USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 54 GLN : amide:sc= 0.933 K(o=2.1,f=0.89) USER MOD Set 1.2: A 58 HIS : no HE2:sc= 1.17 K(o=2.1,f=-8.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.42 (180deg=0.62) USER MOD Single : A 2 ASN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 6 THR OG1 : rot 145:sc= 0.724 USER MOD Single : A 7 SER OG : rot 22:sc= 1.14 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.17) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.17 K(o=1.2,f=-0.011) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.96! K(o=-2!,f=-0.35) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0.873 (180deg=0.447) USER MOD Single : A 30 GLN : amide:sc= -0.831 K(o=-0.83,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.011) USER MOD Single : A 37 GLN : amide:sc= -0.758 K(o=-0.76,f=-3.7!) USER MOD Single : A 41 THR OG1 : rot 124:sc= -1.78! USER MOD Single : A 47 GLN : amide:sc= -0.851! K(o=-0.85!,f=-0.019) USER MOD Single : A 57 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.18) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.746 7.635 -6.318 1.00 0.00 N ATOM 2 CA MET A 1 -10.003 8.481 -5.361 1.00 0.00 C ATOM 3 C MET A 1 -8.625 7.902 -5.090 1.00 0.00 C ATOM 4 O MET A 1 -8.344 6.748 -5.418 1.00 0.00 O ATOM 5 CB MET A 1 -10.757 8.610 -4.030 1.00 0.00 C ATOM 6 CG MET A 1 -12.052 9.403 -4.111 1.00 0.00 C ATOM 7 SD MET A 1 -13.344 8.553 -5.036 1.00 0.00 S ATOM 8 CE MET A 1 -14.714 9.681 -4.793 1.00 0.00 C ATOM 0 H1 MET A 1 -11.763 7.678 -6.103 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.582 7.979 -7.286 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.417 6.651 -6.240 1.00 0.00 H new ATOM 0 HA MET A 1 -9.904 9.468 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.981 7.611 -3.656 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.101 9.084 -3.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.410 9.607 -3.102 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.852 10.367 -4.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.596 9.298 -5.306 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.925 9.773 -3.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.456 10.660 -5.198 1.00 0.00 H new ATOM 20 N ASN A 2 -7.772 8.710 -4.488 1.00 0.00 N ATOM 21 CA ASN A 2 -6.458 8.269 -4.057 1.00 0.00 C ATOM 22 C ASN A 2 -6.172 8.856 -2.687 1.00 0.00 C ATOM 23 O ASN A 2 -6.795 9.845 -2.287 1.00 0.00 O ATOM 24 CB ASN A 2 -5.371 8.708 -5.048 1.00 0.00 C ATOM 25 CG ASN A 2 -5.133 10.207 -5.034 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.802 10.959 -5.740 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.173 10.651 -4.235 1.00 0.00 N ATOM 0 H ASN A 2 -7.970 9.690 -4.284 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.448 7.180 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.440 8.195 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.657 8.399 -6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.967 11.649 -4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.640 9.995 -3.664 1.00 0.00 H new ATOM 34 N LEU A 3 -5.254 8.250 -1.965 1.00 0.00 N ATOM 35 CA LEU A 3 -4.888 8.748 -0.654 1.00 0.00 C ATOM 36 C LEU A 3 -3.541 9.446 -0.701 1.00 0.00 C ATOM 37 O LEU A 3 -2.910 9.525 -1.755 1.00 0.00 O ATOM 38 CB LEU A 3 -4.867 7.607 0.360 1.00 0.00 C ATOM 39 CG LEU A 3 -6.236 6.991 0.640 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.128 5.911 1.695 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.214 8.064 1.085 1.00 0.00 C ATOM 0 H LEU A 3 -4.748 7.415 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.636 9.476 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.198 6.827 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.449 7.976 1.297 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.605 6.539 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.114 5.484 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.453 5.129 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.739 6.341 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.186 7.612 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.844 8.539 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.315 8.813 0.300 1.00 0.00 H new ATOM 53 N ARG A 4 -3.118 9.966 0.438 1.00 0.00 N ATOM 54 CA ARG A 4 -1.848 10.657 0.528 1.00 0.00 C ATOM 55 C ARG A 4 -0.751 9.669 0.897 1.00 0.00 C ATOM 56 O ARG A 4 -0.753 9.096 1.988 1.00 0.00 O ATOM 57 CB ARG A 4 -1.934 11.778 1.561 1.00 0.00 C ATOM 58 CG ARG A 4 -0.805 12.787 1.465 1.00 0.00 C ATOM 59 CD ARG A 4 -1.026 13.939 2.427 1.00 0.00 C ATOM 60 NE ARG A 4 -0.119 15.053 2.172 1.00 0.00 N ATOM 61 CZ ARG A 4 -0.305 16.283 2.644 1.00 0.00 C ATOM 62 NH1 ARG A 4 -1.368 16.553 3.394 1.00 0.00 N ATOM 63 NH2 ARG A 4 0.567 17.238 2.357 1.00 0.00 N ATOM 0 H ARG A 4 -3.638 9.922 1.314 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.609 11.099 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.885 12.298 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.934 11.340 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.144 12.299 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.737 13.167 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.056 14.286 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.888 13.588 3.450 1.00 0.00 H new ATOM 0 HE ARG A 4 0.706 14.879 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.041 15.817 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.511 17.496 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.379 17.030 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.427 18.182 2.718 1.00 0.00 H new ATOM 77 N TRP A 5 0.165 9.467 -0.027 1.00 0.00 N ATOM 78 CA TRP A 5 1.236 8.503 0.151 1.00 0.00 C ATOM 79 C TRP A 5 2.488 9.181 0.694 1.00 0.00 C ATOM 80 O TRP A 5 2.916 10.216 0.177 1.00 0.00 O ATOM 81 CB TRP A 5 1.542 7.817 -1.183 1.00 0.00 C ATOM 82 CG TRP A 5 0.456 6.895 -1.646 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.803 7.238 -2.045 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.539 5.474 -1.764 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.513 6.114 -2.387 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.708 5.018 -2.225 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.551 4.542 -1.516 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.967 3.671 -2.448 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.291 3.206 -1.738 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.040 2.782 -2.199 1.00 0.00 C ATOM 0 H TRP A 5 0.190 9.962 -0.918 1.00 0.00 H new ATOM 0 HA TRP A 5 0.914 7.754 0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.709 8.579 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.470 7.253 -1.088 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.185 8.247 -2.086 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.481 6.098 -2.709 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.518 4.862 -1.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.930 3.339 -2.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.065 2.476 -1.553 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.133 1.729 -2.362 1.00 0.00 H new ATOM 101 N THR A 6 3.067 8.604 1.739 1.00 0.00 N ATOM 102 CA THR A 6 4.296 9.133 2.309 1.00 0.00 C ATOM 103 C THR A 6 5.485 8.716 1.453 1.00 0.00 C ATOM 104 O THR A 6 5.376 7.792 0.648 1.00 0.00 O ATOM 105 CB THR A 6 4.510 8.646 3.758 1.00 0.00 C ATOM 106 OG1 THR A 6 4.715 7.227 3.790 1.00 0.00 O ATOM 107 CG2 THR A 6 3.320 9.005 4.636 1.00 0.00 C ATOM 0 H THR A 6 2.706 7.773 2.207 1.00 0.00 H new ATOM 0 HA THR A 6 4.211 10.220 2.326 1.00 0.00 H new ATOM 0 HB THR A 6 5.398 9.146 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.356 7.005 4.497 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.497 8.650 5.651 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.189 10.087 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.420 8.535 4.239 1.00 0.00 H new ATOM 115 N SER A 7 6.615 9.386 1.621 1.00 0.00 N ATOM 116 CA SER A 7 7.803 9.073 0.838 1.00 0.00 C ATOM 117 C SER A 7 8.217 7.613 1.023 1.00 0.00 C ATOM 118 O SER A 7 8.679 6.960 0.083 1.00 0.00 O ATOM 119 CB SER A 7 8.944 10.016 1.217 1.00 0.00 C ATOM 120 OG SER A 7 9.098 10.115 2.629 1.00 0.00 O ATOM 0 H SER A 7 6.735 10.147 2.289 1.00 0.00 H new ATOM 0 HA SER A 7 7.568 9.216 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.874 9.659 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.752 11.005 0.802 1.00 0.00 H new ATOM 0 HG SER A 7 8.705 9.326 3.057 1.00 0.00 H new ATOM 126 N GLU A 8 8.028 7.101 2.231 1.00 0.00 N ATOM 127 CA GLU A 8 8.328 5.710 2.531 1.00 0.00 C ATOM 128 C GLU A 8 7.355 4.802 1.798 1.00 0.00 C ATOM 129 O GLU A 8 7.753 3.830 1.162 1.00 0.00 O ATOM 130 CB GLU A 8 8.231 5.424 4.035 1.00 0.00 C ATOM 131 CG GLU A 8 8.674 6.564 4.937 1.00 0.00 C ATOM 132 CD GLU A 8 7.611 7.631 5.075 1.00 0.00 C ATOM 133 OE1 GLU A 8 6.627 7.402 5.806 1.00 0.00 O ATOM 134 OE2 GLU A 8 7.739 8.689 4.423 1.00 0.00 O ATOM 0 H GLU A 8 7.666 7.633 3.023 1.00 0.00 H new ATOM 0 HA GLU A 8 9.349 5.516 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.198 5.171 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.835 4.546 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.921 6.170 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.584 7.010 4.535 1.00 0.00 H new ATOM 141 N ALA A 9 6.073 5.141 1.887 1.00 0.00 N ATOM 142 CA ALA A 9 5.017 4.347 1.279 1.00 0.00 C ATOM 143 C ALA A 9 5.181 4.276 -0.236 1.00 0.00 C ATOM 144 O ALA A 9 5.044 3.208 -0.832 1.00 0.00 O ATOM 145 CB ALA A 9 3.661 4.928 1.643 1.00 0.00 C ATOM 0 H ALA A 9 5.740 5.970 2.380 1.00 0.00 H new ATOM 0 HA ALA A 9 5.085 3.330 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.874 4.329 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.540 4.919 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.595 5.953 1.279 1.00 0.00 H new ATOM 151 N LYS A 10 5.494 5.414 -0.847 1.00 0.00 N ATOM 152 CA LYS A 10 5.693 5.479 -2.289 1.00 0.00 C ATOM 153 C LYS A 10 6.879 4.614 -2.702 1.00 0.00 C ATOM 154 O LYS A 10 6.834 3.934 -3.728 1.00 0.00 O ATOM 155 CB LYS A 10 5.900 6.931 -2.731 1.00 0.00 C ATOM 156 CG LYS A 10 4.750 7.841 -2.336 1.00 0.00 C ATOM 157 CD LYS A 10 4.985 9.287 -2.739 1.00 0.00 C ATOM 158 CE LYS A 10 4.909 9.468 -4.245 1.00 0.00 C ATOM 159 NZ LYS A 10 4.972 10.901 -4.631 1.00 0.00 N ATOM 0 H LYS A 10 5.615 6.304 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 10 4.801 5.093 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.823 7.310 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.025 6.961 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.832 7.483 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.603 7.787 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.243 9.924 -2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.963 9.610 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.729 8.928 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.982 9.031 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.917 10.984 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.175 11.412 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.868 11.311 -4.297 1.00 0.00 H new ATOM 173 N THR A 11 7.924 4.618 -1.883 1.00 0.00 N ATOM 174 CA THR A 11 9.101 3.805 -2.144 1.00 0.00 C ATOM 175 C THR A 11 8.790 2.320 -1.926 1.00 0.00 C ATOM 176 O THR A 11 9.202 1.464 -2.710 1.00 0.00 O ATOM 177 CB THR A 11 10.281 4.241 -1.249 1.00 0.00 C ATOM 178 OG1 THR A 11 10.504 5.653 -1.400 1.00 0.00 O ATOM 179 CG2 THR A 11 11.553 3.486 -1.612 1.00 0.00 C ATOM 0 H THR A 11 7.978 5.177 -1.032 1.00 0.00 H new ATOM 0 HA THR A 11 9.388 3.952 -3.185 1.00 0.00 H new ATOM 0 HB THR A 11 10.028 4.012 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.867 6.146 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.367 3.813 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.392 2.416 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.812 3.687 -2.652 1.00 0.00 H new ATOM 187 N LYS A 12 8.042 2.026 -0.865 1.00 0.00 N ATOM 188 CA LYS A 12 7.600 0.661 -0.585 1.00 0.00 C ATOM 189 C LYS A 12 6.799 0.102 -1.755 1.00 0.00 C ATOM 190 O LYS A 12 6.990 -1.048 -2.157 1.00 0.00 O ATOM 191 CB LYS A 12 6.741 0.627 0.684 1.00 0.00 C ATOM 192 CG LYS A 12 7.524 0.699 1.986 1.00 0.00 C ATOM 193 CD LYS A 12 8.223 -0.618 2.295 1.00 0.00 C ATOM 194 CE LYS A 12 8.773 -0.635 3.713 1.00 0.00 C ATOM 195 NZ LYS A 12 9.328 -1.964 4.084 1.00 0.00 N ATOM 0 H LYS A 12 7.728 2.717 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 12 8.487 0.045 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.038 1.460 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.150 -0.289 0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.263 1.497 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.849 0.954 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.522 -1.443 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.036 -0.775 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.552 0.122 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.981 -0.366 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.220 -2.112 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.816 -2.710 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.337 -2.001 3.833 1.00 0.00 H new ATOM 209 N LEU A 13 5.914 0.931 -2.301 1.00 0.00 N ATOM 210 CA LEU A 13 5.065 0.536 -3.417 1.00 0.00 C ATOM 211 C LEU A 13 5.897 0.219 -4.654 1.00 0.00 C ATOM 212 O LEU A 13 5.630 -0.749 -5.359 1.00 0.00 O ATOM 213 CB LEU A 13 4.056 1.644 -3.734 1.00 0.00 C ATOM 214 CG LEU A 13 3.064 1.325 -4.857 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.202 0.127 -4.487 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.196 2.538 -5.160 1.00 0.00 C ATOM 0 H LEU A 13 5.767 1.889 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 13 4.526 -0.366 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.493 1.870 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.605 2.547 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 13 3.629 1.073 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.504 -0.083 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.839 -0.742 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.645 0.347 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.497 2.294 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.640 2.820 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.828 3.369 -5.471 1.00 0.00 H new ATOM 228 N LYS A 14 6.923 1.026 -4.900 1.00 0.00 N ATOM 229 CA LYS A 14 7.804 0.824 -6.051 1.00 0.00 C ATOM 230 C LYS A 14 8.628 -0.452 -5.895 1.00 0.00 C ATOM 231 O LYS A 14 9.231 -0.939 -6.853 1.00 0.00 O ATOM 232 CB LYS A 14 8.721 2.036 -6.234 1.00 0.00 C ATOM 233 CG LYS A 14 7.963 3.313 -6.561 1.00 0.00 C ATOM 234 CD LYS A 14 8.874 4.527 -6.542 1.00 0.00 C ATOM 235 CE LYS A 14 8.087 5.809 -6.742 1.00 0.00 C ATOM 236 NZ LYS A 14 8.944 7.016 -6.598 1.00 0.00 N ATOM 0 H LYS A 14 7.168 1.828 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 14 7.183 0.715 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.300 2.187 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.433 1.828 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.501 3.220 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.156 3.452 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.407 4.569 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.626 4.433 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.631 5.804 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.274 5.853 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.368 7.870 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.359 7.035 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.705 6.988 -7.307 1.00 0.00 H new ATOM 250 N ASN A 15 8.645 -0.999 -4.687 1.00 0.00 N ATOM 251 CA ASN A 15 9.318 -2.268 -4.435 1.00 0.00 C ATOM 252 C ASN A 15 8.366 -3.437 -4.679 1.00 0.00 C ATOM 253 O ASN A 15 8.749 -4.598 -4.560 1.00 0.00 O ATOM 254 CB ASN A 15 9.870 -2.321 -3.007 1.00 0.00 C ATOM 255 CG ASN A 15 11.232 -1.664 -2.884 1.00 0.00 C ATOM 256 OD1 ASN A 15 12.260 -2.312 -3.061 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.258 -0.377 -2.577 1.00 0.00 N ATOM 0 H ASN A 15 8.202 -0.585 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 15 10.155 -2.349 -5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.170 -1.828 -2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.942 -3.361 -2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.151 0.106 -2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.385 0.132 -2.437 1.00 0.00 H new ATOM 264 N ILE A 16 7.120 -3.121 -4.998 1.00 0.00 N ATOM 265 CA ILE A 16 6.146 -4.129 -5.395 1.00 0.00 C ATOM 266 C ILE A 16 6.103 -4.218 -6.921 1.00 0.00 C ATOM 267 O ILE A 16 6.154 -3.190 -7.596 1.00 0.00 O ATOM 268 CB ILE A 16 4.734 -3.793 -4.845 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.774 -3.712 -3.316 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.703 -4.824 -5.298 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.422 -3.494 -2.669 1.00 0.00 C ATOM 0 H ILE A 16 6.757 -2.168 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 16 6.450 -5.088 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 16 4.433 -2.825 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.206 -4.633 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.439 -2.899 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.724 -4.561 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.657 -4.838 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.991 -5.810 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.540 -3.449 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.994 -2.558 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.758 -4.319 -2.927 1.00 0.00 H new ATOM 283 N PRO A 17 6.053 -5.440 -7.482 1.00 0.00 N ATOM 284 CA PRO A 17 5.953 -5.649 -8.935 1.00 0.00 C ATOM 285 C PRO A 17 4.814 -4.842 -9.560 1.00 0.00 C ATOM 286 O PRO A 17 3.694 -4.834 -9.046 1.00 0.00 O ATOM 287 CB PRO A 17 5.676 -7.147 -9.059 1.00 0.00 C ATOM 288 CG PRO A 17 6.274 -7.745 -7.835 1.00 0.00 C ATOM 289 CD PRO A 17 6.111 -6.719 -6.749 1.00 0.00 C ATOM 0 HA PRO A 17 6.853 -5.323 -9.457 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.606 -7.348 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.126 -7.559 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.772 -8.676 -7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.326 -7.983 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.204 -6.890 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.946 -6.741 -6.048 1.00 0.00 H new ATOM 297 N PHE A 18 5.107 -4.189 -10.682 1.00 0.00 N ATOM 298 CA PHE A 18 4.166 -3.271 -11.330 1.00 0.00 C ATOM 299 C PHE A 18 2.847 -3.953 -11.669 1.00 0.00 C ATOM 300 O PHE A 18 1.777 -3.364 -11.511 1.00 0.00 O ATOM 301 CB PHE A 18 4.789 -2.688 -12.601 1.00 0.00 C ATOM 302 CG PHE A 18 3.867 -1.779 -13.370 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.665 -0.471 -12.964 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.192 -2.241 -14.490 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.812 0.362 -13.661 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.337 -1.414 -15.190 1.00 0.00 C ATOM 307 CZ PHE A 18 2.146 -0.111 -14.775 1.00 0.00 C ATOM 0 H PHE A 18 5.999 -4.279 -11.168 1.00 0.00 H new ATOM 0 HA PHE A 18 3.954 -2.469 -10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.688 -2.134 -12.332 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.101 -3.507 -13.250 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.181 -0.097 -12.092 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.337 -3.260 -14.818 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.666 1.381 -13.336 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.818 -1.786 -16.061 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.477 0.538 -15.321 1.00 0.00 H new ATOM 317 N PHE A 19 2.928 -5.202 -12.106 1.00 0.00 N ATOM 318 CA PHE A 19 1.749 -5.943 -12.539 1.00 0.00 C ATOM 319 C PHE A 19 0.776 -6.163 -11.383 1.00 0.00 C ATOM 320 O PHE A 19 -0.387 -6.501 -11.592 1.00 0.00 O ATOM 321 CB PHE A 19 2.161 -7.284 -13.146 1.00 0.00 C ATOM 322 CG PHE A 19 3.107 -7.145 -14.305 1.00 0.00 C ATOM 323 CD1 PHE A 19 2.640 -6.797 -15.563 1.00 0.00 C ATOM 324 CD2 PHE A 19 4.464 -7.362 -14.136 1.00 0.00 C ATOM 325 CE1 PHE A 19 3.510 -6.662 -16.627 1.00 0.00 C ATOM 326 CE2 PHE A 19 5.340 -7.228 -15.197 1.00 0.00 C ATOM 327 CZ PHE A 19 4.862 -6.882 -16.445 1.00 0.00 C ATOM 0 H PHE A 19 3.801 -5.726 -12.171 1.00 0.00 H new ATOM 0 HA PHE A 19 1.240 -5.350 -13.298 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.629 -7.896 -12.375 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.268 -7.815 -13.476 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.584 -6.630 -15.713 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.843 -7.639 -13.163 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.134 -6.385 -17.601 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.397 -7.394 -15.050 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.543 -6.783 -17.277 1.00 0.00 H new ATOM 337 N ALA A 20 1.258 -5.965 -10.164 1.00 0.00 N ATOM 338 CA ALA A 20 0.425 -6.117 -8.984 1.00 0.00 C ATOM 339 C ALA A 20 0.315 -4.805 -8.214 1.00 0.00 C ATOM 340 O ALA A 20 -0.370 -4.739 -7.201 1.00 0.00 O ATOM 341 CB ALA A 20 0.988 -7.209 -8.089 1.00 0.00 C ATOM 0 H ALA A 20 2.223 -5.699 -9.968 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.577 -6.400 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.358 -7.317 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.011 -8.152 -8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.999 -6.943 -7.782 1.00 0.00 H new ATOM 347 N ARG A 21 0.971 -3.753 -8.709 1.00 0.00 N ATOM 348 CA ARG A 21 0.986 -2.473 -8.004 1.00 0.00 C ATOM 349 C ARG A 21 -0.379 -1.809 -8.017 1.00 0.00 C ATOM 350 O ARG A 21 -0.801 -1.251 -7.012 1.00 0.00 O ATOM 351 CB ARG A 21 2.038 -1.515 -8.573 1.00 0.00 C ATOM 352 CG ARG A 21 3.438 -1.814 -8.072 1.00 0.00 C ATOM 353 CD ARG A 21 4.349 -0.596 -8.122 1.00 0.00 C ATOM 354 NE ARG A 21 4.773 -0.243 -9.477 1.00 0.00 N ATOM 355 CZ ARG A 21 6.020 -0.406 -9.918 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.904 -1.064 -9.179 1.00 0.00 N ATOM 357 NH2 ARG A 21 6.375 0.056 -11.109 1.00 0.00 N ATOM 0 H ARG A 21 1.493 -3.763 -9.585 1.00 0.00 H new ATOM 0 HA ARG A 21 1.253 -2.697 -6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.026 -1.575 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.773 -0.492 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.383 -2.180 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.872 -2.613 -8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.831 0.254 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.231 -0.786 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 21 4.080 0.147 -10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.629 -1.445 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.858 -1.189 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.692 0.539 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.331 -0.072 -11.441 1.00 0.00 H new ATOM 371 N SER A 22 -1.067 -1.872 -9.146 1.00 0.00 N ATOM 372 CA SER A 22 -2.404 -1.307 -9.250 1.00 0.00 C ATOM 373 C SER A 22 -3.357 -2.034 -8.302 1.00 0.00 C ATOM 374 O SER A 22 -4.217 -1.422 -7.661 1.00 0.00 O ATOM 375 CB SER A 22 -2.895 -1.414 -10.694 1.00 0.00 C ATOM 376 OG SER A 22 -1.947 -0.847 -11.583 1.00 0.00 O ATOM 0 H SER A 22 -0.723 -2.308 -10.002 1.00 0.00 H new ATOM 0 HA SER A 22 -2.375 -0.255 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.063 -2.460 -10.951 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.852 -0.902 -10.798 1.00 0.00 H new ATOM 0 HG SER A 22 -2.274 -0.925 -12.503 1.00 0.00 H new ATOM 382 N GLN A 23 -3.162 -3.340 -8.199 1.00 0.00 N ATOM 383 CA GLN A 23 -3.984 -4.186 -7.346 1.00 0.00 C ATOM 384 C GLN A 23 -3.633 -3.978 -5.875 1.00 0.00 C ATOM 385 O GLN A 23 -4.517 -3.882 -5.017 1.00 0.00 O ATOM 386 CB GLN A 23 -3.785 -5.649 -7.751 1.00 0.00 C ATOM 387 CG GLN A 23 -4.619 -6.636 -6.956 1.00 0.00 C ATOM 388 CD GLN A 23 -4.662 -8.005 -7.606 1.00 0.00 C ATOM 389 OE1 GLN A 23 -4.788 -9.025 -6.931 1.00 0.00 O ATOM 390 NE2 GLN A 23 -4.566 -8.038 -8.928 1.00 0.00 N ATOM 0 H GLN A 23 -2.431 -3.843 -8.703 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.032 -3.916 -7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.026 -5.757 -8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.732 -5.906 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.210 -6.726 -5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.634 -6.252 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.462 -7.170 -9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.596 -8.931 -9.419 1.00 0.00 H new ATOM 399 N ALA A 24 -2.340 -3.898 -5.587 1.00 0.00 N ATOM 400 CA ALA A 24 -1.868 -3.664 -4.233 1.00 0.00 C ATOM 401 C ALA A 24 -2.251 -2.270 -3.759 1.00 0.00 C ATOM 402 O ALA A 24 -2.707 -2.103 -2.635 1.00 0.00 O ATOM 403 CB ALA A 24 -0.361 -3.854 -4.148 1.00 0.00 C ATOM 0 H ALA A 24 -1.597 -3.993 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.347 -4.393 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.029 -3.674 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.106 -4.873 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.133 -3.151 -4.819 1.00 0.00 H new ATOM 409 N LYS A 25 -2.077 -1.276 -4.631 1.00 0.00 N ATOM 410 CA LYS A 25 -2.415 0.105 -4.305 1.00 0.00 C ATOM 411 C LYS A 25 -3.873 0.213 -3.877 1.00 0.00 C ATOM 412 O LYS A 25 -4.189 0.869 -2.884 1.00 0.00 O ATOM 413 CB LYS A 25 -2.153 1.014 -5.508 1.00 0.00 C ATOM 414 CG LYS A 25 -2.463 2.478 -5.247 1.00 0.00 C ATOM 415 CD LYS A 25 -2.076 3.352 -6.427 1.00 0.00 C ATOM 416 CE LYS A 25 -2.322 4.827 -6.141 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.768 5.139 -5.989 1.00 0.00 N ATOM 0 H LYS A 25 -1.702 -1.405 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.784 0.426 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.108 0.920 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.753 0.669 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.527 2.594 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.929 2.810 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.023 3.198 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.648 3.051 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.794 5.111 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.907 5.426 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.877 6.069 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.220 5.155 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.220 4.412 -5.399 1.00 0.00 H new ATOM 431 N ALA A 26 -4.750 -0.453 -4.619 1.00 0.00 N ATOM 432 CA ALA A 26 -6.162 -0.482 -4.284 1.00 0.00 C ATOM 433 C ALA A 26 -6.365 -1.030 -2.874 1.00 0.00 C ATOM 434 O ALA A 26 -7.128 -0.473 -2.089 1.00 0.00 O ATOM 435 CB ALA A 26 -6.931 -1.313 -5.301 1.00 0.00 C ATOM 0 H ALA A 26 -4.504 -0.980 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.547 0.537 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.988 -1.325 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.810 -0.877 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.546 -2.333 -5.304 1.00 0.00 H new ATOM 441 N ARG A 27 -5.657 -2.109 -2.554 1.00 0.00 N ATOM 442 CA ARG A 27 -5.746 -2.721 -1.234 1.00 0.00 C ATOM 443 C ARG A 27 -5.180 -1.798 -0.158 1.00 0.00 C ATOM 444 O ARG A 27 -5.802 -1.602 0.883 1.00 0.00 O ATOM 445 CB ARG A 27 -5.009 -4.057 -1.215 1.00 0.00 C ATOM 446 CG ARG A 27 -5.037 -4.755 0.135 1.00 0.00 C ATOM 447 CD ARG A 27 -4.551 -6.189 0.025 1.00 0.00 C ATOM 448 NE ARG A 27 -5.374 -6.971 -0.897 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.149 -7.994 -0.525 1.00 0.00 C ATOM 450 NH1 ARG A 27 -6.243 -8.335 0.759 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.850 -8.658 -1.440 1.00 0.00 N ATOM 0 H ARG A 27 -5.014 -2.578 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.800 -2.893 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.451 -4.715 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.972 -3.893 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.411 -4.210 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.052 -4.742 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.516 -6.197 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.566 -6.655 1.010 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.355 -6.720 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.722 -7.814 1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.836 -9.117 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.795 -8.386 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.443 -9.439 -1.160 1.00 0.00 H new ATOM 465 N ILE A 28 -4.007 -1.230 -0.422 1.00 0.00 N ATOM 466 CA ILE A 28 -3.336 -0.344 0.531 1.00 0.00 C ATOM 467 C ILE A 28 -4.237 0.821 0.929 1.00 0.00 C ATOM 468 O ILE A 28 -4.413 1.109 2.115 1.00 0.00 O ATOM 469 CB ILE A 28 -2.019 0.215 -0.054 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.063 -0.930 -0.383 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.364 1.189 0.922 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.119 -0.517 -1.232 1.00 0.00 C ATOM 0 H ILE A 28 -3.496 -1.367 -1.294 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.110 -0.942 1.414 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.251 0.756 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.696 -1.363 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.615 -1.713 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.439 1.570 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.042 2.020 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.143 0.674 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.751 -1.384 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.237 -0.112 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.696 0.244 -0.707 1.00 0.00 H new ATOM 484 N GLU A 29 -4.814 1.477 -0.064 1.00 0.00 N ATOM 485 CA GLU A 29 -5.667 2.626 0.185 1.00 0.00 C ATOM 486 C GLU A 29 -6.996 2.201 0.817 1.00 0.00 C ATOM 487 O GLU A 29 -7.616 2.972 1.549 1.00 0.00 O ATOM 488 CB GLU A 29 -5.871 3.417 -1.112 1.00 0.00 C ATOM 489 CG GLU A 29 -4.553 3.939 -1.677 1.00 0.00 C ATOM 490 CD GLU A 29 -4.712 4.735 -2.955 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.205 4.177 -3.954 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.315 5.922 -2.979 1.00 0.00 O ATOM 0 H GLU A 29 -4.707 1.234 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.176 3.282 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.356 2.781 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.542 4.255 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.069 4.565 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.889 3.095 -1.865 1.00 0.00 H new ATOM 499 N GLN A 30 -7.414 0.961 0.565 1.00 0.00 N ATOM 500 CA GLN A 30 -8.584 0.404 1.243 1.00 0.00 C ATOM 501 C GLN A 30 -8.269 0.132 2.711 1.00 0.00 C ATOM 502 O GLN A 30 -9.108 0.345 3.584 1.00 0.00 O ATOM 503 CB GLN A 30 -9.058 -0.887 0.570 1.00 0.00 C ATOM 504 CG GLN A 30 -9.810 -0.656 -0.730 1.00 0.00 C ATOM 505 CD GLN A 30 -10.238 -1.948 -1.404 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.349 -2.017 -2.628 1.00 0.00 O ATOM 507 NE2 GLN A 30 -10.488 -2.980 -0.612 1.00 0.00 N ATOM 0 H GLN A 30 -6.965 0.328 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.385 1.140 1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.194 -1.522 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.702 -1.431 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.692 -0.047 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.178 -0.088 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.385 -2.884 0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.784 -3.870 -1.012 1.00 0.00 H new ATOM 516 N LEU A 31 -7.053 -0.335 2.973 1.00 0.00 N ATOM 517 CA LEU A 31 -6.598 -0.587 4.337 1.00 0.00 C ATOM 518 C LEU A 31 -6.585 0.710 5.139 1.00 0.00 C ATOM 519 O LEU A 31 -7.010 0.750 6.297 1.00 0.00 O ATOM 520 CB LEU A 31 -5.197 -1.212 4.327 1.00 0.00 C ATOM 521 CG LEU A 31 -5.096 -2.587 3.662 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.642 -2.964 3.431 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.788 -3.640 4.516 1.00 0.00 C ATOM 0 H LEU A 31 -6.361 -0.548 2.255 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.290 -1.285 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.517 -0.530 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.849 -1.299 5.356 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.596 -2.539 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.591 -3.944 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.173 -2.224 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.118 -2.995 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.708 -4.613 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.313 -3.684 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.840 -3.379 4.634 1.00 0.00 H new ATOM 535 N ALA A 32 -6.108 1.773 4.511 1.00 0.00 N ATOM 536 CA ALA A 32 -6.069 3.080 5.146 1.00 0.00 C ATOM 537 C ALA A 32 -7.477 3.624 5.367 1.00 0.00 C ATOM 538 O ALA A 32 -7.783 4.158 6.429 1.00 0.00 O ATOM 539 CB ALA A 32 -5.246 4.043 4.316 1.00 0.00 C ATOM 0 H ALA A 32 -5.742 1.756 3.559 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.597 2.972 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.225 5.018 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.229 3.663 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.691 4.142 3.326 1.00 0.00 H new ATOM 545 N ARG A 33 -8.341 3.477 4.368 1.00 0.00 N ATOM 546 CA ARG A 33 -9.729 3.895 4.499 1.00 0.00 C ATOM 547 C ARG A 33 -10.484 3.036 5.507 1.00 0.00 C ATOM 548 O ARG A 33 -11.525 3.443 6.017 1.00 0.00 O ATOM 549 CB ARG A 33 -10.422 3.869 3.144 1.00 0.00 C ATOM 550 CG ARG A 33 -10.097 5.085 2.299 1.00 0.00 C ATOM 551 CD ARG A 33 -10.680 6.348 2.921 1.00 0.00 C ATOM 552 NE ARG A 33 -10.347 7.556 2.165 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.344 8.783 2.693 1.00 0.00 C ATOM 554 NH1 ARG A 33 -10.752 8.968 3.944 1.00 0.00 N ATOM 555 NH2 ARG A 33 -9.972 9.831 1.965 1.00 0.00 N ATOM 0 H ARG A 33 -8.104 3.073 3.462 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.733 4.918 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.126 2.968 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.500 3.812 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.016 5.188 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.496 4.952 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.764 6.250 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.310 6.450 3.941 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.104 7.455 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.067 8.173 4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.750 9.905 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.686 9.702 0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.973 10.764 2.377 1.00 0.00 H new ATOM 569 N GLN A 34 -9.959 1.851 5.797 1.00 0.00 N ATOM 570 CA GLN A 34 -10.498 1.027 6.871 1.00 0.00 C ATOM 571 C GLN A 34 -10.212 1.705 8.207 1.00 0.00 C ATOM 572 O GLN A 34 -11.054 1.734 9.102 1.00 0.00 O ATOM 573 CB GLN A 34 -9.879 -0.372 6.848 1.00 0.00 C ATOM 574 CG GLN A 34 -10.549 -1.353 7.803 1.00 0.00 C ATOM 575 CD GLN A 34 -9.824 -2.685 7.893 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.448 -3.727 8.077 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.503 -2.661 7.796 1.00 0.00 N ATOM 0 H GLN A 34 -9.164 1.441 5.306 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.574 0.920 6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.936 -0.769 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.822 -0.296 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.601 -0.906 8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.575 -1.525 7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.019 -1.776 7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.970 -3.527 7.874 1.00 0.00 H new ATOM 586 N ALA A 35 -9.012 2.263 8.315 1.00 0.00 N ATOM 587 CA ALA A 35 -8.629 3.060 9.475 1.00 0.00 C ATOM 588 C ALA A 35 -9.240 4.457 9.383 1.00 0.00 C ATOM 589 O ALA A 35 -9.198 5.229 10.342 1.00 0.00 O ATOM 590 CB ALA A 35 -7.111 3.151 9.568 1.00 0.00 C ATOM 0 H ALA A 35 -8.282 2.177 7.608 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.007 2.575 10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.835 3.748 10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.692 2.150 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.719 3.620 8.666 1.00 0.00 H new ATOM 596 N GLU A 36 -9.808 4.759 8.214 1.00 0.00 N ATOM 597 CA GLU A 36 -10.402 6.063 7.920 1.00 0.00 C ATOM 598 C GLU A 36 -9.349 7.164 7.962 1.00 0.00 C ATOM 599 O GLU A 36 -9.622 8.303 8.344 1.00 0.00 O ATOM 600 CB GLU A 36 -11.568 6.362 8.867 1.00 0.00 C ATOM 601 CG GLU A 36 -12.808 5.533 8.566 1.00 0.00 C ATOM 602 CD GLU A 36 -13.991 5.893 9.438 1.00 0.00 C ATOM 603 OE1 GLU A 36 -14.337 7.089 9.519 1.00 0.00 O ATOM 604 OE2 GLU A 36 -14.597 4.977 10.035 1.00 0.00 O ATOM 0 H GLU A 36 -9.869 4.099 7.439 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.804 6.032 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.252 6.174 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.821 7.420 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.082 5.667 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.573 4.477 8.701 1.00 0.00 H new ATOM 611 N GLN A 37 -8.148 6.816 7.529 1.00 0.00 N ATOM 612 CA GLN A 37 -7.052 7.765 7.445 1.00 0.00 C ATOM 613 C GLN A 37 -6.821 8.156 5.988 1.00 0.00 C ATOM 614 O GLN A 37 -7.021 7.345 5.082 1.00 0.00 O ATOM 615 CB GLN A 37 -5.787 7.150 8.051 1.00 0.00 C ATOM 616 CG GLN A 37 -5.350 5.871 7.354 1.00 0.00 C ATOM 617 CD GLN A 37 -4.300 5.095 8.121 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.235 3.870 8.037 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.472 5.790 8.879 1.00 0.00 N ATOM 0 H GLN A 37 -7.907 5.872 7.227 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.302 8.664 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.977 7.878 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.963 6.940 9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.221 5.234 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.959 6.119 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.554 6.806 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.750 5.311 9.418 1.00 0.00 H new ATOM 628 N ASP A 38 -6.415 9.395 5.760 1.00 0.00 N ATOM 629 CA ASP A 38 -6.204 9.883 4.399 1.00 0.00 C ATOM 630 C ASP A 38 -4.764 9.666 3.974 1.00 0.00 C ATOM 631 O ASP A 38 -4.404 9.887 2.819 1.00 0.00 O ATOM 632 CB ASP A 38 -6.540 11.374 4.290 1.00 0.00 C ATOM 633 CG ASP A 38 -7.984 11.682 4.628 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.297 11.857 5.824 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.815 11.782 3.696 1.00 0.00 O ATOM 0 H ASP A 38 -6.225 10.080 6.492 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.867 9.321 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.888 11.937 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.329 11.715 3.276 1.00 0.00 H new ATOM 640 N ILE A 39 -3.945 9.229 4.913 1.00 0.00 N ATOM 641 CA ILE A 39 -2.525 9.047 4.672 1.00 0.00 C ATOM 642 C ILE A 39 -2.148 7.586 4.859 1.00 0.00 C ATOM 643 O ILE A 39 -2.496 6.980 5.872 1.00 0.00 O ATOM 644 CB ILE A 39 -1.688 9.917 5.634 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.123 11.383 5.546 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.203 9.784 5.326 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.532 12.254 6.632 1.00 0.00 C ATOM 0 H ILE A 39 -4.243 8.991 5.859 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.314 9.353 3.647 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.860 9.564 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.834 11.782 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.210 11.435 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.369 10.405 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.100 8.743 5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.013 10.108 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.883 13.279 6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.842 11.880 7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.444 12.232 6.564 1.00 0.00 H new ATOM 659 N VAL A 40 -1.448 7.019 3.890 1.00 0.00 N ATOM 660 CA VAL A 40 -1.011 5.635 3.995 1.00 0.00 C ATOM 661 C VAL A 40 0.423 5.570 4.504 1.00 0.00 C ATOM 662 O VAL A 40 1.287 6.339 4.073 1.00 0.00 O ATOM 663 CB VAL A 40 -1.122 4.873 2.650 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.548 4.907 2.125 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.161 5.432 1.615 1.00 0.00 C ATOM 0 H VAL A 40 -1.172 7.490 3.029 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.679 5.147 4.705 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.847 3.835 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.601 4.366 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.214 4.438 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.853 5.942 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.265 4.875 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.389 6.483 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.862 5.340 1.981 1.00 0.00 H new ATOM 675 N THR A 41 0.665 4.680 5.444 1.00 0.00 N ATOM 676 CA THR A 41 2.000 4.475 5.962 1.00 0.00 C ATOM 677 C THR A 41 2.678 3.298 5.256 1.00 0.00 C ATOM 678 O THR A 41 2.001 2.428 4.691 1.00 0.00 O ATOM 679 CB THR A 41 1.969 4.241 7.486 1.00 0.00 C ATOM 680 OG1 THR A 41 0.870 3.385 7.830 1.00 0.00 O ATOM 681 CG2 THR A 41 1.846 5.561 8.231 1.00 0.00 C ATOM 0 H THR A 41 -0.049 4.086 5.866 1.00 0.00 H new ATOM 0 HA THR A 41 2.579 5.377 5.766 1.00 0.00 H new ATOM 0 HB THR A 41 2.904 3.763 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.204 2.605 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.826 5.372 9.304 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.699 6.196 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.925 6.062 7.933 1.00 0.00 H new ATOM 689 N PRO A 42 4.022 3.262 5.264 1.00 0.00 N ATOM 690 CA PRO A 42 4.801 2.218 4.583 1.00 0.00 C ATOM 691 C PRO A 42 4.425 0.809 5.031 1.00 0.00 C ATOM 692 O PRO A 42 4.487 -0.137 4.245 1.00 0.00 O ATOM 693 CB PRO A 42 6.253 2.530 4.975 1.00 0.00 C ATOM 694 CG PRO A 42 6.158 3.459 6.137 1.00 0.00 C ATOM 695 CD PRO A 42 4.898 4.242 5.925 1.00 0.00 C ATOM 0 HA PRO A 42 4.622 2.229 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.792 1.621 5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.793 2.990 4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.124 2.909 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.025 4.117 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.476 4.594 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.066 5.121 5.303 1.00 0.00 H new ATOM 703 N GLU A 43 4.018 0.677 6.287 1.00 0.00 N ATOM 704 CA GLU A 43 3.660 -0.621 6.844 1.00 0.00 C ATOM 705 C GLU A 43 2.355 -1.131 6.237 1.00 0.00 C ATOM 706 O GLU A 43 2.163 -2.336 6.087 1.00 0.00 O ATOM 707 CB GLU A 43 3.550 -0.532 8.367 1.00 0.00 C ATOM 708 CG GLU A 43 4.799 0.034 9.034 1.00 0.00 C ATOM 709 CD GLU A 43 6.052 -0.767 8.725 1.00 0.00 C ATOM 710 OE1 GLU A 43 6.723 -0.472 7.711 1.00 0.00 O ATOM 711 OE2 GLU A 43 6.381 -1.684 9.505 1.00 0.00 O ATOM 0 H GLU A 43 3.927 1.455 6.941 1.00 0.00 H new ATOM 0 HA GLU A 43 4.447 -1.332 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.695 0.092 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.352 -1.526 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.943 1.064 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.648 0.060 10.113 1.00 0.00 H new ATOM 718 N LEU A 44 1.469 -0.211 5.868 1.00 0.00 N ATOM 719 CA LEU A 44 0.234 -0.582 5.184 1.00 0.00 C ATOM 720 C LEU A 44 0.553 -1.089 3.786 1.00 0.00 C ATOM 721 O LEU A 44 -0.042 -2.060 3.311 1.00 0.00 O ATOM 722 CB LEU A 44 -0.732 0.604 5.107 1.00 0.00 C ATOM 723 CG LEU A 44 -1.743 0.705 6.254 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.046 0.850 7.597 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.690 1.871 6.017 1.00 0.00 C ATOM 0 H LEU A 44 1.581 0.790 6.029 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.250 -1.374 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.149 1.524 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.280 0.544 4.167 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.319 -0.220 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.792 0.919 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.410 -0.018 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.435 1.753 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.404 1.933 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.119 2.798 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.227 1.719 5.081 1.00 0.00 H new ATOM 737 N VAL A 45 1.509 -0.431 3.138 1.00 0.00 N ATOM 738 CA VAL A 45 1.991 -0.872 1.834 1.00 0.00 C ATOM 739 C VAL A 45 2.622 -2.254 1.955 1.00 0.00 C ATOM 740 O VAL A 45 2.383 -3.139 1.131 1.00 0.00 O ATOM 741 CB VAL A 45 3.029 0.108 1.243 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.475 -0.337 -0.144 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.468 1.521 1.201 1.00 0.00 C ATOM 0 H VAL A 45 1.965 0.409 3.494 1.00 0.00 H new ATOM 0 HA VAL A 45 1.133 -0.906 1.163 1.00 0.00 H new ATOM 0 HB VAL A 45 3.904 0.105 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.205 0.371 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.927 -1.327 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.612 -0.374 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.214 2.196 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.573 1.539 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.215 1.842 2.211 1.00 0.00 H new ATOM 753 N GLU A 46 3.415 -2.428 3.001 1.00 0.00 N ATOM 754 CA GLU A 46 4.062 -3.699 3.274 1.00 0.00 C ATOM 755 C GLU A 46 3.015 -4.788 3.494 1.00 0.00 C ATOM 756 O GLU A 46 3.099 -5.861 2.907 1.00 0.00 O ATOM 757 CB GLU A 46 4.958 -3.573 4.507 1.00 0.00 C ATOM 758 CG GLU A 46 5.893 -4.753 4.711 1.00 0.00 C ATOM 759 CD GLU A 46 6.871 -4.917 3.567 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.839 -4.131 3.488 1.00 0.00 O ATOM 761 OE2 GLU A 46 6.682 -5.827 2.735 1.00 0.00 O ATOM 0 H GLU A 46 3.626 -1.697 3.680 1.00 0.00 H new ATOM 0 HA GLU A 46 4.676 -3.974 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.551 -2.662 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.330 -3.463 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.445 -4.619 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.305 -5.665 4.817 1.00 0.00 H new ATOM 768 N GLN A 47 2.017 -4.487 4.324 1.00 0.00 N ATOM 769 CA GLN A 47 0.963 -5.445 4.643 1.00 0.00 C ATOM 770 C GLN A 47 0.247 -5.932 3.391 1.00 0.00 C ATOM 771 O GLN A 47 -0.093 -7.107 3.291 1.00 0.00 O ATOM 772 CB GLN A 47 -0.043 -4.841 5.624 1.00 0.00 C ATOM 773 CG GLN A 47 0.019 -5.461 7.013 1.00 0.00 C ATOM 774 CD GLN A 47 -0.711 -6.796 7.119 1.00 0.00 C ATOM 775 OE1 GLN A 47 -1.177 -7.170 8.195 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.837 -7.516 6.011 1.00 0.00 N ATOM 0 H GLN A 47 1.918 -3.584 4.788 1.00 0.00 H new ATOM 0 HA GLN A 47 1.440 -6.305 5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.138 -3.769 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.049 -4.965 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.063 -5.604 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.410 -4.764 7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.439 -7.178 5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.332 -8.408 6.036 1.00 0.00 H new ATOM 785 N ALA A 48 0.024 -5.038 2.437 1.00 0.00 N ATOM 786 CA ALA A 48 -0.595 -5.429 1.177 1.00 0.00 C ATOM 787 C ALA A 48 0.265 -6.465 0.462 1.00 0.00 C ATOM 788 O ALA A 48 -0.237 -7.469 -0.051 1.00 0.00 O ATOM 789 CB ALA A 48 -0.818 -4.220 0.290 1.00 0.00 C ATOM 0 H ALA A 48 0.259 -4.048 2.509 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.566 -5.874 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.281 -4.535 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.472 -3.512 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.139 -3.743 0.078 1.00 0.00 H new ATOM 795 N ARG A 49 1.571 -6.233 0.468 1.00 0.00 N ATOM 796 CA ARG A 49 2.509 -7.140 -0.172 1.00 0.00 C ATOM 797 C ARG A 49 2.658 -8.410 0.654 1.00 0.00 C ATOM 798 O ARG A 49 2.984 -9.471 0.130 1.00 0.00 O ATOM 799 CB ARG A 49 3.864 -6.458 -0.361 1.00 0.00 C ATOM 800 CG ARG A 49 4.930 -7.369 -0.947 1.00 0.00 C ATOM 801 CD ARG A 49 6.205 -6.609 -1.262 1.00 0.00 C ATOM 802 NE ARG A 49 6.661 -5.786 -0.143 1.00 0.00 N ATOM 803 CZ ARG A 49 7.299 -4.628 -0.295 1.00 0.00 C ATOM 804 NH1 ARG A 49 7.552 -4.159 -1.508 1.00 0.00 N ATOM 805 NH2 ARG A 49 7.700 -3.948 0.765 1.00 0.00 N ATOM 0 H ARG A 49 2.004 -5.422 0.910 1.00 0.00 H new ATOM 0 HA ARG A 49 2.122 -7.410 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.738 -5.594 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.209 -6.082 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.149 -8.172 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.550 -7.836 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.989 -7.317 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.039 -5.973 -2.132 1.00 0.00 H new ATOM 0 HE ARG A 49 6.481 -6.117 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.257 -4.686 -2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.041 -3.271 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.521 -4.311 1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.189 -3.061 0.647 1.00 0.00 H new ATOM 819 N LEU A 50 2.413 -8.287 1.949 1.00 0.00 N ATOM 820 CA LEU A 50 2.446 -9.423 2.851 1.00 0.00 C ATOM 821 C LEU A 50 1.317 -10.389 2.493 1.00 0.00 C ATOM 822 O LEU A 50 1.530 -11.599 2.391 1.00 0.00 O ATOM 823 CB LEU A 50 2.307 -8.936 4.301 1.00 0.00 C ATOM 824 CG LEU A 50 3.011 -9.782 5.370 1.00 0.00 C ATOM 825 CD1 LEU A 50 2.388 -11.167 5.482 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.499 -9.879 5.064 1.00 0.00 C ATOM 0 H LEU A 50 2.187 -7.401 2.401 1.00 0.00 H new ATOM 0 HA LEU A 50 3.397 -9.946 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.694 -7.919 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.246 -8.888 4.546 1.00 0.00 H new ATOM 0 HG LEU A 50 2.883 -9.289 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.910 -11.740 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.337 -11.072 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.470 -11.682 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.989 -10.481 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.640 -10.345 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.934 -8.880 5.055 1.00 0.00 H new ATOM 838 N GLU A 51 0.126 -9.835 2.278 1.00 0.00 N ATOM 839 CA GLU A 51 -1.037 -10.624 1.884 1.00 0.00 C ATOM 840 C GLU A 51 -0.726 -11.439 0.633 1.00 0.00 C ATOM 841 O GLU A 51 -0.852 -12.664 0.629 1.00 0.00 O ATOM 842 CB GLU A 51 -2.239 -9.713 1.621 1.00 0.00 C ATOM 843 CG GLU A 51 -2.633 -8.848 2.808 1.00 0.00 C ATOM 844 CD GLU A 51 -3.011 -9.662 4.027 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.105 -10.267 4.022 1.00 0.00 O ATOM 846 OE2 GLU A 51 -2.235 -9.681 5.005 1.00 0.00 O ATOM 0 H GLU A 51 -0.059 -8.836 2.371 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.281 -11.304 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.013 -9.067 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.092 -10.328 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.804 -8.187 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.473 -8.213 2.526 1.00 0.00 H new ATOM 853 N PHE A 52 -0.290 -10.756 -0.421 1.00 0.00 N ATOM 854 CA PHE A 52 0.063 -11.429 -1.667 1.00 0.00 C ATOM 855 C PHE A 52 1.281 -12.330 -1.472 1.00 0.00 C ATOM 856 O PHE A 52 1.416 -13.363 -2.129 1.00 0.00 O ATOM 857 CB PHE A 52 0.330 -10.407 -2.776 1.00 0.00 C ATOM 858 CG PHE A 52 -0.890 -9.631 -3.185 1.00 0.00 C ATOM 859 CD1 PHE A 52 -1.865 -10.217 -3.975 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.056 -8.315 -2.790 1.00 0.00 C ATOM 861 CE1 PHE A 52 -2.987 -9.507 -4.357 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.175 -7.597 -3.168 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.141 -8.195 -3.954 1.00 0.00 C ATOM 0 H PHE A 52 -0.173 -9.743 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.781 -12.052 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.098 -9.710 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.730 -10.925 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.747 -11.241 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.301 -7.843 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.742 -9.977 -4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.294 -6.572 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.016 -7.637 -4.253 1.00 0.00 H new ATOM 873 N GLY A 53 2.150 -11.943 -0.545 1.00 0.00 N ATOM 874 CA GLY A 53 3.340 -12.720 -0.255 1.00 0.00 C ATOM 875 C GLY A 53 3.042 -13.968 0.554 1.00 0.00 C ATOM 876 O GLY A 53 3.941 -14.757 0.835 1.00 0.00 O ATOM 0 H GLY A 53 2.049 -11.097 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.820 -13.005 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.050 -12.099 0.291 1.00 0.00 H new ATOM 880 N GLN A 54 1.794 -14.121 0.973 1.00 0.00 N ATOM 881 CA GLN A 54 1.352 -15.358 1.600 1.00 0.00 C ATOM 882 C GLN A 54 0.398 -16.116 0.683 1.00 0.00 C ATOM 883 O GLN A 54 0.503 -17.332 0.532 1.00 0.00 O ATOM 884 CB GLN A 54 0.665 -15.074 2.940 1.00 0.00 C ATOM 885 CG GLN A 54 1.562 -14.385 3.959 1.00 0.00 C ATOM 886 CD GLN A 54 2.816 -15.178 4.272 1.00 0.00 C ATOM 887 OE1 GLN A 54 2.819 -16.409 4.213 1.00 0.00 O ATOM 888 NE2 GLN A 54 3.886 -14.478 4.614 1.00 0.00 N ATOM 0 H GLN A 54 1.071 -13.406 0.890 1.00 0.00 H new ATOM 0 HA GLN A 54 2.233 -15.974 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.212 -14.451 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.309 -16.014 3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.844 -13.402 3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.001 -14.224 4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.839 -13.460 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.757 -14.957 4.841 1.00 0.00 H new ATOM 897 N LEU A 55 -0.526 -15.384 0.065 1.00 0.00 N ATOM 898 CA LEU A 55 -1.551 -15.986 -0.785 1.00 0.00 C ATOM 899 C LEU A 55 -0.951 -16.644 -2.024 1.00 0.00 C ATOM 900 O LEU A 55 -1.365 -17.738 -2.407 1.00 0.00 O ATOM 901 CB LEU A 55 -2.582 -14.932 -1.197 1.00 0.00 C ATOM 902 CG LEU A 55 -3.380 -14.320 -0.044 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.305 -13.229 -0.558 1.00 0.00 C ATOM 904 CD2 LEU A 55 -4.173 -15.392 0.688 1.00 0.00 C ATOM 0 H LEU A 55 -0.586 -14.368 0.137 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.042 -16.766 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.068 -14.131 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.280 -15.385 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.678 -13.874 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.865 -12.804 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.715 -12.446 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.999 -13.653 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.733 -14.936 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.865 -15.870 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.489 -16.139 1.090 1.00 0.00 H new ATOM 916 N GLU A 56 0.009 -15.982 -2.657 1.00 0.00 N ATOM 917 CA GLU A 56 0.648 -16.535 -3.843 1.00 0.00 C ATOM 918 C GLU A 56 1.685 -17.579 -3.438 1.00 0.00 C ATOM 919 O GLU A 56 1.476 -18.780 -3.614 1.00 0.00 O ATOM 920 CB GLU A 56 1.304 -15.433 -4.680 1.00 0.00 C ATOM 921 CG GLU A 56 1.923 -15.945 -5.974 1.00 0.00 C ATOM 922 CD GLU A 56 2.597 -14.856 -6.781 1.00 0.00 C ATOM 923 OE1 GLU A 56 3.794 -14.587 -6.536 1.00 0.00 O ATOM 924 OE2 GLU A 56 1.940 -14.278 -7.672 1.00 0.00 O ATOM 0 H GLU A 56 0.360 -15.068 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.119 -17.011 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.558 -14.675 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.076 -14.945 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.653 -16.720 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.147 -16.412 -6.581 1.00 0.00 H new ATOM 931 N HIS A 57 2.798 -17.113 -2.890 1.00 0.00 N ATOM 932 CA HIS A 57 3.849 -17.998 -2.403 1.00 0.00 C ATOM 933 C HIS A 57 4.423 -17.466 -1.103 1.00 0.00 C ATOM 934 O HIS A 57 5.046 -16.405 -1.087 1.00 0.00 O ATOM 935 CB HIS A 57 4.975 -18.149 -3.432 1.00 0.00 C ATOM 936 CG HIS A 57 4.625 -19.005 -4.608 1.00 0.00 C ATOM 937 ND1 HIS A 57 4.575 -20.381 -4.546 1.00 0.00 N ATOM 938 CD2 HIS A 57 4.323 -18.679 -5.887 1.00 0.00 C ATOM 939 CE1 HIS A 57 4.263 -20.861 -5.735 1.00 0.00 C ATOM 940 NE2 HIS A 57 4.104 -19.850 -6.568 1.00 0.00 N ATOM 0 H HIS A 57 2.998 -16.120 -2.771 1.00 0.00 H new ATOM 0 HA HIS A 57 3.402 -18.978 -2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.259 -17.159 -3.790 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.849 -18.572 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.265 -17.681 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.156 -21.906 -5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.859 -19.926 -7.555 1.00 0.00 H new ATOM 949 N HIS A 58 4.185 -18.202 -0.020 1.00 0.00 N ATOM 950 CA HIS A 58 4.750 -17.883 1.288 1.00 0.00 C ATOM 951 C HIS A 58 6.237 -17.576 1.166 1.00 0.00 C ATOM 952 O HIS A 58 6.984 -18.346 0.558 1.00 0.00 O ATOM 953 CB HIS A 58 4.521 -19.063 2.246 1.00 0.00 C ATOM 954 CG HIS A 58 5.226 -18.944 3.566 1.00 0.00 C ATOM 955 ND1 HIS A 58 4.735 -18.202 4.617 1.00 0.00 N ATOM 956 CD2 HIS A 58 6.385 -19.491 4.009 1.00 0.00 C ATOM 957 CE1 HIS A 58 5.556 -18.298 5.646 1.00 0.00 C ATOM 958 NE2 HIS A 58 6.566 -19.072 5.303 1.00 0.00 N ATOM 0 H HIS A 58 3.596 -19.035 -0.025 1.00 0.00 H new ATOM 0 HA HIS A 58 4.253 -16.998 1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.451 -19.163 2.428 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.848 -19.980 1.756 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.870 -17.661 4.603 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.044 -20.137 3.447 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.423 -17.823 6.607 1.00 0.00 H new ATOM 967 N HIS A 59 6.650 -16.443 1.732 1.00 0.00 N ATOM 968 CA HIS A 59 8.048 -16.020 1.686 1.00 0.00 C ATOM 969 C HIS A 59 8.959 -17.117 2.213 1.00 0.00 C ATOM 970 O HIS A 59 8.986 -17.393 3.413 1.00 0.00 O ATOM 971 CB HIS A 59 8.274 -14.743 2.501 1.00 0.00 C ATOM 972 CG HIS A 59 7.624 -13.520 1.934 1.00 0.00 C ATOM 973 ND1 HIS A 59 6.905 -12.635 2.701 1.00 0.00 N ATOM 974 CD2 HIS A 59 7.621 -13.017 0.678 1.00 0.00 C ATOM 975 CE1 HIS A 59 6.483 -11.643 1.945 1.00 0.00 C ATOM 976 NE2 HIS A 59 6.906 -11.844 0.708 1.00 0.00 N ATOM 0 H HIS A 59 6.034 -15.800 2.229 1.00 0.00 H new ATOM 0 HA HIS A 59 8.289 -15.817 0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.900 -14.902 3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 59 9.346 -14.564 2.582 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.093 -13.456 -0.188 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.890 -10.805 2.279 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.731 -11.232 -0.089 1.00 0.00 H new ATOM 985 N HIS A 60 9.688 -17.749 1.310 1.00 0.00 N ATOM 986 CA HIS A 60 10.580 -18.830 1.682 1.00 0.00 C ATOM 987 C HIS A 60 12.032 -18.432 1.464 1.00 0.00 C ATOM 988 O HIS A 60 12.651 -18.760 0.450 1.00 0.00 O ATOM 989 CB HIS A 60 10.227 -20.129 0.941 1.00 0.00 C ATOM 990 CG HIS A 60 10.007 -19.986 -0.540 1.00 0.00 C ATOM 991 ND1 HIS A 60 8.816 -19.557 -1.083 1.00 0.00 N ATOM 992 CD2 HIS A 60 10.821 -20.250 -1.589 1.00 0.00 C ATOM 993 CE1 HIS A 60 8.905 -19.568 -2.400 1.00 0.00 C ATOM 994 NE2 HIS A 60 10.112 -19.983 -2.735 1.00 0.00 N ATOM 0 H HIS A 60 9.679 -17.531 0.314 1.00 0.00 H new ATOM 0 HA HIS A 60 10.448 -19.025 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 60 11.028 -20.850 1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 60 9.325 -20.548 1.387 1.00 0.00 H new ATOM 0 HD1 HIS A 60 7.993 -19.275 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.840 -20.605 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.122 -19.285 -3.088 1.00 0.00 H new ATOM 1003 N HIS A 61 12.547 -17.679 2.419 1.00 0.00 N ATOM 1004 CA HIS A 61 13.935 -17.258 2.408 1.00 0.00 C ATOM 1005 C HIS A 61 14.743 -18.140 3.343 1.00 0.00 C ATOM 1006 O HIS A 61 14.377 -18.317 4.504 1.00 0.00 O ATOM 1007 CB HIS A 61 14.050 -15.786 2.831 1.00 0.00 C ATOM 1008 CG HIS A 61 15.451 -15.244 2.796 1.00 0.00 C ATOM 1009 ND1 HIS A 61 16.004 -14.667 1.673 1.00 0.00 N ATOM 1010 CD2 HIS A 61 16.410 -15.188 3.754 1.00 0.00 C ATOM 1011 CE1 HIS A 61 17.240 -14.282 1.939 1.00 0.00 C ATOM 1012 NE2 HIS A 61 17.508 -14.585 3.193 1.00 0.00 N ATOM 0 H HIS A 61 12.016 -17.343 3.222 1.00 0.00 H new ATOM 0 HA HIS A 61 14.329 -17.356 1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.422 -15.181 2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.655 -15.678 3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 61 16.325 -15.550 4.768 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.915 -13.801 1.247 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.390 -14.401 3.670 1.00 0.00 H new ATOM 1021 N HIS A 62 15.820 -18.704 2.828 1.00 0.00 N ATOM 1022 CA HIS A 62 16.710 -19.520 3.636 1.00 0.00 C ATOM 1023 C HIS A 62 17.528 -18.639 4.564 1.00 0.00 C ATOM 1024 O HIS A 62 18.569 -18.117 4.126 1.00 0.00 O ATOM 1025 CB HIS A 62 17.630 -20.366 2.754 1.00 0.00 C ATOM 1026 CG HIS A 62 16.895 -21.401 1.964 1.00 0.00 C ATOM 1027 ND1 HIS A 62 16.872 -21.428 0.590 1.00 0.00 N ATOM 1028 CD2 HIS A 62 16.137 -22.442 2.373 1.00 0.00 C ATOM 1029 CE1 HIS A 62 16.127 -22.438 0.185 1.00 0.00 C ATOM 1030 NE2 HIS A 62 15.668 -23.073 1.247 1.00 0.00 N ATOM 1031 OXT HIS A 62 17.109 -18.453 5.723 1.00 0.00 O ATOM 0 H HIS A 62 16.101 -18.612 1.852 1.00 0.00 H new ATOM 0 HA HIS A 62 16.103 -20.198 4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 62 18.171 -19.712 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 62 18.374 -20.857 3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.937 -22.725 3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.926 -22.701 -0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.065 -23.896 1.234 1.00 0.00 H new TER 1040 HIS A 62