USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 30 TYR OH : rot 23:sc= 0.738 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -139:sc= 0.405 (180deg=-0.543) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.135 X(o=-0.13,f=0) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.0276 (180deg=0) USER MOD Single : A 2 SER OG : rot -61:sc= 0.264 USER MOD Single : A 3 SER OG : rot -56:sc= 0.0768 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -110:sc= -0.401 (180deg=-3.51!) USER MOD Single : A 15 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= -1.62! C(o=-1.6!,f=-1.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00342) USER MOD Single : A 27 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.012) USER MOD Single : A 29 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -6! C(o=-6!,f=-5.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.543 USER MOD Single : A 52 GLN : amide:sc=-0.000169 X(o=-0.00017,f=-0.036) USER MOD Single : A 54 TYR OH : rot 155:sc= 1.28 USER MOD Single : A 59 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.761 F(o=-1.8!,f=-0.76) USER MOD Single : A 64 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.339 1.848 -4.857 1.00 0.00 N ATOM 2 CA GLY A 1 -16.209 0.767 -4.430 1.00 0.00 C ATOM 3 C GLY A 1 -16.141 -0.432 -5.355 1.00 0.00 C ATOM 4 O GLY A 1 -15.118 -0.674 -5.995 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.005 2.374 -4.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.523 1.455 -5.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.865 2.490 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.933 0.460 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.236 1.128 -4.384 1.00 0.00 H new ATOM 8 N SER A 2 -17.233 -1.186 -5.424 1.00 0.00 N ATOM 9 CA SER A 2 -17.292 -2.370 -6.274 1.00 0.00 C ATOM 10 C SER A 2 -18.584 -2.392 -7.086 1.00 0.00 C ATOM 11 O SER A 2 -19.241 -3.427 -7.199 1.00 0.00 O ATOM 12 CB SER A 2 -17.188 -3.638 -5.425 1.00 0.00 C ATOM 13 OG SER A 2 -16.986 -4.781 -6.238 1.00 0.00 O ATOM 0 H SER A 2 -18.089 -0.999 -4.902 1.00 0.00 H new ATOM 0 HA SER A 2 -16.450 -2.334 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.364 -3.540 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.098 -3.762 -4.838 1.00 0.00 H new ATOM 0 HG SER A 2 -17.747 -4.889 -6.846 1.00 0.00 H new ATOM 19 N SER A 3 -18.941 -1.243 -7.649 1.00 0.00 N ATOM 20 CA SER A 3 -20.156 -1.128 -8.448 1.00 0.00 C ATOM 21 C SER A 3 -19.854 -0.510 -9.810 1.00 0.00 C ATOM 22 O SER A 3 -20.609 0.324 -10.307 1.00 0.00 O ATOM 23 CB SER A 3 -21.197 -0.283 -7.712 1.00 0.00 C ATOM 24 OG SER A 3 -22.492 -0.485 -8.252 1.00 0.00 O ATOM 0 H SER A 3 -18.407 -0.378 -7.567 1.00 0.00 H new ATOM 0 HA SER A 3 -20.555 -2.130 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.197 -0.541 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.930 0.771 -7.783 1.00 0.00 H new ATOM 0 HG SER A 3 -22.480 -0.290 -9.212 1.00 0.00 H new ATOM 30 N GLY A 4 -18.742 -0.928 -10.409 1.00 0.00 N ATOM 31 CA GLY A 4 -18.359 -0.406 -11.708 1.00 0.00 C ATOM 32 C GLY A 4 -16.907 0.026 -11.753 1.00 0.00 C ATOM 33 O GLY A 4 -16.169 -0.347 -12.665 1.00 0.00 O ATOM 0 H GLY A 4 -18.101 -1.618 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.532 -1.168 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.996 0.443 -11.957 1.00 0.00 H new ATOM 37 N SER A 5 -16.495 0.817 -10.767 1.00 0.00 N ATOM 38 CA SER A 5 -15.123 1.305 -10.701 1.00 0.00 C ATOM 39 C SER A 5 -14.139 0.220 -11.128 1.00 0.00 C ATOM 40 O SER A 5 -14.346 -0.962 -10.856 1.00 0.00 O ATOM 41 CB SER A 5 -14.795 1.778 -9.283 1.00 0.00 C ATOM 42 OG SER A 5 -13.411 2.046 -9.142 1.00 0.00 O ATOM 0 H SER A 5 -17.092 1.133 -10.003 1.00 0.00 H new ATOM 0 HA SER A 5 -15.029 2.146 -11.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.368 2.677 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.096 1.017 -8.564 1.00 0.00 H new ATOM 0 HG SER A 5 -13.228 2.348 -8.228 1.00 0.00 H new ATOM 48 N SER A 6 -13.068 0.632 -11.798 1.00 0.00 N ATOM 49 CA SER A 6 -12.053 -0.304 -12.267 1.00 0.00 C ATOM 50 C SER A 6 -11.444 -1.075 -11.099 1.00 0.00 C ATOM 51 O SER A 6 -11.135 -0.501 -10.056 1.00 0.00 O ATOM 52 CB SER A 6 -10.954 0.441 -13.028 1.00 0.00 C ATOM 53 OG SER A 6 -10.310 1.389 -12.195 1.00 0.00 O ATOM 0 H SER A 6 -12.880 1.608 -12.028 1.00 0.00 H new ATOM 0 HA SER A 6 -12.533 -1.015 -12.939 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.222 -0.272 -13.406 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.384 0.945 -13.893 1.00 0.00 H new ATOM 0 HG SER A 6 -9.611 1.850 -12.704 1.00 0.00 H new ATOM 59 N GLY A 7 -11.275 -2.381 -11.284 1.00 0.00 N ATOM 60 CA GLY A 7 -10.705 -3.211 -10.239 1.00 0.00 C ATOM 61 C GLY A 7 -9.194 -3.288 -10.320 1.00 0.00 C ATOM 62 O GLY A 7 -8.607 -3.042 -11.375 1.00 0.00 O ATOM 0 H GLY A 7 -11.523 -2.879 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.994 -2.814 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.121 -4.216 -10.310 1.00 0.00 H new ATOM 66 N LYS A 8 -8.559 -3.630 -9.204 1.00 0.00 N ATOM 67 CA LYS A 8 -7.106 -3.740 -9.152 1.00 0.00 C ATOM 68 C LYS A 8 -6.654 -5.153 -9.508 1.00 0.00 C ATOM 69 O LYS A 8 -7.380 -6.129 -9.318 1.00 0.00 O ATOM 70 CB LYS A 8 -6.596 -3.366 -7.759 1.00 0.00 C ATOM 71 CG LYS A 8 -6.727 -1.886 -7.440 1.00 0.00 C ATOM 72 CD LYS A 8 -6.121 -1.024 -8.535 1.00 0.00 C ATOM 73 CE LYS A 8 -7.151 -0.666 -9.596 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.527 -0.489 -10.936 1.00 0.00 N ATOM 0 H LYS A 8 -9.029 -3.836 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.688 -3.049 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.147 -3.940 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.549 -3.656 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.780 -1.631 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.233 -1.672 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.714 -0.112 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.289 -1.554 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.907 -1.450 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.663 0.252 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.261 -0.246 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.824 0.276 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.060 -1.373 -11.221 1.00 0.00 H new ATOM 88 N PRO A 9 -5.426 -5.266 -10.035 1.00 0.00 N ATOM 89 CA PRO A 9 -4.849 -6.556 -10.427 1.00 0.00 C ATOM 90 C PRO A 9 -4.520 -7.433 -9.224 1.00 0.00 C ATOM 91 O PRO A 9 -4.329 -6.935 -8.115 1.00 0.00 O ATOM 92 CB PRO A 9 -3.568 -6.162 -11.167 1.00 0.00 C ATOM 93 CG PRO A 9 -3.205 -4.828 -10.611 1.00 0.00 C ATOM 94 CD PRO A 9 -4.506 -4.145 -10.289 1.00 0.00 C ATOM 0 HA PRO A 9 -5.541 -7.146 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.774 -6.890 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.732 -6.111 -12.243 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.588 -4.932 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.628 -4.249 -11.332 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.414 -3.495 -9.419 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.849 -3.523 -11.116 1.00 0.00 H new ATOM 102 N GLU A 10 -4.456 -8.741 -9.451 1.00 0.00 N ATOM 103 CA GLU A 10 -4.150 -9.687 -8.384 1.00 0.00 C ATOM 104 C GLU A 10 -2.645 -9.907 -8.266 1.00 0.00 C ATOM 105 O GLU A 10 -2.096 -9.935 -7.165 1.00 0.00 O ATOM 106 CB GLU A 10 -4.853 -11.022 -8.639 1.00 0.00 C ATOM 107 CG GLU A 10 -4.666 -11.549 -10.051 1.00 0.00 C ATOM 108 CD GLU A 10 -5.250 -12.936 -10.240 1.00 0.00 C ATOM 109 OE1 GLU A 10 -6.478 -13.041 -10.435 1.00 0.00 O ATOM 110 OE2 GLU A 10 -4.477 -13.915 -10.191 1.00 0.00 O ATOM 0 H GLU A 10 -4.612 -9.170 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.513 -9.266 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.477 -11.761 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.919 -10.905 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.135 -10.863 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.602 -11.572 -10.288 1.00 0.00 H new ATOM 117 N TRP A 11 -1.985 -10.063 -9.408 1.00 0.00 N ATOM 118 CA TRP A 11 -0.543 -10.281 -9.433 1.00 0.00 C ATOM 119 C TRP A 11 0.180 -9.239 -8.586 1.00 0.00 C ATOM 120 O TRP A 11 1.261 -9.498 -8.058 1.00 0.00 O ATOM 121 CB TRP A 11 -0.025 -10.235 -10.872 1.00 0.00 C ATOM 122 CG TRP A 11 -0.388 -8.973 -11.594 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.565 -8.705 -12.233 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.431 -7.810 -11.753 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.526 -7.445 -12.780 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.313 -6.875 -12.499 1.00 0.00 C ATOM 127 CE3 TRP A 11 1.720 -7.467 -11.337 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.192 -5.622 -12.836 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.220 -6.224 -11.673 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.457 -5.313 -12.416 1.00 0.00 C ATOM 0 H TRP A 11 -2.425 -10.043 -10.328 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.342 -11.266 -9.013 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.060 -10.341 -10.864 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.424 -11.087 -11.422 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.403 -9.383 -12.299 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.279 -7.005 -13.310 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.315 -8.162 -10.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.394 -4.919 -13.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.216 -5.949 -11.358 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.876 -4.348 -12.662 1.00 0.00 H new ATOM 141 N MET A 12 -0.424 -8.062 -8.461 1.00 0.00 N ATOM 142 CA MET A 12 0.163 -6.982 -7.676 1.00 0.00 C ATOM 143 C MET A 12 0.096 -7.296 -6.184 1.00 0.00 C ATOM 144 O MET A 12 -0.975 -7.579 -5.648 1.00 0.00 O ATOM 145 CB MET A 12 -0.556 -5.664 -7.965 1.00 0.00 C ATOM 146 CG MET A 12 0.053 -4.879 -9.115 1.00 0.00 C ATOM 147 SD MET A 12 1.784 -4.463 -8.833 1.00 0.00 S ATOM 148 CE MET A 12 1.834 -2.783 -9.452 1.00 0.00 C ATOM 0 H MET A 12 -1.319 -7.832 -8.893 1.00 0.00 H new ATOM 0 HA MET A 12 1.210 -6.886 -7.962 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.602 -5.872 -8.192 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.541 -5.047 -7.067 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.032 -5.462 -10.032 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.517 -3.962 -9.266 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.844 -2.386 -9.346 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.550 -2.774 -10.504 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.139 -2.165 -8.883 1.00 0.00 H new ATOM 158 N MET A 13 1.246 -7.242 -5.521 1.00 0.00 N ATOM 159 CA MET A 13 1.316 -7.520 -4.091 1.00 0.00 C ATOM 160 C MET A 13 1.902 -6.332 -3.334 1.00 0.00 C ATOM 161 O MET A 13 2.292 -5.332 -3.938 1.00 0.00 O ATOM 162 CB MET A 13 2.160 -8.770 -3.833 1.00 0.00 C ATOM 163 CG MET A 13 1.883 -9.902 -4.809 1.00 0.00 C ATOM 164 SD MET A 13 3.326 -10.946 -5.088 1.00 0.00 S ATOM 165 CE MET A 13 4.378 -9.830 -6.013 1.00 0.00 C ATOM 0 H MET A 13 2.141 -7.009 -5.950 1.00 0.00 H new ATOM 0 HA MET A 13 0.302 -7.694 -3.730 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.215 -8.504 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.973 -9.122 -2.818 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.065 -10.513 -4.428 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.552 -9.484 -5.760 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.449 -10.170 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.953 -8.826 -5.990 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.372 -9.814 -5.567 1.00 0.00 H new ATOM 175 N ILE A 14 1.961 -6.449 -2.012 1.00 0.00 N ATOM 176 CA ILE A 14 2.500 -5.384 -1.175 1.00 0.00 C ATOM 177 C ILE A 14 3.671 -5.884 -0.336 1.00 0.00 C ATOM 178 O ILE A 14 3.489 -6.654 0.608 1.00 0.00 O ATOM 179 CB ILE A 14 1.424 -4.804 -0.239 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.248 -4.259 -1.053 1.00 0.00 C ATOM 181 CG2 ILE A 14 2.018 -3.713 0.639 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.742 -3.466 -0.229 1.00 0.00 C ATOM 0 H ILE A 14 1.642 -7.270 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 14 2.846 -4.599 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 14 1.056 -5.602 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.633 -3.626 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.271 -5.091 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.245 -3.313 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.825 -4.130 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.410 -2.913 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.548 -3.111 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.155 -4.102 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.237 -2.613 0.225 1.00 0.00 H new ATOM 194 N HIS A 15 4.875 -5.441 -0.686 1.00 0.00 N ATOM 195 CA HIS A 15 6.077 -5.841 0.037 1.00 0.00 C ATOM 196 C HIS A 15 5.985 -5.444 1.507 1.00 0.00 C ATOM 197 O HIS A 15 6.024 -6.297 2.394 1.00 0.00 O ATOM 198 CB HIS A 15 7.314 -5.207 -0.599 1.00 0.00 C ATOM 199 CG HIS A 15 8.601 -5.835 -0.161 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.684 -5.998 -1.000 1.00 0.00 N ATOM 201 CD2 HIS A 15 8.977 -6.341 1.037 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.668 -6.578 -0.337 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.265 -6.796 0.902 1.00 0.00 N ATOM 0 H HIS A 15 5.044 -4.805 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 15 6.163 -6.926 -0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.233 -5.282 -1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.335 -4.145 -0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.375 -6.380 1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.638 -6.831 -0.740 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.820 -7.231 1.638 1.00 0.00 H new ATOM 212 N ARG A 16 5.864 -4.144 1.757 1.00 0.00 N ATOM 213 CA ARG A 16 5.768 -3.634 3.120 1.00 0.00 C ATOM 214 C ARG A 16 5.489 -2.134 3.120 1.00 0.00 C ATOM 215 O ARG A 16 5.932 -1.410 2.229 1.00 0.00 O ATOM 216 CB ARG A 16 7.060 -3.924 3.887 1.00 0.00 C ATOM 217 CG ARG A 16 8.289 -3.266 3.281 1.00 0.00 C ATOM 218 CD ARG A 16 9.527 -3.509 4.129 1.00 0.00 C ATOM 219 NE ARG A 16 10.737 -2.997 3.492 1.00 0.00 N ATOM 220 CZ ARG A 16 11.963 -3.247 3.936 1.00 0.00 C ATOM 221 NH1 ARG A 16 12.142 -3.999 5.013 1.00 0.00 N ATOM 222 NH2 ARG A 16 13.015 -2.745 3.301 1.00 0.00 N ATOM 0 H ARG A 16 5.830 -3.425 1.034 1.00 0.00 H new ATOM 0 HA ARG A 16 4.939 -4.140 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.946 -3.583 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.216 -5.002 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.453 -3.655 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.118 -2.194 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.400 -3.032 5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.638 -4.578 4.310 1.00 0.00 H new ATOM 0 HE ARG A 16 10.635 -2.415 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.336 -4.388 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.085 -4.189 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.882 -2.167 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.957 -2.937 3.643 1.00 0.00 H new ATOM 236 N ILE A 17 4.751 -1.675 4.126 1.00 0.00 N ATOM 237 CA ILE A 17 4.413 -0.262 4.242 1.00 0.00 C ATOM 238 C ILE A 17 5.645 0.571 4.578 1.00 0.00 C ATOM 239 O ILE A 17 5.974 0.769 5.748 1.00 0.00 O ATOM 240 CB ILE A 17 3.339 -0.027 5.320 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.001 -0.624 4.877 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.193 1.460 5.607 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.044 -0.876 6.020 1.00 0.00 C ATOM 0 H ILE A 17 4.376 -2.261 4.872 1.00 0.00 H new ATOM 0 HA ILE A 17 4.019 0.049 3.275 1.00 0.00 H new ATOM 0 HB ILE A 17 3.651 -0.525 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.530 0.051 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.186 -1.563 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.430 1.610 6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.144 1.857 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.900 1.980 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.117 -1.299 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.495 -1.575 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.829 0.064 6.528 1.00 0.00 H new ATOM 255 N LEU A 18 6.322 1.060 3.544 1.00 0.00 N ATOM 256 CA LEU A 18 7.518 1.875 3.729 1.00 0.00 C ATOM 257 C LEU A 18 7.245 3.033 4.683 1.00 0.00 C ATOM 258 O LEU A 18 8.034 3.304 5.587 1.00 0.00 O ATOM 259 CB LEU A 18 8.005 2.412 2.382 1.00 0.00 C ATOM 260 CG LEU A 18 8.102 1.391 1.247 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.734 2.021 0.016 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.896 0.172 1.693 1.00 0.00 C ATOM 0 H LEU A 18 6.063 0.906 2.569 1.00 0.00 H new ATOM 0 HA LEU A 18 8.294 1.246 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.334 3.211 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.988 2.860 2.526 1.00 0.00 H new ATOM 0 HG LEU A 18 7.094 1.067 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.795 1.280 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.125 2.862 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.736 2.373 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.955 -0.544 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.902 0.478 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.401 -0.293 2.546 1.00 0.00 H new ATOM 274 N ASN A 19 6.121 3.712 4.475 1.00 0.00 N ATOM 275 CA ASN A 19 5.743 4.841 5.318 1.00 0.00 C ATOM 276 C ASN A 19 4.316 5.288 5.019 1.00 0.00 C ATOM 277 O ASN A 19 3.624 4.687 4.196 1.00 0.00 O ATOM 278 CB ASN A 19 6.710 6.007 5.107 1.00 0.00 C ATOM 279 CG ASN A 19 6.720 6.969 6.280 1.00 0.00 C ATOM 280 OD1 ASN A 19 6.339 8.132 6.146 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.156 6.486 7.437 1.00 0.00 N ATOM 0 H ASN A 19 5.457 3.500 3.731 1.00 0.00 H new ATOM 0 HA ASN A 19 5.794 4.520 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.716 5.618 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.433 6.546 4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.185 7.086 8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.462 5.515 7.501 1.00 0.00 H new ATOM 288 N HIS A 20 3.881 6.349 5.693 1.00 0.00 N ATOM 289 CA HIS A 20 2.536 6.879 5.499 1.00 0.00 C ATOM 290 C HIS A 20 2.553 8.404 5.456 1.00 0.00 C ATOM 291 O HIS A 20 3.422 9.041 6.051 1.00 0.00 O ATOM 292 CB HIS A 20 1.610 6.399 6.617 1.00 0.00 C ATOM 293 CG HIS A 20 1.806 7.126 7.911 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.690 6.706 8.883 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.229 8.252 8.391 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.646 7.542 9.905 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.767 8.490 9.631 1.00 0.00 N ATOM 0 H HIS A 20 4.440 6.858 6.378 1.00 0.00 H new ATOM 0 HA HIS A 20 2.162 6.511 4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.575 6.518 6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.773 5.334 6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.483 8.852 7.891 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.229 7.464 10.811 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.527 9.271 10.242 1.00 0.00 H new ATOM 306 N SER A 21 1.589 8.982 4.749 1.00 0.00 N ATOM 307 CA SER A 21 1.496 10.432 4.625 1.00 0.00 C ATOM 308 C SER A 21 0.055 10.866 4.375 1.00 0.00 C ATOM 309 O SER A 21 -0.597 10.390 3.445 1.00 0.00 O ATOM 310 CB SER A 21 2.393 10.927 3.488 1.00 0.00 C ATOM 311 OG SER A 21 2.060 12.252 3.115 1.00 0.00 O ATOM 0 H SER A 21 0.860 8.469 4.253 1.00 0.00 H new ATOM 0 HA SER A 21 1.832 10.873 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.437 10.885 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.291 10.267 2.627 1.00 0.00 H new ATOM 0 HG SER A 21 2.648 12.545 2.388 1.00 0.00 H new ATOM 317 N VAL A 22 -0.438 11.772 5.214 1.00 0.00 N ATOM 318 CA VAL A 22 -1.801 12.272 5.085 1.00 0.00 C ATOM 319 C VAL A 22 -1.813 13.734 4.656 1.00 0.00 C ATOM 320 O VAL A 22 -1.498 14.626 5.444 1.00 0.00 O ATOM 321 CB VAL A 22 -2.578 12.130 6.408 1.00 0.00 C ATOM 322 CG1 VAL A 22 -1.736 12.619 7.576 1.00 0.00 C ATOM 323 CG2 VAL A 22 -3.895 12.887 6.335 1.00 0.00 C ATOM 0 H VAL A 22 0.087 12.174 5.990 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.288 11.669 4.319 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.800 11.075 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.301 12.511 8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.822 12.029 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.481 13.668 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.431 12.776 7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.698 13.943 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.501 12.485 5.523 1.00 0.00 H new ATOM 333 N ASP A 23 -2.178 13.974 3.401 1.00 0.00 N ATOM 334 CA ASP A 23 -2.232 15.330 2.867 1.00 0.00 C ATOM 335 C ASP A 23 -3.043 16.243 3.781 1.00 0.00 C ATOM 336 O ASP A 23 -3.606 15.797 4.781 1.00 0.00 O ATOM 337 CB ASP A 23 -2.839 15.323 1.463 1.00 0.00 C ATOM 338 CG ASP A 23 -2.303 16.445 0.595 1.00 0.00 C ATOM 339 OD1 ASP A 23 -2.762 17.595 0.762 1.00 0.00 O ATOM 340 OD2 ASP A 23 -1.425 16.174 -0.250 1.00 0.00 O ATOM 0 H ASP A 23 -2.441 13.248 2.735 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.213 15.714 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.630 14.366 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.923 15.412 1.538 1.00 0.00 H new ATOM 345 N LYS A 24 -3.099 17.523 3.432 1.00 0.00 N ATOM 346 CA LYS A 24 -3.841 18.500 4.219 1.00 0.00 C ATOM 347 C LYS A 24 -5.340 18.224 4.158 1.00 0.00 C ATOM 348 O LYS A 24 -6.092 18.620 5.048 1.00 0.00 O ATOM 349 CB LYS A 24 -3.552 19.917 3.717 1.00 0.00 C ATOM 350 CG LYS A 24 -4.403 20.984 4.383 1.00 0.00 C ATOM 351 CD LYS A 24 -3.673 22.314 4.457 1.00 0.00 C ATOM 352 CE LYS A 24 -3.709 23.044 3.123 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.920 24.307 3.160 1.00 0.00 N ATOM 0 H LYS A 24 -2.638 17.909 2.608 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.516 18.415 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.500 20.146 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.717 19.953 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.332 21.109 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.673 20.660 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.128 22.938 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.638 22.146 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.316 22.393 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.743 23.269 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.970 24.775 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.311 24.939 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.928 24.090 3.386 1.00 0.00 H new ATOM 367 N LYS A 25 -5.767 17.540 3.102 1.00 0.00 N ATOM 368 CA LYS A 25 -7.176 17.207 2.925 1.00 0.00 C ATOM 369 C LYS A 25 -7.659 16.278 4.034 1.00 0.00 C ATOM 370 O LYS A 25 -8.757 16.445 4.563 1.00 0.00 O ATOM 371 CB LYS A 25 -7.398 16.549 1.561 1.00 0.00 C ATOM 372 CG LYS A 25 -7.583 17.544 0.428 1.00 0.00 C ATOM 373 CD LYS A 25 -6.250 17.959 -0.173 1.00 0.00 C ATOM 374 CE LYS A 25 -5.739 16.924 -1.164 1.00 0.00 C ATOM 375 NZ LYS A 25 -6.439 17.019 -2.475 1.00 0.00 N ATOM 0 H LYS A 25 -5.158 17.205 2.356 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.751 18.132 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.547 15.907 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.277 15.906 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.211 17.103 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.106 18.425 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.359 18.921 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.518 18.095 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.668 17.062 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.877 15.925 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.473 16.079 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.408 17.367 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.926 17.677 -3.096 1.00 0.00 H new ATOM 389 N GLY A 26 -6.830 15.298 4.382 1.00 0.00 N ATOM 390 CA GLY A 26 -7.191 14.358 5.428 1.00 0.00 C ATOM 391 C GLY A 26 -7.019 12.916 4.995 1.00 0.00 C ATOM 392 O GLY A 26 -6.871 12.023 5.830 1.00 0.00 O ATOM 0 H GLY A 26 -5.916 15.138 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.577 14.546 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.228 14.525 5.721 1.00 0.00 H new ATOM 396 N HIS A 27 -7.040 12.686 3.686 1.00 0.00 N ATOM 397 CA HIS A 27 -6.887 11.340 3.143 1.00 0.00 C ATOM 398 C HIS A 27 -5.504 10.781 3.462 1.00 0.00 C ATOM 399 O HIS A 27 -4.491 11.288 2.978 1.00 0.00 O ATOM 400 CB HIS A 27 -7.111 11.349 1.631 1.00 0.00 C ATOM 401 CG HIS A 27 -8.545 11.531 1.239 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.213 10.660 0.405 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.439 12.490 1.573 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.456 11.077 0.241 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.619 12.185 0.940 1.00 0.00 N ATOM 0 H HIS A 27 -7.161 13.414 2.982 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.635 10.699 3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.518 12.149 1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.745 10.412 1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.258 13.338 2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.210 10.594 -0.362 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.481 12.727 1.000 1.00 0.00 H new ATOM 414 N VAL A 28 -5.468 9.733 4.279 1.00 0.00 N ATOM 415 CA VAL A 28 -4.209 9.105 4.661 1.00 0.00 C ATOM 416 C VAL A 28 -3.677 8.215 3.544 1.00 0.00 C ATOM 417 O VAL A 28 -4.408 7.395 2.987 1.00 0.00 O ATOM 418 CB VAL A 28 -4.369 8.262 5.941 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.117 7.436 6.196 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.679 9.157 7.132 1.00 0.00 C ATOM 0 H VAL A 28 -6.296 9.301 4.689 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.498 9.910 4.850 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.205 7.577 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.248 6.847 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.944 6.768 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.261 8.100 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.789 8.546 8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.865 9.867 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.606 9.700 6.947 1.00 0.00 H new ATOM 430 N HIS A 29 -2.399 8.381 3.220 1.00 0.00 N ATOM 431 CA HIS A 29 -1.767 7.591 2.169 1.00 0.00 C ATOM 432 C HIS A 29 -0.689 6.680 2.747 1.00 0.00 C ATOM 433 O HIS A 29 -0.052 7.012 3.747 1.00 0.00 O ATOM 434 CB HIS A 29 -1.161 8.509 1.107 1.00 0.00 C ATOM 435 CG HIS A 29 -2.168 9.378 0.420 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.515 9.346 0.713 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.019 10.308 -0.552 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.151 10.218 -0.049 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.266 10.815 -0.826 1.00 0.00 N ATOM 0 H HIS A 29 -1.780 9.056 3.670 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.533 6.968 1.706 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.406 9.142 1.574 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.650 7.900 0.361 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.092 10.598 -1.024 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.214 10.410 -0.038 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.474 11.535 -1.517 1.00 0.00 H new ATOM 448 N TYR A 30 -0.490 5.531 2.112 1.00 0.00 N ATOM 449 CA TYR A 30 0.509 4.570 2.565 1.00 0.00 C ATOM 450 C TYR A 30 1.480 4.223 1.441 1.00 0.00 C ATOM 451 O TYR A 30 1.081 3.708 0.395 1.00 0.00 O ATOM 452 CB TYR A 30 -0.171 3.299 3.077 1.00 0.00 C ATOM 453 CG TYR A 30 -0.992 3.514 4.328 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.399 3.485 5.585 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.360 3.744 4.254 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.145 3.680 6.731 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.114 3.941 5.395 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.502 3.908 6.631 1.00 0.00 C ATOM 459 OH TYR A 30 -3.250 4.103 7.770 1.00 0.00 O ATOM 0 H TYR A 30 -1.007 5.242 1.282 1.00 0.00 H new ATOM 0 HA TYR A 30 1.072 5.026 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.816 2.901 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.590 2.545 3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.663 3.307 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.842 3.769 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.669 3.654 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.176 4.120 5.320 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.666 4.406 8.497 1.00 0.00 H new ATOM 469 N LEU A 31 2.758 4.508 1.663 1.00 0.00 N ATOM 470 CA LEU A 31 3.789 4.226 0.671 1.00 0.00 C ATOM 471 C LEU A 31 3.923 2.725 0.435 1.00 0.00 C ATOM 472 O LEU A 31 4.690 2.046 1.117 1.00 0.00 O ATOM 473 CB LEU A 31 5.132 4.804 1.123 1.00 0.00 C ATOM 474 CG LEU A 31 6.305 4.609 0.161 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.866 4.860 -1.273 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.460 5.525 0.536 1.00 0.00 C ATOM 0 H LEU A 31 3.105 4.935 2.522 1.00 0.00 H new ATOM 0 HA LEU A 31 3.494 4.698 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.005 5.872 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.395 4.354 2.080 1.00 0.00 H new ATOM 0 HG LEU A 31 6.647 3.577 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.713 4.717 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.072 4.162 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.498 5.882 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.286 5.373 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.132 6.563 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.792 5.296 1.549 1.00 0.00 H new ATOM 488 N ILE A 32 3.173 2.215 -0.536 1.00 0.00 N ATOM 489 CA ILE A 32 3.210 0.796 -0.864 1.00 0.00 C ATOM 490 C ILE A 32 4.384 0.474 -1.782 1.00 0.00 C ATOM 491 O ILE A 32 4.524 1.056 -2.858 1.00 0.00 O ATOM 492 CB ILE A 32 1.904 0.340 -1.541 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.709 0.598 -0.620 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.985 -1.134 -1.911 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.629 0.360 -1.285 1.00 0.00 C ATOM 0 H ILE A 32 2.532 2.764 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 32 3.329 0.258 0.077 1.00 0.00 H new ATOM 0 HB ILE A 32 1.766 0.917 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.790 -0.046 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.751 1.627 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.054 -1.441 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.815 -1.291 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.143 -1.727 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.430 0.562 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.731 1.023 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.691 -0.676 -1.617 1.00 0.00 H new ATOM 507 N LYS A 33 5.226 -0.459 -1.351 1.00 0.00 N ATOM 508 CA LYS A 33 6.388 -0.862 -2.134 1.00 0.00 C ATOM 509 C LYS A 33 6.102 -2.143 -2.911 1.00 0.00 C ATOM 510 O LYS A 33 6.274 -3.246 -2.392 1.00 0.00 O ATOM 511 CB LYS A 33 7.599 -1.067 -1.221 1.00 0.00 C ATOM 512 CG LYS A 33 8.796 -1.680 -1.926 1.00 0.00 C ATOM 513 CD LYS A 33 9.667 -2.469 -0.963 1.00 0.00 C ATOM 514 CE LYS A 33 11.014 -2.811 -1.581 1.00 0.00 C ATOM 515 NZ LYS A 33 12.077 -2.956 -0.549 1.00 0.00 N ATOM 0 H LYS A 33 5.125 -0.951 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 33 6.608 -0.067 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.891 -0.106 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.311 -1.708 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.452 -2.335 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.388 -0.892 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.820 -1.890 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.154 -3.387 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.929 -3.738 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.298 -2.031 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.979 -3.189 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.176 -2.063 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.819 -3.717 0.111 1.00 0.00 H new ATOM 529 N TRP A 34 5.668 -1.989 -4.157 1.00 0.00 N ATOM 530 CA TRP A 34 5.360 -3.135 -5.006 1.00 0.00 C ATOM 531 C TRP A 34 6.474 -4.174 -4.943 1.00 0.00 C ATOM 532 O TRP A 34 7.584 -3.936 -5.418 1.00 0.00 O ATOM 533 CB TRP A 34 5.148 -2.682 -6.451 1.00 0.00 C ATOM 534 CG TRP A 34 4.092 -1.628 -6.595 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.257 -0.365 -7.086 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.710 -1.747 -6.243 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.060 0.309 -7.060 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.095 -0.517 -6.548 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.930 -2.773 -5.701 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.739 -0.287 -6.328 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.585 -2.544 -5.483 1.00 0.00 C ATOM 542 CH2 TRP A 34 0.001 -1.309 -5.797 1.00 0.00 C ATOM 0 H TRP A 34 5.521 -1.083 -4.602 1.00 0.00 H new ATOM 0 HA TRP A 34 4.442 -3.593 -4.638 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.089 -2.299 -6.846 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.875 -3.545 -7.058 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.191 0.044 -7.442 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.914 1.269 -7.372 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.371 -3.728 -5.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.287 0.664 -6.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.026 -3.329 -5.064 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.053 -1.161 -5.616 1.00 0.00 H new ATOM 553 N ARG A 35 6.170 -5.326 -4.355 1.00 0.00 N ATOM 554 CA ARG A 35 7.147 -6.401 -4.230 1.00 0.00 C ATOM 555 C ARG A 35 8.004 -6.506 -5.489 1.00 0.00 C ATOM 556 O ARG A 35 9.180 -6.144 -5.483 1.00 0.00 O ATOM 557 CB ARG A 35 6.441 -7.733 -3.968 1.00 0.00 C ATOM 558 CG ARG A 35 6.004 -7.917 -2.524 1.00 0.00 C ATOM 559 CD ARG A 35 5.759 -9.382 -2.198 1.00 0.00 C ATOM 560 NE ARG A 35 5.311 -9.569 -0.821 1.00 0.00 N ATOM 561 CZ ARG A 35 5.322 -10.741 -0.197 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.757 -11.825 -0.825 1.00 0.00 N ATOM 563 NH2 ARG A 35 4.899 -10.831 1.057 1.00 0.00 N ATOM 0 H ARG A 35 5.255 -5.539 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 35 7.798 -6.170 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.567 -7.805 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.109 -8.549 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.769 -7.518 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.094 -7.346 -2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.011 -9.785 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.676 -9.948 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 35 4.971 -8.754 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.084 -11.759 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.765 -12.724 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.565 -9.999 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.908 -11.732 1.535 1.00 0.00 H new ATOM 577 N ASP A 36 7.405 -7.004 -6.565 1.00 0.00 N ATOM 578 CA ASP A 36 8.113 -7.157 -7.831 1.00 0.00 C ATOM 579 C ASP A 36 9.115 -6.025 -8.034 1.00 0.00 C ATOM 580 O ASP A 36 10.293 -6.264 -8.301 1.00 0.00 O ATOM 581 CB ASP A 36 7.120 -7.190 -8.994 1.00 0.00 C ATOM 582 CG ASP A 36 6.656 -5.804 -9.398 1.00 0.00 C ATOM 583 OD1 ASP A 36 5.941 -5.162 -8.601 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.007 -5.362 -10.513 1.00 0.00 O ATOM 0 H ASP A 36 6.432 -7.308 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 36 8.659 -8.100 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.584 -7.679 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.256 -7.792 -8.713 1.00 0.00 H new ATOM 589 N LEU A 37 8.639 -4.791 -7.906 1.00 0.00 N ATOM 590 CA LEU A 37 9.493 -3.620 -8.076 1.00 0.00 C ATOM 591 C LEU A 37 10.341 -3.380 -6.831 1.00 0.00 C ATOM 592 O LEU A 37 9.958 -3.723 -5.713 1.00 0.00 O ATOM 593 CB LEU A 37 8.644 -2.384 -8.375 1.00 0.00 C ATOM 594 CG LEU A 37 7.837 -2.422 -9.673 1.00 0.00 C ATOM 595 CD1 LEU A 37 7.092 -1.111 -9.877 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.747 -2.711 -10.858 1.00 0.00 C ATOM 0 H LEU A 37 7.667 -4.575 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 37 10.160 -3.806 -8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.953 -2.233 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.301 -1.515 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 37 7.104 -3.225 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.523 -1.156 -10.806 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.411 -0.946 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.807 -0.290 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.156 -2.734 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.504 -1.930 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.234 -3.676 -10.716 1.00 0.00 H new ATOM 608 N PRO A 38 11.521 -2.773 -7.027 1.00 0.00 N ATOM 609 CA PRO A 38 12.447 -2.470 -5.931 1.00 0.00 C ATOM 610 C PRO A 38 11.922 -1.369 -5.016 1.00 0.00 C ATOM 611 O PRO A 38 10.751 -0.997 -5.086 1.00 0.00 O ATOM 612 CB PRO A 38 13.713 -2.006 -6.655 1.00 0.00 C ATOM 613 CG PRO A 38 13.232 -1.491 -7.968 1.00 0.00 C ATOM 614 CD PRO A 38 12.043 -2.336 -8.333 1.00 0.00 C ATOM 0 HA PRO A 38 12.603 -3.330 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.230 -1.230 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.418 -2.827 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.956 -0.439 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.012 -1.566 -8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.301 -1.766 -8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.329 -3.184 -8.956 1.00 0.00 H new ATOM 622 N TYR A 39 12.796 -0.851 -4.160 1.00 0.00 N ATOM 623 CA TYR A 39 12.419 0.206 -3.230 1.00 0.00 C ATOM 624 C TYR A 39 12.421 1.566 -3.921 1.00 0.00 C ATOM 625 O TYR A 39 11.566 2.412 -3.655 1.00 0.00 O ATOM 626 CB TYR A 39 13.375 0.228 -2.036 1.00 0.00 C ATOM 627 CG TYR A 39 13.029 1.276 -1.002 1.00 0.00 C ATOM 628 CD1 TYR A 39 12.048 1.040 -0.047 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.682 2.502 -0.982 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.728 1.995 0.899 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.370 3.462 -0.039 1.00 0.00 C ATOM 632 CZ TYR A 39 12.392 3.204 0.899 1.00 0.00 C ATOM 633 OH TYR A 39 12.077 4.159 1.839 1.00 0.00 O ATOM 0 H TYR A 39 13.770 -1.146 -4.091 1.00 0.00 H new ATOM 0 HA TYR A 39 11.409 -0.000 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.373 -0.753 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.388 0.406 -2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.527 0.094 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.447 2.708 -1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.962 1.796 1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.889 4.409 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 39 12.637 4.951 1.701 1.00 0.00 H new ATOM 643 N ASP A 40 13.386 1.769 -4.811 1.00 0.00 N ATOM 644 CA ASP A 40 13.499 3.024 -5.544 1.00 0.00 C ATOM 645 C ASP A 40 12.373 3.163 -6.563 1.00 0.00 C ATOM 646 O ASP A 40 12.209 4.214 -7.182 1.00 0.00 O ATOM 647 CB ASP A 40 14.854 3.108 -6.248 1.00 0.00 C ATOM 648 CG ASP A 40 14.842 4.079 -7.412 1.00 0.00 C ATOM 649 OD1 ASP A 40 14.624 5.286 -7.177 1.00 0.00 O ATOM 650 OD2 ASP A 40 15.053 3.633 -8.559 1.00 0.00 O ATOM 0 H ASP A 40 14.102 1.080 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 40 13.419 3.842 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.615 3.415 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.136 2.118 -6.607 1.00 0.00 H new ATOM 655 N GLN A 41 11.600 2.094 -6.732 1.00 0.00 N ATOM 656 CA GLN A 41 10.490 2.097 -7.678 1.00 0.00 C ATOM 657 C GLN A 41 9.152 2.087 -6.947 1.00 0.00 C ATOM 658 O GLN A 41 8.102 1.889 -7.557 1.00 0.00 O ATOM 659 CB GLN A 41 10.584 0.888 -8.610 1.00 0.00 C ATOM 660 CG GLN A 41 11.637 1.037 -9.696 1.00 0.00 C ATOM 661 CD GLN A 41 11.606 -0.099 -10.700 1.00 0.00 C ATOM 662 OE1 GLN A 41 12.586 -0.826 -10.863 1.00 0.00 O ATOM 663 NE2 GLN A 41 10.476 -0.258 -11.379 1.00 0.00 N ATOM 0 H GLN A 41 11.722 1.216 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 41 10.553 3.010 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.807 0.000 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.613 0.724 -9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.484 1.982 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.624 1.083 -9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.688 0.368 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.396 -1.006 -12.068 1.00 0.00 H new ATOM 672 N ALA A 42 9.198 2.302 -5.636 1.00 0.00 N ATOM 673 CA ALA A 42 7.989 2.320 -4.822 1.00 0.00 C ATOM 674 C ALA A 42 7.071 3.469 -5.226 1.00 0.00 C ATOM 675 O ALA A 42 7.535 4.521 -5.666 1.00 0.00 O ATOM 676 CB ALA A 42 8.347 2.422 -3.347 1.00 0.00 C ATOM 0 H ALA A 42 10.060 2.466 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 42 7.454 1.386 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.434 2.434 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.956 1.565 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.908 3.340 -3.171 1.00 0.00 H new ATOM 682 N SER A 43 5.767 3.260 -5.075 1.00 0.00 N ATOM 683 CA SER A 43 4.784 4.278 -5.429 1.00 0.00 C ATOM 684 C SER A 43 3.778 4.476 -4.300 1.00 0.00 C ATOM 685 O SER A 43 3.387 3.522 -3.627 1.00 0.00 O ATOM 686 CB SER A 43 4.054 3.886 -6.715 1.00 0.00 C ATOM 687 OG SER A 43 3.609 5.033 -7.418 1.00 0.00 O ATOM 0 H SER A 43 5.367 2.396 -4.710 1.00 0.00 H new ATOM 0 HA SER A 43 5.312 5.218 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.719 3.301 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.202 3.250 -6.474 1.00 0.00 H new ATOM 0 HG SER A 43 3.147 4.756 -8.237 1.00 0.00 H new ATOM 693 N TRP A 44 3.363 5.722 -4.098 1.00 0.00 N ATOM 694 CA TRP A 44 2.402 6.047 -3.051 1.00 0.00 C ATOM 695 C TRP A 44 0.994 5.622 -3.452 1.00 0.00 C ATOM 696 O TRP A 44 0.619 5.713 -4.621 1.00 0.00 O ATOM 697 CB TRP A 44 2.429 7.547 -2.753 1.00 0.00 C ATOM 698 CG TRP A 44 3.506 7.941 -1.787 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.715 8.498 -2.091 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.470 7.807 -0.362 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.434 8.718 -0.941 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.692 8.303 0.134 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.524 7.318 0.543 1.00 0.00 C ATOM 704 CZ2 TRP A 44 4.990 8.322 1.493 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.822 7.338 1.892 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.046 7.837 2.357 1.00 0.00 C ATOM 0 H TRP A 44 3.677 6.523 -4.646 1.00 0.00 H new ATOM 0 HA TRP A 44 2.684 5.499 -2.152 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.570 8.093 -3.686 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.462 7.848 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.056 8.731 -3.089 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.368 9.124 -0.895 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.578 6.932 0.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.933 8.706 1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.099 6.962 2.601 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.248 7.839 3.418 1.00 0.00 H new ATOM 717 N GLU A 45 0.219 5.157 -2.477 1.00 0.00 N ATOM 718 CA GLU A 45 -1.147 4.717 -2.731 1.00 0.00 C ATOM 719 C GLU A 45 -2.053 5.042 -1.547 1.00 0.00 C ATOM 720 O GLU A 45 -1.836 4.561 -0.435 1.00 0.00 O ATOM 721 CB GLU A 45 -1.179 3.214 -3.014 1.00 0.00 C ATOM 722 CG GLU A 45 -0.331 2.800 -4.205 1.00 0.00 C ATOM 723 CD GLU A 45 -0.881 3.318 -5.520 1.00 0.00 C ATOM 724 OE1 GLU A 45 -2.103 3.564 -5.597 1.00 0.00 O ATOM 725 OE2 GLU A 45 -0.089 3.478 -6.472 1.00 0.00 O ATOM 0 H GLU A 45 0.514 5.075 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.516 5.252 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.834 2.679 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.210 2.908 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.685 3.170 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.271 1.712 -4.243 1.00 0.00 H new ATOM 732 N SER A 46 -3.069 5.863 -1.794 1.00 0.00 N ATOM 733 CA SER A 46 -4.006 6.257 -0.748 1.00 0.00 C ATOM 734 C SER A 46 -4.537 5.034 -0.006 1.00 0.00 C ATOM 735 O SER A 46 -4.270 3.897 -0.393 1.00 0.00 O ATOM 736 CB SER A 46 -5.169 7.049 -1.348 1.00 0.00 C ATOM 737 OG SER A 46 -6.162 7.314 -0.372 1.00 0.00 O ATOM 0 H SER A 46 -3.264 6.268 -2.709 1.00 0.00 H new ATOM 0 HA SER A 46 -3.474 6.889 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.800 7.988 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.607 6.489 -2.174 1.00 0.00 H new ATOM 0 HG SER A 46 -6.894 7.823 -0.780 1.00 0.00 H new ATOM 743 N GLU A 47 -5.289 5.279 1.062 1.00 0.00 N ATOM 744 CA GLU A 47 -5.857 4.198 1.859 1.00 0.00 C ATOM 745 C GLU A 47 -7.216 3.773 1.311 1.00 0.00 C ATOM 746 O GLU A 47 -8.009 3.140 2.008 1.00 0.00 O ATOM 747 CB GLU A 47 -5.997 4.631 3.320 1.00 0.00 C ATOM 748 CG GLU A 47 -7.024 5.729 3.533 1.00 0.00 C ATOM 749 CD GLU A 47 -7.460 5.848 4.981 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.740 4.801 5.603 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.522 6.985 5.492 1.00 0.00 O ATOM 0 H GLU A 47 -5.519 6.215 1.395 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.180 3.346 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.273 3.765 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.029 4.976 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.606 6.681 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.896 5.531 2.910 1.00 0.00 H new ATOM 758 N ASP A 48 -7.479 4.127 0.057 1.00 0.00 N ATOM 759 CA ASP A 48 -8.741 3.784 -0.586 1.00 0.00 C ATOM 760 C ASP A 48 -8.549 2.650 -1.589 1.00 0.00 C ATOM 761 O ASP A 48 -9.443 1.828 -1.791 1.00 0.00 O ATOM 762 CB ASP A 48 -9.330 5.008 -1.289 1.00 0.00 C ATOM 763 CG ASP A 48 -10.614 4.689 -2.028 1.00 0.00 C ATOM 764 OD1 ASP A 48 -11.589 4.267 -1.371 1.00 0.00 O ATOM 765 OD2 ASP A 48 -10.645 4.862 -3.265 1.00 0.00 O ATOM 0 H ASP A 48 -6.834 4.652 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.434 3.450 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.522 5.789 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.599 5.406 -1.992 1.00 0.00 H new ATOM 770 N VAL A 49 -7.377 2.612 -2.214 1.00 0.00 N ATOM 771 CA VAL A 49 -7.067 1.579 -3.196 1.00 0.00 C ATOM 772 C VAL A 49 -7.359 0.189 -2.642 1.00 0.00 C ATOM 773 O VAL A 49 -7.180 -0.065 -1.451 1.00 0.00 O ATOM 774 CB VAL A 49 -5.592 1.646 -3.634 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.331 2.908 -4.442 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.674 1.579 -2.423 1.00 0.00 C ATOM 0 H VAL A 49 -6.626 3.285 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.704 1.763 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.381 0.787 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.284 2.938 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.963 2.909 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.559 3.783 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.636 1.628 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.885 2.418 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.843 0.643 -1.890 1.00 0.00 H new ATOM 786 N GLU A 50 -7.810 -0.707 -3.514 1.00 0.00 N ATOM 787 CA GLU A 50 -8.127 -2.072 -3.111 1.00 0.00 C ATOM 788 C GLU A 50 -7.010 -3.031 -3.513 1.00 0.00 C ATOM 789 O GLU A 50 -6.811 -3.307 -4.696 1.00 0.00 O ATOM 790 CB GLU A 50 -9.449 -2.519 -3.740 1.00 0.00 C ATOM 791 CG GLU A 50 -9.414 -2.570 -5.258 1.00 0.00 C ATOM 792 CD GLU A 50 -10.800 -2.574 -5.873 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.570 -1.628 -5.605 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.115 -3.523 -6.621 1.00 0.00 O ATOM 0 H GLU A 50 -7.964 -0.512 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.225 -2.090 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.708 -3.506 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.240 -1.838 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.856 -1.712 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.877 -3.464 -5.576 1.00 0.00 H new ATOM 801 N ILE A 51 -6.286 -3.535 -2.520 1.00 0.00 N ATOM 802 CA ILE A 51 -5.190 -4.463 -2.769 1.00 0.00 C ATOM 803 C ILE A 51 -5.281 -5.680 -1.854 1.00 0.00 C ATOM 804 O ILE A 51 -5.781 -5.589 -0.733 1.00 0.00 O ATOM 805 CB ILE A 51 -3.821 -3.785 -2.568 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.750 -2.484 -3.370 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.699 -4.728 -2.976 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.714 -1.511 -2.852 1.00 0.00 C ATOM 0 H ILE A 51 -6.438 -3.316 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.279 -4.784 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.701 -3.545 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.527 -2.720 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.728 -2.003 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.738 -4.235 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.742 -5.630 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.812 -4.995 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.719 -0.612 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.947 -1.246 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.728 -1.973 -2.893 1.00 0.00 H new ATOM 820 N GLN A 52 -4.794 -6.817 -2.340 1.00 0.00 N ATOM 821 CA GLN A 52 -4.820 -8.051 -1.565 1.00 0.00 C ATOM 822 C GLN A 52 -4.324 -7.812 -0.143 1.00 0.00 C ATOM 823 O GLN A 52 -3.223 -7.301 0.064 1.00 0.00 O ATOM 824 CB GLN A 52 -3.963 -9.122 -2.243 1.00 0.00 C ATOM 825 CG GLN A 52 -4.457 -10.539 -2.002 1.00 0.00 C ATOM 826 CD GLN A 52 -5.596 -10.925 -2.925 1.00 0.00 C ATOM 827 OE1 GLN A 52 -5.456 -10.896 -4.148 1.00 0.00 O ATOM 828 NE2 GLN A 52 -6.732 -11.289 -2.343 1.00 0.00 N ATOM 0 H GLN A 52 -4.377 -6.909 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.852 -8.398 -1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.940 -8.932 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.938 -9.037 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.631 -11.236 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.785 -10.634 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.804 -11.298 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.533 -11.559 -2.913 1.00 0.00 H new ATOM 837 N ASP A 53 -5.144 -8.183 0.835 1.00 0.00 N ATOM 838 CA ASP A 53 -4.789 -8.009 2.238 1.00 0.00 C ATOM 839 C ASP A 53 -4.187 -6.628 2.479 1.00 0.00 C ATOM 840 O ASP A 53 -3.234 -6.480 3.244 1.00 0.00 O ATOM 841 CB ASP A 53 -3.801 -9.093 2.674 1.00 0.00 C ATOM 842 CG ASP A 53 -4.339 -10.492 2.448 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.475 -10.769 2.886 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.624 -11.310 1.832 1.00 0.00 O ATOM 0 H ASP A 53 -6.059 -8.606 0.681 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.699 -8.097 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.868 -8.973 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.567 -8.963 3.731 1.00 0.00 H new ATOM 849 N TYR A 54 -4.750 -5.621 1.822 1.00 0.00 N ATOM 850 CA TYR A 54 -4.267 -4.252 1.962 1.00 0.00 C ATOM 851 C TYR A 54 -4.411 -3.768 3.402 1.00 0.00 C ATOM 852 O TYR A 54 -3.491 -3.174 3.964 1.00 0.00 O ATOM 853 CB TYR A 54 -5.032 -3.320 1.020 1.00 0.00 C ATOM 854 CG TYR A 54 -4.512 -1.901 1.019 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.199 -1.620 1.378 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.333 -0.839 0.657 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.720 -0.325 1.379 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.862 0.459 0.654 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.555 0.712 1.015 1.00 0.00 C ATOM 860 OH TYR A 54 -3.081 2.004 1.014 1.00 0.00 O ATOM 0 H TYR A 54 -5.541 -5.726 1.187 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.210 -4.238 1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.979 -3.718 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.084 -3.312 1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.542 -2.429 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.357 -1.033 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.697 -0.125 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.514 1.272 0.370 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.606 2.545 0.388 1.00 0.00 H new ATOM 870 N ASP A 55 -5.573 -4.028 3.992 1.00 0.00 N ATOM 871 CA ASP A 55 -5.838 -3.621 5.367 1.00 0.00 C ATOM 872 C ASP A 55 -4.873 -4.302 6.332 1.00 0.00 C ATOM 873 O ASP A 55 -4.278 -3.653 7.193 1.00 0.00 O ATOM 874 CB ASP A 55 -7.281 -3.955 5.750 1.00 0.00 C ATOM 875 CG ASP A 55 -7.712 -3.274 7.035 1.00 0.00 C ATOM 876 OD1 ASP A 55 -7.434 -3.825 8.120 1.00 0.00 O ATOM 877 OD2 ASP A 55 -8.327 -2.190 6.954 1.00 0.00 O ATOM 0 H ASP A 55 -6.345 -4.518 3.540 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.691 -2.543 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.947 -3.654 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.383 -5.034 5.862 1.00 0.00 H new ATOM 882 N LEU A 56 -4.722 -5.614 6.182 1.00 0.00 N ATOM 883 CA LEU A 56 -3.828 -6.384 7.041 1.00 0.00 C ATOM 884 C LEU A 56 -2.514 -5.642 7.264 1.00 0.00 C ATOM 885 O LEU A 56 -2.095 -5.429 8.402 1.00 0.00 O ATOM 886 CB LEU A 56 -3.554 -7.756 6.424 1.00 0.00 C ATOM 887 CG LEU A 56 -4.739 -8.721 6.379 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.257 -10.151 6.193 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.575 -8.598 7.644 1.00 0.00 C ATOM 0 H LEU A 56 -5.206 -6.166 5.474 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.316 -6.517 8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.192 -7.609 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.747 -8.229 6.984 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.365 -8.457 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.115 -10.823 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.702 -10.229 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.608 -10.427 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.414 -9.292 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.959 -8.834 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.952 -7.579 7.733 1.00 0.00 H new ATOM 901 N PHE A 57 -1.870 -5.248 6.171 1.00 0.00 N ATOM 902 CA PHE A 57 -0.604 -4.529 6.247 1.00 0.00 C ATOM 903 C PHE A 57 -0.742 -3.273 7.104 1.00 0.00 C ATOM 904 O PHE A 57 -0.075 -3.129 8.128 1.00 0.00 O ATOM 905 CB PHE A 57 -0.121 -4.152 4.845 1.00 0.00 C ATOM 906 CG PHE A 57 0.650 -5.246 4.163 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.032 -6.437 3.819 1.00 0.00 C ATOM 908 CD2 PHE A 57 1.993 -5.082 3.865 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.738 -7.445 3.191 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.705 -6.087 3.237 1.00 0.00 C ATOM 911 CZ PHE A 57 2.077 -7.270 2.900 1.00 0.00 C ATOM 0 H PHE A 57 -2.204 -5.415 5.222 1.00 0.00 H new ATOM 0 HA PHE A 57 0.130 -5.187 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.982 -3.888 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.507 -3.263 4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.015 -6.579 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.489 -4.159 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.244 -8.369 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.752 -5.947 3.010 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.632 -8.057 2.410 1.00 0.00 H new ATOM 921 N LYS A 58 -1.614 -2.366 6.676 1.00 0.00 N ATOM 922 CA LYS A 58 -1.843 -1.122 7.402 1.00 0.00 C ATOM 923 C LYS A 58 -2.067 -1.392 8.887 1.00 0.00 C ATOM 924 O LYS A 58 -1.528 -0.691 9.742 1.00 0.00 O ATOM 925 CB LYS A 58 -3.049 -0.382 6.820 1.00 0.00 C ATOM 926 CG LYS A 58 -2.890 -0.021 5.353 1.00 0.00 C ATOM 927 CD LYS A 58 -4.220 -0.073 4.619 1.00 0.00 C ATOM 928 CE LYS A 58 -4.906 1.285 4.612 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.337 1.695 5.977 1.00 0.00 N ATOM 0 H LYS A 58 -2.174 -2.469 5.830 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.955 -0.499 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.937 -1.002 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.217 0.529 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.465 0.979 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.186 -0.708 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.058 -0.405 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.870 -0.808 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.226 2.034 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.773 1.251 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.279 2.133 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.376 0.859 6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.657 2.380 6.365 1.00 0.00 H new ATOM 943 N GLN A 59 -2.865 -2.413 9.184 1.00 0.00 N ATOM 944 CA GLN A 59 -3.159 -2.775 10.566 1.00 0.00 C ATOM 945 C GLN A 59 -1.886 -3.166 11.308 1.00 0.00 C ATOM 946 O GLN A 59 -1.691 -2.793 12.465 1.00 0.00 O ATOM 947 CB GLN A 59 -4.164 -3.927 10.610 1.00 0.00 C ATOM 948 CG GLN A 59 -4.433 -4.445 12.014 1.00 0.00 C ATOM 949 CD GLN A 59 -5.835 -5.001 12.172 1.00 0.00 C ATOM 950 OE1 GLN A 59 -6.684 -4.832 11.297 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.084 -5.669 13.292 1.00 0.00 N ATOM 0 H GLN A 59 -3.319 -3.003 8.487 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.592 -1.905 11.059 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.103 -3.596 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.793 -4.746 9.994 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.708 -5.223 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.284 -3.637 12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.350 -5.785 13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.009 -6.066 13.454 1.00 0.00 H new ATOM 960 N SER A 60 -1.022 -3.921 10.636 1.00 0.00 N ATOM 961 CA SER A 60 0.231 -4.366 11.234 1.00 0.00 C ATOM 962 C SER A 60 1.193 -3.196 11.416 1.00 0.00 C ATOM 963 O SER A 60 1.521 -2.817 12.540 1.00 0.00 O ATOM 964 CB SER A 60 0.880 -5.445 10.365 1.00 0.00 C ATOM 965 OG SER A 60 2.215 -5.692 10.771 1.00 0.00 O ATOM 0 H SER A 60 -1.167 -4.237 9.677 1.00 0.00 H new ATOM 0 HA SER A 60 0.008 -4.785 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.301 -6.366 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.866 -5.133 9.321 1.00 0.00 H new ATOM 0 HG SER A 60 2.607 -6.386 10.201 1.00 0.00 H new ATOM 971 N TYR A 61 1.640 -2.628 10.302 1.00 0.00 N ATOM 972 CA TYR A 61 2.567 -1.503 10.336 1.00 0.00 C ATOM 973 C TYR A 61 2.273 -0.592 11.524 1.00 0.00 C ATOM 974 O TYR A 61 3.182 -0.185 12.248 1.00 0.00 O ATOM 975 CB TYR A 61 2.481 -0.705 9.034 1.00 0.00 C ATOM 976 CG TYR A 61 3.259 0.591 9.066 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.592 0.616 9.458 1.00 0.00 C ATOM 978 CD2 TYR A 61 2.661 1.792 8.703 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.306 1.798 9.489 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.368 2.979 8.730 1.00 0.00 C ATOM 981 CZ TYR A 61 4.690 2.977 9.125 1.00 0.00 C ATOM 982 OH TYR A 61 5.398 4.156 9.153 1.00 0.00 O ATOM 0 H TYR A 61 1.375 -2.928 9.364 1.00 0.00 H new ATOM 0 HA TYR A 61 3.576 -1.899 10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.851 -1.321 8.215 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.435 -0.486 8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.078 -0.305 9.743 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.626 1.798 8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.341 1.799 9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.888 3.903 8.443 1.00 0.00 H new ATOM 0 HH TYR A 61 4.818 4.893 8.867 1.00 0.00 H new ATOM 992 N TRP A 62 0.997 -0.277 11.719 1.00 0.00 N ATOM 993 CA TRP A 62 0.582 0.585 12.819 1.00 0.00 C ATOM 994 C TRP A 62 1.007 -0.002 14.161 1.00 0.00 C ATOM 995 O TRP A 62 1.880 0.539 14.837 1.00 0.00 O ATOM 996 CB TRP A 62 -0.934 0.785 12.793 1.00 0.00 C ATOM 997 CG TRP A 62 -1.375 1.856 11.842 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.345 1.754 10.886 1.00 0.00 C ATOM 999 CD2 TRP A 62 -0.861 3.190 11.754 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.465 2.944 10.209 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.567 3.841 10.723 1.00 0.00 C ATOM 1002 CE3 TRP A 62 0.124 3.897 12.447 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.315 5.164 10.371 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 0.373 5.210 12.096 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.344 5.833 11.066 1.00 0.00 C ATOM 0 H TRP A 62 0.232 -0.606 11.129 1.00 0.00 H new ATOM 0 HA TRP A 62 1.071 1.551 12.695 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.413 -0.155 12.518 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.278 1.036 13.797 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.932 0.868 10.691 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.117 3.129 9.447 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.681 3.426 13.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.866 5.646 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.133 5.766 12.625 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.126 6.861 10.816 1.00 0.00 H new ATOM 1016 N ASN A 63 0.383 -1.113 14.540 1.00 0.00 N ATOM 1017 CA ASN A 63 0.697 -1.773 15.802 1.00 0.00 C ATOM 1018 C ASN A 63 2.205 -1.895 15.991 1.00 0.00 C ATOM 1019 O ASN A 63 2.726 -1.663 17.083 1.00 0.00 O ATOM 1020 CB ASN A 63 0.051 -3.159 15.851 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.461 -3.096 15.750 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -2.017 -3.793 14.766 1.00 0.00 O flip ATOM 1023 ND2 ASN A 63 -2.121 -2.429 16.547 1.00 0.00 N flip ATOM 0 H ASN A 63 -0.343 -1.575 13.991 1.00 0.00 H new ATOM 0 HA ASN A 63 0.296 -1.164 16.612 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.442 -3.768 15.036 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.330 -3.654 16.781 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.652 -1.909 17.288 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.137 -2.397 16.466 1.00 0.00 H new ATOM 1030 N HIS A 64 2.903 -2.262 14.920 1.00 0.00 N ATOM 1031 CA HIS A 64 4.353 -2.414 14.967 1.00 0.00 C ATOM 1032 C HIS A 64 5.033 -1.433 14.018 1.00 0.00 C ATOM 1033 O HIS A 64 6.260 -1.332 13.989 1.00 0.00 O ATOM 1034 CB HIS A 64 4.748 -3.847 14.608 1.00 0.00 C ATOM 1035 CG HIS A 64 4.710 -4.789 15.772 1.00 0.00 C ATOM 1036 ND1 HIS A 64 5.442 -5.956 15.819 1.00 0.00 N ATOM 1037 CD2 HIS A 64 4.023 -4.729 16.937 1.00 0.00 C ATOM 1038 CE1 HIS A 64 5.206 -6.575 16.962 1.00 0.00 C ATOM 1039 NE2 HIS A 64 4.348 -5.851 17.659 1.00 0.00 N ATOM 0 H HIS A 64 2.488 -2.459 14.010 1.00 0.00 H new ATOM 0 HA HIS A 64 4.684 -2.197 15.983 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.078 -4.216 13.831 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.753 -3.843 14.187 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.346 -3.945 17.242 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.640 -7.513 17.274 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.986 -6.087 18.583 1.00 0.00 H new TER 1048 HIS A 64