR A 252 19.713 -11.588 -1.205 1.00 2.83 C ATOM 513 CZ TYR A 252 20.168 -11.352 0.074 1.00 3.61 C ATOM 514 OH TYR A 252 21.118 -12.180 0.627 1.00 4.61 O ATOM 0 H TYR A 252 15.287 -7.492 -2.545 1.00 0.54 H new ATOM 0 HA TYR A 252 15.645 -10.194 -1.698 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.376 -8.718 -2.741 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.383 -7.739 -1.287 1.00 0.77 H new ATOM 0 HD1 TYR A 252 18.356 -8.617 0.811 1.00 2.46 H new ATOM 0 HD2 TYR A 252 18.413 -10.936 -2.764 1.00 1.89 H new ATOM 0 HE1 TYR A 252 20.044 -10.100 1.800 1.00 3.46 H new ATOM 0 HE2 TYR A 252 20.095 -12.425 -1.771 1.00 2.83 H new ATOM 0 HH TYR A 252 21.352 -12.883 -0.014 1.00 4.61 H new ATOM 524 N ASP A 253 15.004 -7.853 0.484 1.00 0.50 N ATOM 525 CA ASP A 253 14.606 -7.571 1.846 1.00 0.51 C ATOM 526 C ASP A 253 13.179 -7.993 2.046 1.00 0.48 C ATOM 527 O ASP A 253 12.263 -7.199 1.849 1.00 0.43 O ATOM 528 CB ASP A 253 14.730 -6.087 2.138 1.00 0.49 C ATOM 529 CG ASP A 253 14.423 -5.742 3.584 1.00 0.79 C ATOM 530 OD1 ASP A 253 13.238 -5.645 3.947 1.00 1.32 O ATOM 531 OD2 ASP A 253 15.378 -5.541 4.367 1.00 0.85 O ATOM 0 H ASP A 253 14.895 -7.063 -0.152 1.00 0.50 H new ATOM 0 HA ASP A 253 15.258 -8.123 2.523 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.741 -5.758 1.898 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.052 -5.536 1.486 1.00 0.49 H new ATOM 536 N LYS A 254 12.996 -9.241 2.437 1.00 0.55 N ATOM 537 CA LYS A 254 11.692 -9.850 2.456 1.00 0.55 C ATOM 538 C LYS A 254 11.145 -9.755 1.040 1.00 0.49 C ATOM 539 O LYS A 254 11.396 -10.639 0.223 1.00 0.54 O ATOM 540 CB LYS A 254 10.763 -9.184 3.491 1.00 0.57 C ATOM 541 CG LYS A 254 11.472 -8.684 4.746 1.00 0.73 C ATOM 542 CD LYS A 254 12.183 -9.778 5.523 1.00 1.32 C ATOM 543 CE LYS A 254 13.693 -9.591 5.470 1.00 1.62 C ATOM 544 NZ LYS A 254 14.398 -10.524 6.383 1.00 2.40 N ATOM 0 H LYS A 254 13.749 -9.854 2.748 1.00 0.55 H new ATOM 0 HA LYS A 254 11.756 -10.893 2.766 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.254 -8.344 3.017 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.994 -9.899 3.784 1.00 0.57 H new ATOM 0 HG2 LYS A 254 12.198 -7.921 4.463 1.00 0.73 H new ATOM 0 HG3 LYS A 254 10.742 -8.203 5.398 1.00 0.73 H new ATOM 0 HD2 LYS A 254 11.848 -9.769 6.560 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.919 -10.752 5.111 1.00 1.32 H new ATOM 0 HE2 LYS A 254 14.043 -9.748 4.450 1.00 1.62 H new ATOM 0 HE3 LYS A 254 13.941 -8.564 5.738 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 15.424 -10.365 6.318 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 14.083 -10.357 7.360 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 14.182 -11.505 6.112 1.00 2.40 H new ATOM 558 N THR A 255 10.407 -8.695 0.749 1.00 0.42 N ATOM 559 CA THR A 255 10.081 -8.339 -0.619 1.00 0.39 C ATOM 560 C THR A 255 10.091 -6.823 -0.833 1.00 0.31 C ATOM 561 O THR A 255 9.781 -6.363 -1.914 1.00 0.32 O ATOM 562 CB THR A 255 8.736 -8.949 -1.059 1.00 0.47 C ATOM 563 OG1 THR A 255 7.767 -8.839 -0.002 1.00 0.49 O ATOM 564 CG2 THR A 255 8.916 -10.412 -1.437 1.00 0.60 C ATOM 0 H THR A 255 10.021 -8.063 1.450 1.00 0.42 H new ATOM 0 HA THR A 255 10.862 -8.764 -1.249 1.00 0.39 H new ATOM 0 HB THR A 255 8.379 -8.398 -1.929 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.917 -9.229 -0.296 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.957 -10.829 -1.745 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.627 -10.490 -2.259 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.293 -10.966 -0.577 1.00 0.60 H new ATOM 572 N ALA A 256 10.539 -6.098 0.192 1.00 0.26 N ATOM 573 CA ALA A 256 10.305 -4.651 0.397 1.00 0.21 C ATOM 574 C ALA A 256 10.152 -3.769 -0.861 1.00 0.17 C ATOM 575 O ALA A 256 10.929 -3.848 -1.814 1.00 0.21 O ATOM 576 CB ALA A 256 11.413 -4.103 1.271 1.00 0.23 C ATOM 0 H ALA A 256 11.099 -6.511 0.938 1.00 0.26 H new ATOM 0 HA ALA A 256 9.322 -4.596 0.864 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.256 -3.037 1.432 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.408 -4.620 2.231 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.374 -4.258 0.780 1.00 0.23 H new ATOM 582 N LEU A 257 9.129 -2.891 -0.791 1.00 0.14 N ATOM 583 CA LEU A 257 8.843 -1.867 -1.808 1.00 0.14 C ATOM 584 C LEU A 257 9.972 -0.863 -1.943 1.00 0.13 C ATOM 585 O LEU A 257 10.277 -0.150 -0.989 1.00 0.15 O ATOM 586 CB LEU A 257 7.586 -1.054 -1.435 1.00 0.15 C ATOM 587 CG LEU A 257 6.244 -1.639 -1.830 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.267 -2.094 -3.275 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.873 -2.763 -0.902 1.00 0.21 C ATOM 0 H LEU A 257 8.470 -2.877 -0.012 1.00 0.14 H new ATOM 0 HA LEU A 257 8.706 -2.412 -2.742 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.586 -0.907 -0.355 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.673 -0.068 -1.891 1.00 0.15 H new ATOM 0 HG LEU A 257 5.481 -0.866 -1.741 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.296 -2.511 -3.541 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.486 -1.244 -3.921 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.036 -2.855 -3.405 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.907 -3.174 -1.196 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.632 -3.544 -0.955 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.811 -2.386 0.119 1.00 0.21 H new ATOM 601 N ALA A 258 10.543 -0.759 -3.129 1.00 0.14 N ATOM 602 CA ALA A 258 11.541 0.264 -3.392 1.00 0.16 C ATOM 603 C ALA A 258 10.877 1.590 -3.746 1.00 0.17 C ATOM 604 O ALA A 258 10.478 1.807 -4.892 1.00 0.24 O ATOM 605 CB ALA A 258 12.453 -0.185 -4.519 1.00 0.22 C ATOM 0 H ALA A 258 10.335 -1.366 -3.922 1.00 0.14 H new ATOM 0 HA ALA A 258 12.134 0.412 -2.489 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.199 0.586 -4.712 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.953 -1.111 -4.236 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.863 -0.352 -5.420 1.00 0.22 H new ATOM 611 N LEU A 259 10.738 2.465 -2.757 1.00 0.13 N ATOM 612 CA LEU A 259 10.162 3.787 -2.972 1.00 0.15 C ATOM 613 C LEU A 259 10.580 4.718 -1.843 1.00 0.15 C ATOM 614 O LEU A 259 11.085 4.262 -0.826 1.00 0.18 O ATOM 615 CB LEU A 259 8.633 3.711 -3.124 1.00 0.20 C ATOM 616 CG LEU A 259 7.966 2.485 -2.497 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.029 2.555 -0.987 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.527 2.357 -2.969 1.00 0.55 C ATOM 0 H LEU A 259 11.018 2.281 -1.794 1.00 0.13 H new ATOM 0 HA LEU A 259 10.546 4.195 -3.907 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.197 4.606 -2.680 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.390 3.731 -4.186 1.00 0.20 H new ATOM 0 HG LEU A 259 8.511 1.598 -2.820 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.549 1.674 -0.562 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.071 2.591 -0.668 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.513 3.451 -0.642 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.071 1.479 -2.512 1.00 0.55 H new ATOM 0 HD22 LEU A 259 5.969 3.248 -2.681 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.508 2.252 -4.054 1.00 0.55 H new ATOM 630 N GLU A 260 10.365 6.009 -2.012 1.00 0.18 N ATOM 631 CA GLU A 260 10.847 6.988 -1.072 1.00 0.24 C ATOM 632 C GLU A 260 9.698 7.901 -0.667 1.00 0.20 C ATOM 633 O GLU A 260 8.546 7.659 -1.012 1.00 0.21 O ATOM 634 CB GLU A 260 12.006 7.783 -1.691 1.00 0.39 C ATOM 635 CG GLU A 260 11.601 9.110 -2.324 1.00 0.52 C ATOM 636 CD GLU A 260 12.720 9.743 -3.115 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.168 9.136 -4.113 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.159 10.850 -2.745 1.00 1.74 O ATOM 0 H GLU A 260 9.853 6.401 -2.802 1.00 0.18 H new ATOM 0 HA GLU A 260 11.226 6.493 -0.178 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.750 7.977 -0.918 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.488 7.166 -2.450 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.744 8.949 -2.979 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.280 9.798 -1.542 1.00 0.52 H new ATOM 645 N VAL A 261 10.012 8.902 0.108 1.00 0.33 N ATOM 646 CA VAL A 261 9.055 9.913 0.506 1.00 0.32 C ATOM 647 C VAL A 261 8.480 10.691 -0.676 1.00 0.22 C ATOM 648 O VAL A 261 9.219 11.311 -1.443 1.00 0.28 O ATOM 649 CB VAL A 261 9.747 10.867 1.458 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.833 12.010 1.839 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.199 10.055 2.632 1.00 0.93 C ATOM 0 H VAL A 261 10.947 9.046 0.488 1.00 0.33 H new ATOM 0 HA VAL A 261 8.213 9.412 0.984 1.00 0.32 H new ATOM 0 HB VAL A 261 10.612 11.341 0.994 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.354 12.680 2.523 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.544 12.559 0.943 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.941 11.616 2.326 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.705 10.702 3.348 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.335 9.592 3.109 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.886 9.279 2.295 1.00 0.93 H new ATOM 661 N GLY A 262 7.159 10.643 -0.816 1.00 0.17 N ATOM 662 CA GLY A 262 6.488 11.417 -1.831 1.00 0.20 C ATOM 663 C GLY A 262 6.037 10.549 -2.975 1.00 0.22 C ATOM 664 O GLY A 262 5.418 11.019 -3.932 1.00 0.31 O ATOM 0 H GLY A 262 6.541 10.075 -0.236 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.627 11.923 -1.395 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.159 12.192 -2.203 1.00 0.20 H new ATOM 668 N GLU A 263 6.332 9.268 -2.860 1.00 0.16 N ATOM 669 CA GLU A 263 6.071 8.334 -3.925 1.00 0.18 C ATOM 670 C GLU A 263 4.705 7.693 -3.747 1.00 0.15 C ATOM 671 O GLU A 263 4.058 7.868 -2.712 1.00 0.19 O ATOM 672 CB GLU A 263 7.173 7.290 -3.927 1.00 0.23 C ATOM 673 CG GLU A 263 8.558 7.914 -3.901 1.00 0.26 C ATOM 674 CD GLU A 263 8.967 8.464 -5.250 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.322 9.421 -5.727 1.00 1.04 O ATOM 676 OE2 GLU A 263 9.958 7.974 -5.829 1.00 1.02 O ATOM 0 H GLU A 263 6.756 8.853 -2.030 1.00 0.16 H new ATOM 0 HA GLU A 263 6.062 8.851 -4.884 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.054 6.638 -3.062 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.076 6.664 -4.814 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.579 8.716 -3.163 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.284 7.167 -3.581 1.00 0.26 H new ATOM 683 N LEU A 264 4.265 6.950 -4.743 1.00 0.14 N ATOM 684 CA LEU A 264 2.960 6.326 -4.687 1.00 0.13 C ATOM 685 C LEU A 264 3.059 4.881 -5.104 1.00 0.15 C ATOM 686 O LEU A 264 3.849 4.527 -5.977 1.00 0.24 O ATOM 687 CB LEU A 264 1.976 7.066 -5.596 1.00 0.15 C ATOM 688 CG LEU A 264 0.505 6.698 -5.405 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.046 7.358 -4.155 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.308 7.098 -6.626 1.00 0.18 C ATOM 0 H LEU A 264 4.790 6.765 -5.597 1.00 0.14 H new ATOM 0 HA LEU A 264 2.594 6.376 -3.661 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.090 8.137 -5.430 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.250 6.873 -6.633 1.00 0.15 H new ATOM 0 HG LEU A 264 0.431 5.617 -5.285 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.095 7.087 -4.032 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.520 7.022 -3.286 1.00 0.14 H new ATOM 0 HD13 LEU A 264 0.040 8.441 -4.247 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.353 6.828 -6.472 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.230 8.174 -6.778 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.075 6.578 -7.504 1.00 0.18 H new ATOM 702 N VAL A 265 2.248 4.057 -4.480 1.00 0.14 N ATOM 703 CA VAL A 265 2.276 2.638 -4.722 1.00 0.15 C ATOM 704 C VAL A 265 0.859 2.170 -4.964 1.00 0.15 C ATOM 705 O VAL A 265 -0.088 2.869 -4.618 1.00 0.27 O ATOM 706 CB VAL A 265 2.869 1.885 -3.508 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.832 1.732 -2.414 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.411 0.528 -3.908 1.00 0.41 C ATOM 0 H VAL A 265 1.554 4.353 -3.794 1.00 0.14 H new ATOM 0 HA VAL A 265 2.903 2.431 -5.589 1.00 0.15 H new ATOM 0 HB VAL A 265 3.698 2.481 -3.126 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.270 1.200 -1.570 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.499 2.717 -2.088 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.981 1.169 -2.796 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.820 0.027 -3.031 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.607 -0.075 -4.329 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.197 0.655 -4.652 1.00 0.41 H new ATOM 718 N LYS A 266 0.714 1.009 -5.546 1.00 0.13 N ATOM 719 CA LYS A 266 -0.589 0.399 -5.674 1.00 0.15 C ATOM 720 C LYS A 266 -0.569 -0.875 -4.865 1.00 0.13 C ATOM 721 O LYS A 266 0.017 -1.881 -5.266 1.00 0.14 O ATOM 722 CB LYS A 266 -0.953 0.151 -7.151 1.00 0.24 C ATOM 723 CG LYS A 266 -2.279 -0.562 -7.385 1.00 0.85 C ATOM 724 CD LYS A 266 -2.165 -2.076 -7.277 1.00 0.49 C ATOM 725 CE LYS A 266 -1.415 -2.699 -8.453 1.00 0.82 C ATOM 726 NZ LYS A 266 0.022 -2.306 -8.493 1.00 1.32 N ATOM 0 H LYS A 266 1.481 0.464 -5.940 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.364 1.064 -5.293 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.979 1.111 -7.667 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.158 -0.436 -7.610 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -3.010 -0.205 -6.660 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.657 -0.301 -8.374 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.653 -2.332 -6.349 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.164 -2.508 -7.220 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.489 -3.785 -8.391 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -1.895 -2.399 -9.384 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 0.577 -3.064 -8.939 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 0.127 -1.430 -9.044 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 0.366 -2.149 -7.524 1.00 1.32 H new ATOM 740 N VAL A 267 -1.167 -0.805 -3.698 1.00 0.16 N ATOM 741 CA VAL A 267 -1.189 -1.925 -2.801 1.00 0.16 C ATOM 742 C VAL A 267 -2.143 -2.990 -3.341 1.00 0.17 C ATOM 743 O VAL A 267 -3.367 -2.821 -3.332 1.00 0.25 O ATOM 744 CB VAL A 267 -1.595 -1.501 -1.375 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.392 -2.628 -0.411 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.821 -0.275 -0.910 1.00 0.63 C ATOM 0 H VAL A 267 -1.647 0.025 -3.351 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.183 -2.339 -2.739 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.653 -1.241 -1.404 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.684 -2.308 0.589 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.002 -3.479 -0.713 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.341 -2.918 -0.407 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.135 -0.007 0.099 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.246 -0.497 -0.911 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.019 0.558 -1.585 1.00 0.63 H new ATOM 756 N THR A 268 -1.552 -4.058 -3.851 1.00 0.15 N ATOM 757 CA THR A 268 -2.271 -5.170 -4.431 1.00 0.19 C ATOM 758 C THR A 268 -2.863 -6.056 -3.343 1.00 0.22 C ATOM 759 O THR A 268 -3.741 -6.879 -3.600 1.00 0.34 O ATOM 760 CB THR A 268 -1.316 -6.018 -5.297 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.006 -7.151 -5.839 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.113 -6.482 -4.473 1.00 0.29 C ATOM 0 H THR A 268 -0.539 -4.174 -3.872 1.00 0.15 H new ATOM 0 HA THR A 268 -3.077 -4.769 -5.045 1.00 0.19 H new ATOM 0 HB THR A 268 -0.958 -5.398 -6.119 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.782 -7.361 -5.278 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.549 -7.079 -5.100 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.428 -5.613 -4.098 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.458 -7.085 -3.633 1.00 0.29 H new ATOM 770 N LYS A 269 -2.367 -5.881 -2.131 1.00 0.18 N ATOM 771 CA LYS A 269 -2.702 -6.720 -1.030 1.00 0.20 C ATOM 772 C LYS A 269 -3.437 -5.890 0.007 1.00 0.22 C ATOM 773 O LYS A 269 -2.872 -4.974 0.571 1.00 0.35 O ATOM 774 CB LYS A 269 -1.374 -7.290 -0.520 1.00 0.23 C ATOM 775 CG LYS A 269 -1.442 -8.120 0.734 1.00 0.40 C ATOM 776 CD LYS A 269 -1.535 -7.226 1.936 1.00 1.55 C ATOM 777 CE LYS A 269 -2.113 -7.929 3.124 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.209 -8.981 3.658 1.00 2.84 N ATOM 0 H LYS A 269 -1.711 -5.136 -1.896 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.367 -7.543 -1.292 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.937 -7.900 -1.311 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.690 -6.459 -0.344 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.307 -8.782 0.695 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.558 -8.754 0.809 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.542 -6.852 2.186 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.150 -6.359 1.695 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.320 -7.201 3.908 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -3.066 -8.380 2.847 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -1.776 -9.763 4.044 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.602 -9.338 2.893 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -0.616 -8.579 4.412 1.00 2.84 H new ATOM 792 N ILE A 270 -4.704 -6.178 0.231 1.00 0.33 N ATOM 793 CA ILE A 270 -5.470 -5.414 1.202 1.00 0.39 C ATOM 794 C ILE A 270 -5.579 -6.193 2.506 1.00 0.55 C ATOM 795 O ILE A 270 -5.468 -7.416 2.509 1.00 0.73 O ATOM 796 CB ILE A 270 -6.882 -5.052 0.685 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.781 -6.286 0.629 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.783 -4.400 -0.688 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.232 -5.962 0.341 1.00 1.90 C ATOM 0 H ILE A 270 -5.221 -6.923 -0.237 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.937 -4.479 1.372 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.331 -4.344 1.381 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.408 -6.963 -0.140 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.717 -6.816 1.579 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.782 -4.149 -1.044 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.184 -3.492 -0.617 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.312 -5.092 -1.386 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.813 -6.884 0.315 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.621 -5.310 1.123 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.308 -5.459 -0.623 1.00 1.90 H new ATOM 811 N ASN A 271 -5.753 -5.488 3.614 1.00 0.60 N ATOM 812 CA ASN A 271 -5.894 -6.144 4.906 1.00 0.82 C ATOM 813 C ASN A 271 -6.668 -5.266 5.886 1.00 0.70 C ATOM 814 O ASN A 271 -7.145 -4.189 5.533 1.00 0.87 O ATOM 815 CB ASN A 271 -4.513 -6.483 5.474 1.00 1.17 C ATOM 816 CG ASN A 271 -3.802 -5.275 6.028 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.807 -5.030 7.233 1.00 2.28 O ATOM 818 ND2 ASN A 271 -3.217 -4.489 5.151 1.00 1.88 N ATOM 0 H ASN A 271 -5.800 -4.470 3.645 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.458 -7.066 4.762 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.621 -7.229 6.261 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.902 -6.932 4.691 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.745 -3.640 5.462 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -3.236 -4.728 4.160 1.00 1.88 H new ATOM 825 N MET A 272 -6.767 -5.729 7.121 1.00 0.81 N ATOM 826 CA MET A 272 -7.581 -5.079 8.140 1.00 0.97 C ATOM 827 C MET A 272 -6.832 -3.979 8.894 1.00 1.02 C ATOM 828 O MET A 272 -7.396 -2.924 9.183 1.00 1.22 O ATOM 829 CB MET A 272 -8.080 -6.123 9.142 1.00 1.24 C ATOM 830 CG MET A 272 -6.959 -6.921 9.799 1.00 1.30 C ATOM 831 SD MET A 272 -6.232 -8.153 8.698 1.00 2.03 S ATOM 832 CE MET A 272 -4.969 -8.845 9.760 1.00 2.52 C ATOM 0 H MET A 272 -6.286 -6.567 7.448 1.00 0.81 H new ATOM 0 HA MET A 272 -8.416 -4.606 7.622 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.661 -5.623 9.917 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.754 -6.811 8.632 1.00 1.24 H new ATOM 0 HG2 MET A 272 -6.180 -6.236 10.133 1.00 1.30 H new ATOM 0 HG3 MET A 272 -7.347 -7.419 10.687 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.428 -9.624 9.223 1.00 2.52 H new ATOM 0 HE2 MET A 272 -4.274 -8.060 10.057 1.00 2.52 H new ATOM 0 HE3 MET A 272 -5.435 -9.273 10.648 1.00 2.52 H new ATOM 842 N SER A 273 -5.570 -4.223 9.200 1.00 0.93 N ATOM 843 CA SER A 273 -4.828 -3.377 10.130 1.00 1.02 C ATOM 844 C SER A 273 -4.004 -2.312 9.412 1.00 0.91 C ATOM 845 O SER A 273 -3.371 -1.470 10.052 1.00 1.14 O ATOM 846 CB SER A 273 -3.912 -4.249 10.990 1.00 1.14 C ATOM 847 OG SER A 273 -4.636 -5.317 11.582 1.00 1.50 O ATOM 0 H SER A 273 -5.032 -5.002 8.819 1.00 0.93 H new ATOM 0 HA SER A 273 -5.553 -2.858 10.757 1.00 1.02 H new ATOM 0 HB2 SER A 273 -3.104 -4.648 10.377 1.00 1.14 H new ATOM 0 HB3 SER A 273 -3.451 -3.641 11.769 1.00 1.14 H new ATOM 0 HG SER A 273 -4.029 -5.862 12.126 1.00 1.50 H new ATOM 853 N GLY A 274 -4.005 -2.347 8.090 1.00 0.64 N ATOM 854 CA GLY A 274 -3.218 -1.394 7.337 1.00 0.61 C ATOM 855 C GLY A 274 -1.819 -1.910 7.070 1.00 0.49 C ATOM 856 O GLY A 274 -0.962 -1.177 6.590 1.00 0.57 O ATOM 0 H GLY A 274 -4.533 -3.014 7.527 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.714 -1.180 6.390 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -3.161 -0.454 7.886 1.00 0.61 H new ATOM 860 N GLN A 275 -1.587 -3.180 7.366 1.00 0.41 N ATOM 861 CA GLN A 275 -0.278 -3.775 7.133 1.00 0.40 C ATOM 862 C GLN A 275 -0.331 -4.605 5.860 1.00 0.32 C ATOM 863 O GLN A 275 -0.562 -5.814 5.897 1.00 0.41 O ATOM 864 CB GLN A 275 0.142 -4.634 8.332 1.00 0.56 C ATOM 865 CG GLN A 275 1.558 -5.175 8.238 1.00 0.69 C ATOM 866 CD GLN A 275 1.946 -5.979 9.460 1.00 0.76 C ATOM 867 OE1 GLN A 275 1.732 -7.189 9.517 1.00 1.36 O ATOM 868 NE2 GLN A 275 2.512 -5.312 10.454 1.00 0.81 N ATOM 0 H GLN A 275 -2.280 -3.814 7.764 1.00 0.41 H new ATOM 0 HA GLN A 275 0.467 -2.988 7.015 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.051 -4.040 9.241 1.00 0.56 H new ATOM 0 HB3 GLN A 275 -0.550 -5.471 8.427 1.00 0.56 H new ATOM 0 HG2 GLN A 275 1.648 -5.801 7.350 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.254 -4.346 8.115 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.673 -4.308 10.368 1.00 0.81 H new ATOM 0 HE22 GLN A 275 2.787 -5.802 11.305 1.00 0.81 H new ATOM 877 N TRP A 276 -0.176 -3.935 4.728 1.00 0.22 N ATOM 878 CA TRP A 276 -0.376 -4.572 3.443 1.00 0.17 C ATOM 879 C TRP A 276 0.911 -4.688 2.645 1.00 0.15 C ATOM 880 O TRP A 276 1.975 -4.222 3.061 1.00 0.19 O ATOM 881 CB TRP A 276 -1.411 -3.809 2.618 1.00 0.18 C ATOM 882 CG TRP A 276 -1.604 -2.372 3.023 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.640 -1.408 3.107 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.841 -1.732 3.367 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.196 -0.219 3.510 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.546 -0.390 3.668 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.167 -2.164 3.457 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.526 0.520 4.054 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.139 -1.260 3.835 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.816 0.071 4.129 1.00 0.47 C ATOM 0 H TRP A 276 0.088 -2.951 4.677 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.736 -5.580 3.651 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.114 -3.840 1.570 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.368 -4.325 2.694 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.407 -1.559 2.888 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.686 0.651 3.666 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.427 -3.188 3.234 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.277 1.545 4.286 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.167 -1.584 3.905 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.599 0.755 4.420 1.00 0.47 H new ATOM 901 N GLU A 277 0.777 -5.290 1.474 1.00 0.12 N ATOM 902 CA GLU A 277 1.878 -5.501 0.575 1.00 0.12 C ATOM 903 C GLU A 277 1.717 -4.575 -0.608 1.00 0.11 C ATOM 904 O GLU A 277 0.664 -4.553 -1.218 1.00 0.12 O ATOM 905 CB GLU A 277 1.871 -6.931 0.053 1.00 0.14 C ATOM 906 CG GLU A 277 2.507 -7.977 0.952 1.00 0.19 C ATOM 907 CD GLU A 277 1.734 -8.293 2.213 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.910 -7.603 3.230 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.966 -9.274 2.194 1.00 1.55 O ATOM 0 H GLU A 277 -0.113 -5.646 1.126 1.00 0.12 H new ATOM 0 HA GLU A 277 2.810 -5.310 1.107 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.837 -7.222 -0.133 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.385 -6.947 -0.908 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.633 -8.897 0.381 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.504 -7.636 1.231 1.00 0.19 H new ATOM 916 N GLY A 278 2.747 -3.843 -0.952 1.00 0.13 N ATOM 917 CA GLY A 278 2.640 -2.904 -2.047 1.00 0.12 C ATOM 918 C GLY A 278 3.143 -3.489 -3.329 1.00 0.12 C ATOM 919 O GLY A 278 3.848 -4.499 -3.329 1.00 0.15 O ATOM 0 H GLY A 278 3.660 -3.876 -0.498 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.599 -2.603 -2.168 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.207 -2.003 -1.811 1.00 0.12 H new ATOM 923 N GLU A 279 2.773 -2.861 -4.416 1.00 0.11 N ATOM 924 CA GLU A 279 3.343 -3.167 -5.695 1.00 0.14 C ATOM 925 C GLU A 279 3.510 -1.854 -6.441 1.00 0.17 C ATOM 926 O GLU A 279 2.533 -1.141 -6.690 1.00 0.20 O ATOM 927 CB GLU A 279 2.445 -4.157 -6.449 1.00 0.20 C ATOM 928 CG GLU A 279 3.061 -4.752 -7.707 1.00 0.31 C ATOM 929 CD GLU A 279 2.869 -3.878 -8.924 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.773 -3.933 -9.520 1.00 1.27 O ATOM 931 OE2 GLU A 279 3.796 -3.128 -9.277 1.00 2.07 O ATOM 0 H GLU A 279 2.068 -2.124 -4.435 1.00 0.11 H new ATOM 0 HA GLU A 279 4.316 -3.649 -5.595 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.178 -4.970 -5.774 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.519 -3.651 -6.720 1.00 0.20 H new ATOM 0 HG2 GLU A 279 4.127 -4.910 -7.544 1.00 0.31 H new ATOM 0 HG3 GLU A 279 2.619 -5.730 -7.895 1.00 0.31 H new ATOM 938 N CYS A 280 4.750 -1.526 -6.766 1.00 0.20 N ATOM 939 CA CYS A 280 5.054 -0.239 -7.383 1.00 0.27 C ATOM 940 C CYS A 280 5.616 -0.400 -8.782 1.00 0.29 C ATOM 941 O CYS A 280 6.835 -0.445 -8.944 1.00 0.33 O ATOM 942 CB CYS A 280 6.123 0.480 -6.564 1.00 0.39 C ATOM 943 SG CYS A 280 5.903 2.258 -6.432 1.00 0.51 S ATOM 0 H CYS A 280 5.560 -2.127 -6.615 1.00 0.20 H new ATOM 0 HA CYS A 280 4.120 0.321 -7.423 1.00 0.27 H new ATOM 0 HB2 CYS A 280 6.139 0.055 -5.561 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.097 0.281 -7.010 1.00 0.39 H new ATOM 0 HG CYS A 280 7.032 2.812 -6.103 1.00 0.51 H new ATOM 949 N ASN A 281 4.755 -0.402 -9.792 1.00 0.37 N ATOM 950 CA ASN A 281 5.209 -0.557 -11.178 1.00 0.49 C ATOM 951 C ASN A 281 6.274 -1.650 -11.273 1.00 0.45 C ATOM 952 O ASN A 281 7.241 -1.537 -12.027 1.00 0.53 O ATOM 953 CB ASN A 281 5.767 0.764 -11.726 1.00 0.63 C ATOM 954 CG ASN A 281 4.689 1.747 -12.150 1.00 0.80 C ATOM 955 OD1 ASN A 281 4.886 2.533 -13.078 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.552 1.725 -11.475 1.00 0.97 N ATOM 0 H ASN A 281 3.746 -0.299 -9.685 1.00 0.37 H new ATOM 0 HA ASN A 281 4.348 -0.845 -11.781 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.392 1.229 -10.964 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.410 0.551 -12.580 1.00 0.63 H new ATOM 0 HD21 ASN A 281 2.803 2.373 -11.717 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.425 1.060 -10.712 1.00 0.97 H new ATOM 963 N GLY A 282 6.074 -2.715 -10.506 1.00 0.37 N ATOM 964 CA GLY A 282 7.007 -3.810 -10.476 1.00 0.39 C ATOM 965 C GLY A 282 7.870 -3.905 -9.222 1.00 0.34 C ATOM 966 O GLY A 282 8.737 -4.776 -9.149 1.00 0.46 O ATOM 0 H GLY A 282 5.265 -2.834 -9.896 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.451 -4.741 -10.584 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.664 -3.728 -11.342 1.00 0.39 H new ATOM 970 N LYS A 283 7.676 -3.031 -8.238 1.00 0.25 N ATOM 971 CA LYS A 283 8.192 -3.317 -6.904 1.00 0.23 C ATOM 972 C LYS A 283 7.114 -4.052 -6.146 1.00 0.14 C ATOM 973 O LYS A 283 5.939 -3.810 -6.366 1.00 0.17 O ATOM 974 CB LYS A 283 8.571 -2.058 -6.109 1.00 0.33 C ATOM 975 CG LYS A 283 8.877 -0.853 -6.959 1.00 0.74 C ATOM 976 CD LYS A 283 10.164 -1.017 -7.695 1.00 0.61 C ATOM 977 CE LYS A 283 10.443 0.170 -8.597 1.00 1.28 C ATOM 978 NZ LYS A 283 9.472 0.252 -9.722 1.00 1.93 N ATOM 0 H LYS A 283 7.180 -2.145 -8.333 1.00 0.25 H new ATOM 0 HA LYS A 283 9.103 -3.903 -7.021 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.753 -1.811 -5.432 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.441 -2.282 -5.491 1.00 0.33 H new ATOM 0 HG2 LYS A 283 8.067 -0.693 -7.671 1.00 0.74 H new ATOM 0 HG3 LYS A 283 8.927 0.035 -6.329 1.00 0.74 H new ATOM 0 HD2 LYS A 283 10.980 -1.133 -6.982 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.130 -1.929 -8.292 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.399 1.089 -8.012 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.455 0.093 -8.995 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 9.621 1.138 -10.246 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.613 -0.556 -10.362 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 8.503 0.231 -9.346 1.00 1.93 H new ATOM 992 N ARG A 284 7.509 -4.935 -5.271 1.00 0.16 N ATOM 993 CA ARG A 284 6.584 -5.625 -4.403 1.00 0.12 C ATOM 994 C ARG A 284 7.077 -5.418 -2.986 1.00 0.13 C ATOM 995 O ARG A 284 8.100 -4.779 -2.807 1.00 0.20 O ATOM 996 CB ARG A 284 6.520 -7.114 -4.775 1.00 0.18 C ATOM 997 CG ARG A 284 5.653 -7.972 -3.860 1.00 0.21 C ATOM 998 CD ARG A 284 4.177 -7.653 -3.990 1.00 0.26 C ATOM 999 NE ARG A 284 3.374 -8.467 -3.077 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.294 -9.149 -3.449 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.935 -9.175 -4.727 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.594 -9.834 -2.553 1.00 0.67 N ATOM 0 H ARG A 284 8.485 -5.200 -5.136 1.00 0.16 H new ATOM 0 HA ARG A 284 5.571 -5.236 -4.504 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.144 -7.202 -5.794 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.533 -7.517 -4.773 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.816 -9.024 -4.093 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.964 -7.823 -2.826 1.00 0.21 H new ATOM 0 HD2 ARG A 284 4.011 -6.596 -3.780 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.854 -7.828 -5.016 1.00 0.26 H new ATOM 0 HE ARG A 284 3.659 -8.514 -2.099 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.487 -8.673 -5.422 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.107 -9.697 -5.014 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.884 -9.839 -1.575 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.767 -10.355 -2.843 1.00 0.67 H new ATOM 1016 N GLY A 285 6.327 -5.844 -1.987 1.00 0.14 N ATOM 1017 CA GLY A 285 6.865 -5.895 -0.650 1.00 0.18 C ATOM 1018 C GLY A 285 5.776 -5.721 0.355 1.00 0.14 C ATOM 1019 O GLY A 285 4.624 -5.925 0.025 1.00 0.15 O ATOM 0 H GLY A 285 5.359 -6.154 -2.077 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.368 -6.849 -0.490 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.615 -5.114 -0.523 1.00 0.18 H new ATOM 1023 N HIS A 286 6.118 -5.324 1.561 1.00 0.15 N ATOM 1024 CA HIS A 286 5.117 -5.115 2.593 1.00 0.13 C ATOM 1025 C HIS A 286 5.551 -4.008 3.539 1.00 0.15 C ATOM 1026 O HIS A 286 6.671 -4.010 4.043 1.00 0.20 O ATOM 1027 CB HIS A 286 4.830 -6.427 3.346 1.00 0.18 C ATOM 1028 CG HIS A 286 6.039 -7.114 3.925 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.981 -8.317 4.591 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.342 -6.764 3.915 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.199 -8.667 4.968 1.00 0.65 C ATOM 1032 NE2 HIS A 286 8.045 -7.738 4.570 1.00 0.52 N ATOM 0 H HIS A 286 7.077 -5.139 1.854 1.00 0.15 H new ATOM 0 HA HIS A 286 4.187 -4.800 2.120 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.130 -6.217 4.155 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.332 -7.117 2.664 1.00 0.18 H new ATOM 0 HD1 HIS A 286 5.132 -8.854 4.766 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.757 -5.872 3.469 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.457 -9.564 5.511 1.00 0.65 H new ATOM 1041 N PHE A 287 4.674 -3.046 3.746 1.00 0.14 N ATOM 1042 CA PHE A 287 4.976 -1.909 4.599 1.00 0.17 C ATOM 1043 C PHE A 287 3.715 -1.415 5.292 1.00 0.20 C ATOM 1044 O PHE A 287 2.687 -1.205 4.650 1.00 0.29 O ATOM 1045 CB PHE A 287 5.632 -0.778 3.797 1.00 0.20 C ATOM 1046 CG PHE A 287 7.080 -1.016 3.478 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.028 -1.041 4.488 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.496 -1.199 2.172 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.361 -1.245 4.199 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.827 -1.400 1.878 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.762 -1.424 2.893 1.00 0.30 C ATOM 0 H PHE A 287 3.741 -3.027 3.334 1.00 0.14 H new ATOM 0 HA PHE A 287 5.685 -2.234 5.360 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.083 -0.641 2.865 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.542 0.152 4.359 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.720 -0.899 5.513 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.769 -1.184 1.373 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.090 -1.264 4.996 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.139 -1.539 0.853 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.805 -1.583 2.664 1.00 0.30 H new ATOM 1061 N PRO A 288 3.787 -1.238 6.620 1.00 0.22 N ATOM 1062 CA PRO A 288 2.630 -0.868 7.442 1.00 0.26 C ATOM 1063 C PRO A 288 2.055 0.514 7.120 1.00 0.24 C ATOM 1064 O PRO A 288 2.708 1.360 6.500 1.00 0.28 O ATOM 1065 CB PRO A 288 3.177 -0.892 8.874 1.00 0.33 C ATOM 1066 CG PRO A 288 4.650 -0.739 8.725 1.00 0.54 C ATOM 1067 CD PRO A 288 5.005 -1.407 7.429 1.00 0.32 C ATOM 0 HA PRO A 288 1.800 -1.552 7.266 1.00 0.26 H new ATOM 0 HB2 PRO A 288 2.755 -0.084 9.472 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.926 -1.826 9.377 1.00 0.33 H new ATOM 0 HG2 PRO A 288 4.934 0.313 8.712 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.177 -1.201 9.560 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.869 -0.939 6.958 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.251 -2.459 7.572 1.00 0.32 H new ATOM 1075 N PHE A 289 0.834 0.727 7.596 1.00 0.31 N ATOM 1076 CA PHE A 289 0.069 1.946 7.349 1.00 0.37 C ATOM 1077 C PHE A 289 0.617 3.119 8.170 1.00 0.33 C ATOM 1078 O PHE A 289 0.131 4.246 8.078 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.393 1.682 7.719 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.379 2.673 7.173 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.142 3.294 5.960 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -3.527 3.001 7.875 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.029 4.219 5.454 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -4.418 3.928 7.375 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.234 4.472 6.162 1.00 0.50 C ATOM 0 H PHE A 289 0.339 0.048 8.174 1.00 0.31 H new ATOM 0 HA PHE A 289 0.151 2.215 6.296 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.667 0.688 7.365 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.479 1.668 8.805 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.250 3.051 5.402 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -3.727 2.526 8.824 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -2.812 4.743 4.535 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -5.273 4.219 7.966 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.998 5.099 5.727 1.00 0.50 H new ATOM 1095 N THR A 290 1.653 2.845 8.952 1.00 0.33 N ATOM 1096 CA THR A 290 2.180 3.792 9.912 1.00 0.41 C ATOM 1097 C THR A 290 2.994 4.911 9.260 1.00 0.38 C ATOM 1098 O THR A 290 3.427 5.840 9.937 1.00 0.57 O ATOM 1099 CB THR A 290 3.059 3.052 10.929 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.067 2.300 10.240 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.219 2.116 11.782 1.00 0.61 C ATOM 0 H THR A 290 2.150 1.954 8.934 1.00 0.33 H new ATOM 0 HA THR A 290 1.326 4.258 10.403 1.00 0.41 H new ATOM 0 HB THR A 290 3.532 3.788 11.580 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.627 2.909 9.715 1.00 0.50 H new ATOM 0 HG21 THR A 290 2.861 1.601 12.497 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.466 2.692 12.320 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.727 1.383 11.142 1.00 0.61 H new ATOM 1109 N HIS A 291 3.213 4.826 7.952 1.00 0.25 N ATOM 1110 CA HIS A 291 3.987 5.846 7.256 1.00 0.26 C ATOM 1111 C HIS A 291 3.643 5.855 5.774 1.00 0.23 C ATOM 1112 O HIS A 291 4.486 6.137 4.915 1.00 0.26 O ATOM 1113 CB HIS A 291 5.498 5.669 7.494 1.00 0.35 C ATOM 1114 CG HIS A 291 6.007 4.264 7.351 1.00 0.40 C ATOM 1115 ND1 HIS A 291 6.083 3.382 8.403 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.512 3.611 6.285 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.611 2.249 7.987 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.888 2.358 6.701 1.00 0.88 N ATOM 0 H HIS A 291 2.870 4.071 7.359 1.00 0.25 H new ATOM 0 HA HIS A 291 3.718 6.819 7.667 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.037 6.307 6.794 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.736 6.024 8.497 1.00 0.35 H new ATOM 0 HD2 HIS A 291 6.604 4.003 5.283 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.788 1.376 8.597 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.309 1.636 6.117 1.00 0.88 H new ATOM 1127 N VAL A 292 2.385 5.552 5.493 1.00 0.21 N ATOM 1128 CA VAL A 292 1.820 5.662 4.160 1.00 0.21 C ATOM 1129 C VAL A 292 0.431 6.287 4.241 1.00 0.24 C ATOM 1130 O VAL A 292 -0.247 6.166 5.262 1.00 0.32 O ATOM 1131 CB VAL A 292 1.720 4.289 3.478 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.101 3.710 3.258 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.881 3.342 4.305 1.00 0.51 C ATOM 0 H VAL A 292 1.722 5.219 6.193 1.00 0.21 H new ATOM 0 HA VAL A 292 2.481 6.293 3.566 1.00 0.21 H new ATOM 0 HB VAL A 292 1.236 4.421 2.510 1.00 0.23 H new ATOM 0 HG11 VAL A 292 3.015 2.737 2.774 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.680 4.381 2.623 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.604 3.594 4.218 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.823 2.376 3.804 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.337 3.215 5.287 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.122 3.752 4.421 1.00 0.51 H new ATOM 1143 N ARG A 293 0.019 6.967 3.185 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.286 7.609 3.152 1.00 0.24 C ATOM 1145 C ARG A 293 -2.144 7.019 2.056 1.00 0.24 C ATOM 1146 O ARG A 293 -1.940 7.282 0.885 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.125 9.102 2.930 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.247 9.771 3.976 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.873 9.701 5.360 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.029 10.320 6.384 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.086 10.015 7.684 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.916 9.072 8.122 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.701 10.644 8.546 1.00 0.74 N ATOM 0 H ARG A 293 0.571 7.090 2.336 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.778 7.438 4.110 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.696 9.272 1.942 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.108 9.572 2.936 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.731 9.289 3.993 1.00 0.38 H new ATOM 0 HG3 ARG A 293 -0.084 10.813 3.702 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.843 10.198 5.343 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.053 8.659 5.622 1.00 0.45 H new ATOM 0 HE ARG A 293 0.643 11.027 6.087 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.516 8.575 7.464 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.952 8.846 9.116 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.349 11.360 8.217 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.658 10.412 9.538 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.124 6.249 2.450 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.852 5.415 1.517 1.00 0.26 C ATOM 1169 C LEU A 294 -4.907 6.194 0.749 1.00 0.27 C ATOM 1170 O LEU A 294 -5.654 7.007 1.286 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.447 4.246 2.297 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.749 2.946 1.560 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -5.870 3.124 0.561 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.504 2.412 0.897 1.00 1.31 C ATOM 0 H LEU A 294 -3.442 6.179 3.417 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.171 5.037 0.755 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.762 4.011 3.112 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.376 4.591 2.750 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.085 2.213 2.294 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.059 2.178 0.054 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -6.773 3.444 1.081 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.587 3.879 -0.173 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -3.739 1.484 0.376 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.130 3.145 0.182 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -2.743 2.221 1.653 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.906 5.905 -0.528 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.746 6.520 -1.521 1.00 0.31 C ATOM 1188 C LEU A 295 -6.943 5.644 -1.848 1.00 0.36 C ATOM 1189 O LEU A 295 -7.112 5.211 -2.987 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.943 6.750 -2.777 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.141 8.036 -2.824 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.899 7.940 -1.952 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.786 8.325 -4.257 1.00 0.39 C ATOM 0 H LEU A 295 -4.286 5.197 -0.922 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.111 7.467 -1.123 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.258 5.912 -2.905 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.624 6.738 -3.628 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.739 8.856 -2.427 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.344 8.876 -2.005 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.193 7.751 -0.920 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.269 7.124 -2.305 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.208 9.248 -4.310 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.194 7.503 -4.658 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.699 8.434 -4.843 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.705 5.352 -0.816 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.876 4.462 -0.875 1.00 0.66 C ATOM 1207 C ASP A 296 -9.656 4.564 -2.188 1.00 0.86 C ATOM 1208 O ASP A 296 -10.074 5.645 -2.609 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.815 4.734 0.309 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.722 6.158 0.824 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -10.040 7.104 0.072 1.00 1.97 O ATOM 1212 OD2 ASP A 296 -9.302 6.336 1.989 1.00 1.84 O ATOM 0 H ASP A 296 -7.535 5.729 0.116 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.486 3.446 -0.819 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.842 4.529 0.006 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -9.578 4.044 1.119 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.825 3.411 -2.822 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.527 3.291 -4.083 1.00 0.87 C ATOM 1219 C GLN A 297 -11.697 2.327 -3.950 1.00 1.60 C ATOM 1220 O GLN A 297 -11.451 1.107 -3.858 1.00 2.38 O ATOM 1221 CB GLN A 297 -9.559 2.792 -5.154 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.574 3.847 -5.652 1.00 2.20 C ATOM 1223 CD GLN A 297 -9.201 4.913 -6.543 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -8.546 5.444 -7.441 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -10.458 5.253 -6.299 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.854 2.792 -3.958 1.00 2.17 O ATOM 0 H GLN A 297 -9.471 2.523 -2.466 1.00 0.62 H new ATOM 0 HA GLN A 297 -10.916 4.268 -4.369 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -8.997 1.948 -4.754 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.134 2.420 -6.002 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -8.113 4.333 -4.792 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -7.775 3.351 -6.204 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -10.974 4.794 -5.548 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -10.910 5.973 -6.862 1.00 3.77 H new TER 1235 GLN A 297