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 180:sc= -0.139 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -0.399 X(o=-0.54,f=-0.78) USER MOD Set 2.1: A 272 MET CE :methyl -153:sc= -0.222 (180deg=-0.794) USER MOD Set 2.2: A 273 SER OG : rot 180:sc= -0.775 USER MOD Set 3.1: A 255 THR OG1 : rot 180:sc= -0.655 USER MOD Set 3.2: A 286 HIS : no HE2:sc= -2.33 K(o=-3,f=-6.8!) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.28) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= -2.19! C(o=-2.2!,f=-5.1!) USER MOD Single : A 229 THR OG1 : rot 82:sc= 0.834 USER MOD Single : A 233 ASN : amide:sc= -2.54! C(o=-2.5!,f=-0.53!) USER MOD Single : A 235 GLN : amide:sc= -5.68! C(o=-5.7!,f=-5.5!) USER MOD Single : A 236 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.4) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.912 K(o=-0.91,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -115:sc= -3.18 (180deg=-9.46!) USER MOD Single : A 250 ASN : amide:sc= -2.15 K(o=-2.1,f=-3.5!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 LYS NZ :NH3+ 167:sc= 0.0298 (180deg=-0.199) USER MOD Single : A 268 THR OG1 : rot -27:sc= 0.038 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= 0.375 K(o=0.37,f=-14!) USER MOD Single : A 275 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.071) USER MOD Single : A 280 CYS SG : rot 92:sc= -0.172 USER MOD Single : A 281 ASN : amide:sc= -0.98 K(o=-0.98,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0188) USER MOD Single : A 297 GLN : amide:sc= -0.0319 K(o=-0.032,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -13.784 -5.929 1.402 1.00 6.89 N ATOM 2 CA GLY A 220 -13.807 -4.452 1.544 1.00 6.03 C ATOM 3 C GLY A 220 -15.197 -3.889 1.329 1.00 5.17 C ATOM 4 O GLY A 220 -15.972 -4.456 0.560 1.00 5.52 O ATOM 0 HA2 GLY A 220 -13.453 -4.177 2.537 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -13.119 -4.007 0.825 1.00 6.03 H new ATOM 10 N PRO A 221 -15.538 -2.763 1.981 1.00 4.25 N ATOM 11 CA PRO A 221 -16.886 -2.170 1.910 1.00 3.64 C ATOM 12 C PRO A 221 -17.224 -1.549 0.547 1.00 3.42 C ATOM 13 O PRO A 221 -18.315 -1.022 0.365 1.00 3.65 O ATOM 14 CB PRO A 221 -16.848 -1.089 2.992 1.00 3.01 C ATOM 15 CG PRO A 221 -15.412 -0.710 3.089 1.00 3.25 C ATOM 16 CD PRO A 221 -14.642 -1.980 2.859 1.00 4.10 C ATOM 0 HA PRO A 221 -17.656 -2.929 2.052 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -17.467 -0.234 2.721 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -17.224 -1.466 3.943 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -15.155 0.044 2.346 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -15.184 -0.285 4.066 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -13.680 -1.787 2.384 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -14.437 -2.502 3.794 1.00 4.10 H new ATOM 24 N TYR A 222 -16.278 -1.612 -0.389 1.00 3.36 N ATOM 25 CA TYR A 222 -16.468 -1.117 -1.760 1.00 3.25 C ATOM 26 C TYR A 222 -16.494 0.412 -1.839 1.00 2.52 C ATOM 27 O TYR A 222 -17.526 1.039 -1.602 1.00 2.61 O ATOM 28 CB TYR A 222 -17.718 -1.727 -2.414 1.00 3.76 C ATOM 29 CG TYR A 222 -17.457 -3.080 -3.048 1.00 4.63 C ATOM 30 CD1 TYR A 222 -17.333 -4.217 -2.259 1.00 5.31 C ATOM 31 CD2 TYR A 222 -17.360 -3.225 -4.425 1.00 5.08 C ATOM 32 CE1 TYR A 222 -17.120 -5.460 -2.824 1.00 6.23 C ATOM 33 CE2 TYR A 222 -17.143 -4.465 -4.999 1.00 6.03 C ATOM 34 CZ TYR A 222 -16.932 -5.544 -4.227 1.00 6.52 C ATOM 35 OH TYR A 222 -16.823 -6.818 -4.759 1.00 7.54 O ATOM 0 H TYR A 222 -15.353 -2.009 -0.221 1.00 3.36 H new ATOM 0 HA TYR A 222 -15.597 -1.446 -2.326 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -18.501 -1.829 -1.662 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -18.094 -1.042 -3.174 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -17.404 -4.128 -1.185 1.00 5.31 H new ATOM 0 HD2 TYR A 222 -17.455 -2.356 -5.059 1.00 5.08 H new ATOM 0 HE1 TYR A 222 -17.097 -6.348 -2.210 1.00 6.23 H new ATOM 0 HE2 TYR A 222 -17.143 -4.566 -6.074 1.00 6.03 H new ATOM 0 HH TYR A 222 -16.698 -6.758 -5.729 1.00 7.54 H new ATOM 45 N ALA A 223 -15.332 0.982 -2.205 1.00 2.13 N ATOM 46 CA ALA A 223 -15.103 2.433 -2.245 1.00 2.17 C ATOM 47 C ALA A 223 -15.813 3.136 -1.105 1.00 2.50 C ATOM 48 O ALA A 223 -16.601 4.066 -1.299 1.00 3.04 O ATOM 49 CB ALA A 223 -15.484 3.013 -3.591 1.00 2.26 C ATOM 0 H ALA A 223 -14.516 0.438 -2.485 1.00 2.13 H new ATOM 0 HA ALA A 223 -14.035 2.605 -2.111 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -15.303 4.088 -3.588 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -14.884 2.546 -4.372 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -16.540 2.823 -3.783 1.00 2.26 H new ATOM 55 N GLN A 224 -15.497 2.674 0.085 1.00 2.41 N ATOM 56 CA GLN A 224 -16.175 3.085 1.297 1.00 2.84 C ATOM 57 C GLN A 224 -15.137 3.222 2.397 1.00 2.61 C ATOM 58 O GLN A 224 -13.957 3.005 2.108 1.00 2.25 O ATOM 59 CB GLN A 224 -17.292 2.102 1.657 1.00 3.26 C ATOM 60 CG GLN A 224 -18.681 2.697 1.448 1.00 3.94 C ATOM 61 CD GLN A 224 -19.795 1.886 2.083 1.00 4.73 C ATOM 62 OE1 GLN A 224 -20.785 2.445 2.553 1.00 5.34 O ATOM 63 NE2 GLN A 224 -19.672 0.573 2.064 1.00 5.07 N ATOM 0 H GLN A 224 -14.753 1.994 0.241 1.00 2.41 H new ATOM 0 HA GLN A 224 -16.662 4.050 1.155 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -17.190 1.202 1.050 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -17.183 1.798 2.698 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -18.699 3.707 1.859 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -18.872 2.784 0.378 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -18.836 0.145 1.666 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -20.413 -0.014 2.447 1.00 5.07 H new ATOM 72 N PRO A 225 -15.524 3.602 3.645 1.00 3.00 N ATOM 73 CA PRO A 225 -14.575 3.830 4.735 1.00 2.88 C ATOM 74 C PRO A 225 -13.392 2.871 4.698 1.00 2.43 C ATOM 75 O PRO A 225 -13.563 1.651 4.629 1.00 2.62 O ATOM 76 CB PRO A 225 -15.447 3.533 5.945 1.00 3.40 C ATOM 77 CG PRO A 225 -16.767 4.107 5.579 1.00 4.04 C ATOM 78 CD PRO A 225 -16.905 3.908 4.088 1.00 3.72 C ATOM 0 HA PRO A 225 -14.124 4.822 4.708 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -15.515 2.462 6.136 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -15.047 3.993 6.849 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -17.573 3.607 6.116 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -16.819 5.164 5.839 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -17.590 3.093 3.855 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -17.294 4.801 3.599 1.00 3.72 H new ATOM 86 N SER A 226 -12.209 3.483 4.795 1.00 2.20 N ATOM 87 CA SER A 226 -10.931 2.946 4.313 1.00 2.08 C ATOM 88 C SER A 226 -10.788 1.423 4.344 1.00 1.74 C ATOM 89 O SER A 226 -11.237 0.736 5.264 1.00 1.98 O ATOM 90 CB SER A 226 -9.777 3.596 5.083 1.00 2.61 C ATOM 91 OG SER A 226 -9.791 5.009 4.927 1.00 3.08 O ATOM 0 H SER A 226 -12.110 4.401 5.228 1.00 2.20 H new ATOM 0 HA SER A 226 -10.901 3.201 3.254 1.00 2.08 H new ATOM 0 HB2 SER A 226 -9.853 3.343 6.140 1.00 2.61 H new ATOM 0 HB3 SER A 226 -8.827 3.197 4.727 1.00 2.61 H new ATOM 0 HG SER A 226 -9.046 5.401 5.429 1.00 3.08 H new ATOM 97 N ILE A 227 -10.062 0.943 3.336 1.00 1.37 N ATOM 98 CA ILE A 227 -9.917 -0.477 3.036 1.00 1.12 C ATOM 99 C ILE A 227 -9.009 -1.201 4.048 1.00 1.27 C ATOM 100 O ILE A 227 -8.687 -2.375 3.879 1.00 1.47 O ATOM 101 CB ILE A 227 -9.345 -0.639 1.597 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.839 -1.945 0.963 1.00 1.20 C ATOM 103 CG2 ILE A 227 -7.824 -0.585 1.606 1.00 1.14 C ATOM 104 CD1 ILE A 227 -9.426 -2.116 -0.483 1.00 1.47 C ATOM 0 H ILE A 227 -9.548 1.545 2.692 1.00 1.37 H new ATOM 0 HA ILE A 227 -10.903 -0.936 3.107 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.707 0.193 0.993 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.458 -2.786 1.542 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.927 -1.981 1.027 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.450 -0.701 0.589 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -7.496 0.374 2.006 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -7.435 -1.390 2.229 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -9.812 -3.062 -0.862 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -9.830 -1.296 -1.076 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -8.338 -2.114 -0.553 1.00 1.47 H new ATOM 116 N ASN A 228 -8.616 -0.506 5.105 1.00 1.52 N ATOM 117 CA ASN A 228 -7.704 -1.075 6.092 1.00 1.82 C ATOM 118 C ASN A 228 -8.473 -1.813 7.181 1.00 1.80 C ATOM 119 O ASN A 228 -9.447 -1.272 7.712 1.00 2.07 O ATOM 120 CB ASN A 228 -6.832 0.020 6.714 1.00 2.42 C ATOM 121 CG ASN A 228 -5.893 -0.527 7.775 1.00 3.09 C ATOM 122 OD1 ASN A 228 -4.820 -1.033 7.463 1.00 3.44 O ATOM 123 ND2 ASN A 228 -6.282 -0.411 9.035 1.00 3.83 N ATOM 0 H ASN A 228 -8.912 0.450 5.303 1.00 1.52 H new ATOM 0 HA ASN A 228 -7.059 -1.789 5.580 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -6.249 0.506 5.932 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -7.472 0.784 7.156 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -5.682 -0.749 9.787 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -7.182 0.016 9.254 1.00 3.83 H new ATOM 130 N THR A 229 -8.009 -3.042 7.487 1.00 1.66 N ATOM 131 CA THR A 229 -8.606 -3.968 8.477 1.00 1.67 C ATOM 132 C THR A 229 -9.122 -5.247 7.796 1.00 1.68 C ATOM 133 O THR A 229 -8.743 -6.350 8.198 1.00 2.22 O ATOM 134 CB THR A 229 -9.732 -3.358 9.351 1.00 1.80 C ATOM 135 OG1 THR A 229 -9.225 -2.249 10.112 1.00 1.91 O ATOM 136 CG2 THR A 229 -10.307 -4.399 10.301 1.00 1.88 C ATOM 0 H THR A 229 -7.181 -3.432 7.038 1.00 1.66 H new ATOM 0 HA THR A 229 -7.787 -4.201 9.158 1.00 1.67 H new ATOM 0 HB THR A 229 -10.523 -3.013 8.685 1.00 1.80 H new ATOM 0 HG1 THR A 229 -9.218 -1.444 9.553 1.00 1.91 H new ATOM 0 HG21 THR A 229 -11.095 -3.946 10.903 1.00 1.88 H new ATOM 0 HG22 THR A 229 -10.720 -5.228 9.726 1.00 1.88 H new ATOM 0 HG23 THR A 229 -9.518 -4.770 10.955 1.00 1.88 H new ATOM 144 N PRO A 230 -10.012 -5.133 6.782 1.00 1.34 N ATOM 145 CA PRO A 230 -10.467 -6.280 5.990 1.00 1.46 C ATOM 146 C PRO A 230 -9.320 -7.132 5.447 1.00 1.44 C ATOM 147 O PRO A 230 -8.263 -6.619 5.071 1.00 1.32 O ATOM 148 CB PRO A 230 -11.235 -5.645 4.823 1.00 1.46 C ATOM 149 CG PRO A 230 -10.990 -4.179 4.916 1.00 1.48 C ATOM 150 CD PRO A 230 -10.691 -3.905 6.354 1.00 1.35 C ATOM 0 HA PRO A 230 -11.062 -6.958 6.601 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.887 -6.038 3.868 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.300 -5.867 4.891 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -10.156 -3.881 4.280 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -11.862 -3.615 4.584 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -10.056 -3.028 6.475 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -11.599 -3.723 6.929 1.00 1.35 H new ATOM 158 N LEU A 231 -9.553 -8.436 5.401 1.00 1.78 N ATOM 159 CA LEU A 231 -8.589 -9.382 4.852 1.00 1.82 C ATOM 160 C LEU A 231 -8.502 -9.219 3.327 1.00 1.52 C ATOM 161 O LEU A 231 -9.281 -8.459 2.744 1.00 1.52 O ATOM 162 CB LEU A 231 -8.985 -10.819 5.232 1.00 2.34 C ATOM 163 CG LEU A 231 -8.718 -11.225 6.690 1.00 2.79 C ATOM 164 CD1 LEU A 231 -9.695 -10.552 7.639 1.00 3.30 C ATOM 165 CD2 LEU A 231 -8.790 -12.737 6.837 1.00 3.42 C ATOM 0 H LEU A 231 -10.412 -8.868 5.742 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.605 -9.177 5.273 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.048 -10.948 5.028 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -8.449 -11.508 4.579 1.00 2.34 H new ATOM 0 HG LEU A 231 -7.714 -10.892 6.954 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -9.479 -10.860 8.662 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -9.595 -9.470 7.557 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -10.713 -10.843 7.380 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -8.599 -13.011 7.875 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -9.782 -13.084 6.547 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -8.041 -13.201 6.195 1.00 3.42 H new ATOM 177 N PRO A 232 -7.561 -9.925 2.652 1.00 1.40 N ATOM 178 CA PRO A 232 -7.355 -9.779 1.205 1.00 1.28 C ATOM 179 C PRO A 232 -8.640 -9.931 0.393 1.00 1.55 C ATOM 180 O PRO A 232 -9.377 -10.912 0.523 1.00 1.84 O ATOM 181 CB PRO A 232 -6.374 -10.900 0.870 1.00 1.40 C ATOM 182 CG PRO A 232 -5.612 -11.110 2.129 1.00 1.45 C ATOM 183 CD PRO A 232 -6.596 -10.874 3.242 1.00 1.54 C ATOM 0 HA PRO A 232 -6.993 -8.782 0.955 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.896 -11.807 0.565 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.715 -10.620 0.048 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -5.202 -12.119 2.175 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.770 -10.421 2.197 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -7.081 -11.800 3.552 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.111 -10.457 4.125 1.00 1.54 H new ATOM 191 N ASN A 233 -8.873 -8.930 -0.442 1.00 1.58 N ATOM 192 CA ASN A 233 -10.074 -8.811 -1.256 1.00 2.01 C ATOM 193 C ASN A 233 -9.868 -7.620 -2.201 1.00 1.76 C ATOM 194 O ASN A 233 -8.852 -7.575 -2.896 1.00 2.31 O ATOM 195 CB ASN A 233 -11.308 -8.610 -0.358 1.00 2.67 C ATOM 196 CG ASN A 233 -12.629 -8.626 -1.112 1.00 3.38 C ATOM 197 OD1 ASN A 233 -13.552 -7.887 -0.764 1.00 3.96 O ATOM 198 ND2 ASN A 233 -12.736 -9.470 -2.127 1.00 3.82 N ATOM 0 H ASN A 233 -8.218 -8.160 -0.576 1.00 1.58 H new ATOM 0 HA ASN A 233 -10.247 -9.718 -1.835 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -11.324 -9.393 0.400 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -11.212 -7.660 0.167 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -13.607 -9.526 -2.654 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -11.947 -10.064 -2.382 1.00 3.82 H new ATOM 205 N LEU A 234 -10.787 -6.648 -2.184 1.00 1.61 N ATOM 206 CA LEU A 234 -10.681 -5.424 -2.951 1.00 1.90 C ATOM 207 C LEU A 234 -12.029 -4.781 -2.926 1.00 1.69 C ATOM 208 O LEU A 234 -13.051 -5.449 -3.074 1.00 1.91 O ATOM 209 CB LEU A 234 -10.202 -5.612 -4.399 1.00 2.77 C ATOM 210 CG LEU A 234 -11.002 -6.568 -5.296 1.00 3.77 C ATOM 211 CD1 LEU A 234 -12.215 -5.878 -5.911 1.00 4.30 C ATOM 212 CD2 LEU A 234 -10.104 -7.117 -6.385 1.00 4.49 C ATOM 0 H LEU A 234 -11.637 -6.701 -1.623 1.00 1.61 H new ATOM 0 HA LEU A 234 -9.912 -4.802 -2.492 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.190 -4.633 -4.878 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -9.171 -5.964 -4.368 1.00 2.77 H new ATOM 0 HG LEU A 234 -11.368 -7.387 -4.677 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -12.756 -6.585 -6.539 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.872 -5.521 -5.118 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -11.885 -5.034 -6.516 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -10.675 -7.795 -7.020 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.718 -6.295 -6.987 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -9.272 -7.657 -5.933 1.00 4.49 H new ATOM 224 N GLN A 235 -12.050 -3.518 -2.651 1.00 1.58 N ATOM 225 CA GLN A 235 -13.289 -2.858 -2.475 1.00 1.78 C ATOM 226 C GLN A 235 -13.641 -2.022 -3.712 1.00 1.59 C ATOM 227 O GLN A 235 -14.773 -1.593 -3.894 1.00 1.97 O ATOM 228 CB GLN A 235 -13.173 -2.105 -1.174 1.00 2.17 C ATOM 229 CG GLN A 235 -12.764 -0.656 -1.305 1.00 2.56 C ATOM 230 CD GLN A 235 -12.778 0.089 0.011 1.00 3.18 C ATOM 231 OE1 GLN A 235 -12.649 -0.505 1.077 1.00 3.71 O ATOM 232 NE2 GLN A 235 -12.892 1.399 -0.065 1.00 3.72 N ATOM 0 H GLN A 235 -11.224 -2.930 -2.545 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.138 -3.537 -2.395 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -14.133 -2.150 -0.659 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -12.447 -2.615 -0.541 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -11.763 -0.605 -1.733 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -13.435 -0.158 -2.004 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -12.997 1.850 -0.974 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -12.875 1.963 0.785 1.00 3.72 H new ATOM 241 N ASN A 236 -12.657 -1.807 -4.562 1.00 1.40 N ATOM 242 CA ASN A 236 -12.906 -1.366 -5.931 1.00 1.65 C ATOM 243 C ASN A 236 -12.003 -2.153 -6.862 1.00 1.69 C ATOM 244 O ASN A 236 -12.412 -2.600 -7.931 1.00 2.36 O ATOM 245 CB ASN A 236 -12.647 0.130 -6.103 1.00 2.09 C ATOM 246 CG ASN A 236 -12.868 0.598 -7.528 1.00 2.95 C ATOM 247 OD1 ASN A 236 -13.739 0.092 -8.237 1.00 3.67 O ATOM 248 ND2 ASN A 236 -12.073 1.560 -7.962 1.00 3.34 N ATOM 0 H ASN A 236 -11.671 -1.930 -4.333 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.955 -1.543 -6.168 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.303 0.688 -5.435 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.623 0.355 -5.805 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -12.169 1.909 -8.915 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -11.364 1.953 -7.344 1.00 3.34 H new ATOM 255 N GLY A 237 -10.769 -2.320 -6.424 1.00 1.32 N ATOM 256 CA GLY A 237 -9.822 -3.170 -7.103 1.00 1.67 C ATOM 257 C GLY A 237 -8.448 -2.944 -6.535 1.00 1.38 C ATOM 258 O GLY A 237 -7.976 -3.708 -5.693 1.00 1.70 O ATOM 0 H GLY A 237 -10.400 -1.868 -5.587 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.107 -4.216 -6.987 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.825 -2.955 -8.172 1.00 1.67 H new ATOM 262 N PRO A 238 -7.784 -1.885 -6.978 1.00 0.90 N ATOM 263 CA PRO A 238 -6.565 -1.404 -6.375 1.00 0.65 C ATOM 264 C PRO A 238 -6.823 -0.246 -5.442 1.00 0.50 C ATOM 265 O PRO A 238 -7.904 0.338 -5.430 1.00 0.76 O ATOM 266 CB PRO A 238 -5.797 -0.891 -7.572 1.00 0.65 C ATOM 267 CG PRO A 238 -6.855 -0.337 -8.467 1.00 0.96 C ATOM 268 CD PRO A 238 -8.144 -1.064 -8.142 1.00 0.88 C ATOM 0 HA PRO A 238 -6.061 -2.171 -5.788 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.075 -0.126 -7.286 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.238 -1.689 -8.060 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.968 0.736 -8.310 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.587 -0.479 -9.514 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.951 -0.369 -7.910 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.482 -1.677 -8.978 1.00 0.88 H new ATOM 276 N PHE A 239 -5.841 0.062 -4.646 1.00 0.37 N ATOM 277 CA PHE A 239 -5.803 1.336 -3.975 1.00 0.28 C ATOM 278 C PHE A 239 -4.411 1.887 -4.108 1.00 0.27 C ATOM 279 O PHE A 239 -3.483 1.165 -4.444 1.00 0.51 O ATOM 280 CB PHE A 239 -6.248 1.242 -2.496 1.00 0.34 C ATOM 281 CG PHE A 239 -5.841 -0.035 -1.837 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.456 -1.202 -2.213 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.866 -0.078 -0.861 1.00 0.35 C ATOM 284 CE1 PHE A 239 -6.116 -2.403 -1.639 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.518 -1.274 -0.274 1.00 0.35 C ATOM 286 CZ PHE A 239 -5.142 -2.439 -0.668 1.00 0.73 C ATOM 0 H PHE A 239 -5.052 -0.551 -4.443 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.518 2.012 -4.444 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.824 2.080 -1.942 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.332 1.341 -2.443 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -7.222 -1.176 -2.974 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.373 0.833 -0.556 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.610 -3.312 -1.948 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.758 -1.300 0.493 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.866 -3.379 -0.214 1.00 0.73 H new ATOM 296 N TYR A 240 -4.278 3.154 -3.888 1.00 0.16 N ATOM 297 CA TYR A 240 -3.001 3.813 -4.017 1.00 0.21 C ATOM 298 C TYR A 240 -2.603 4.319 -2.666 1.00 0.21 C ATOM 299 O TYR A 240 -3.399 4.928 -2.005 1.00 0.36 O ATOM 300 CB TYR A 240 -3.092 4.989 -4.994 1.00 0.25 C ATOM 301 CG TYR A 240 -3.498 4.600 -6.395 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.830 3.591 -7.067 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.536 5.250 -7.049 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.181 3.233 -8.352 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.897 4.897 -8.337 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.216 3.889 -8.983 1.00 0.45 C ATOM 307 OH TYR A 240 -4.565 3.539 -10.266 1.00 0.59 O ATOM 0 H TYR A 240 -5.044 3.769 -3.614 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.264 3.108 -4.402 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.809 5.713 -4.608 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -2.124 5.489 -5.034 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.019 3.074 -6.576 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.069 6.043 -6.545 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.648 2.443 -8.861 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.708 5.409 -8.833 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.314 4.096 -10.565 1.00 0.59 H new ATOM 317 N ALA A 241 -1.405 4.065 -2.226 1.00 0.17 N ATOM 318 CA ALA A 241 -0.998 4.609 -0.951 1.00 0.19 C ATOM 319 C ALA A 241 0.286 5.394 -1.114 1.00 0.15 C ATOM 320 O ALA A 241 1.317 4.845 -1.505 1.00 0.19 O ATOM 321 CB ALA A 241 -0.829 3.520 0.085 1.00 0.35 C ATOM 0 H ALA A 241 -0.706 3.502 -2.710 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.783 5.278 -0.598 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.522 3.963 1.032 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.775 2.995 0.219 1.00 0.35 H new ATOM 0 HB3 ALA A 241 -0.068 2.815 -0.249 1.00 0.35 H new ATOM 327 N ARG A 242 0.217 6.677 -0.826 1.00 0.16 N ATOM 328 CA ARG A 242 1.369 7.534 -0.933 1.00 0.16 C ATOM 329 C ARG A 242 2.259 7.353 0.276 1.00 0.14 C ATOM 330 O ARG A 242 1.874 7.631 1.407 1.00 0.23 O ATOM 331 CB ARG A 242 0.961 9.006 -1.095 1.00 0.29 C ATOM 332 CG ARG A 242 2.153 9.949 -1.079 1.00 0.33 C ATOM 333 CD ARG A 242 2.469 10.418 0.312 1.00 0.79 C ATOM 334 NE ARG A 242 1.409 11.263 0.862 1.00 1.19 N ATOM 335 CZ ARG A 242 1.429 12.596 0.811 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.385 13.219 0.131 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.483 13.308 1.411 1.00 2.05 N ATOM 0 H ARG A 242 -0.633 7.147 -0.514 1.00 0.16 H new ATOM 0 HA ARG A 242 1.924 7.251 -1.827 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.419 9.128 -2.033 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.276 9.279 -0.293 1.00 0.29 H new ATOM 0 HG2 ARG A 242 3.023 9.444 -1.500 1.00 0.33 H new ATOM 0 HG3 ARG A 242 1.945 10.809 -1.715 1.00 0.33 H new ATOM 0 HD2 ARG A 242 2.617 9.554 0.960 1.00 0.79 H new ATOM 0 HD3 ARG A 242 3.407 10.974 0.303 1.00 0.79 H new ATOM 0 HE ARG A 242 0.612 10.809 1.308 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.103 12.678 -0.351 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.401 14.238 0.091 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.267 12.836 1.916 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.506 14.327 1.367 1.00 2.05 H new ATOM 351 N VAL A 243 3.440 6.864 0.023 1.00 0.10 N ATOM 352 CA VAL A 243 4.449 6.743 1.038 1.00 0.14 C ATOM 353 C VAL A 243 5.048 8.104 1.352 1.00 0.11 C ATOM 354 O VAL A 243 5.651 8.745 0.489 1.00 0.15 O ATOM 355 CB VAL A 243 5.560 5.771 0.601 1.00 0.20 C ATOM 356 CG1 VAL A 243 6.011 6.047 -0.824 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.727 5.857 1.558 1.00 0.32 C ATOM 0 H VAL A 243 3.732 6.536 -0.898 1.00 0.10 H new ATOM 0 HA VAL A 243 3.976 6.344 1.935 1.00 0.14 H new ATOM 0 HB VAL A 243 5.156 4.759 0.625 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.796 5.343 -1.100 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.165 5.932 -1.502 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.396 7.065 -0.893 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.509 5.166 1.242 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.121 6.873 1.561 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.394 5.593 2.562 1.00 0.32 H new ATOM 367 N ILE A 244 4.861 8.564 2.573 1.00 0.13 N ATOM 368 CA ILE A 244 5.492 9.807 2.971 1.00 0.15 C ATOM 369 C ILE A 244 6.843 9.544 3.618 1.00 0.14 C ATOM 370 O ILE A 244 7.613 10.470 3.808 1.00 0.20 O ATOM 371 CB ILE A 244 4.673 10.682 3.954 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.937 9.837 4.994 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.711 11.586 3.204 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.677 9.204 4.464 1.00 0.76 C ATOM 0 H ILE A 244 4.294 8.111 3.290 1.00 0.13 H new ATOM 0 HA ILE A 244 5.582 10.361 2.037 1.00 0.15 H new ATOM 0 HB ILE A 244 5.380 11.311 4.494 1.00 0.25 H new ATOM 0 HG12 ILE A 244 4.605 9.054 5.355 1.00 0.37 H new ATOM 0 HG13 ILE A 244 3.688 10.463 5.851 1.00 0.37 H new ATOM 0 HG21 ILE A 244 3.148 12.189 3.916 1.00 0.32 H new ATOM 0 HG22 ILE A 244 4.272 12.241 2.537 1.00 0.32 H new ATOM 0 HG23 ILE A 244 3.021 10.978 2.619 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.204 8.619 5.253 1.00 0.76 H new ATOM 0 HD12 ILE A 244 1.992 9.983 4.129 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.922 8.552 3.626 1.00 0.76 H new ATOM 386 N GLN A 245 7.095 8.293 4.022 1.00 0.12 N ATOM 387 CA GLN A 245 8.397 7.905 4.582 1.00 0.14 C ATOM 388 C GLN A 245 8.700 6.436 4.341 1.00 0.14 C ATOM 389 O GLN A 245 8.099 5.553 4.952 1.00 0.17 O ATOM 390 CB GLN A 245 8.472 8.204 6.079 1.00 0.21 C ATOM 391 CG GLN A 245 8.550 9.684 6.385 1.00 0.33 C ATOM 392 CD GLN A 245 8.624 9.987 7.869 1.00 0.54 C ATOM 393 OE1 GLN A 245 8.161 11.032 8.321 1.00 1.19 O ATOM 394 NE2 GLN A 245 9.189 9.074 8.643 1.00 1.06 N ATOM 0 H GLN A 245 6.417 7.533 3.972 1.00 0.12 H new ATOM 0 HA GLN A 245 9.148 8.502 4.064 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.596 7.783 6.572 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.345 7.705 6.500 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.426 10.104 5.891 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.677 10.182 5.963 1.00 0.33 H new ATOM 0 HE21 GLN A 245 9.563 8.218 8.233 1.00 1.06 H new ATOM 0 HE22 GLN A 245 9.251 9.226 9.650 1.00 1.06 H new ATOM 403 N LYS A 246 9.602 6.186 3.408 1.00 0.15 N ATOM 404 CA LYS A 246 10.114 4.849 3.163 1.00 0.16 C ATOM 405 C LYS A 246 11.624 4.896 3.002 1.00 0.22 C ATOM 406 O LYS A 246 12.206 5.969 2.837 1.00 0.29 O ATOM 407 CB LYS A 246 9.486 4.226 1.916 1.00 0.18 C ATOM 408 CG LYS A 246 8.911 2.836 2.143 1.00 0.20 C ATOM 409 CD LYS A 246 7.600 2.882 2.922 1.00 0.29 C ATOM 410 CE LYS A 246 6.528 2.017 2.283 1.00 0.28 C ATOM 411 NZ LYS A 246 6.041 2.584 1.000 1.00 0.36 N ATOM 0 H LYS A 246 9.999 6.902 2.800 1.00 0.15 H new ATOM 0 HA LYS A 246 9.851 4.230 4.021 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.694 4.881 1.554 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.239 4.173 1.130 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.745 2.351 1.181 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.635 2.228 2.686 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.774 2.547 3.945 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.248 3.912 2.979 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.926 1.017 2.109 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.690 1.911 2.972 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 5.040 2.850 1.096 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.601 3.426 0.758 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.140 1.874 0.247 1.00 0.36 H new ATOM 425 N ARG A 247 12.241 3.735 3.050 1.00 0.27 N ATOM 426 CA ARG A 247 13.648 3.598 2.725 1.00 0.37 C ATOM 427 C ARG A 247 13.714 3.060 1.313 1.00 0.27 C ATOM 428 O ARG A 247 12.682 2.662 0.781 1.00 0.21 O ATOM 429 CB ARG A 247 14.370 2.649 3.691 1.00 0.55 C ATOM 430 CG ARG A 247 14.077 1.174 3.458 1.00 0.69 C ATOM 431 CD ARG A 247 14.920 0.300 4.366 1.00 0.72 C ATOM 432 NE ARG A 247 14.430 -1.074 4.445 1.00 1.24 N ATOM 433 CZ ARG A 247 15.193 -2.141 4.219 1.00 1.29 C ATOM 434 NH1 ARG A 247 16.455 -1.987 3.838 1.00 1.33 N ATOM 435 NH2 ARG A 247 14.693 -3.360 4.359 1.00 2.10 N ATOM 0 H ARG A 247 11.785 2.861 3.314 1.00 0.27 H new ATOM 0 HA ARG A 247 14.148 4.563 2.813 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.444 2.812 3.606 1.00 0.55 H new ATOM 0 HB3 ARG A 247 14.089 2.906 4.712 1.00 0.55 H new ATOM 0 HG2 ARG A 247 13.020 0.977 3.637 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.276 0.921 2.417 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.948 0.294 4.004 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.937 0.733 5.366 1.00 0.72 H new ATOM 0 HE ARG A 247 13.450 -1.224 4.686 1.00 1.24 H new ATOM 0 HH11 ARG A 247 16.841 -1.050 3.718 1.00 1.33 H new ATOM 0 HH12 ARG A 247 17.039 -2.805 3.665 1.00 1.33 H new ATOM 0 HH21 ARG A 247 13.720 -3.483 4.641 1.00 2.10 H new ATOM 0 HH22 ARG A 247 15.281 -4.175 4.185 1.00 2.10 H new ATOM 449 N VAL A 248 14.877 3.077 0.684 1.00 0.32 N ATOM 450 CA VAL A 248 15.000 2.469 -0.631 1.00 0.31 C ATOM 451 C VAL A 248 15.627 1.078 -0.493 1.00 0.26 C ATOM 452 O VAL A 248 16.851 0.923 -0.517 1.00 0.30 O ATOM 453 CB VAL A 248 15.850 3.336 -1.587 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.657 2.892 -3.029 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.503 4.809 -1.433 1.00 1.18 C ATOM 0 H VAL A 248 15.732 3.495 1.051 1.00 0.32 H new ATOM 0 HA VAL A 248 14.001 2.388 -1.060 1.00 0.31 H new ATOM 0 HB VAL A 248 16.899 3.202 -1.323 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.264 3.515 -3.686 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.962 1.851 -3.133 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.607 2.992 -3.303 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.114 5.400 -2.116 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.449 4.961 -1.665 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.697 5.123 -0.408 1.00 1.18 H new ATOM 465 N PRO A 249 14.778 0.056 -0.300 1.00 0.20 N ATOM 466 CA PRO A 249 15.161 -1.328 -0.123 1.00 0.20 C ATOM 467 C PRO A 249 14.945 -2.156 -1.381 1.00 0.27 C ATOM 468 O PRO A 249 14.395 -1.670 -2.366 1.00 0.34 O ATOM 469 CB PRO A 249 14.203 -1.783 0.982 1.00 0.21 C ATOM 470 CG PRO A 249 13.074 -0.789 0.971 1.00 0.23 C ATOM 471 CD PRO A 249 13.339 0.152 -0.176 1.00 0.22 C ATOM 0 HA PRO A 249 16.219 -1.446 0.110 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.838 -2.793 0.794 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.702 -1.800 1.951 1.00 0.21 H new ATOM 0 HG2 PRO A 249 12.116 -1.293 0.845 1.00 0.23 H new ATOM 0 HG3 PRO A 249 13.027 -0.246 1.915 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.827 -0.157 -1.087 1.00 0.22 H new ATOM 0 HD3 PRO A 249 13.013 1.169 0.043 1.00 0.22 H new ATOM 479 N ASN A 250 15.401 -3.394 -1.372 1.00 0.31 N ATOM 480 CA ASN A 250 15.097 -4.279 -2.480 1.00 0.39 C ATOM 481 C ASN A 250 14.039 -5.299 -2.106 1.00 0.36 C ATOM 482 O ASN A 250 13.750 -5.530 -0.938 1.00 0.35 O ATOM 483 CB ASN A 250 16.335 -4.982 -3.052 1.00 0.51 C ATOM 484 CG ASN A 250 16.869 -6.171 -2.251 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.371 -7.127 -2.837 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.803 -6.134 -0.929 1.00 1.56 N ATOM 0 H ASN A 250 15.969 -3.802 -0.630 1.00 0.31 H new ATOM 0 HA ASN A 250 14.703 -3.636 -3.267 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.099 -5.326 -4.059 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.134 -4.246 -3.146 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.173 -6.909 -0.378 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.382 -5.331 -0.462 1.00 1.56 H new ATOM 493 N ALA A 251 13.489 -5.905 -3.132 1.00 0.43 N ATOM 494 CA ALA A 251 12.414 -6.890 -3.014 1.00 0.48 C ATOM 495 C ALA A 251 12.843 -8.149 -2.257 1.00 0.53 C ATOM 496 O ALA A 251 12.021 -9.017 -1.969 1.00 0.60 O ATOM 497 CB ALA A 251 11.893 -7.258 -4.395 1.00 0.59 C ATOM 0 H ALA A 251 13.775 -5.731 -4.096 1.00 0.43 H new ATOM 0 HA ALA A 251 11.618 -6.427 -2.430 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.093 -7.992 -4.298 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.509 -6.365 -4.889 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.703 -7.681 -4.989 1.00 0.59 H new ATOM 503 N TYR A 252 14.129 -8.272 -1.966 1.00 0.54 N ATOM 504 CA TYR A 252 14.629 -9.431 -1.253 1.00 0.65 C ATOM 505 C TYR A 252 14.779 -9.102 0.222 1.00 0.60 C ATOM 506 O TYR A 252 15.125 -9.957 1.038 1.00 0.69 O ATOM 507 CB TYR A 252 15.948 -9.919 -1.850 1.00 0.77 C ATOM 508 CG TYR A 252 15.794 -10.461 -3.255 1.00 1.63 C ATOM 509 CD1 TYR A 252 15.117 -11.652 -3.485 1.00 1.89 C ATOM 510 CD2 TYR A 252 16.307 -9.778 -4.348 1.00 2.46 C ATOM 511 CE1 TYR A 252 14.960 -12.150 -4.765 1.00 2.83 C ATOM 512 CE2 TYR A 252 16.153 -10.266 -5.633 1.00 3.46 C ATOM 513 CZ TYR A 252 15.479 -11.453 -5.835 1.00 3.61 C ATOM 514 OH TYR A 252 15.316 -11.942 -7.112 1.00 4.61 O ATOM 0 H TYR A 252 14.841 -7.585 -2.213 1.00 0.54 H new ATOM 0 HA TYR A 252 13.909 -10.243 -1.356 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.663 -9.096 -1.860 1.00 0.77 H new ATOM 0 HB3 TYR A 252 16.365 -10.696 -1.210 1.00 0.77 H new ATOM 0 HD1 TYR A 252 14.706 -12.199 -2.649 1.00 1.89 H new ATOM 0 HD2 TYR A 252 16.836 -8.849 -4.193 1.00 2.46 H new ATOM 0 HE1 TYR A 252 14.434 -13.079 -4.926 1.00 2.83 H new ATOM 0 HE2 TYR A 252 16.558 -9.721 -6.473 1.00 3.46 H new ATOM 0 HH TYR A 252 15.739 -11.332 -7.752 1.00 4.61 H new ATOM 524 N ASP A 253 14.504 -7.847 0.548 1.00 0.50 N ATOM 525 CA ASP A 253 14.453 -7.377 1.905 1.00 0.51 C ATOM 526 C ASP A 253 13.117 -7.762 2.499 1.00 0.48 C ATOM 527 O ASP A 253 12.197 -6.940 2.537 1.00 0.43 O ATOM 528 CB ASP A 253 14.555 -5.870 1.844 1.00 0.49 C ATOM 529 CG ASP A 253 15.891 -5.311 2.282 1.00 0.79 C ATOM 530 OD1 ASP A 253 16.243 -5.461 3.471 1.00 0.85 O ATOM 531 OD2 ASP A 253 16.615 -4.754 1.429 1.00 1.32 O ATOM 0 H ASP A 253 14.308 -7.123 -0.143 1.00 0.50 H new ATOM 0 HA ASP A 253 15.253 -7.802 2.511 1.00 0.51 H new ATOM 0 HB2 ASP A 253 14.358 -5.547 0.822 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.773 -5.440 2.470 1.00 0.49 H new ATOM 536 N LYS A 254 13.014 -8.990 2.989 1.00 0.55 N ATOM 537 CA LYS A 254 11.727 -9.634 3.111 1.00 0.55 C ATOM 538 C LYS A 254 11.112 -9.645 1.723 1.00 0.49 C ATOM 539 O LYS A 254 11.321 -10.586 0.959 1.00 0.54 O ATOM 540 CB LYS A 254 10.829 -8.937 4.147 1.00 0.57 C ATOM 541 CG LYS A 254 11.230 -9.242 5.585 1.00 0.73 C ATOM 542 CD LYS A 254 10.550 -8.327 6.596 1.00 1.32 C ATOM 543 CE LYS A 254 11.052 -6.895 6.493 1.00 1.62 C ATOM 544 NZ LYS A 254 10.523 -6.032 7.586 1.00 2.40 N ATOM 0 H LYS A 254 13.805 -9.552 3.305 1.00 0.55 H new ATOM 0 HA LYS A 254 11.839 -10.653 3.482 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.867 -7.860 3.986 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.796 -9.247 3.991 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.981 -10.278 5.815 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.311 -9.145 5.684 1.00 0.73 H new ATOM 0 HD2 LYS A 254 9.472 -8.346 6.435 1.00 1.32 H new ATOM 0 HD3 LYS A 254 10.729 -8.703 7.603 1.00 1.32 H new ATOM 0 HE2 LYS A 254 12.142 -6.891 6.524 1.00 1.62 H new ATOM 0 HE3 LYS A 254 10.759 -6.478 5.529 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 10.892 -5.066 7.475 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 9.484 -6.013 7.542 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 10.823 -6.413 8.506 1.00 2.40 H new ATOM 558 N THR A 255 10.379 -8.599 1.396 1.00 0.42 N ATOM 559 CA THR A 255 9.941 -8.378 0.026 1.00 0.39 C ATOM 560 C THR A 255 10.017 -6.907 -0.375 1.00 0.31 C ATOM 561 O THR A 255 9.616 -6.554 -1.463 1.00 0.32 O ATOM 562 CB THR A 255 8.517 -8.905 -0.185 1.00 0.47 C ATOM 563 OG1 THR A 255 7.681 -8.480 0.902 1.00 0.49 O ATOM 564 CG2 THR A 255 8.513 -10.421 -0.273 1.00 0.60 C ATOM 0 H THR A 255 10.072 -7.887 2.058 1.00 0.42 H new ATOM 0 HA THR A 255 10.626 -8.933 -0.615 1.00 0.39 H new ATOM 0 HB THR A 255 8.132 -8.503 -1.122 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.771 -8.816 0.765 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.493 -10.774 -0.423 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.134 -10.738 -1.111 1.00 0.60 H new ATOM 0 HG23 THR A 255 8.910 -10.840 0.652 1.00 0.60 H new ATOM 572 N ALA A 256 10.607 -6.100 0.494 1.00 0.26 N ATOM 573 CA ALA A 256 10.440 -4.636 0.526 1.00 0.21 C ATOM 574 C ALA A 256 10.229 -3.905 -0.806 1.00 0.17 C ATOM 575 O ALA A 256 10.969 -4.080 -1.774 1.00 0.21 O ATOM 576 CB ALA A 256 11.609 -4.024 1.256 1.00 0.23 C ATOM 0 H ALA A 256 11.234 -6.445 1.221 1.00 0.26 H new ATOM 0 HA ALA A 256 9.489 -4.496 1.040 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.493 -2.941 1.284 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.646 -4.412 2.274 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.534 -4.277 0.738 1.00 0.23 H new ATOM 582 N LEU A 257 9.198 -3.047 -0.791 1.00 0.14 N ATOM 583 CA LEU A 257 8.956 -2.053 -1.839 1.00 0.14 C ATOM 584 C LEU A 257 10.114 -1.074 -1.920 1.00 0.13 C ATOM 585 O LEU A 257 10.531 -0.532 -0.900 1.00 0.15 O ATOM 586 CB LEU A 257 7.696 -1.219 -1.535 1.00 0.15 C ATOM 587 CG LEU A 257 6.347 -1.830 -1.882 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.356 -2.423 -3.278 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.958 -2.855 -0.849 1.00 0.21 C ATOM 0 H LEU A 257 8.505 -3.026 -0.043 1.00 0.14 H new ATOM 0 HA LEU A 257 8.836 -2.604 -2.772 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.696 -0.987 -0.470 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.783 -0.272 -2.068 1.00 0.15 H new ATOM 0 HG LEU A 257 5.597 -1.039 -1.874 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.378 -2.852 -3.497 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.580 -1.641 -4.004 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.116 -3.202 -3.337 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.991 -3.285 -1.109 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.709 -3.644 -0.819 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.892 -2.379 0.129 1.00 0.21 H new ATOM 601 N ALA A 258 10.598 -0.808 -3.119 1.00 0.14 N ATOM 602 CA ALA A 258 11.618 0.212 -3.301 1.00 0.16 C ATOM 603 C ALA A 258 10.983 1.535 -3.710 1.00 0.17 C ATOM 604 O ALA A 258 10.651 1.745 -4.879 1.00 0.24 O ATOM 605 CB ALA A 258 12.635 -0.237 -4.330 1.00 0.22 C ATOM 0 H ALA A 258 10.306 -1.278 -3.976 1.00 0.14 H new ATOM 0 HA ALA A 258 12.134 0.361 -2.352 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.392 0.537 -4.455 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.110 -1.158 -3.994 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.135 -0.413 -5.283 1.00 0.22 H new ATOM 611 N LEU A 259 10.792 2.408 -2.728 1.00 0.13 N ATOM 612 CA LEU A 259 10.190 3.720 -2.946 1.00 0.15 C ATOM 613 C LEU A 259 10.596 4.660 -1.817 1.00 0.15 C ATOM 614 O LEU A 259 11.086 4.210 -0.787 1.00 0.18 O ATOM 615 CB LEU A 259 8.654 3.622 -3.074 1.00 0.20 C ATOM 616 CG LEU A 259 8.014 2.325 -2.563 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.276 2.136 -1.083 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.519 2.335 -2.831 1.00 0.55 C ATOM 0 H LEU A 259 11.050 2.227 -1.758 1.00 0.13 H new ATOM 0 HA LEU A 259 10.559 4.124 -3.889 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.211 4.459 -2.534 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.389 3.744 -4.124 1.00 0.20 H new ATOM 0 HG LEU A 259 8.466 1.491 -3.099 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.811 1.209 -0.747 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.351 2.088 -0.907 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.855 2.975 -0.529 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.077 1.409 -2.463 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.063 3.183 -2.319 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.342 2.421 -3.903 1.00 0.55 H new ATOM 630 N GLU A 260 10.378 5.953 -1.994 1.00 0.18 N ATOM 631 CA GLU A 260 10.878 6.937 -1.068 1.00 0.24 C ATOM 632 C GLU A 260 9.763 7.904 -0.687 1.00 0.20 C ATOM 633 O GLU A 260 8.599 7.699 -1.030 1.00 0.21 O ATOM 634 CB GLU A 260 12.081 7.670 -1.684 1.00 0.39 C ATOM 635 CG GLU A 260 11.762 9.031 -2.293 1.00 0.52 C ATOM 636 CD GLU A 260 12.941 9.618 -3.032 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.135 9.266 -4.214 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.669 10.441 -2.444 1.00 1.74 O ATOM 0 H GLU A 260 9.854 6.340 -2.778 1.00 0.18 H new ATOM 0 HA GLU A 260 11.218 6.445 -0.157 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.840 7.802 -0.913 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.517 7.036 -2.456 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.920 8.932 -2.978 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.453 9.716 -1.504 1.00 0.52 H new ATOM 645 N VAL A 261 10.119 8.911 0.065 1.00 0.33 N ATOM 646 CA VAL A 261 9.190 9.921 0.508 1.00 0.32 C ATOM 647 C VAL A 261 8.589 10.720 -0.631 1.00 0.22 C ATOM 648 O VAL A 261 9.301 11.340 -1.425 1.00 0.28 O ATOM 649 CB VAL A 261 9.912 10.849 1.468 1.00 0.43 C ATOM 650 CG1 VAL A 261 9.035 12.014 1.872 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.345 10.013 2.632 1.00 0.93 C ATOM 0 H VAL A 261 11.074 9.057 0.392 1.00 0.33 H new ATOM 0 HA VAL A 261 8.357 9.417 0.999 1.00 0.32 H new ATOM 0 HB VAL A 261 10.784 11.304 0.999 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.581 12.659 2.560 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.755 12.583 0.986 1.00 0.92 H new ATOM 0 HG13 VAL A 261 8.136 11.640 2.362 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.871 10.638 3.353 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.470 9.569 3.107 1.00 0.93 H new ATOM 0 HG23 VAL A 261 11.010 9.222 2.285 1.00 0.93 H new ATOM 661 N GLY A 262 7.268 10.692 -0.699 1.00 0.17 N ATOM 662 CA GLY A 262 6.559 11.507 -1.646 1.00 0.20 C ATOM 663 C GLY A 262 6.016 10.686 -2.782 1.00 0.22 C ATOM 664 O GLY A 262 5.378 11.213 -3.693 1.00 0.31 O ATOM 0 H GLY A 262 6.674 10.112 -0.107 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.740 12.021 -1.143 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.226 12.275 -2.037 1.00 0.20 H new ATOM 668 N GLU A 263 6.261 9.391 -2.719 1.00 0.16 N ATOM 669 CA GLU A 263 5.936 8.506 -3.806 1.00 0.18 C ATOM 670 C GLU A 263 4.609 7.815 -3.548 1.00 0.15 C ATOM 671 O GLU A 263 3.982 8.036 -2.520 1.00 0.19 O ATOM 672 CB GLU A 263 7.072 7.506 -3.960 1.00 0.23 C ATOM 673 CG GLU A 263 8.433 8.183 -3.947 1.00 0.26 C ATOM 674 CD GLU A 263 8.725 8.953 -5.227 1.00 0.61 C ATOM 675 OE1 GLU A 263 7.786 9.528 -5.818 1.00 1.04 O ATOM 676 OE2 GLU A 263 9.898 8.991 -5.651 1.00 1.02 O ATOM 0 H GLU A 263 6.689 8.931 -1.915 1.00 0.16 H new ATOM 0 HA GLU A 263 5.825 9.066 -4.734 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.023 6.775 -3.153 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.949 6.958 -4.894 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.485 8.865 -3.099 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.206 7.429 -3.798 1.00 0.26 H new ATOM 683 N LEU A 264 4.189 6.979 -4.470 1.00 0.14 N ATOM 684 CA LEU A 264 2.901 6.315 -4.365 1.00 0.13 C ATOM 685 C LEU A 264 3.064 4.838 -4.685 1.00 0.15 C ATOM 686 O LEU A 264 4.025 4.441 -5.345 1.00 0.24 O ATOM 687 CB LEU A 264 1.906 6.966 -5.338 1.00 0.15 C ATOM 688 CG LEU A 264 0.456 6.488 -5.243 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.242 7.120 -4.052 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.295 6.801 -6.530 1.00 0.18 C ATOM 0 H LEU A 264 4.721 6.739 -5.307 1.00 0.14 H new ATOM 0 HA LEU A 264 2.517 6.416 -3.350 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.923 8.044 -5.175 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.258 6.792 -6.355 1.00 0.15 H new ATOM 0 HG LEU A 264 0.462 5.407 -5.101 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.272 6.766 -4.004 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.280 6.844 -3.136 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.236 8.205 -4.160 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.325 6.454 -6.444 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.288 7.877 -6.703 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.189 6.296 -7.366 1.00 0.18 H new ATOM 702 N VAL A 265 2.138 4.027 -4.215 1.00 0.14 N ATOM 703 CA VAL A 265 2.202 2.603 -4.448 1.00 0.15 C ATOM 704 C VAL A 265 0.806 2.096 -4.763 1.00 0.15 C ATOM 705 O VAL A 265 -0.183 2.747 -4.423 1.00 0.27 O ATOM 706 CB VAL A 265 2.767 1.860 -3.215 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.687 1.638 -2.178 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.390 0.541 -3.609 1.00 0.41 C ATOM 0 H VAL A 265 1.332 4.332 -3.669 1.00 0.14 H new ATOM 0 HA VAL A 265 2.871 2.411 -5.287 1.00 0.15 H new ATOM 0 HB VAL A 265 3.544 2.489 -2.780 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.108 1.114 -1.320 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.289 2.600 -1.856 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.885 1.040 -2.610 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.778 0.042 -2.721 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.637 -0.091 -4.080 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.205 0.719 -4.311 1.00 0.41 H new ATOM 718 N LYS A 266 0.719 0.954 -5.406 1.00 0.13 N ATOM 719 CA LYS A 266 -0.563 0.339 -5.655 1.00 0.15 C ATOM 720 C LYS A 266 -0.607 -0.962 -4.865 1.00 0.13 C ATOM 721 O LYS A 266 0.031 -1.954 -5.201 1.00 0.14 O ATOM 722 CB LYS A 266 -0.830 0.186 -7.184 1.00 0.24 C ATOM 723 CG LYS A 266 -0.560 -1.179 -7.828 1.00 0.85 C ATOM 724 CD LYS A 266 -1.680 -2.184 -7.555 1.00 0.49 C ATOM 725 CE LYS A 266 -1.771 -3.249 -8.640 1.00 0.82 C ATOM 726 NZ LYS A 266 -0.478 -3.947 -8.866 1.00 1.32 N ATOM 0 H LYS A 266 1.519 0.434 -5.765 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.384 0.967 -5.310 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.873 0.442 -7.368 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.224 0.927 -7.705 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -0.443 -1.053 -8.904 1.00 0.85 H new ATOM 0 HG3 LYS A 266 0.382 -1.577 -7.449 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.510 -2.663 -6.591 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.631 -1.656 -7.485 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -2.531 -3.980 -8.364 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -2.098 -2.787 -9.571 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.639 -4.797 -9.443 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 0.178 -3.310 -9.362 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -0.068 -4.223 -7.951 1.00 1.32 H new ATOM 740 N VAL A 267 -1.303 -0.920 -3.752 1.00 0.16 N ATOM 741 CA VAL A 267 -1.356 -2.046 -2.863 1.00 0.16 C ATOM 742 C VAL A 267 -2.387 -3.051 -3.367 1.00 0.17 C ATOM 743 O VAL A 267 -3.580 -2.766 -3.413 1.00 0.25 O ATOM 744 CB VAL A 267 -1.719 -1.623 -1.422 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.492 -2.760 -0.468 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.940 -0.392 -0.984 1.00 0.63 C ATOM 0 H VAL A 267 -1.842 -0.110 -3.444 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.365 -2.499 -2.844 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.777 -1.362 -1.411 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.753 -2.445 0.542 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.115 -3.607 -0.756 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.443 -3.055 -0.497 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.223 -0.126 0.034 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.128 -0.606 -1.020 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.166 0.439 -1.652 1.00 0.63 H new ATOM 756 N THR A 268 -1.906 -4.204 -3.781 1.00 0.15 N ATOM 757 CA THR A 268 -2.755 -5.283 -4.229 1.00 0.19 C ATOM 758 C THR A 268 -3.211 -6.145 -3.045 1.00 0.22 C ATOM 759 O THR A 268 -4.146 -6.941 -3.162 1.00 0.34 O ATOM 760 CB THR A 268 -2.004 -6.147 -5.274 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.763 -7.312 -5.621 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.623 -6.553 -4.761 1.00 0.29 C ATOM 0 H THR A 268 -0.909 -4.418 -3.816 1.00 0.15 H new ATOM 0 HA THR A 268 -3.643 -4.857 -4.696 1.00 0.19 H new ATOM 0 HB THR A 268 -1.875 -5.539 -6.170 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.346 -7.558 -4.872 1.00 0.32 H new ATOM 0 HG21 THR A 268 -0.119 -7.158 -5.514 1.00 0.29 H new ATOM 0 HG22 THR A 268 -0.033 -5.659 -4.559 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.731 -7.132 -3.844 1.00 0.29 H new ATOM 770 N LYS A 269 -2.567 -5.962 -1.894 1.00 0.18 N ATOM 771 CA LYS A 269 -2.840 -6.779 -0.724 1.00 0.20 C ATOM 772 C LYS A 269 -3.401 -5.944 0.411 1.00 0.22 C ATOM 773 O LYS A 269 -2.696 -5.129 0.968 1.00 0.35 O ATOM 774 CB LYS A 269 -1.545 -7.453 -0.255 1.00 0.23 C ATOM 775 CG LYS A 269 -1.726 -8.363 0.952 1.00 0.40 C ATOM 776 CD LYS A 269 -1.436 -9.818 0.619 1.00 1.55 C ATOM 777 CE LYS A 269 -2.351 -10.335 -0.475 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.167 -11.788 -0.716 1.00 2.84 N ATOM 0 H LYS A 269 -1.850 -5.251 -1.751 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.579 -7.530 -1.002 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -1.131 -8.035 -1.078 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.814 -6.683 -0.011 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -1.065 -8.036 1.754 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.747 -8.273 1.324 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.398 -9.919 0.303 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.558 -10.428 1.514 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.388 -10.142 -0.201 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.158 -9.788 -1.398 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.811 -12.099 -1.471 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.184 -11.971 -1.003 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -2.376 -12.314 0.156 1.00 2.84 H new ATOM 792 N ILE A 270 -4.665 -6.130 0.753 1.00 0.33 N ATOM 793 CA ILE A 270 -5.175 -5.547 1.985 1.00 0.39 C ATOM 794 C ILE A 270 -4.860 -6.479 3.139 1.00 0.55 C ATOM 795 O ILE A 270 -4.497 -7.639 2.922 1.00 0.73 O ATOM 796 CB ILE A 270 -6.693 -5.238 1.984 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.501 -6.245 1.155 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.932 -3.825 1.499 1.00 1.09 C ATOM 799 CD1 ILE A 270 -7.460 -5.992 -0.341 1.00 1.90 C ATOM 0 H ILE A 270 -5.343 -6.666 0.211 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.677 -4.583 2.087 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.046 -5.331 3.011 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.123 -7.248 1.353 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -8.539 -6.223 1.488 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -8.002 -3.616 1.501 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.423 -3.123 2.159 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.543 -3.717 0.486 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -8.056 -6.747 -0.854 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -7.866 -5.003 -0.554 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -6.429 -6.044 -0.691 1.00 1.90 H new ATOM 811 N ASN A 271 -4.996 -5.986 4.356 1.00 0.60 N ATOM 812 CA ASN A 271 -4.610 -6.761 5.521 1.00 0.82 C ATOM 813 C ASN A 271 -5.252 -6.196 6.782 1.00 0.70 C ATOM 814 O ASN A 271 -5.904 -5.151 6.747 1.00 0.87 O ATOM 815 CB ASN A 271 -3.088 -6.763 5.666 1.00 1.17 C ATOM 816 CG ASN A 271 -2.572 -5.486 6.288 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.277 -5.442 7.478 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.498 -4.429 5.499 1.00 1.88 N ATOM 0 H ASN A 271 -5.368 -5.059 4.563 1.00 0.60 H new ATOM 0 HA ASN A 271 -4.959 -7.785 5.385 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -2.784 -7.612 6.278 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -2.632 -6.898 4.685 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.186 -3.533 5.874 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.753 -4.509 4.515 1.00 1.88 H new ATOM 825 N MET A 272 -5.023 -6.875 7.894 1.00 0.81 N ATOM 826 CA MET A 272 -5.670 -6.544 9.158 1.00 0.97 C ATOM 827 C MET A 272 -4.927 -5.473 9.950 1.00 1.02 C ATOM 828 O MET A 272 -5.548 -4.652 10.622 1.00 1.22 O ATOM 829 CB MET A 272 -5.778 -7.797 10.020 1.00 1.24 C ATOM 830 CG MET A 272 -4.450 -8.520 10.179 1.00 1.30 C ATOM 831 SD MET A 272 -4.466 -9.736 11.510 1.00 2.03 S ATOM 832 CE MET A 272 -4.661 -8.666 12.934 1.00 2.52 C ATOM 0 H MET A 272 -4.386 -7.669 7.949 1.00 0.81 H new ATOM 0 HA MET A 272 -6.654 -6.147 8.909 1.00 0.97 H new ATOM 0 HB2 MET A 272 -6.157 -7.523 11.004 1.00 1.24 H new ATOM 0 HB3 MET A 272 -6.505 -8.476 9.576 1.00 1.24 H new ATOM 0 HG2 MET A 272 -4.199 -9.018 9.242 1.00 1.30 H new ATOM 0 HG3 MET A 272 -3.665 -7.789 10.372 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.226 -9.145 13.811 1.00 2.52 H new ATOM 0 HE2 MET A 272 -4.154 -7.719 12.749 1.00 2.52 H new ATOM 0 HE3 MET A 272 -5.721 -8.482 13.109 1.00 2.52 H new ATOM 842 N SER A 273 -3.611 -5.482 9.876 1.00 0.93 N ATOM 843 CA SER A 273 -2.795 -4.700 10.804 1.00 1.02 C ATOM 844 C SER A 273 -2.395 -3.345 10.226 1.00 0.91 C ATOM 845 O SER A 273 -1.941 -2.462 10.951 1.00 1.14 O ATOM 846 CB SER A 273 -1.541 -5.493 11.164 1.00 1.14 C ATOM 847 OG SER A 273 -1.851 -6.859 11.386 1.00 1.50 O ATOM 0 H SER A 273 -3.079 -6.017 9.189 1.00 0.93 H new ATOM 0 HA SER A 273 -3.396 -4.510 11.693 1.00 1.02 H new ATOM 0 HB2 SER A 273 -0.809 -5.408 10.360 1.00 1.14 H new ATOM 0 HB3 SER A 273 -1.083 -5.070 12.058 1.00 1.14 H new ATOM 0 HG SER A 273 -1.032 -7.347 11.613 1.00 1.50 H new ATOM 853 N GLY A 274 -2.563 -3.183 8.928 1.00 0.64 N ATOM 854 CA GLY A 274 -2.102 -1.981 8.282 1.00 0.61 C ATOM 855 C GLY A 274 -0.797 -2.206 7.562 1.00 0.49 C ATOM 856 O GLY A 274 -0.225 -1.284 7.004 1.00 0.57 O ATOM 0 H GLY A 274 -3.010 -3.862 8.311 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -2.855 -1.636 7.573 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -1.978 -1.193 9.024 1.00 0.61 H new ATOM 860 N GLN A 275 -0.338 -3.448 7.535 1.00 0.41 N ATOM 861 CA GLN A 275 0.941 -3.747 6.923 1.00 0.40 C ATOM 862 C GLN A 275 0.710 -4.591 5.690 1.00 0.32 C ATOM 863 O GLN A 275 0.774 -5.822 5.723 1.00 0.41 O ATOM 864 CB GLN A 275 1.884 -4.444 7.905 1.00 0.56 C ATOM 865 CG GLN A 275 3.300 -4.588 7.373 1.00 0.69 C ATOM 866 CD GLN A 275 4.293 -4.974 8.448 1.00 0.76 C ATOM 867 OE1 GLN A 275 5.290 -5.646 8.178 1.00 1.36 O ATOM 868 NE2 GLN A 275 4.043 -4.533 9.671 1.00 0.81 N ATOM 0 H GLN A 275 -0.827 -4.254 7.925 1.00 0.41 H new ATOM 0 HA GLN A 275 1.425 -2.814 6.635 1.00 0.40 H new ATOM 0 HB2 GLN A 275 1.908 -3.881 8.838 1.00 0.56 H new ATOM 0 HB3 GLN A 275 1.488 -5.432 8.140 1.00 0.56 H new ATOM 0 HG2 GLN A 275 3.313 -5.341 6.585 1.00 0.69 H new ATOM 0 HG3 GLN A 275 3.610 -3.647 6.919 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.206 -3.979 9.852 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.688 -4.747 10.432 1.00 0.81 H new ATOM 877 N TRP A 276 0.404 -3.905 4.609 1.00 0.22 N ATOM 878 CA TRP A 276 -0.015 -4.548 3.388 1.00 0.17 C ATOM 879 C TRP A 276 1.151 -4.768 2.456 1.00 0.15 C ATOM 880 O TRP A 276 2.271 -4.343 2.730 1.00 0.19 O ATOM 881 CB TRP A 276 -1.070 -3.705 2.673 1.00 0.18 C ATOM 882 CG TRP A 276 -1.188 -2.287 3.150 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.183 -1.370 3.288 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.396 -1.611 3.512 1.00 0.28 C ATOM 885 NE1 TRP A 276 -0.690 -0.183 3.753 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.047 -0.302 3.886 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.738 -1.993 3.562 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -2.990 0.629 4.305 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.676 -1.067 3.975 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.298 0.230 4.340 1.00 0.47 C ATOM 0 H TRP A 276 0.440 -2.887 4.555 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.438 -5.515 3.659 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.842 -3.695 1.607 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.039 -4.191 2.787 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.857 -1.553 3.064 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.144 0.652 3.965 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.037 -2.993 3.283 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -2.701 1.629 4.592 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.718 -1.348 4.017 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.056 0.932 4.656 1.00 0.47 H new ATOM 901 N GLU A 277 0.875 -5.418 1.343 1.00 0.12 N ATOM 902 CA GLU A 277 1.872 -5.623 0.338 1.00 0.12 C ATOM 903 C GLU A 277 1.643 -4.657 -0.792 1.00 0.11 C ATOM 904 O GLU A 277 0.567 -4.624 -1.359 1.00 0.12 O ATOM 905 CB GLU A 277 1.808 -7.040 -0.201 1.00 0.14 C ATOM 906 CG GLU A 277 2.399 -8.075 0.728 1.00 0.19 C ATOM 907 CD GLU A 277 2.545 -9.417 0.049 1.00 1.21 C ATOM 908 OE1 GLU A 277 3.514 -9.600 -0.715 1.00 2.07 O ATOM 909 OE2 GLU A 277 1.686 -10.294 0.261 1.00 1.55 O ATOM 0 H GLU A 277 -0.040 -5.811 1.121 1.00 0.12 H new ATOM 0 HA GLU A 277 2.854 -5.460 0.783 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.767 -7.296 -0.400 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.334 -7.080 -1.155 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.374 -7.736 1.077 1.00 0.19 H new ATOM 0 HG3 GLU A 277 1.764 -8.179 1.608 1.00 0.19 H new ATOM 916 N GLY A 278 2.658 -3.911 -1.140 1.00 0.13 N ATOM 917 CA GLY A 278 2.519 -2.932 -2.191 1.00 0.12 C ATOM 918 C GLY A 278 3.119 -3.405 -3.472 1.00 0.12 C ATOM 919 O GLY A 278 3.856 -4.389 -3.504 1.00 0.15 O ATOM 0 H GLY A 278 3.584 -3.960 -0.716 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.463 -2.711 -2.344 1.00 0.12 H new ATOM 0 HA3 GLY A 278 2.999 -2.002 -1.887 1.00 0.12 H new ATOM 923 N GLU A 279 2.783 -2.714 -4.527 1.00 0.11 N ATOM 924 CA GLU A 279 3.459 -2.881 -5.784 1.00 0.14 C ATOM 925 C GLU A 279 3.723 -1.509 -6.374 1.00 0.17 C ATOM 926 O GLU A 279 2.795 -0.735 -6.595 1.00 0.20 O ATOM 927 CB GLU A 279 2.635 -3.712 -6.758 1.00 0.20 C ATOM 928 CG GLU A 279 3.404 -4.071 -8.015 1.00 0.31 C ATOM 929 CD GLU A 279 2.500 -4.529 -9.132 1.00 1.08 C ATOM 930 OE1 GLU A 279 2.052 -3.668 -9.922 1.00 2.07 O ATOM 931 OE2 GLU A 279 2.212 -5.737 -9.209 1.00 1.27 O ATOM 0 H GLU A 279 2.035 -2.021 -4.540 1.00 0.11 H new ATOM 0 HA GLU A 279 4.395 -3.412 -5.612 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.308 -4.626 -6.263 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.737 -3.159 -7.032 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.977 -3.205 -8.347 1.00 0.31 H new ATOM 0 HG3 GLU A 279 4.122 -4.859 -7.786 1.00 0.31 H new ATOM 938 N CYS A 280 4.978 -1.205 -6.613 1.00 0.20 N ATOM 939 CA CYS A 280 5.340 0.086 -7.153 1.00 0.27 C ATOM 940 C CYS A 280 6.074 -0.095 -8.461 1.00 0.29 C ATOM 941 O CYS A 280 7.283 -0.339 -8.479 1.00 0.33 O ATOM 942 CB CYS A 280 6.204 0.866 -6.158 1.00 0.39 C ATOM 943 SG CYS A 280 6.643 2.539 -6.694 1.00 0.51 S ATOM 0 H CYS A 280 5.764 -1.832 -6.443 1.00 0.20 H new ATOM 0 HA CYS A 280 4.430 0.659 -7.332 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.673 0.930 -5.208 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.120 0.305 -5.974 1.00 0.39 H new ATOM 0 HG CYS A 280 5.761 3.383 -6.248 1.00 0.51 H new ATOM 949 N ASN A 281 5.318 -0.004 -9.545 1.00 0.37 N ATOM 950 CA ASN A 281 5.857 -0.107 -10.893 1.00 0.49 C ATOM 951 C ASN A 281 6.695 -1.367 -11.032 1.00 0.45 C ATOM 952 O ASN A 281 7.757 -1.369 -11.655 1.00 0.53 O ATOM 953 CB ASN A 281 6.674 1.136 -11.253 1.00 0.63 C ATOM 954 CG ASN A 281 5.879 2.426 -11.102 1.00 0.80 C ATOM 955 OD1 ASN A 281 6.455 3.491 -10.898 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.551 2.339 -11.184 1.00 0.97 N ATOM 0 H ASN A 281 4.309 0.144 -9.514 1.00 0.37 H new ATOM 0 HA ASN A 281 5.023 -0.170 -11.592 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.558 1.182 -10.616 1.00 0.63 H new ATOM 0 HB3 ASN A 281 7.026 1.049 -12.281 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.977 3.176 -11.076 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.109 1.436 -11.355 1.00 0.97 H new ATOM 963 N GLY A 282 6.186 -2.444 -10.457 1.00 0.37 N ATOM 964 CA GLY A 282 6.837 -3.723 -10.561 1.00 0.39 C ATOM 965 C GLY A 282 7.536 -4.156 -9.293 1.00 0.34 C ATOM 966 O GLY A 282 7.826 -5.341 -9.127 1.00 0.46 O ATOM 0 H GLY A 282 5.322 -2.450 -9.914 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.097 -4.476 -10.832 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.565 -3.685 -11.371 1.00 0.39 H new ATOM 970 N LYS A 283 7.802 -3.231 -8.382 1.00 0.25 N ATOM 971 CA LYS A 283 8.342 -3.618 -7.100 1.00 0.23 C ATOM 972 C LYS A 283 7.212 -4.065 -6.207 1.00 0.14 C ATOM 973 O LYS A 283 6.155 -3.458 -6.197 1.00 0.17 O ATOM 974 CB LYS A 283 9.112 -2.472 -6.456 1.00 0.33 C ATOM 975 CG LYS A 283 10.217 -1.955 -7.350 1.00 0.74 C ATOM 976 CD LYS A 283 10.273 -0.443 -7.326 1.00 0.61 C ATOM 977 CE LYS A 283 11.389 0.085 -8.205 1.00 1.28 C ATOM 978 NZ LYS A 283 11.093 -0.094 -9.650 1.00 1.93 N ATOM 0 H LYS A 283 7.655 -2.230 -8.508 1.00 0.25 H new ATOM 0 HA LYS A 283 9.043 -4.440 -7.244 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.424 -1.659 -6.224 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.538 -2.808 -5.511 1.00 0.33 H new ATOM 0 HG2 LYS A 283 11.174 -2.363 -7.024 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.055 -2.300 -8.371 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.319 -0.037 -7.664 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.421 -0.099 -6.302 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.545 1.143 -7.996 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.318 -0.429 -7.959 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.832 0.370 -10.216 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 11.070 -1.109 -9.876 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 10.170 0.331 -9.871 1.00 1.93 H new ATOM 992 N ARG A 284 7.437 -5.130 -5.487 1.00 0.16 N ATOM 993 CA ARG A 284 6.453 -5.673 -4.579 1.00 0.12 C ATOM 994 C ARG A 284 7.047 -5.618 -3.181 1.00 0.13 C ATOM 995 O ARG A 284 8.193 -5.217 -3.042 1.00 0.20 O ATOM 996 CB ARG A 284 6.113 -7.108 -4.995 1.00 0.18 C ATOM 997 CG ARG A 284 5.195 -7.859 -4.040 1.00 0.21 C ATOM 998 CD ARG A 284 3.734 -7.503 -4.219 1.00 0.26 C ATOM 999 NE ARG A 284 2.894 -8.314 -3.337 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.860 -9.046 -3.752 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.527 -9.072 -5.039 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.171 -9.770 -2.877 1.00 0.67 N ATOM 0 H ARG A 284 8.313 -5.652 -5.511 1.00 0.16 H new ATOM 0 HA ARG A 284 5.526 -5.101 -4.601 1.00 0.12 H new ATOM 0 HB2 ARG A 284 5.645 -7.083 -5.979 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.042 -7.669 -5.098 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.323 -8.931 -4.190 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.493 -7.643 -3.014 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.583 -6.445 -4.003 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.440 -7.661 -5.257 1.00 0.26 H new ATOM 0 HE ARG A 284 3.114 -8.320 -2.341 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.064 -8.530 -5.716 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.735 -9.634 -5.350 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.434 -9.765 -1.891 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.379 -10.331 -3.191 1.00 0.67 H new ATOM 1016 N GLY A 285 6.270 -5.933 -2.158 1.00 0.14 N ATOM 1017 CA GLY A 285 6.819 -6.050 -0.825 1.00 0.18 C ATOM 1018 C GLY A 285 5.750 -5.845 0.199 1.00 0.14 C ATOM 1019 O GLY A 285 4.584 -5.955 -0.124 1.00 0.15 O ATOM 0 H GLY A 285 5.268 -6.110 -2.227 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.271 -7.033 -0.696 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.611 -5.314 -0.685 1.00 0.18 H new ATOM 1023 N HIS A 286 6.129 -5.517 1.416 1.00 0.15 N ATOM 1024 CA HIS A 286 5.150 -5.238 2.451 1.00 0.13 C ATOM 1025 C HIS A 286 5.655 -4.136 3.370 1.00 0.15 C ATOM 1026 O HIS A 286 6.813 -4.146 3.792 1.00 0.20 O ATOM 1027 CB HIS A 286 4.791 -6.509 3.242 1.00 0.18 C ATOM 1028 CG HIS A 286 5.931 -7.119 4.010 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.759 -7.880 5.145 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.260 -7.109 3.768 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.940 -8.314 5.560 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.865 -7.861 4.740 1.00 0.52 N ATOM 0 H HIS A 286 7.101 -5.437 1.714 1.00 0.15 H new ATOM 0 HA HIS A 286 4.235 -4.891 1.972 1.00 0.13 H new ATOM 0 HB2 HIS A 286 3.988 -6.271 3.940 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.400 -7.253 2.548 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.865 -8.078 5.594 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.756 -6.600 2.955 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.115 -8.935 6.426 1.00 0.65 H new ATOM 1041 N PHE A 287 4.791 -3.176 3.645 1.00 0.14 N ATOM 1042 CA PHE A 287 5.138 -2.046 4.496 1.00 0.17 C ATOM 1043 C PHE A 287 3.913 -1.567 5.276 1.00 0.20 C ATOM 1044 O PHE A 287 2.795 -1.604 4.762 1.00 0.29 O ATOM 1045 CB PHE A 287 5.732 -0.893 3.666 1.00 0.20 C ATOM 1046 CG PHE A 287 7.195 -1.044 3.368 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.133 -0.947 4.382 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.632 -1.260 2.075 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.480 -1.069 4.110 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.977 -1.379 1.796 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.904 -1.284 2.814 1.00 0.30 C ATOM 0 H PHE A 287 3.835 -3.154 3.289 1.00 0.14 H new ATOM 0 HA PHE A 287 5.895 -2.378 5.206 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.186 -0.818 2.725 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.576 0.044 4.201 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.807 -0.774 5.397 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.912 -1.336 1.274 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.202 -0.996 4.910 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.305 -1.547 0.781 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.958 -1.378 2.597 1.00 0.30 H new ATOM 1061 N PRO A 288 4.113 -1.118 6.526 1.00 0.22 N ATOM 1062 CA PRO A 288 3.013 -0.729 7.421 1.00 0.26 C ATOM 1063 C PRO A 288 2.368 0.622 7.083 1.00 0.24 C ATOM 1064 O PRO A 288 2.918 1.427 6.321 1.00 0.28 O ATOM 1065 CB PRO A 288 3.687 -0.669 8.790 1.00 0.33 C ATOM 1066 CG PRO A 288 5.110 -0.339 8.500 1.00 0.54 C ATOM 1067 CD PRO A 288 5.430 -0.979 7.178 1.00 0.32 C ATOM 0 HA PRO A 288 2.185 -1.434 7.348 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.227 0.088 9.424 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.601 -1.620 9.315 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.258 0.740 8.456 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.765 -0.718 9.284 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.106 -0.360 6.587 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.916 -1.946 7.309 1.00 0.32 H new ATOM 1075 N PHE A 289 1.203 0.854 7.692 1.00 0.31 N ATOM 1076 CA PHE A 289 0.389 2.049 7.464 1.00 0.37 C ATOM 1077 C PHE A 289 1.015 3.263 8.156 1.00 0.33 C ATOM 1078 O PHE A 289 0.614 4.405 7.939 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.025 1.805 8.019 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.133 2.598 7.363 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -1.867 3.725 6.601 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -3.452 2.203 7.519 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -2.891 4.439 6.006 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -4.480 2.912 6.928 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.200 4.032 6.170 1.00 0.50 C ATOM 0 H PHE A 289 0.793 0.208 8.367 1.00 0.31 H new ATOM 0 HA PHE A 289 0.338 2.250 6.394 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.256 0.744 7.921 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.022 2.034 9.085 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -0.845 4.050 6.470 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -3.680 1.329 8.111 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -2.667 5.314 5.414 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -5.503 2.590 7.059 1.00 0.81 H new ATOM 0 HZ PHE A 289 -5.002 4.588 5.707 1.00 0.50 H new ATOM 1095 N THR A 290 2.033 2.998 8.961 1.00 0.33 N ATOM 1096 CA THR A 290 2.621 3.984 9.849 1.00 0.41 C ATOM 1097 C THR A 290 3.353 5.116 9.114 1.00 0.38 C ATOM 1098 O THR A 290 3.920 6.005 9.752 1.00 0.57 O ATOM 1099 CB THR A 290 3.599 3.276 10.796 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.449 2.403 10.040 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.856 2.466 11.849 1.00 0.61 C ATOM 0 H THR A 290 2.477 2.082 9.015 1.00 0.33 H new ATOM 0 HA THR A 290 1.802 4.450 10.396 1.00 0.41 H new ATOM 0 HB THR A 290 4.195 4.036 11.302 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.075 1.952 10.644 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.575 1.976 12.505 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.221 3.129 12.437 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.239 1.712 11.360 1.00 0.61 H new ATOM 1109 N HIS A 291 3.337 5.095 7.783 1.00 0.25 N ATOM 1110 CA HIS A 291 4.023 6.119 6.998 1.00 0.26 C ATOM 1111 C HIS A 291 3.535 6.119 5.556 1.00 0.23 C ATOM 1112 O HIS A 291 4.298 6.391 4.622 1.00 0.26 O ATOM 1113 CB HIS A 291 5.549 5.934 7.054 1.00 0.35 C ATOM 1114 CG HIS A 291 6.012 4.509 6.983 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.736 3.675 5.925 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.735 3.776 7.858 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.269 2.489 6.155 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.881 2.524 7.320 1.00 0.88 N ATOM 0 H HIS A 291 2.860 4.385 7.228 1.00 0.25 H new ATOM 0 HA HIS A 291 3.785 7.087 7.439 1.00 0.26 H new ATOM 0 HB2 HIS A 291 5.999 6.489 6.231 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.921 6.377 7.978 1.00 0.35 H new ATOM 0 HD2 HIS A 291 7.126 4.114 8.806 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.212 1.634 5.498 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.382 1.747 7.751 1.00 0.88 H new ATOM 1127 N VAL A 292 2.257 5.812 5.380 1.00 0.21 N ATOM 1128 CA VAL A 292 1.617 5.875 4.074 1.00 0.21 C ATOM 1129 C VAL A 292 0.251 6.550 4.171 1.00 0.24 C ATOM 1130 O VAL A 292 -0.336 6.631 5.250 1.00 0.32 O ATOM 1131 CB VAL A 292 1.452 4.476 3.464 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.807 3.859 3.183 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.657 3.586 4.393 1.00 0.51 C ATOM 0 H VAL A 292 1.638 5.514 6.134 1.00 0.21 H new ATOM 0 HA VAL A 292 2.265 6.465 3.426 1.00 0.21 H new ATOM 0 HB VAL A 292 0.910 4.572 2.523 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.673 2.867 2.751 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.355 4.489 2.483 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.369 3.776 4.113 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.549 2.598 3.946 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.178 3.498 5.347 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.329 4.020 4.557 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.233 7.058 3.046 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.532 7.718 2.990 1.00 0.24 C ATOM 1145 C ARG A 293 -2.384 7.101 1.910 1.00 0.24 C ATOM 1146 O ARG A 293 -2.083 7.219 0.733 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.342 9.204 2.716 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.424 9.870 3.716 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.096 10.076 5.060 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.178 10.679 6.024 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.394 10.014 7.024 1.00 0.61 C ATOM 1152 NH1 ARG A 293 0.150 8.720 7.199 1.00 0.69 N ATOM 1153 NH2 ARG A 293 1.229 10.641 7.840 1.00 0.74 N ATOM 0 H ARG A 293 0.258 7.025 2.153 1.00 0.21 H new ATOM 0 HA ARG A 293 -2.035 7.591 3.948 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.936 9.335 1.713 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.313 9.699 2.734 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.470 9.261 3.848 1.00 0.38 H new ATOM 0 HG3 ARG A 293 -0.098 10.833 3.323 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.970 10.715 4.938 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.451 9.119 5.442 1.00 0.45 H new ATOM 0 HE ARG A 293 0.037 11.671 5.924 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.480 8.229 6.564 1.00 0.69 H new ATOM 0 HH12 ARG A 293 0.592 8.217 7.968 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.432 11.631 7.700 1.00 0.74 H new ATOM 0 HH22 ARG A 293 1.669 10.134 8.608 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.450 6.453 2.307 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.209 5.659 1.373 1.00 0.26 C ATOM 1169 C LEU A 294 -5.250 6.447 0.623 1.00 0.27 C ATOM 1170 O LEU A 294 -6.137 7.099 1.173 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.834 4.464 2.064 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.380 3.405 1.133 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -4.270 2.927 0.238 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.965 2.255 1.926 1.00 1.31 C ATOM 0 H LEU A 294 -3.810 6.458 3.261 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.497 5.307 0.626 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.088 4.007 2.713 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.642 4.815 2.705 1.00 0.38 H new ATOM 0 HG LEU A 294 -6.179 3.827 0.523 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.652 2.162 -0.439 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.884 3.765 -0.342 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.468 2.507 0.845 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.354 1.501 1.241 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.189 1.812 2.551 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.774 2.623 2.558 1.00 1.31 H new ATOM 1186 N LEU A 295 -5.067 6.362 -0.660 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.990 6.813 -1.666 1.00 0.31 C ATOM 1188 C LEU A 295 -6.944 5.681 -1.994 1.00 0.36 C ATOM 1189 O LEU A 295 -7.046 5.236 -3.139 1.00 0.52 O ATOM 1190 CB LEU A 295 -5.227 7.192 -2.912 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.456 8.502 -2.870 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.256 8.416 -1.936 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -4.026 8.830 -4.271 1.00 0.39 C ATOM 0 H LEU A 295 -4.222 5.953 -1.059 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.544 7.678 -1.300 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.523 6.390 -3.137 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.932 7.239 -3.742 1.00 0.33 H new ATOM 0 HG LEU A 295 -5.097 9.292 -2.478 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.729 9.370 -1.932 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.596 8.185 -0.927 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.582 7.631 -2.280 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.469 9.767 -4.271 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.391 8.031 -4.653 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.905 8.930 -4.907 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.569 5.190 -0.954 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.395 3.988 -1.005 1.00 0.66 C ATOM 1207 C ASP A 296 -9.446 4.044 -2.106 1.00 0.86 C ATOM 1208 O ASP A 296 -10.114 5.058 -2.314 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.070 3.735 0.349 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.955 4.882 0.798 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -11.156 4.883 0.464 1.00 1.97 O ATOM 1212 OD2 ASP A 296 -9.452 5.786 1.501 1.00 1.84 O ATOM 0 H ASP A 296 -7.524 5.614 -0.027 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.724 3.161 -1.237 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -9.668 2.826 0.285 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -8.303 3.560 1.103 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.550 2.940 -2.821 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.579 2.745 -3.827 1.00 0.87 C ATOM 1219 C GLN A 297 -11.362 1.501 -3.478 1.00 1.60 C ATOM 1220 O GLN A 297 -10.843 0.382 -3.686 1.00 2.38 O ATOM 1221 CB GLN A 297 -9.970 2.618 -5.231 1.00 1.01 C ATOM 1222 CG GLN A 297 -9.068 3.780 -5.613 1.00 2.20 C ATOM 1223 CD GLN A 297 -8.617 3.730 -7.062 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -8.435 2.658 -7.639 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -8.461 4.896 -7.669 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.484 1.654 -2.971 1.00 2.17 O ATOM 0 H GLN A 297 -8.918 2.146 -2.720 1.00 0.62 H new ATOM 0 HA GLN A 297 -11.239 3.613 -3.838 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.398 1.692 -5.287 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.776 2.540 -5.961 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -9.596 4.717 -5.435 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.191 3.780 -4.965 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -8.621 5.763 -7.157 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -8.180 4.927 -8.649 1.00 3.77 H new TER 1235 GLN A 297