USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=15 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 29 HIS : no HD1:sc= -2.08 K(o=-2.4,f=-6.4!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.348 USER MOD Set 2.1: A 19 ASN : amide:sc= -1.2 K(o=-2.3,f=-2.9) USER MOD Set 2.2: A 20 HIS : no HD1:sc= -1.11 X(o=-2.3,f=-2.5) USER MOD Set 2.3: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.621 X(o=-0.48,f=-0.48) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -161:sc= 0.138 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00066 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= -1.87 (180deg=-5.32!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.929 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 54 TYR OH : rot 149:sc= 1.22 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.158 K(o=-0.16,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.35 X(o=0.35,f=-0.0086) USER MOD Single : A 64 HIS :FLIP no HD1:sc= 0.0729 F(o=-1.9!,f=0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.369 -0.513 -7.518 1.00 0.00 N ATOM 2 CA GLY A 1 -18.959 0.294 -6.466 1.00 0.00 C ATOM 3 C GLY A 1 -19.586 1.568 -6.996 1.00 0.00 C ATOM 4 O GLY A 1 -20.684 1.544 -7.551 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.954 -1.372 -7.105 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.103 -0.779 -8.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.626 0.033 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.717 -0.291 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.193 0.547 -5.733 1.00 0.00 H new ATOM 8 N SER A 2 -18.886 2.685 -6.824 1.00 0.00 N ATOM 9 CA SER A 2 -19.383 3.977 -7.284 1.00 0.00 C ATOM 10 C SER A 2 -18.456 4.571 -8.339 1.00 0.00 C ATOM 11 O SER A 2 -18.907 5.053 -9.378 1.00 0.00 O ATOM 12 CB SER A 2 -19.520 4.944 -6.106 1.00 0.00 C ATOM 13 OG SER A 2 -20.005 6.204 -6.535 1.00 0.00 O ATOM 0 H SER A 2 -17.973 2.721 -6.370 1.00 0.00 H new ATOM 0 HA SER A 2 -20.364 3.822 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.198 4.524 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.553 5.069 -5.620 1.00 0.00 H new ATOM 0 HG SER A 2 -20.085 6.803 -5.764 1.00 0.00 H new ATOM 19 N SER A 3 -17.156 4.533 -8.064 1.00 0.00 N ATOM 20 CA SER A 3 -16.163 5.071 -8.987 1.00 0.00 C ATOM 21 C SER A 3 -15.791 4.038 -10.047 1.00 0.00 C ATOM 22 O SER A 3 -14.866 3.248 -9.863 1.00 0.00 O ATOM 23 CB SER A 3 -14.911 5.509 -8.225 1.00 0.00 C ATOM 24 OG SER A 3 -13.848 5.802 -9.115 1.00 0.00 O ATOM 0 H SER A 3 -16.766 4.135 -7.210 1.00 0.00 H new ATOM 0 HA SER A 3 -16.598 5.937 -9.485 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.138 6.388 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.606 4.721 -7.537 1.00 0.00 H new ATOM 0 HG SER A 3 -13.060 6.081 -8.603 1.00 0.00 H new ATOM 30 N GLY A 4 -16.520 4.052 -11.159 1.00 0.00 N ATOM 31 CA GLY A 4 -16.253 3.113 -12.233 1.00 0.00 C ATOM 32 C GLY A 4 -16.328 1.671 -11.774 1.00 0.00 C ATOM 33 O GLY A 4 -16.455 1.398 -10.581 1.00 0.00 O ATOM 0 H GLY A 4 -17.291 4.697 -11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.971 3.273 -13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.263 3.309 -12.645 1.00 0.00 H new ATOM 37 N SER A 5 -16.251 0.744 -12.724 1.00 0.00 N ATOM 38 CA SER A 5 -16.317 -0.678 -12.411 1.00 0.00 C ATOM 39 C SER A 5 -14.981 -1.359 -12.693 1.00 0.00 C ATOM 40 O SER A 5 -14.936 -2.461 -13.239 1.00 0.00 O ATOM 41 CB SER A 5 -17.425 -1.350 -13.224 1.00 0.00 C ATOM 42 OG SER A 5 -17.107 -1.366 -14.605 1.00 0.00 O ATOM 0 H SER A 5 -16.143 0.953 -13.717 1.00 0.00 H new ATOM 0 HA SER A 5 -16.541 -0.781 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.572 -2.370 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.365 -0.820 -13.070 1.00 0.00 H new ATOM 0 HG SER A 5 -17.830 -1.802 -15.102 1.00 0.00 H new ATOM 48 N SER A 6 -13.894 -0.694 -12.315 1.00 0.00 N ATOM 49 CA SER A 6 -12.555 -1.231 -12.530 1.00 0.00 C ATOM 50 C SER A 6 -11.962 -1.750 -11.223 1.00 0.00 C ATOM 51 O SER A 6 -12.318 -1.288 -10.140 1.00 0.00 O ATOM 52 CB SER A 6 -11.642 -0.159 -13.127 1.00 0.00 C ATOM 53 OG SER A 6 -10.536 -0.744 -13.792 1.00 0.00 O ATOM 0 H SER A 6 -13.914 0.218 -11.858 1.00 0.00 H new ATOM 0 HA SER A 6 -12.632 -2.063 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.207 0.456 -13.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.287 0.502 -12.337 1.00 0.00 H new ATOM 0 HG SER A 6 -9.969 -0.038 -14.166 1.00 0.00 H new ATOM 59 N GLY A 7 -11.055 -2.715 -11.335 1.00 0.00 N ATOM 60 CA GLY A 7 -10.426 -3.282 -10.156 1.00 0.00 C ATOM 61 C GLY A 7 -8.917 -3.344 -10.277 1.00 0.00 C ATOM 62 O GLY A 7 -8.332 -2.734 -11.172 1.00 0.00 O ATOM 0 H GLY A 7 -10.744 -3.114 -12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.693 -2.686 -9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.815 -4.286 -9.988 1.00 0.00 H new ATOM 66 N LYS A 8 -8.282 -4.082 -9.372 1.00 0.00 N ATOM 67 CA LYS A 8 -6.831 -4.221 -9.380 1.00 0.00 C ATOM 68 C LYS A 8 -6.424 -5.658 -9.690 1.00 0.00 C ATOM 69 O LYS A 8 -7.176 -6.606 -9.459 1.00 0.00 O ATOM 70 CB LYS A 8 -6.250 -3.796 -8.029 1.00 0.00 C ATOM 71 CG LYS A 8 -5.976 -2.306 -7.927 1.00 0.00 C ATOM 72 CD LYS A 8 -4.752 -1.907 -8.735 1.00 0.00 C ATOM 73 CE LYS A 8 -4.551 -0.399 -8.734 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.305 0.262 -9.834 1.00 0.00 N ATOM 0 H LYS A 8 -8.750 -4.593 -8.624 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.433 -3.572 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.942 -4.085 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.322 -4.340 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.844 -1.750 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.828 -2.033 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.868 -2.393 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.861 -2.260 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.873 0.010 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.489 -0.174 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.142 1.289 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.980 -0.109 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.321 0.069 -9.723 1.00 0.00 H new ATOM 88 N PRO A 9 -5.206 -5.827 -10.225 1.00 0.00 N ATOM 89 CA PRO A 9 -4.671 -7.146 -10.577 1.00 0.00 C ATOM 90 C PRO A 9 -4.355 -7.990 -9.346 1.00 0.00 C ATOM 91 O PRO A 9 -4.361 -7.490 -8.222 1.00 0.00 O ATOM 92 CB PRO A 9 -3.388 -6.816 -11.343 1.00 0.00 C ATOM 93 CG PRO A 9 -2.980 -5.475 -10.838 1.00 0.00 C ATOM 94 CD PRO A 9 -4.256 -4.743 -10.528 1.00 0.00 C ATOM 0 HA PRO A 9 -5.386 -7.736 -11.151 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.614 -7.561 -11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.563 -6.798 -12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.357 -5.566 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.394 -4.939 -11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.136 -4.066 -9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.589 -4.141 -11.373 1.00 0.00 H new ATOM 102 N GLU A 10 -4.080 -9.272 -9.568 1.00 0.00 N ATOM 103 CA GLU A 10 -3.762 -10.184 -8.476 1.00 0.00 C ATOM 104 C GLU A 10 -2.252 -10.355 -8.332 1.00 0.00 C ATOM 105 O GLU A 10 -1.719 -10.348 -7.223 1.00 0.00 O ATOM 106 CB GLU A 10 -4.421 -11.545 -8.711 1.00 0.00 C ATOM 107 CG GLU A 10 -4.265 -12.059 -10.133 1.00 0.00 C ATOM 108 CD GLU A 10 -4.883 -13.431 -10.328 1.00 0.00 C ATOM 109 OE1 GLU A 10 -4.701 -14.294 -9.444 1.00 0.00 O ATOM 110 OE2 GLU A 10 -5.547 -13.641 -11.364 1.00 0.00 O ATOM 0 H GLU A 10 -4.071 -9.702 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.151 -9.755 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.991 -12.272 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.482 -11.471 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.729 -11.354 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.206 -12.102 -10.386 1.00 0.00 H new ATOM 117 N TRP A 11 -1.571 -10.511 -9.462 1.00 0.00 N ATOM 118 CA TRP A 11 -0.122 -10.684 -9.462 1.00 0.00 C ATOM 119 C TRP A 11 0.554 -9.623 -8.601 1.00 0.00 C ATOM 120 O TRP A 11 1.623 -9.856 -8.038 1.00 0.00 O ATOM 121 CB TRP A 11 0.419 -10.621 -10.891 1.00 0.00 C ATOM 122 CG TRP A 11 0.044 -9.362 -11.613 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.146 -9.092 -12.225 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.865 -8.204 -11.799 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.115 -7.836 -12.781 1.00 0.00 N ATOM 126 CE2 TRP A 11 0.108 -7.270 -12.532 1.00 0.00 C ATOM 127 CE3 TRP A 11 2.165 -7.864 -11.415 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.610 -6.021 -12.889 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.662 -6.625 -11.771 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.885 -5.715 -12.501 1.00 0.00 C ATOM 0 H TRP A 11 -1.998 -10.521 -10.388 1.00 0.00 H new ATOM 0 HA TRP A 11 0.102 -11.663 -9.039 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.505 -10.706 -10.865 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.045 -11.478 -11.452 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.988 -9.767 -12.266 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.878 -7.396 -13.295 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.770 -8.557 -10.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.013 -5.319 -13.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.666 -6.353 -11.482 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.301 -4.753 -12.762 1.00 0.00 H new ATOM 141 N MET A 12 -0.077 -8.457 -8.503 1.00 0.00 N ATOM 142 CA MET A 12 0.465 -7.360 -7.709 1.00 0.00 C ATOM 143 C MET A 12 0.420 -7.693 -6.221 1.00 0.00 C ATOM 144 O MET A 12 -0.572 -8.225 -5.725 1.00 0.00 O ATOM 145 CB MET A 12 -0.316 -6.072 -7.980 1.00 0.00 C ATOM 146 CG MET A 12 0.253 -5.246 -9.122 1.00 0.00 C ATOM 147 SD MET A 12 1.982 -4.804 -8.866 1.00 0.00 S ATOM 148 CE MET A 12 1.990 -3.112 -9.453 1.00 0.00 C ATOM 0 H MET A 12 -0.963 -8.248 -8.963 1.00 0.00 H new ATOM 0 HA MET A 12 1.505 -7.213 -7.999 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.352 -6.325 -8.206 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.327 -5.466 -7.074 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.159 -5.806 -10.052 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.337 -4.337 -9.237 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.994 -2.699 -9.359 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.685 -3.088 -10.499 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.296 -2.517 -8.859 1.00 0.00 H new ATOM 158 N MET A 13 1.501 -7.376 -5.516 1.00 0.00 N ATOM 159 CA MET A 13 1.583 -7.641 -4.084 1.00 0.00 C ATOM 160 C MET A 13 2.125 -6.427 -3.337 1.00 0.00 C ATOM 161 O MET A 13 2.592 -5.466 -3.950 1.00 0.00 O ATOM 162 CB MET A 13 2.472 -8.857 -3.819 1.00 0.00 C ATOM 163 CG MET A 13 2.226 -10.011 -4.777 1.00 0.00 C ATOM 164 SD MET A 13 3.704 -11.004 -5.064 1.00 0.00 S ATOM 165 CE MET A 13 4.747 -9.821 -5.912 1.00 0.00 C ATOM 0 H MET A 13 2.331 -6.936 -5.912 1.00 0.00 H new ATOM 0 HA MET A 13 0.577 -7.850 -3.720 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.517 -8.555 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.307 -9.202 -2.798 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.437 -10.648 -4.377 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.867 -9.618 -5.728 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.853 -10.113 -6.957 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.294 -8.831 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.729 -9.798 -5.440 1.00 0.00 H new ATOM 175 N ILE A 14 2.061 -6.476 -2.011 1.00 0.00 N ATOM 176 CA ILE A 14 2.547 -5.381 -1.181 1.00 0.00 C ATOM 177 C ILE A 14 3.693 -5.836 -0.284 1.00 0.00 C ATOM 178 O ILE A 14 3.472 -6.331 0.822 1.00 0.00 O ATOM 179 CB ILE A 14 1.424 -4.798 -0.303 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.285 -4.271 -1.178 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.968 -3.693 0.590 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.684 -3.378 -0.435 1.00 0.00 C ATOM 0 H ILE A 14 1.677 -7.263 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 14 2.906 -4.607 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 14 1.032 -5.591 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.708 -3.717 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.261 -5.116 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.162 -3.291 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.748 -4.097 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.384 -2.897 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.465 -3.041 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.135 -3.935 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.151 -2.514 -0.038 1.00 0.00 H new ATOM 194 N HIS A 15 4.920 -5.665 -0.768 1.00 0.00 N ATOM 195 CA HIS A 15 6.102 -6.057 -0.009 1.00 0.00 C ATOM 196 C HIS A 15 5.965 -5.653 1.456 1.00 0.00 C ATOM 197 O HIS A 15 5.866 -6.507 2.338 1.00 0.00 O ATOM 198 CB HIS A 15 7.355 -5.419 -0.611 1.00 0.00 C ATOM 199 CG HIS A 15 8.632 -6.016 -0.106 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.550 -6.634 -0.929 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.143 -6.086 1.145 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.570 -7.059 -0.205 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.348 -6.739 1.057 1.00 0.00 N ATOM 0 H HIS A 15 5.121 -5.258 -1.681 1.00 0.00 H new ATOM 0 HA HIS A 15 6.195 -7.142 -0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.320 -5.521 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.351 -4.351 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.688 -5.700 2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.438 -7.580 -0.581 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.970 -6.944 1.839 1.00 0.00 H new ATOM 212 N ARG A 16 5.962 -4.349 1.708 1.00 0.00 N ATOM 213 CA ARG A 16 5.840 -3.833 3.066 1.00 0.00 C ATOM 214 C ARG A 16 5.535 -2.338 3.055 1.00 0.00 C ATOM 215 O ARG A 16 5.878 -1.632 2.105 1.00 0.00 O ATOM 216 CB ARG A 16 7.125 -4.096 3.852 1.00 0.00 C ATOM 217 CG ARG A 16 8.346 -3.398 3.276 1.00 0.00 C ATOM 218 CD ARG A 16 8.585 -2.052 3.942 1.00 0.00 C ATOM 219 NE ARG A 16 10.001 -1.698 3.969 1.00 0.00 N ATOM 220 CZ ARG A 16 10.890 -2.286 4.762 1.00 0.00 C ATOM 221 NH1 ARG A 16 10.511 -3.251 5.588 1.00 0.00 N ATOM 222 NH2 ARG A 16 12.162 -1.908 4.729 1.00 0.00 N ATOM 0 H ARG A 16 6.043 -3.630 0.989 1.00 0.00 H new ATOM 0 HA ARG A 16 5.013 -4.351 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.983 -3.770 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.310 -5.170 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.224 -4.031 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.213 -3.256 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.029 -1.280 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.198 -2.078 4.961 1.00 0.00 H new ATOM 0 HE ARG A 16 10.325 -0.959 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.534 -3.544 5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.196 -3.701 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.457 -1.166 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.844 -2.360 5.338 1.00 0.00 H new ATOM 236 N ILE A 17 4.890 -1.862 4.115 1.00 0.00 N ATOM 237 CA ILE A 17 4.541 -0.452 4.226 1.00 0.00 C ATOM 238 C ILE A 17 5.769 0.396 4.536 1.00 0.00 C ATOM 239 O ILE A 17 6.167 0.533 5.694 1.00 0.00 O ATOM 240 CB ILE A 17 3.481 -0.219 5.319 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.133 -0.798 4.884 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.352 1.266 5.624 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.145 -0.948 6.020 1.00 0.00 C ATOM 0 H ILE A 17 4.599 -2.433 4.909 1.00 0.00 H new ATOM 0 HA ILE A 17 4.130 -0.152 3.262 1.00 0.00 H new ATOM 0 HB ILE A 17 3.799 -0.730 6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.700 -0.154 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.297 -1.773 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.599 1.414 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.311 1.651 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.053 1.798 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.212 -1.364 5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.558 -1.616 6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.952 0.028 6.465 1.00 0.00 H new ATOM 255 N LEU A 18 6.367 0.966 3.496 1.00 0.00 N ATOM 256 CA LEU A 18 7.550 1.804 3.656 1.00 0.00 C ATOM 257 C LEU A 18 7.287 2.934 4.646 1.00 0.00 C ATOM 258 O LEU A 18 8.104 3.206 5.525 1.00 0.00 O ATOM 259 CB LEU A 18 7.977 2.382 2.306 1.00 0.00 C ATOM 260 CG LEU A 18 7.977 1.407 1.128 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.597 2.055 -0.100 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.720 0.130 1.492 1.00 0.00 C ATOM 0 H LEU A 18 6.052 0.863 2.531 1.00 0.00 H new ATOM 0 HA LEU A 18 8.355 1.182 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.315 3.213 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.981 2.794 2.411 1.00 0.00 H new ATOM 0 HG LEU A 18 6.944 1.148 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.589 1.347 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.023 2.940 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.625 2.343 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.710 -0.552 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.751 0.370 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.232 -0.345 2.344 1.00 0.00 H new ATOM 274 N ASN A 19 6.139 3.588 4.499 1.00 0.00 N ATOM 275 CA ASN A 19 5.767 4.688 5.381 1.00 0.00 C ATOM 276 C ASN A 19 4.341 5.151 5.102 1.00 0.00 C ATOM 277 O ASN A 19 3.652 4.594 4.245 1.00 0.00 O ATOM 278 CB ASN A 19 6.738 5.858 5.208 1.00 0.00 C ATOM 279 CG ASN A 19 6.764 6.770 6.419 1.00 0.00 C ATOM 280 OD1 ASN A 19 6.262 7.894 6.375 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.352 6.290 7.509 1.00 0.00 N ATOM 0 H ASN A 19 5.450 3.375 3.777 1.00 0.00 H new ATOM 0 HA ASN A 19 5.819 4.330 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.741 5.471 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.455 6.435 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.401 6.858 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.755 5.353 7.501 1.00 0.00 H new ATOM 288 N HIS A 20 3.902 6.173 5.830 1.00 0.00 N ATOM 289 CA HIS A 20 2.558 6.712 5.660 1.00 0.00 C ATOM 290 C HIS A 20 2.586 8.236 5.610 1.00 0.00 C ATOM 291 O HIS A 20 3.498 8.868 6.143 1.00 0.00 O ATOM 292 CB HIS A 20 1.650 6.244 6.798 1.00 0.00 C ATOM 293 CG HIS A 20 1.730 7.106 8.020 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.598 6.857 9.062 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.044 8.221 8.363 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.442 7.780 9.994 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.505 8.621 9.593 1.00 0.00 N ATOM 0 H HIS A 20 4.458 6.644 6.543 1.00 0.00 H new ATOM 0 HA HIS A 20 2.162 6.342 4.714 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.619 6.224 6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.915 5.221 7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.277 8.706 7.778 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.987 7.837 10.925 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.177 9.435 10.113 1.00 0.00 H new ATOM 306 N SER A 21 1.581 8.821 4.965 1.00 0.00 N ATOM 307 CA SER A 21 1.494 10.271 4.841 1.00 0.00 C ATOM 308 C SER A 21 0.055 10.708 4.581 1.00 0.00 C ATOM 309 O SER A 21 -0.591 10.234 3.646 1.00 0.00 O ATOM 310 CB SER A 21 2.400 10.763 3.711 1.00 0.00 C ATOM 311 OG SER A 21 2.107 12.107 3.371 1.00 0.00 O ATOM 0 H SER A 21 0.816 8.313 4.521 1.00 0.00 H new ATOM 0 HA SER A 21 1.826 10.712 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.443 10.681 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.272 10.127 2.835 1.00 0.00 H new ATOM 0 HG SER A 21 2.701 12.398 2.648 1.00 0.00 H new ATOM 317 N VAL A 22 -0.441 11.616 5.415 1.00 0.00 N ATOM 318 CA VAL A 22 -1.802 12.119 5.277 1.00 0.00 C ATOM 319 C VAL A 22 -1.842 13.364 4.398 1.00 0.00 C ATOM 320 O VAL A 22 -1.270 14.398 4.742 1.00 0.00 O ATOM 321 CB VAL A 22 -2.420 12.452 6.648 1.00 0.00 C ATOM 322 CG1 VAL A 22 -3.847 12.952 6.483 1.00 0.00 C ATOM 323 CG2 VAL A 22 -2.374 11.238 7.562 1.00 0.00 C ATOM 0 H VAL A 22 0.080 12.019 6.194 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.385 11.327 4.807 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.833 13.247 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.267 13.182 7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.849 13.851 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.449 12.181 6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.815 11.492 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.936 10.421 7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.338 10.930 7.706 1.00 0.00 H new ATOM 333 N ASP A 23 -2.520 13.257 3.261 1.00 0.00 N ATOM 334 CA ASP A 23 -2.636 14.375 2.331 1.00 0.00 C ATOM 335 C ASP A 23 -3.387 15.538 2.971 1.00 0.00 C ATOM 336 O ASP A 23 -4.110 15.360 3.952 1.00 0.00 O ATOM 337 CB ASP A 23 -3.350 13.932 1.053 1.00 0.00 C ATOM 338 CG ASP A 23 -3.303 14.989 -0.032 1.00 0.00 C ATOM 339 OD1 ASP A 23 -2.374 15.823 -0.008 1.00 0.00 O ATOM 340 OD2 ASP A 23 -4.196 14.983 -0.905 1.00 0.00 O ATOM 0 H ASP A 23 -2.998 12.407 2.961 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.630 14.710 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.891 13.015 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.389 13.698 1.283 1.00 0.00 H new ATOM 345 N LYS A 24 -3.211 16.730 2.411 1.00 0.00 N ATOM 346 CA LYS A 24 -3.871 17.923 2.926 1.00 0.00 C ATOM 347 C LYS A 24 -5.367 17.683 3.103 1.00 0.00 C ATOM 348 O LYS A 24 -5.959 18.095 4.101 1.00 0.00 O ATOM 349 CB LYS A 24 -3.642 19.105 1.981 1.00 0.00 C ATOM 350 CG LYS A 24 -4.022 20.447 2.583 1.00 0.00 C ATOM 351 CD LYS A 24 -2.933 20.974 3.504 1.00 0.00 C ATOM 352 CE LYS A 24 -3.508 21.868 4.592 1.00 0.00 C ATOM 353 NZ LYS A 24 -3.749 23.253 4.101 1.00 0.00 N ATOM 0 H LYS A 24 -2.616 16.895 1.599 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.440 18.155 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.591 19.130 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.219 18.948 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.204 21.166 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.954 20.346 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.405 20.137 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.201 21.533 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.444 21.443 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.822 21.897 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.141 23.831 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.852 23.668 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.423 23.228 3.309 1.00 0.00 H new ATOM 367 N LYS A 25 -5.974 17.013 2.129 1.00 0.00 N ATOM 368 CA LYS A 25 -7.400 16.715 2.178 1.00 0.00 C ATOM 369 C LYS A 25 -7.747 15.919 3.432 1.00 0.00 C ATOM 370 O LYS A 25 -8.805 16.113 4.030 1.00 0.00 O ATOM 371 CB LYS A 25 -7.822 15.933 0.932 1.00 0.00 C ATOM 372 CG LYS A 25 -7.668 16.718 -0.359 1.00 0.00 C ATOM 373 CD LYS A 25 -8.689 16.288 -1.399 1.00 0.00 C ATOM 374 CE LYS A 25 -8.493 14.835 -1.805 1.00 0.00 C ATOM 375 NZ LYS A 25 -9.648 14.318 -2.591 1.00 0.00 N ATOM 0 H LYS A 25 -5.500 16.666 1.295 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.942 17.660 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.228 15.022 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.863 15.628 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.782 17.782 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.662 16.576 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.695 16.423 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.606 16.927 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.581 14.743 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.358 14.224 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.476 13.325 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.514 14.382 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.761 14.885 -3.455 1.00 0.00 H new ATOM 389 N GLY A 26 -6.847 15.023 3.827 1.00 0.00 N ATOM 390 CA GLY A 26 -7.076 14.212 5.008 1.00 0.00 C ATOM 391 C GLY A 26 -6.960 12.727 4.724 1.00 0.00 C ATOM 392 O GLY A 26 -6.774 11.925 5.640 1.00 0.00 O ATOM 0 H GLY A 26 -5.963 14.845 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.357 14.488 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.068 14.426 5.405 1.00 0.00 H new ATOM 396 N HIS A 27 -7.073 12.359 3.452 1.00 0.00 N ATOM 397 CA HIS A 27 -6.980 10.960 3.050 1.00 0.00 C ATOM 398 C HIS A 27 -5.592 10.401 3.346 1.00 0.00 C ATOM 399 O HIS A 27 -4.608 10.788 2.715 1.00 0.00 O ATOM 400 CB HIS A 27 -7.296 10.814 1.561 1.00 0.00 C ATOM 401 CG HIS A 27 -8.718 11.131 1.216 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.501 10.315 0.427 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.499 12.182 1.560 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.702 10.851 0.298 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.727 11.984 0.976 1.00 0.00 N ATOM 0 H HIS A 27 -7.229 13.010 2.682 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.711 10.392 3.626 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.638 11.471 0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.074 9.793 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.211 13.020 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.523 10.434 -0.266 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.528 12.611 1.054 1.00 0.00 H new ATOM 414 N VAL A 28 -5.520 9.488 4.309 1.00 0.00 N ATOM 415 CA VAL A 28 -4.253 8.875 4.688 1.00 0.00 C ATOM 416 C VAL A 28 -3.680 8.044 3.545 1.00 0.00 C ATOM 417 O VAL A 28 -4.387 7.245 2.929 1.00 0.00 O ATOM 418 CB VAL A 28 -4.412 7.978 5.930 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.141 7.180 6.180 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.775 8.814 7.148 1.00 0.00 C ATOM 0 H VAL A 28 -6.325 9.156 4.841 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.566 9.688 4.922 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.223 7.274 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.273 6.552 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.930 6.551 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.308 7.864 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.883 8.164 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.987 9.543 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.715 9.335 6.965 1.00 0.00 H new ATOM 430 N HIS A 29 -2.395 8.237 3.266 1.00 0.00 N ATOM 431 CA HIS A 29 -1.726 7.505 2.197 1.00 0.00 C ATOM 432 C HIS A 29 -0.661 6.570 2.762 1.00 0.00 C ATOM 433 O HIS A 29 0.015 6.900 3.736 1.00 0.00 O ATOM 434 CB HIS A 29 -1.091 8.478 1.203 1.00 0.00 C ATOM 435 CG HIS A 29 -2.090 9.303 0.451 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.449 9.227 0.673 1.00 0.00 N ATOM 437 CD2 HIS A 29 -1.921 10.227 -0.523 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.073 10.067 -0.133 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.168 10.687 -0.869 1.00 0.00 N ATOM 0 H HIS A 29 -1.796 8.894 3.766 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.474 6.905 1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.414 9.142 1.740 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.487 7.915 0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.981 10.544 -0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.141 10.221 -0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.364 11.393 -1.579 1.00 0.00 H new ATOM 448 N TYR A 30 -0.519 5.402 2.145 1.00 0.00 N ATOM 449 CA TYR A 30 0.461 4.418 2.589 1.00 0.00 C ATOM 450 C TYR A 30 1.450 4.093 1.474 1.00 0.00 C ATOM 451 O TYR A 30 1.071 3.577 0.422 1.00 0.00 O ATOM 452 CB TYR A 30 -0.242 3.140 3.051 1.00 0.00 C ATOM 453 CG TYR A 30 -1.162 3.348 4.233 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.658 3.413 5.527 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.533 3.479 4.056 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.495 3.602 6.610 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.377 3.670 5.133 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.853 3.731 6.408 1.00 0.00 C ATOM 459 OH TYR A 30 -3.691 3.919 7.483 1.00 0.00 O ATOM 0 H TYR A 30 -1.070 5.114 1.336 1.00 0.00 H new ATOM 0 HA TYR A 30 1.013 4.844 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.818 2.732 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.510 2.396 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.405 3.314 5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.947 3.431 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.088 3.648 7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.441 3.771 4.978 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.616 3.992 7.168 1.00 0.00 H new ATOM 469 N LEU A 31 2.721 4.398 1.712 1.00 0.00 N ATOM 470 CA LEU A 31 3.767 4.138 0.730 1.00 0.00 C ATOM 471 C LEU A 31 3.923 2.641 0.483 1.00 0.00 C ATOM 472 O LEU A 31 4.688 1.965 1.171 1.00 0.00 O ATOM 473 CB LEU A 31 5.096 4.730 1.202 1.00 0.00 C ATOM 474 CG LEU A 31 6.266 4.621 0.223 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.810 4.948 -1.191 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.402 5.541 0.645 1.00 0.00 C ATOM 0 H LEU A 31 3.052 4.826 2.577 1.00 0.00 H new ATOM 0 HA LEU A 31 3.477 4.613 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.939 5.784 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.380 4.238 2.132 1.00 0.00 H new ATOM 0 HG LEU A 31 6.633 3.595 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.655 4.865 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.030 4.249 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.417 5.964 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.226 5.450 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.049 6.572 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.747 5.261 1.640 1.00 0.00 H new ATOM 488 N ILE A 32 3.195 2.131 -0.505 1.00 0.00 N ATOM 489 CA ILE A 32 3.255 0.715 -0.845 1.00 0.00 C ATOM 490 C ILE A 32 4.447 0.416 -1.747 1.00 0.00 C ATOM 491 O ILE A 32 4.671 1.101 -2.746 1.00 0.00 O ATOM 492 CB ILE A 32 1.965 0.249 -1.546 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.750 0.512 -0.653 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.059 -1.228 -1.901 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.568 0.179 -1.315 1.00 0.00 C ATOM 0 H ILE A 32 2.557 2.677 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 32 3.366 0.170 0.092 1.00 0.00 H new ATOM 0 HB ILE A 32 1.844 0.817 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.847 -0.074 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.745 1.562 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.140 -1.543 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.904 -1.388 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.200 -1.812 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.385 0.390 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.687 0.784 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.583 -0.877 -1.584 1.00 0.00 H new ATOM 507 N LYS A 33 5.210 -0.611 -1.390 1.00 0.00 N ATOM 508 CA LYS A 33 6.379 -1.005 -2.169 1.00 0.00 C ATOM 509 C LYS A 33 6.104 -2.283 -2.955 1.00 0.00 C ATOM 510 O LYS A 33 6.299 -3.388 -2.448 1.00 0.00 O ATOM 511 CB LYS A 33 7.585 -1.208 -1.249 1.00 0.00 C ATOM 512 CG LYS A 33 8.770 -1.862 -1.936 1.00 0.00 C ATOM 513 CD LYS A 33 9.697 -2.531 -0.935 1.00 0.00 C ATOM 514 CE LYS A 33 11.087 -2.741 -1.515 1.00 0.00 C ATOM 515 NZ LYS A 33 11.174 -4.001 -2.303 1.00 0.00 N ATOM 0 H LYS A 33 5.040 -1.187 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 33 6.600 -0.206 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.894 -0.242 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.284 -1.821 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.413 -2.601 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.324 -1.112 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.766 -1.919 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.278 -3.492 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.346 -1.895 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.818 -2.767 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.171 -4.277 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.656 -4.756 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.756 -3.852 -3.243 1.00 0.00 H new ATOM 529 N TRP A 34 5.652 -2.124 -4.193 1.00 0.00 N ATOM 530 CA TRP A 34 5.353 -3.266 -5.050 1.00 0.00 C ATOM 531 C TRP A 34 6.512 -4.256 -5.062 1.00 0.00 C ATOM 532 O TRP A 34 7.546 -4.008 -5.681 1.00 0.00 O ATOM 533 CB TRP A 34 5.052 -2.797 -6.474 1.00 0.00 C ATOM 534 CG TRP A 34 3.988 -1.744 -6.540 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.141 -0.447 -6.941 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.607 -1.897 -6.192 1.00 0.00 C ATOM 537 NE1 TRP A 34 2.940 0.214 -6.864 1.00 0.00 N ATOM 538 CE2 TRP A 34 1.983 -0.653 -6.408 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.838 -2.965 -5.722 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.626 -0.450 -6.168 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.492 -2.761 -5.484 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.103 -1.513 -5.708 1.00 0.00 C ATOM 0 H TRP A 34 5.484 -1.216 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 34 4.474 -3.769 -4.648 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.966 -2.408 -6.922 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.743 -3.653 -7.073 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.070 -0.006 -7.270 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.786 1.192 -7.107 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.287 -3.932 -5.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.166 0.512 -6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.112 -3.579 -5.119 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.158 -1.387 -5.514 1.00 0.00 H new ATOM 553 N ARG A 35 6.333 -5.379 -4.374 1.00 0.00 N ATOM 554 CA ARG A 35 7.365 -6.407 -4.305 1.00 0.00 C ATOM 555 C ARG A 35 8.138 -6.489 -5.618 1.00 0.00 C ATOM 556 O ARG A 35 9.365 -6.385 -5.636 1.00 0.00 O ATOM 557 CB ARG A 35 6.741 -7.766 -3.982 1.00 0.00 C ATOM 558 CG ARG A 35 6.283 -7.898 -2.539 1.00 0.00 C ATOM 559 CD ARG A 35 6.015 -9.348 -2.170 1.00 0.00 C ATOM 560 NE ARG A 35 7.208 -10.010 -1.647 1.00 0.00 N ATOM 561 CZ ARG A 35 7.259 -11.303 -1.347 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.190 -12.069 -1.516 1.00 0.00 N ATOM 563 NH2 ARG A 35 8.381 -11.832 -0.876 1.00 0.00 N ATOM 0 H ARG A 35 5.483 -5.600 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 35 8.060 -6.136 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.889 -7.931 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.467 -8.550 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.044 -7.487 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.378 -7.310 -2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.220 -9.391 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.658 -9.885 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 35 8.048 -9.449 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.326 -11.666 -1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.232 -13.062 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.205 -11.246 -0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.419 -12.825 -0.646 1.00 0.00 H new ATOM 577 N ASP A 36 7.412 -6.677 -6.715 1.00 0.00 N ATOM 578 CA ASP A 36 8.029 -6.773 -8.033 1.00 0.00 C ATOM 579 C ASP A 36 8.985 -5.608 -8.272 1.00 0.00 C ATOM 580 O ASP A 36 10.134 -5.805 -8.667 1.00 0.00 O ATOM 581 CB ASP A 36 6.956 -6.800 -9.121 1.00 0.00 C ATOM 582 CG ASP A 36 7.547 -6.840 -10.517 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.702 -7.292 -10.660 1.00 0.00 O ATOM 584 OD2 ASP A 36 6.854 -6.420 -11.467 1.00 0.00 O ATOM 0 H ASP A 36 6.396 -6.766 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 36 8.599 -7.701 -8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.317 -7.671 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.322 -5.919 -9.023 1.00 0.00 H new ATOM 589 N LEU A 37 8.501 -4.395 -8.031 1.00 0.00 N ATOM 590 CA LEU A 37 9.312 -3.197 -8.220 1.00 0.00 C ATOM 591 C LEU A 37 10.222 -2.959 -7.020 1.00 0.00 C ATOM 592 O LEU A 37 9.921 -3.355 -5.893 1.00 0.00 O ATOM 593 CB LEU A 37 8.413 -1.979 -8.442 1.00 0.00 C ATOM 594 CG LEU A 37 7.527 -2.017 -9.688 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.592 -0.818 -9.715 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.380 -2.058 -10.948 1.00 0.00 C ATOM 0 H LEU A 37 7.552 -4.215 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 37 9.936 -3.347 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.772 -1.861 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.044 -1.092 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 37 6.922 -2.923 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.969 -0.862 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.957 -0.832 -8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.179 0.101 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.733 -2.085 -11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.011 -1.170 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.008 -2.949 -10.933 1.00 0.00 H new ATOM 608 N PRO A 38 11.362 -2.295 -7.263 1.00 0.00 N ATOM 609 CA PRO A 38 12.338 -1.987 -6.214 1.00 0.00 C ATOM 610 C PRO A 38 11.823 -0.940 -5.232 1.00 0.00 C ATOM 611 O PRO A 38 10.661 -0.537 -5.293 1.00 0.00 O ATOM 612 CB PRO A 38 13.538 -1.444 -6.994 1.00 0.00 C ATOM 613 CG PRO A 38 12.958 -0.910 -8.258 1.00 0.00 C ATOM 614 CD PRO A 38 11.785 -1.794 -8.582 1.00 0.00 C ATOM 0 HA PRO A 38 12.569 -2.860 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.054 -0.664 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.268 -2.228 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.643 0.126 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.693 -0.927 -9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.988 -1.239 -9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.067 -2.608 -9.250 1.00 0.00 H new ATOM 622 N TYR A 39 12.694 -0.503 -4.330 1.00 0.00 N ATOM 623 CA TYR A 39 12.326 0.496 -3.334 1.00 0.00 C ATOM 624 C TYR A 39 12.336 1.897 -3.938 1.00 0.00 C ATOM 625 O TYR A 39 11.576 2.771 -3.520 1.00 0.00 O ATOM 626 CB TYR A 39 13.284 0.436 -2.143 1.00 0.00 C ATOM 627 CG TYR A 39 12.877 1.329 -0.993 1.00 0.00 C ATOM 628 CD1 TYR A 39 11.889 0.936 -0.098 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.478 2.567 -0.802 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.514 1.749 0.954 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.110 3.386 0.248 1.00 0.00 C ATOM 632 CZ TYR A 39 12.127 2.973 1.123 1.00 0.00 C ATOM 633 OH TYR A 39 11.756 3.786 2.169 1.00 0.00 O ATOM 0 H TYR A 39 13.660 -0.825 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 39 11.315 0.275 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.346 -0.593 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.283 0.719 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.406 -0.021 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.246 2.895 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.745 1.428 1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.589 4.344 0.383 1.00 0.00 H new ATOM 0 HH TYR A 39 12.285 4.611 2.146 1.00 0.00 H new ATOM 643 N ASP A 40 13.201 2.102 -4.925 1.00 0.00 N ATOM 644 CA ASP A 40 13.310 3.396 -5.590 1.00 0.00 C ATOM 645 C ASP A 40 12.163 3.598 -6.575 1.00 0.00 C ATOM 646 O ASP A 40 11.941 4.706 -7.063 1.00 0.00 O ATOM 647 CB ASP A 40 14.650 3.508 -6.318 1.00 0.00 C ATOM 648 CG ASP A 40 15.137 2.172 -6.844 1.00 0.00 C ATOM 649 OD1 ASP A 40 14.446 1.585 -7.704 1.00 0.00 O ATOM 650 OD2 ASP A 40 16.208 1.713 -6.396 1.00 0.00 O ATOM 0 H ASP A 40 13.837 1.389 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 40 13.253 4.174 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.552 4.208 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.396 3.921 -5.639 1.00 0.00 H new ATOM 655 N GLN A 41 11.440 2.521 -6.863 1.00 0.00 N ATOM 656 CA GLN A 41 10.317 2.582 -7.792 1.00 0.00 C ATOM 657 C GLN A 41 8.992 2.648 -7.040 1.00 0.00 C ATOM 658 O GLN A 41 7.953 2.960 -7.621 1.00 0.00 O ATOM 659 CB GLN A 41 10.331 1.366 -8.720 1.00 0.00 C ATOM 660 CG GLN A 41 11.448 1.400 -9.751 1.00 0.00 C ATOM 661 CD GLN A 41 11.033 2.084 -11.039 1.00 0.00 C ATOM 662 OE1 GLN A 41 10.250 3.034 -11.026 1.00 0.00 O ATOM 663 NE2 GLN A 41 11.557 1.604 -12.160 1.00 0.00 N ATOM 0 H GLN A 41 11.611 1.597 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 41 10.420 3.488 -8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.430 0.462 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.373 1.302 -9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.310 1.918 -9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.765 0.381 -9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.202 0.815 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.315 2.024 -13.057 1.00 0.00 H new ATOM 672 N ALA A 42 9.036 2.351 -5.746 1.00 0.00 N ATOM 673 CA ALA A 42 7.839 2.379 -4.914 1.00 0.00 C ATOM 674 C ALA A 42 6.931 3.542 -5.298 1.00 0.00 C ATOM 675 O ALA A 42 7.392 4.555 -5.824 1.00 0.00 O ATOM 676 CB ALA A 42 8.219 2.466 -3.444 1.00 0.00 C ATOM 0 H ALA A 42 9.888 2.088 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 42 7.289 1.453 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.315 2.486 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.821 1.599 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.794 3.376 -3.270 1.00 0.00 H new ATOM 682 N SER A 43 5.638 3.390 -5.031 1.00 0.00 N ATOM 683 CA SER A 43 4.664 4.427 -5.353 1.00 0.00 C ATOM 684 C SER A 43 3.679 4.623 -4.204 1.00 0.00 C ATOM 685 O SER A 43 3.272 3.662 -3.551 1.00 0.00 O ATOM 686 CB SER A 43 3.907 4.067 -6.632 1.00 0.00 C ATOM 687 OG SER A 43 3.450 5.230 -7.300 1.00 0.00 O ATOM 0 H SER A 43 5.240 2.559 -4.593 1.00 0.00 H new ATOM 0 HA SER A 43 5.204 5.361 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.557 3.496 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.059 3.427 -6.388 1.00 0.00 H new ATOM 0 HG SER A 43 2.971 4.972 -8.115 1.00 0.00 H new ATOM 693 N TRP A 44 3.301 5.873 -3.964 1.00 0.00 N ATOM 694 CA TRP A 44 2.364 6.196 -2.894 1.00 0.00 C ATOM 695 C TRP A 44 0.940 5.816 -3.284 1.00 0.00 C ATOM 696 O TRP A 44 0.476 6.152 -4.373 1.00 0.00 O ATOM 697 CB TRP A 44 2.434 7.687 -2.560 1.00 0.00 C ATOM 698 CG TRP A 44 3.519 8.027 -1.584 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.744 8.559 -1.872 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.478 7.857 -0.163 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.466 8.729 -0.716 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.711 8.307 0.347 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.518 7.371 0.729 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.008 8.283 1.707 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.814 7.347 2.078 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.050 7.802 2.557 1.00 0.00 C ATOM 0 H TRP A 44 3.629 6.680 -4.496 1.00 0.00 H new ATOM 0 HA TRP A 44 2.645 5.620 -2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.592 8.251 -3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.475 8.006 -2.152 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.093 8.809 -2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.411 9.108 -0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.562 7.020 0.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.961 8.632 2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.080 6.971 2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.250 7.772 3.618 1.00 0.00 H new ATOM 717 N GLU A 45 0.253 5.114 -2.389 1.00 0.00 N ATOM 718 CA GLU A 45 -1.118 4.688 -2.642 1.00 0.00 C ATOM 719 C GLU A 45 -2.029 5.066 -1.477 1.00 0.00 C ATOM 720 O GLU A 45 -1.831 4.615 -0.349 1.00 0.00 O ATOM 721 CB GLU A 45 -1.172 3.177 -2.877 1.00 0.00 C ATOM 722 CG GLU A 45 -0.373 2.720 -4.085 1.00 0.00 C ATOM 723 CD GLU A 45 -0.731 3.485 -5.345 1.00 0.00 C ATOM 724 OE1 GLU A 45 -1.936 3.583 -5.657 1.00 0.00 O ATOM 725 OE2 GLU A 45 0.194 3.986 -6.018 1.00 0.00 O ATOM 0 H GLU A 45 0.623 4.828 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.471 5.200 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.797 2.666 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.211 2.875 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.691 2.842 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.546 1.656 -4.249 1.00 0.00 H new ATOM 732 N SER A 46 -3.028 5.896 -1.759 1.00 0.00 N ATOM 733 CA SER A 46 -3.967 6.338 -0.735 1.00 0.00 C ATOM 734 C SER A 46 -4.501 5.151 0.061 1.00 0.00 C ATOM 735 O SER A 46 -4.292 3.997 -0.311 1.00 0.00 O ATOM 736 CB SER A 46 -5.128 7.103 -1.374 1.00 0.00 C ATOM 737 OG SER A 46 -6.098 7.460 -0.404 1.00 0.00 O ATOM 0 H SER A 46 -3.208 6.276 -2.688 1.00 0.00 H new ATOM 0 HA SER A 46 -3.437 7.002 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.751 8.001 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.591 6.489 -2.147 1.00 0.00 H new ATOM 0 HG SER A 46 -6.829 7.949 -0.837 1.00 0.00 H new ATOM 743 N GLU A 47 -5.192 5.445 1.158 1.00 0.00 N ATOM 744 CA GLU A 47 -5.755 4.403 2.008 1.00 0.00 C ATOM 745 C GLU A 47 -7.100 3.927 1.466 1.00 0.00 C ATOM 746 O GLU A 47 -7.833 3.205 2.141 1.00 0.00 O ATOM 747 CB GLU A 47 -5.922 4.915 3.440 1.00 0.00 C ATOM 748 CG GLU A 47 -6.965 6.012 3.576 1.00 0.00 C ATOM 749 CD GLU A 47 -7.402 6.227 5.012 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.549 5.226 5.744 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.596 7.397 5.404 1.00 0.00 O ATOM 0 H GLU A 47 -5.375 6.396 1.479 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.064 3.560 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.198 4.081 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.963 5.291 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.561 6.944 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.835 5.759 2.970 1.00 0.00 H new ATOM 758 N ASP A 48 -7.417 4.339 0.243 1.00 0.00 N ATOM 759 CA ASP A 48 -8.674 3.956 -0.390 1.00 0.00 C ATOM 760 C ASP A 48 -8.452 2.837 -1.403 1.00 0.00 C ATOM 761 O ASP A 48 -9.375 2.093 -1.735 1.00 0.00 O ATOM 762 CB ASP A 48 -9.312 5.164 -1.078 1.00 0.00 C ATOM 763 CG ASP A 48 -10.259 4.762 -2.192 1.00 0.00 C ATOM 764 OD1 ASP A 48 -11.257 4.070 -1.902 1.00 0.00 O ATOM 765 OD2 ASP A 48 -10.002 5.141 -3.354 1.00 0.00 O ATOM 0 H ASP A 48 -6.821 4.938 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.348 3.592 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.854 5.755 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.528 5.803 -1.484 1.00 0.00 H new ATOM 770 N VAL A 49 -7.221 2.723 -1.892 1.00 0.00 N ATOM 771 CA VAL A 49 -6.877 1.695 -2.867 1.00 0.00 C ATOM 772 C VAL A 49 -7.223 0.305 -2.345 1.00 0.00 C ATOM 773 O VAL A 49 -7.114 0.036 -1.149 1.00 0.00 O ATOM 774 CB VAL A 49 -5.380 1.739 -3.226 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.073 2.954 -4.088 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.531 1.742 -1.964 1.00 0.00 C ATOM 0 H VAL A 49 -6.445 3.330 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.463 1.900 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.135 0.845 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.011 2.968 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.656 2.904 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.332 3.862 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.476 1.773 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.777 2.617 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.731 0.838 -1.389 1.00 0.00 H new ATOM 786 N GLU A 50 -7.640 -0.575 -3.251 1.00 0.00 N ATOM 787 CA GLU A 50 -8.002 -1.938 -2.880 1.00 0.00 C ATOM 788 C GLU A 50 -6.929 -2.926 -3.329 1.00 0.00 C ATOM 789 O GLU A 50 -6.817 -3.241 -4.514 1.00 0.00 O ATOM 790 CB GLU A 50 -9.350 -2.317 -3.497 1.00 0.00 C ATOM 791 CG GLU A 50 -9.326 -2.391 -5.014 1.00 0.00 C ATOM 792 CD GLU A 50 -10.711 -2.298 -5.625 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.538 -3.195 -5.360 1.00 0.00 O ATOM 794 OE2 GLU A 50 -10.967 -1.327 -6.368 1.00 0.00 O ATOM 0 H GLU A 50 -7.735 -0.368 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.082 -1.983 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.663 -3.282 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.099 -1.587 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.706 -1.583 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.860 -3.327 -5.321 1.00 0.00 H new ATOM 801 N ILE A 51 -6.144 -3.412 -2.373 1.00 0.00 N ATOM 802 CA ILE A 51 -5.081 -4.365 -2.669 1.00 0.00 C ATOM 803 C ILE A 51 -5.179 -5.594 -1.772 1.00 0.00 C ATOM 804 O ILE A 51 -5.749 -5.535 -0.683 1.00 0.00 O ATOM 805 CB ILE A 51 -3.690 -3.727 -2.498 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.622 -2.391 -3.239 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.609 -4.673 -2.999 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.585 -1.442 -2.681 1.00 0.00 C ATOM 0 H ILE A 51 -6.224 -3.162 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.208 -4.667 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.520 -3.541 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.403 -2.579 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.600 -1.912 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.631 -4.208 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.646 -5.602 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.774 -4.888 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.593 -0.516 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.815 -1.224 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.599 -1.901 -2.747 1.00 0.00 H new ATOM 820 N GLN A 52 -4.619 -6.706 -2.237 1.00 0.00 N ATOM 821 CA GLN A 52 -4.642 -7.949 -1.475 1.00 0.00 C ATOM 822 C GLN A 52 -4.087 -7.737 -0.071 1.00 0.00 C ATOM 823 O GLN A 52 -2.992 -7.200 0.100 1.00 0.00 O ATOM 824 CB GLN A 52 -3.836 -9.029 -2.198 1.00 0.00 C ATOM 825 CG GLN A 52 -4.316 -10.442 -1.909 1.00 0.00 C ATOM 826 CD GLN A 52 -3.808 -11.450 -2.920 1.00 0.00 C ATOM 827 OE1 GLN A 52 -2.951 -11.138 -3.748 1.00 0.00 O ATOM 828 NE2 GLN A 52 -4.334 -12.668 -2.859 1.00 0.00 N ATOM 0 H GLN A 52 -4.144 -6.772 -3.137 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.679 -8.275 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.886 -8.850 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.789 -8.944 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.988 -10.736 -0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.406 -10.457 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.042 -12.883 -2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.030 -13.388 -3.514 1.00 0.00 H new ATOM 837 N ASP A 53 -4.848 -8.162 0.931 1.00 0.00 N ATOM 838 CA ASP A 53 -4.432 -8.020 2.322 1.00 0.00 C ATOM 839 C ASP A 53 -3.935 -6.604 2.598 1.00 0.00 C ATOM 840 O ASP A 53 -2.999 -6.404 3.372 1.00 0.00 O ATOM 841 CB ASP A 53 -3.335 -9.033 2.654 1.00 0.00 C ATOM 842 CG ASP A 53 -3.756 -10.459 2.362 1.00 0.00 C ATOM 843 OD1 ASP A 53 -4.361 -11.094 3.251 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.482 -10.941 1.243 1.00 0.00 O ATOM 0 H ASP A 53 -5.757 -8.608 0.806 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.297 -8.212 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.440 -8.797 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.069 -8.944 3.707 1.00 0.00 H new ATOM 849 N TYR A 54 -4.567 -5.626 1.959 1.00 0.00 N ATOM 850 CA TYR A 54 -4.188 -4.229 2.134 1.00 0.00 C ATOM 851 C TYR A 54 -4.504 -3.751 3.547 1.00 0.00 C ATOM 852 O TYR A 54 -3.725 -3.017 4.156 1.00 0.00 O ATOM 853 CB TYR A 54 -4.912 -3.351 1.112 1.00 0.00 C ATOM 854 CG TYR A 54 -4.451 -1.910 1.118 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.111 -1.589 1.290 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.358 -0.870 0.950 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.686 -0.275 1.297 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.942 0.447 0.954 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.605 0.740 1.128 1.00 0.00 C ATOM 860 OH TYR A 54 -3.186 2.050 1.132 1.00 0.00 O ATOM 0 H TYR A 54 -5.344 -5.775 1.315 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.113 -4.148 1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.762 -3.768 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.983 -3.382 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.388 -2.381 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.405 -1.096 0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.640 -0.043 1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.659 1.243 0.822 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.767 2.581 0.548 1.00 0.00 H new ATOM 870 N ASP A 55 -5.653 -4.172 4.064 1.00 0.00 N ATOM 871 CA ASP A 55 -6.073 -3.790 5.407 1.00 0.00 C ATOM 872 C ASP A 55 -5.135 -4.374 6.458 1.00 0.00 C ATOM 873 O ASP A 55 -4.860 -3.744 7.480 1.00 0.00 O ATOM 874 CB ASP A 55 -7.506 -4.257 5.668 1.00 0.00 C ATOM 875 CG ASP A 55 -8.478 -3.762 4.615 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.472 -2.547 4.327 1.00 0.00 O ATOM 877 OD2 ASP A 55 -9.245 -4.590 4.080 1.00 0.00 O ATOM 0 H ASP A 55 -6.310 -4.778 3.573 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.034 -2.703 5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.530 -5.346 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.827 -3.905 6.648 1.00 0.00 H new ATOM 882 N LEU A 56 -4.647 -5.583 6.201 1.00 0.00 N ATOM 883 CA LEU A 56 -3.739 -6.254 7.125 1.00 0.00 C ATOM 884 C LEU A 56 -2.439 -5.471 7.275 1.00 0.00 C ATOM 885 O LEU A 56 -2.033 -5.128 8.386 1.00 0.00 O ATOM 886 CB LEU A 56 -3.441 -7.673 6.638 1.00 0.00 C ATOM 887 CG LEU A 56 -4.612 -8.655 6.675 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.117 -10.082 6.499 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.386 -8.513 7.977 1.00 0.00 C ATOM 0 H LEU A 56 -4.865 -6.118 5.361 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.224 -6.306 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.074 -7.614 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.632 -8.081 7.243 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.284 -8.421 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.964 -10.767 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.608 -10.175 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.424 -10.328 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.216 -9.220 7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.724 -8.720 8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.773 -7.498 8.061 1.00 0.00 H new ATOM 901 N PHE A 57 -1.790 -5.190 6.150 1.00 0.00 N ATOM 902 CA PHE A 57 -0.535 -4.447 6.156 1.00 0.00 C ATOM 903 C PHE A 57 -0.684 -3.135 6.921 1.00 0.00 C ATOM 904 O PHE A 57 0.079 -2.849 7.843 1.00 0.00 O ATOM 905 CB PHE A 57 -0.077 -4.167 4.724 1.00 0.00 C ATOM 906 CG PHE A 57 0.719 -5.287 4.119 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.123 -6.506 3.839 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.065 -5.122 3.831 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.853 -7.540 3.283 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.800 -6.151 3.274 1.00 0.00 C ATOM 911 CZ PHE A 57 2.194 -7.362 3.000 1.00 0.00 C ATOM 0 H PHE A 57 -2.112 -5.466 5.222 1.00 0.00 H new ATOM 0 HA PHE A 57 0.217 -5.056 6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.952 -3.977 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.525 -3.258 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.925 -6.650 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.545 -4.178 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.376 -8.485 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.848 -6.009 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.767 -8.168 2.566 1.00 0.00 H new ATOM 921 N LYS A 58 -1.674 -2.338 6.529 1.00 0.00 N ATOM 922 CA LYS A 58 -1.926 -1.056 7.176 1.00 0.00 C ATOM 923 C LYS A 58 -2.096 -1.230 8.682 1.00 0.00 C ATOM 924 O LYS A 58 -1.551 -0.458 9.470 1.00 0.00 O ATOM 925 CB LYS A 58 -3.175 -0.400 6.584 1.00 0.00 C ATOM 926 CG LYS A 58 -3.151 -0.305 5.068 1.00 0.00 C ATOM 927 CD LYS A 58 -4.552 -0.377 4.483 1.00 0.00 C ATOM 928 CE LYS A 58 -5.160 1.007 4.319 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.641 0.984 4.474 1.00 0.00 N ATOM 0 H LYS A 58 -2.314 -2.558 5.766 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.065 -0.412 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.053 -0.968 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.282 0.601 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.678 0.630 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.544 -1.114 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.518 -0.877 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.188 -0.980 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.728 1.683 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.904 1.402 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.017 1.946 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.056 0.359 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.885 0.631 5.421 1.00 0.00 H new ATOM 943 N GLN A 59 -2.853 -2.250 9.073 1.00 0.00 N ATOM 944 CA GLN A 59 -3.092 -2.525 10.485 1.00 0.00 C ATOM 945 C GLN A 59 -1.805 -2.950 11.184 1.00 0.00 C ATOM 946 O GLN A 59 -1.550 -2.564 12.325 1.00 0.00 O ATOM 947 CB GLN A 59 -4.154 -3.615 10.641 1.00 0.00 C ATOM 948 CG GLN A 59 -4.428 -3.995 12.087 1.00 0.00 C ATOM 949 CD GLN A 59 -5.346 -3.011 12.785 1.00 0.00 C ATOM 950 OE1 GLN A 59 -5.322 -1.813 12.502 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.164 -3.513 13.703 1.00 0.00 N ATOM 0 H GLN A 59 -3.311 -2.899 8.433 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.451 -1.607 10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.082 -3.275 10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.835 -4.503 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.875 -4.989 12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.484 -4.052 12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.151 -4.512 13.906 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.806 -2.899 14.205 1.00 0.00 H new ATOM 960 N SER A 60 -0.996 -3.746 10.491 1.00 0.00 N ATOM 961 CA SER A 60 0.263 -4.226 11.047 1.00 0.00 C ATOM 962 C SER A 60 1.237 -3.072 11.263 1.00 0.00 C ATOM 963 O SER A 60 1.597 -2.752 12.396 1.00 0.00 O ATOM 964 CB SER A 60 0.889 -5.269 10.119 1.00 0.00 C ATOM 965 OG SER A 60 2.218 -5.569 10.511 1.00 0.00 O ATOM 0 H SER A 60 -1.190 -4.072 9.544 1.00 0.00 H new ATOM 0 HA SER A 60 0.053 -4.687 12.012 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.289 -6.179 10.132 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.884 -4.898 9.094 1.00 0.00 H new ATOM 0 HG SER A 60 2.595 -6.239 9.903 1.00 0.00 H new ATOM 971 N TYR A 61 1.660 -2.450 10.168 1.00 0.00 N ATOM 972 CA TYR A 61 2.594 -1.333 10.235 1.00 0.00 C ATOM 973 C TYR A 61 2.261 -0.414 11.407 1.00 0.00 C ATOM 974 O TYR A 61 3.129 -0.077 12.212 1.00 0.00 O ATOM 975 CB TYR A 61 2.568 -0.539 8.928 1.00 0.00 C ATOM 976 CG TYR A 61 3.341 0.759 8.992 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.674 0.778 9.383 1.00 0.00 C ATOM 978 CD2 TYR A 61 2.739 1.966 8.660 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.384 1.961 9.444 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.441 3.154 8.716 1.00 0.00 C ATOM 981 CZ TYR A 61 4.764 3.147 9.109 1.00 0.00 C ATOM 982 OH TYR A 61 5.468 4.327 9.167 1.00 0.00 O ATOM 0 H TYR A 61 1.370 -2.701 9.223 1.00 0.00 H new ATOM 0 HA TYR A 61 3.594 -1.738 10.386 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.978 -1.157 8.129 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.533 -0.323 8.665 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.164 -0.149 9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.704 1.976 8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.419 1.958 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.957 4.083 8.454 1.00 0.00 H new ATOM 0 HH TYR A 61 4.886 5.069 8.899 1.00 0.00 H new ATOM 992 N TRP A 62 0.997 -0.014 11.496 1.00 0.00 N ATOM 993 CA TRP A 62 0.548 0.865 12.569 1.00 0.00 C ATOM 994 C TRP A 62 0.902 0.283 13.934 1.00 0.00 C ATOM 995 O TRP A 62 1.674 0.873 14.688 1.00 0.00 O ATOM 996 CB TRP A 62 -0.962 1.089 12.474 1.00 0.00 C ATOM 997 CG TRP A 62 -1.343 2.159 11.495 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.250 2.055 10.480 1.00 0.00 C ATOM 999 CD2 TRP A 62 -0.825 3.493 11.439 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.327 3.244 9.795 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.464 4.143 10.365 1.00 0.00 C ATOM 1002 CE3 TRP A 62 0.114 4.202 12.193 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.191 5.466 10.028 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 0.384 5.515 11.857 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.267 6.136 10.782 1.00 0.00 C ATOM 0 H TRP A 62 0.266 -0.284 10.838 1.00 0.00 H new ATOM 0 HA TRP A 62 1.059 1.822 12.459 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.443 0.155 12.186 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.346 1.354 13.459 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.823 1.169 10.249 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.929 3.428 8.992 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.620 3.732 13.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.691 5.946 9.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.109 6.072 12.432 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.034 7.164 10.544 1.00 0.00 H new ATOM 1016 N ASN A 63 0.333 -0.877 14.243 1.00 0.00 N ATOM 1017 CA ASN A 63 0.590 -1.538 15.518 1.00 0.00 C ATOM 1018 C ASN A 63 2.087 -1.602 15.806 1.00 0.00 C ATOM 1019 O ASN A 63 2.575 -0.983 16.752 1.00 0.00 O ATOM 1020 CB ASN A 63 -0.001 -2.950 15.512 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.454 -2.971 15.946 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.773 -2.683 17.099 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.342 -3.313 15.020 1.00 0.00 N ATOM 0 H ASN A 63 -0.309 -1.379 13.629 1.00 0.00 H new ATOM 0 HA ASN A 63 0.112 -0.954 16.305 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.082 -3.371 14.510 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.583 -3.588 16.176 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.335 -3.345 15.252 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.031 -3.544 14.076 1.00 0.00 H new ATOM 1030 N HIS A 64 2.810 -2.355 14.983 1.00 0.00 N ATOM 1031 CA HIS A 64 4.252 -2.499 15.148 1.00 0.00 C ATOM 1032 C HIS A 64 4.976 -2.277 13.824 1.00 0.00 C ATOM 1033 O HIS A 64 4.356 -2.274 12.760 1.00 0.00 O ATOM 1034 CB HIS A 64 4.588 -3.885 15.699 1.00 0.00 C ATOM 1035 CG HIS A 64 3.653 -4.958 15.232 1.00 0.00 C ATOM 1036 ND1 HIS A 64 2.946 -5.078 14.084 1.00 0.00 N flip ATOM 1037 CD2 HIS A 64 3.356 -6.077 15.981 1.00 0.00 C flip ATOM 1038 CE1 HIS A 64 2.243 -6.255 14.159 1.00 0.00 C flip ATOM 1039 NE2 HIS A 64 2.508 -6.839 15.314 1.00 0.00 N flip ATOM 0 H HIS A 64 2.421 -2.874 14.196 1.00 0.00 H new ATOM 0 HA HIS A 64 4.588 -1.742 15.857 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.604 -4.147 15.405 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.570 -3.848 16.788 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.755 -6.296 16.960 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.581 -6.641 13.398 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.123 -7.727 15.636 1.00 0.00 H new TER 1048 HIS A 64