USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 818 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 96 SER OG : rot 4:sc= 1.12 USER MOD Set 1.2: A 101 SER OG : rot -49:sc= 0.172 USER MOD Set 2.1: A 95 HIS : no HE2:sc= 0.359 K(o=-0.47,f=-2.1) USER MOD Set 2.2: A 102 SER OG : rot 120:sc= -0.83 USER MOD Set 3.1: A 55 SER OG : rot -18:sc= 1.24 USER MOD Set 3.2: A 56 HIS : no HD1:sc= -0.194 X(o=1,f=1.1) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0821 (180deg=-0.459) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -22:sc= 0.578 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.36 F(o=-1.7,f=-0.36) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.0357 (180deg=-0.296) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.000474 USER MOD Single : A 22 HIS : no HE2:sc= 0.999 K(o=1,f=-6.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0.621 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 148:sc= -0.0357 (180deg=-1.54) USER MOD Single : A 32 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.3!) USER MOD Single : A 33 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 146:sc= -0.957 (180deg=-2.2) USER MOD Single : A 41 HIS : +bothHN:sc= -0.896 K(o=-0.9,f=-7.6!) USER MOD Single : A 42 THR OG1 : rot 111:sc= -0.499 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0.344 (180deg=0.241) USER MOD Single : A 58 CYS SG : rot -77:sc= -0.911 USER MOD Single : A 64 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.6!) USER MOD Single : A 66 SER OG : rot -74:sc= 1.2 USER MOD Single : A 67 SER OG : rot 78:sc= 1.31 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.112 F(o=-0.75,f=-0.11) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 32:sc= 1.3 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 20:sc= -3.71 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -109:sc= 0.0384 USER MOD Single : A 80 SER OG : rot 90:sc= -3.75! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00262) USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 0.494 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.128 9.770 -9.655 1.00 7.43 N ATOM 2 CA MET A 1 17.809 9.733 -8.987 1.00 7.42 C ATOM 3 C MET A 1 16.939 10.902 -9.439 1.00 7.11 C ATOM 4 O MET A 1 17.099 12.029 -8.970 1.00 7.15 O ATOM 5 CB MET A 1 17.980 9.774 -7.467 1.00 7.88 C ATOM 6 CG MET A 1 16.665 9.724 -6.704 1.00 8.36 C ATOM 7 SD MET A 1 16.880 9.955 -4.927 1.00 9.39 S ATOM 8 CE MET A 1 17.935 8.565 -4.520 1.00 9.95 C ATOM 0 H1 MET A 1 19.703 8.966 -9.333 1.00 7.43 H new ATOM 0 H2 MET A 1 18.997 9.711 -10.685 1.00 7.43 H new ATOM 0 H3 MET A 1 19.612 10.659 -9.418 1.00 7.43 H new ATOM 0 HA MET A 1 17.316 8.802 -9.266 1.00 7.42 H new ATOM 0 HB2 MET A 1 18.602 8.934 -7.157 1.00 7.88 H new ATOM 0 HB3 MET A 1 18.514 10.684 -7.194 1.00 7.88 H new ATOM 0 HG2 MET A 1 15.997 10.495 -7.088 1.00 8.36 H new ATOM 0 HG3 MET A 1 16.181 8.764 -6.885 1.00 8.36 H new ATOM 0 HE1 MET A 1 17.939 8.415 -3.440 1.00 9.95 H new ATOM 0 HE2 MET A 1 17.559 7.667 -5.010 1.00 9.95 H new ATOM 0 HE3 MET A 1 18.950 8.766 -4.862 1.00 9.95 H new ATOM 20 N ALA A 2 16.027 10.631 -10.361 1.00 7.11 N ATOM 21 CA ALA A 2 15.092 11.646 -10.827 1.00 7.16 C ATOM 22 C ALA A 2 13.667 11.220 -10.505 1.00 6.34 C ATOM 23 O ALA A 2 12.938 11.910 -9.790 1.00 6.43 O ATOM 24 CB ALA A 2 15.258 11.889 -12.322 1.00 7.97 C ATOM 0 H ALA A 2 15.914 9.718 -10.801 1.00 7.11 H new ATOM 0 HA ALA A 2 15.305 12.583 -10.312 1.00 7.16 H new ATOM 0 HB1 ALA A 2 14.550 12.651 -12.648 1.00 7.97 H new ATOM 0 HB2 ALA A 2 16.274 12.228 -12.525 1.00 7.97 H new ATOM 0 HB3 ALA A 2 15.069 10.963 -12.864 1.00 7.97 H new ATOM 30 N THR A 3 13.291 10.064 -11.028 1.00 5.73 N ATOM 31 CA THR A 3 12.004 9.448 -10.750 1.00 5.02 C ATOM 32 C THR A 3 12.120 7.963 -11.040 1.00 3.93 C ATOM 33 O THR A 3 11.892 7.506 -12.164 1.00 3.57 O ATOM 34 CB THR A 3 10.862 10.059 -11.592 1.00 5.39 C ATOM 35 OG1 THR A 3 10.872 11.489 -11.476 1.00 6.16 O ATOM 36 CG2 THR A 3 9.513 9.528 -11.131 1.00 5.37 C ATOM 0 H THR A 3 13.876 9.522 -11.663 1.00 5.73 H new ATOM 0 HA THR A 3 11.753 9.628 -9.705 1.00 5.02 H new ATOM 0 HB THR A 3 11.019 9.776 -12.633 1.00 5.39 H new ATOM 0 HG1 THR A 3 11.340 11.747 -10.655 1.00 6.16 H new ATOM 0 HG21 THR A 3 8.722 9.970 -11.736 1.00 5.37 H new ATOM 0 HG22 THR A 3 9.492 8.444 -11.242 1.00 5.37 H new ATOM 0 HG23 THR A 3 9.358 9.789 -10.084 1.00 5.37 H new ATOM 44 N GLU A 4 12.524 7.220 -10.028 1.00 3.59 N ATOM 45 CA GLU A 4 12.870 5.826 -10.201 1.00 2.75 C ATOM 46 C GLU A 4 11.622 4.965 -10.129 1.00 1.95 C ATOM 47 O GLU A 4 10.685 5.290 -9.399 1.00 2.29 O ATOM 48 CB GLU A 4 13.867 5.400 -9.117 1.00 3.20 C ATOM 49 CG GLU A 4 14.965 6.425 -8.851 1.00 4.01 C ATOM 50 CD GLU A 4 15.768 6.774 -10.089 1.00 4.54 C ATOM 51 OE1 GLU A 4 16.577 5.930 -10.529 1.00 5.13 O ATOM 52 OE2 GLU A 4 15.618 7.901 -10.608 1.00 4.73 O ATOM 0 H GLU A 4 12.620 7.563 -9.072 1.00 3.59 H new ATOM 0 HA GLU A 4 13.330 5.693 -11.180 1.00 2.75 H new ATOM 0 HB2 GLU A 4 13.324 5.215 -8.190 1.00 3.20 H new ATOM 0 HB3 GLU A 4 14.327 4.457 -9.411 1.00 3.20 H new ATOM 0 HG2 GLU A 4 14.516 7.333 -8.449 1.00 4.01 H new ATOM 0 HG3 GLU A 4 15.638 6.037 -8.086 1.00 4.01 H new ATOM 59 N PRO A 5 11.563 3.901 -10.935 1.00 1.30 N ATOM 60 CA PRO A 5 10.558 2.861 -10.815 1.00 1.21 C ATOM 61 C PRO A 5 11.068 1.704 -9.952 1.00 0.86 C ATOM 62 O PRO A 5 11.694 0.768 -10.457 1.00 0.92 O ATOM 63 CB PRO A 5 10.347 2.411 -12.266 1.00 1.76 C ATOM 64 CG PRO A 5 11.503 2.968 -13.053 1.00 1.77 C ATOM 65 CD PRO A 5 12.437 3.633 -12.075 1.00 1.57 C ATOM 0 HA PRO A 5 9.641 3.204 -10.335 1.00 1.21 H new ATOM 0 HB2 PRO A 5 10.317 1.324 -12.335 1.00 1.76 H new ATOM 0 HB3 PRO A 5 9.398 2.781 -12.654 1.00 1.76 H new ATOM 0 HG2 PRO A 5 12.017 2.174 -13.594 1.00 1.77 H new ATOM 0 HG3 PRO A 5 11.152 3.684 -13.796 1.00 1.77 H new ATOM 0 HD2 PRO A 5 13.270 2.984 -11.804 1.00 1.57 H new ATOM 0 HD3 PRO A 5 12.866 4.549 -12.482 1.00 1.57 H new ATOM 73 N PRO A 6 10.848 1.777 -8.630 1.00 0.66 N ATOM 74 CA PRO A 6 11.350 0.776 -7.677 1.00 0.47 C ATOM 75 C PRO A 6 10.744 -0.610 -7.886 1.00 0.48 C ATOM 76 O PRO A 6 9.800 -0.784 -8.659 1.00 0.62 O ATOM 77 CB PRO A 6 10.944 1.343 -6.313 1.00 0.59 C ATOM 78 CG PRO A 6 10.698 2.792 -6.568 1.00 0.87 C ATOM 79 CD PRO A 6 10.114 2.848 -7.944 1.00 0.84 C ATOM 0 HA PRO A 6 12.423 0.623 -7.790 1.00 0.47 H new ATOM 0 HB2 PRO A 6 10.051 0.851 -5.929 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.731 1.198 -5.573 1.00 0.59 H new ATOM 0 HG2 PRO A 6 10.013 3.212 -5.831 1.00 0.87 H new ATOM 0 HG3 PRO A 6 11.623 3.366 -6.508 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.039 2.668 -7.939 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.272 3.818 -8.415 1.00 0.84 H new ATOM 87 N LYS A 7 11.265 -1.585 -7.155 1.00 0.45 N ATOM 88 CA LYS A 7 10.926 -2.973 -7.378 1.00 0.52 C ATOM 89 C LYS A 7 10.437 -3.575 -6.083 1.00 0.42 C ATOM 90 O LYS A 7 11.218 -4.111 -5.301 1.00 0.42 O ATOM 91 CB LYS A 7 12.151 -3.739 -7.879 1.00 0.65 C ATOM 92 CG LYS A 7 11.817 -4.992 -8.668 1.00 1.24 C ATOM 93 CD LYS A 7 12.389 -4.911 -10.074 1.00 1.37 C ATOM 94 CE LYS A 7 11.881 -3.677 -10.803 1.00 1.70 C ATOM 95 NZ LYS A 7 10.428 -3.766 -11.100 1.00 2.49 N ATOM 0 H LYS A 7 11.930 -1.432 -6.397 1.00 0.45 H new ATOM 0 HA LYS A 7 10.142 -3.039 -8.132 1.00 0.52 H new ATOM 0 HB2 LYS A 7 12.749 -3.077 -8.505 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.769 -4.014 -7.024 1.00 0.65 H new ATOM 0 HG2 LYS A 7 12.218 -5.867 -8.157 1.00 1.24 H new ATOM 0 HG3 LYS A 7 10.736 -5.119 -8.717 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.478 -4.886 -10.026 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.115 -5.806 -10.633 1.00 1.37 H new ATOM 0 HE2 LYS A 7 12.074 -2.792 -10.196 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.434 -3.552 -11.734 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.136 -2.937 -11.656 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 10.237 -4.632 -11.643 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 9.892 -3.791 -10.209 1.00 2.49 H new ATOM 109 N ILE A 8 9.154 -3.448 -5.829 1.00 0.41 N ATOM 110 CA ILE A 8 8.612 -3.930 -4.584 1.00 0.34 C ATOM 111 C ILE A 8 8.180 -5.385 -4.715 1.00 0.36 C ATOM 112 O ILE A 8 7.360 -5.740 -5.566 1.00 0.48 O ATOM 113 CB ILE A 8 7.449 -3.062 -4.051 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.948 -1.707 -3.536 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.758 -3.783 -2.922 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.425 -0.757 -4.601 1.00 0.39 C ATOM 0 H ILE A 8 8.476 -3.021 -6.460 1.00 0.41 H new ATOM 0 HA ILE A 8 9.413 -3.858 -3.849 1.00 0.34 H new ATOM 0 HB ILE A 8 6.758 -2.888 -4.876 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.143 -1.229 -2.978 1.00 0.72 H new ATOM 0 HG13 ILE A 8 8.763 -1.880 -2.834 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.938 -3.170 -2.547 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.365 -4.733 -3.284 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.470 -3.968 -2.118 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.757 0.172 -4.138 1.00 0.39 H new ATOM 0 HD12 ILE A 8 9.255 -1.208 -5.146 1.00 0.39 H new ATOM 0 HD13 ILE A 8 7.609 -0.546 -5.292 1.00 0.39 H new ATOM 128 N VAL A 9 8.748 -6.202 -3.849 1.00 0.31 N ATOM 129 CA VAL A 9 8.556 -7.638 -3.846 1.00 0.36 C ATOM 130 C VAL A 9 7.422 -7.998 -2.898 1.00 0.34 C ATOM 131 O VAL A 9 7.111 -7.239 -1.985 1.00 0.47 O ATOM 132 CB VAL A 9 9.857 -8.335 -3.382 1.00 0.41 C ATOM 133 CG1 VAL A 9 9.776 -9.846 -3.520 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.043 -7.785 -4.151 1.00 0.86 C ATOM 0 H VAL A 9 9.371 -5.877 -3.110 1.00 0.31 H new ATOM 0 HA VAL A 9 8.307 -7.971 -4.854 1.00 0.36 H new ATOM 0 HB VAL A 9 9.990 -8.121 -2.322 1.00 0.41 H new ATOM 0 HG11 VAL A 9 10.711 -10.293 -3.183 1.00 0.89 H new ATOM 0 HG12 VAL A 9 8.954 -10.223 -2.912 1.00 0.89 H new ATOM 0 HG13 VAL A 9 9.605 -10.107 -4.564 1.00 0.89 H new ATOM 0 HG21 VAL A 9 11.954 -8.281 -3.818 1.00 0.86 H new ATOM 0 HG22 VAL A 9 10.901 -7.965 -5.217 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.127 -6.713 -3.972 1.00 0.86 H new ATOM 144 N TRP A 10 6.796 -9.134 -3.116 1.00 0.33 N ATOM 145 CA TRP A 10 5.754 -9.592 -2.223 1.00 0.31 C ATOM 146 C TRP A 10 6.289 -10.691 -1.317 1.00 0.34 C ATOM 147 O TRP A 10 6.614 -11.788 -1.772 1.00 0.42 O ATOM 148 CB TRP A 10 4.548 -10.071 -3.029 1.00 0.38 C ATOM 149 CG TRP A 10 3.451 -10.656 -2.193 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.065 -10.262 -0.944 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.586 -11.734 -2.559 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.023 -11.037 -0.507 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.708 -11.945 -1.483 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.471 -12.543 -3.693 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.727 -12.931 -1.507 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.496 -13.519 -3.715 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.634 -13.706 -2.628 1.00 0.72 C ATOM 0 H TRP A 10 6.989 -9.756 -3.901 1.00 0.33 H new ATOM 0 HA TRP A 10 5.429 -8.765 -1.591 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.149 -9.232 -3.599 1.00 0.38 H new ATOM 0 HB3 TRP A 10 4.879 -10.818 -3.750 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.515 -9.457 -0.382 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.558 -10.952 0.397 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.133 -12.407 -4.536 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.062 -13.079 -0.669 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.396 -14.150 -4.586 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.119 -14.478 -2.677 1.00 0.72 H new ATOM 168 N ASN A 11 6.395 -10.386 -0.034 1.00 0.34 N ATOM 169 CA ASN A 11 6.916 -11.333 0.931 1.00 0.43 C ATOM 170 C ASN A 11 5.754 -12.072 1.577 1.00 0.45 C ATOM 171 O ASN A 11 5.281 -11.703 2.657 1.00 0.46 O ATOM 172 CB ASN A 11 7.759 -10.613 1.989 1.00 0.47 C ATOM 173 CG ASN A 11 8.797 -11.516 2.630 1.00 0.63 C ATOM 174 OD1 ASN A 11 8.426 -12.182 3.710 1.00 1.39 O flip ATOM 175 ND2 ASN A 11 9.929 -11.609 2.156 1.00 1.08 N flip ATOM 0 H ASN A 11 6.125 -9.486 0.362 1.00 0.34 H new ATOM 0 HA ASN A 11 7.562 -12.051 0.425 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.260 -9.761 1.529 1.00 0.47 H new ATOM 0 HB3 ASN A 11 7.101 -10.217 2.763 1.00 0.47 H new ATOM 0 HD21 ASN A 11 10.177 -11.079 1.321 1.00 1.08 H new ATOM 0 HD22 ASN A 11 10.619 -12.216 2.598 1.00 1.08 H new ATOM 182 N GLU A 12 5.282 -13.093 0.875 1.00 0.53 N ATOM 183 CA GLU A 12 4.096 -13.854 1.255 1.00 0.59 C ATOM 184 C GLU A 12 4.168 -14.409 2.677 1.00 0.62 C ATOM 185 O GLU A 12 3.143 -14.529 3.349 1.00 0.65 O ATOM 186 CB GLU A 12 3.860 -14.987 0.249 1.00 0.76 C ATOM 187 CG GLU A 12 5.107 -15.421 -0.518 1.00 1.09 C ATOM 188 CD GLU A 12 6.153 -16.094 0.350 1.00 1.43 C ATOM 189 OE1 GLU A 12 6.996 -15.383 0.944 1.00 1.92 O ATOM 190 OE2 GLU A 12 6.144 -17.339 0.431 1.00 1.71 O ATOM 0 H GLU A 12 5.717 -13.422 0.013 1.00 0.53 H new ATOM 0 HA GLU A 12 3.254 -13.162 1.238 1.00 0.59 H new ATOM 0 HB2 GLU A 12 3.457 -15.849 0.780 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.101 -14.669 -0.466 1.00 0.76 H new ATOM 0 HG2 GLU A 12 4.813 -16.105 -1.314 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.551 -14.548 -0.996 1.00 1.09 H new ATOM 197 N GLY A 13 5.372 -14.722 3.139 1.00 0.65 N ATOM 198 CA GLY A 13 5.542 -15.244 4.484 1.00 0.73 C ATOM 199 C GLY A 13 5.093 -14.261 5.547 1.00 0.70 C ATOM 200 O GLY A 13 4.701 -14.654 6.645 1.00 0.80 O ATOM 0 H GLY A 13 6.236 -14.624 2.606 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.975 -16.169 4.586 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.591 -15.494 4.644 1.00 0.73 H new ATOM 204 N LYS A 14 5.127 -12.978 5.211 1.00 0.59 N ATOM 205 CA LYS A 14 4.723 -11.928 6.139 1.00 0.59 C ATOM 206 C LYS A 14 3.396 -11.331 5.699 1.00 0.51 C ATOM 207 O LYS A 14 2.805 -10.521 6.412 1.00 0.55 O ATOM 208 CB LYS A 14 5.770 -10.811 6.185 1.00 0.61 C ATOM 209 CG LYS A 14 7.172 -11.275 6.537 1.00 0.86 C ATOM 210 CD LYS A 14 7.277 -11.740 7.978 1.00 1.21 C ATOM 211 CE LYS A 14 8.690 -12.189 8.310 1.00 1.26 C ATOM 212 NZ LYS A 14 9.683 -11.093 8.132 1.00 1.79 N ATOM 0 H LYS A 14 5.431 -12.638 4.299 1.00 0.59 H new ATOM 0 HA LYS A 14 4.626 -12.373 7.129 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.798 -10.316 5.214 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.454 -10.065 6.914 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.461 -12.089 5.872 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.876 -10.460 6.368 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.984 -10.930 8.646 1.00 1.21 H new ATOM 0 HD3 LYS A 14 6.582 -12.562 8.149 1.00 1.21 H new ATOM 0 HE2 LYS A 14 8.724 -12.545 9.340 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.962 -13.031 7.673 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 10.585 -11.367 8.572 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.831 -10.920 7.117 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 9.327 -10.226 8.582 1.00 1.79 H new ATOM 226 N ARG A 15 2.942 -11.754 4.519 1.00 0.45 N ATOM 227 CA ARG A 15 1.808 -11.127 3.850 1.00 0.44 C ATOM 228 C ARG A 15 2.046 -9.633 3.753 1.00 0.37 C ATOM 229 O ARG A 15 1.264 -8.828 4.257 1.00 0.52 O ATOM 230 CB ARG A 15 0.493 -11.416 4.576 1.00 0.56 C ATOM 231 CG ARG A 15 0.198 -12.894 4.686 1.00 0.66 C ATOM 232 CD ARG A 15 -1.178 -13.160 5.266 1.00 0.87 C ATOM 233 NE ARG A 15 -1.584 -14.551 5.071 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.220 -15.288 5.980 1.00 2.36 C ATOM 235 NH1 ARG A 15 -2.531 -14.777 7.167 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.554 -16.539 5.693 1.00 3.42 N ATOM 0 H ARG A 15 3.348 -12.536 4.005 1.00 0.45 H new ATOM 0 HA ARG A 15 1.722 -11.549 2.849 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.532 -10.982 5.575 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.324 -10.925 4.047 1.00 0.56 H new ATOM 0 HG2 ARG A 15 0.270 -13.352 3.699 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.953 -13.368 5.313 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.176 -12.927 6.331 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.906 -12.499 4.796 1.00 0.87 H new ATOM 0 HE ARG A 15 -1.365 -14.988 4.176 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -2.283 -13.813 7.388 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -3.018 -15.349 7.857 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -2.324 -16.932 4.780 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -3.041 -17.108 6.385 1.00 3.42 H new ATOM 250 N ARG A 16 3.151 -9.273 3.118 1.00 0.27 N ATOM 251 CA ARG A 16 3.543 -7.884 3.034 1.00 0.24 C ATOM 252 C ARG A 16 4.388 -7.634 1.794 1.00 0.23 C ATOM 253 O ARG A 16 4.971 -8.561 1.240 1.00 0.29 O ATOM 254 CB ARG A 16 4.313 -7.492 4.299 1.00 0.33 C ATOM 255 CG ARG A 16 5.814 -7.745 4.255 1.00 0.55 C ATOM 256 CD ARG A 16 6.475 -7.205 5.514 1.00 0.68 C ATOM 257 NE ARG A 16 7.934 -7.265 5.464 1.00 0.91 N ATOM 258 CZ ARG A 16 8.727 -6.775 6.417 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.204 -6.191 7.487 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.044 -6.861 6.286 1.00 1.86 N ATOM 0 H ARG A 16 3.786 -9.924 2.657 1.00 0.27 H new ATOM 0 HA ARG A 16 2.647 -7.268 2.956 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.146 -6.432 4.492 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.894 -8.040 5.143 1.00 0.33 H new ATOM 0 HG2 ARG A 16 6.007 -8.814 4.164 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.245 -7.267 3.375 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.164 -6.171 5.666 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.123 -7.773 6.375 1.00 0.68 H new ATOM 0 HE ARG A 16 8.370 -7.707 4.655 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.191 -6.115 7.583 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.814 -5.817 8.214 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.447 -7.301 5.458 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.654 -6.487 7.013 1.00 1.86 H new ATOM 274 N PHE A 17 4.446 -6.388 1.359 1.00 0.23 N ATOM 275 CA PHE A 17 5.266 -6.020 0.219 1.00 0.24 C ATOM 276 C PHE A 17 6.534 -5.337 0.704 1.00 0.30 C ATOM 277 O PHE A 17 6.501 -4.551 1.645 1.00 0.55 O ATOM 278 CB PHE A 17 4.511 -5.098 -0.738 1.00 0.28 C ATOM 279 CG PHE A 17 3.207 -5.660 -1.220 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.181 -6.714 -2.116 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.006 -5.139 -0.768 1.00 0.34 C ATOM 282 CE1 PHE A 17 1.983 -7.239 -2.557 1.00 0.39 C ATOM 283 CE2 PHE A 17 0.804 -5.661 -1.204 1.00 0.40 C ATOM 284 CZ PHE A 17 0.792 -6.712 -2.100 1.00 0.41 C ATOM 0 H PHE A 17 3.934 -5.612 1.779 1.00 0.23 H new ATOM 0 HA PHE A 17 5.521 -6.929 -0.325 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.324 -4.147 -0.239 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.145 -4.886 -1.599 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.110 -7.131 -2.475 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.009 -4.317 -0.068 1.00 0.34 H new ATOM 0 HE1 PHE A 17 1.978 -8.060 -3.258 1.00 0.39 H new ATOM 0 HE2 PHE A 17 -0.127 -5.247 -0.844 1.00 0.40 H new ATOM 0 HZ PHE A 17 -0.147 -7.121 -2.442 1.00 0.41 H new ATOM 294 N GLU A 18 7.637 -5.646 0.055 1.00 0.22 N ATOM 295 CA GLU A 18 8.944 -5.145 0.441 1.00 0.25 C ATOM 296 C GLU A 18 9.665 -4.588 -0.766 1.00 0.29 C ATOM 297 O GLU A 18 9.856 -5.294 -1.745 1.00 0.39 O ATOM 298 CB GLU A 18 9.758 -6.292 1.038 1.00 0.34 C ATOM 299 CG GLU A 18 9.946 -6.209 2.540 1.00 1.08 C ATOM 300 CD GLU A 18 10.538 -7.479 3.119 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.740 -7.742 2.890 1.00 0.85 O ATOM 302 OE2 GLU A 18 9.808 -8.227 3.797 1.00 1.16 O ATOM 0 H GLU A 18 7.654 -6.257 -0.762 1.00 0.22 H new ATOM 0 HA GLU A 18 8.824 -4.350 1.177 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.267 -7.235 0.797 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.738 -6.313 0.562 1.00 0.34 H new ATOM 0 HG2 GLU A 18 10.597 -5.367 2.776 1.00 1.08 H new ATOM 0 HG3 GLU A 18 8.984 -6.011 3.013 1.00 1.08 H new ATOM 309 N THR A 19 10.074 -3.331 -0.702 1.00 0.25 N ATOM 310 CA THR A 19 10.812 -2.735 -1.794 1.00 0.29 C ATOM 311 C THR A 19 12.126 -3.493 -1.998 1.00 0.35 C ATOM 312 O THR A 19 12.534 -4.280 -1.141 1.00 0.37 O ATOM 313 CB THR A 19 11.085 -1.229 -1.534 1.00 0.33 C ATOM 314 OG1 THR A 19 11.558 -0.593 -2.727 1.00 0.46 O ATOM 315 CG2 THR A 19 12.107 -1.036 -0.428 1.00 0.37 C ATOM 0 H THR A 19 9.907 -2.711 0.090 1.00 0.25 H new ATOM 0 HA THR A 19 10.210 -2.807 -2.700 1.00 0.29 H new ATOM 0 HB THR A 19 10.143 -0.775 -1.225 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.724 0.356 -2.548 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.276 0.029 -0.270 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.735 -1.485 0.493 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.045 -1.514 -0.712 1.00 0.37 H new ATOM 323 N GLU A 20 12.787 -3.243 -3.119 1.00 0.43 N ATOM 324 CA GLU A 20 14.044 -3.915 -3.461 1.00 0.53 C ATOM 325 C GLU A 20 15.125 -3.638 -2.421 1.00 0.56 C ATOM 326 O GLU A 20 16.206 -4.220 -2.448 1.00 0.68 O ATOM 327 CB GLU A 20 14.507 -3.442 -4.837 1.00 0.62 C ATOM 328 CG GLU A 20 14.607 -1.929 -4.935 1.00 0.77 C ATOM 329 CD GLU A 20 15.086 -1.453 -6.285 1.00 1.31 C ATOM 330 OE1 GLU A 20 16.311 -1.506 -6.534 1.00 1.83 O ATOM 331 OE2 GLU A 20 14.248 -0.997 -7.087 1.00 1.90 O ATOM 0 H GLU A 20 12.473 -2.571 -3.819 1.00 0.43 H new ATOM 0 HA GLU A 20 13.869 -4.991 -3.477 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.480 -3.881 -5.059 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.812 -3.806 -5.594 1.00 0.62 H new ATOM 0 HG2 GLU A 20 13.630 -1.492 -4.728 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.288 -1.565 -4.166 1.00 0.77 H new ATOM 338 N ASP A 21 14.800 -2.763 -1.497 1.00 0.52 N ATOM 339 CA ASP A 21 15.724 -2.342 -0.466 1.00 0.60 C ATOM 340 C ASP A 21 15.382 -3.018 0.858 1.00 0.54 C ATOM 341 O ASP A 21 16.208 -3.092 1.761 1.00 0.59 O ATOM 342 CB ASP A 21 15.670 -0.818 -0.366 1.00 0.67 C ATOM 343 CG ASP A 21 16.477 -0.240 0.770 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.683 -0.551 0.837 1.00 1.39 O ATOM 345 OD2 ASP A 21 15.909 0.479 1.612 1.00 1.31 O ATOM 0 H ASP A 21 13.883 -2.320 -1.438 1.00 0.52 H new ATOM 0 HA ASP A 21 16.742 -2.640 -0.716 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.027 -0.391 -1.303 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.631 -0.510 -0.251 1.00 0.67 H new ATOM 350 N HIS A 22 14.152 -3.532 0.939 1.00 0.45 N ATOM 351 CA HIS A 22 13.660 -4.295 2.096 1.00 0.45 C ATOM 352 C HIS A 22 13.482 -3.435 3.348 1.00 0.44 C ATOM 353 O HIS A 22 12.811 -3.844 4.291 1.00 0.51 O ATOM 354 CB HIS A 22 14.573 -5.488 2.402 1.00 0.57 C ATOM 355 CG HIS A 22 14.603 -6.513 1.310 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.697 -7.545 1.226 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.437 -6.664 0.254 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.973 -8.287 0.171 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.025 -7.775 -0.437 1.00 0.82 N ATOM 0 H HIS A 22 13.460 -3.431 0.197 1.00 0.45 H new ATOM 0 HA HIS A 22 12.673 -4.663 1.815 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.586 -5.125 2.577 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.241 -5.962 3.326 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.931 -7.711 1.878 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.272 -6.027 0.002 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.429 -9.166 -0.142 1.00 0.76 H new ATOM 368 N GLU A 23 14.076 -2.251 3.355 1.00 0.47 N ATOM 369 CA GLU A 23 13.950 -1.340 4.484 1.00 0.52 C ATOM 370 C GLU A 23 12.616 -0.607 4.411 1.00 0.40 C ATOM 371 O GLU A 23 12.113 -0.091 5.407 1.00 0.49 O ATOM 372 CB GLU A 23 15.109 -0.346 4.488 1.00 0.69 C ATOM 373 CG GLU A 23 16.477 -1.009 4.447 1.00 0.84 C ATOM 374 CD GLU A 23 16.702 -1.944 5.621 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.053 -1.455 6.714 1.00 1.72 O ATOM 376 OE2 GLU A 23 16.541 -3.169 5.453 1.00 2.28 O ATOM 0 H GLU A 23 14.651 -1.898 2.590 1.00 0.47 H new ATOM 0 HA GLU A 23 13.984 -1.912 5.411 1.00 0.52 H new ATOM 0 HB2 GLU A 23 15.010 0.319 3.630 1.00 0.69 H new ATOM 0 HB3 GLU A 23 15.042 0.275 5.381 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.579 -1.567 3.516 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.250 -0.241 4.444 1.00 0.84 H new ATOM 383 N ALA A 24 12.056 -0.564 3.210 1.00 0.29 N ATOM 384 CA ALA A 24 10.723 -0.028 3.009 1.00 0.22 C ATOM 385 C ALA A 24 9.765 -1.165 2.699 1.00 0.17 C ATOM 386 O ALA A 24 10.017 -1.969 1.796 1.00 0.19 O ATOM 387 CB ALA A 24 10.714 1.005 1.891 1.00 0.26 C ATOM 0 H ALA A 24 12.509 -0.896 2.359 1.00 0.29 H new ATOM 0 HA ALA A 24 10.401 0.473 3.922 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.703 1.391 1.761 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.385 1.825 2.147 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.047 0.540 0.963 1.00 0.26 H new ATOM 393 N PHE A 25 8.675 -1.231 3.441 1.00 0.14 N ATOM 394 CA PHE A 25 7.750 -2.344 3.333 1.00 0.15 C ATOM 395 C PHE A 25 6.355 -1.952 3.797 1.00 0.15 C ATOM 396 O PHE A 25 6.170 -0.952 4.495 1.00 0.17 O ATOM 397 CB PHE A 25 8.257 -3.538 4.149 1.00 0.23 C ATOM 398 CG PHE A 25 8.717 -3.186 5.536 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.818 -3.125 6.583 1.00 0.39 C ATOM 400 CD2 PHE A 25 10.054 -2.922 5.788 1.00 0.37 C ATOM 401 CE1 PHE A 25 8.241 -2.809 7.857 1.00 0.49 C ATOM 402 CE2 PHE A 25 10.484 -2.602 7.061 1.00 0.47 C ATOM 403 CZ PHE A 25 9.576 -2.546 8.096 1.00 0.52 C ATOM 0 H PHE A 25 8.408 -0.525 4.127 1.00 0.14 H new ATOM 0 HA PHE A 25 7.691 -2.627 2.282 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.461 -4.280 4.220 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.082 -4.006 3.613 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.773 -3.327 6.402 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.768 -2.967 4.979 1.00 0.37 H new ATOM 0 HE1 PHE A 25 7.529 -2.767 8.668 1.00 0.49 H new ATOM 0 HE2 PHE A 25 11.528 -2.396 7.245 1.00 0.47 H new ATOM 0 HZ PHE A 25 9.908 -2.297 9.093 1.00 0.52 H new ATOM 413 N ILE A 26 5.385 -2.750 3.390 1.00 0.20 N ATOM 414 CA ILE A 26 4.005 -2.566 3.783 1.00 0.23 C ATOM 415 C ILE A 26 3.403 -3.921 4.144 1.00 0.23 C ATOM 416 O ILE A 26 3.592 -4.890 3.416 1.00 0.26 O ATOM 417 CB ILE A 26 3.191 -1.882 2.645 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.560 -0.594 3.164 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.120 -2.803 2.054 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.593 0.048 2.196 1.00 0.73 C ATOM 0 H ILE A 26 5.536 -3.548 2.774 1.00 0.20 H new ATOM 0 HA ILE A 26 3.963 -1.911 4.654 1.00 0.23 H new ATOM 0 HB ILE A 26 3.886 -1.651 1.838 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.037 -0.807 4.097 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.351 0.118 3.398 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.582 -2.277 1.265 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.594 -3.693 1.639 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.420 -3.096 2.837 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.187 0.958 2.637 1.00 0.73 H new ATOM 0 HD12 ILE A 26 2.114 0.295 1.271 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.780 -0.645 1.981 1.00 0.73 H new ATOM 432 N GLU A 27 2.706 -3.995 5.269 1.00 0.22 N ATOM 433 CA GLU A 27 2.048 -5.233 5.685 1.00 0.23 C ATOM 434 C GLU A 27 0.594 -5.209 5.245 1.00 0.22 C ATOM 435 O GLU A 27 0.091 -4.164 4.840 1.00 0.27 O ATOM 436 CB GLU A 27 2.105 -5.412 7.209 1.00 0.26 C ATOM 437 CG GLU A 27 3.338 -6.145 7.716 1.00 0.65 C ATOM 438 CD GLU A 27 4.442 -5.221 8.200 1.00 1.14 C ATOM 439 OE1 GLU A 27 4.126 -4.177 8.808 1.00 1.65 O ATOM 440 OE2 GLU A 27 5.630 -5.504 7.924 1.00 1.23 O ATOM 0 H GLU A 27 2.579 -3.214 5.913 1.00 0.22 H new ATOM 0 HA GLU A 27 2.573 -6.066 5.218 1.00 0.23 H new ATOM 0 HB2 GLU A 27 2.064 -4.429 7.679 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.217 -5.956 7.531 1.00 0.26 H new ATOM 0 HG2 GLU A 27 3.047 -6.807 8.532 1.00 0.65 H new ATOM 0 HG3 GLU A 27 3.729 -6.776 6.918 1.00 0.65 H new ATOM 447 N TYR A 28 -0.086 -6.350 5.303 1.00 0.23 N ATOM 448 CA TYR A 28 -1.519 -6.361 5.037 1.00 0.22 C ATOM 449 C TYR A 28 -2.167 -7.645 5.527 1.00 0.28 C ATOM 450 O TYR A 28 -1.489 -8.605 5.897 1.00 0.45 O ATOM 451 CB TYR A 28 -1.812 -6.142 3.538 1.00 0.29 C ATOM 452 CG TYR A 28 -1.526 -7.340 2.652 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.472 -8.349 2.488 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.319 -7.461 1.977 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.221 -9.441 1.683 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.062 -8.553 1.168 1.00 0.50 C ATOM 457 CZ TYR A 28 -1.016 -9.538 1.027 1.00 0.60 C ATOM 458 OH TYR A 28 -0.762 -10.628 0.228 1.00 0.70 O ATOM 0 H TYR A 28 0.321 -7.258 5.526 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.956 -5.532 5.593 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.860 -5.865 3.424 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.219 -5.298 3.186 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.420 -8.275 3.001 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.431 -6.691 2.085 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.966 -10.215 1.569 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.882 -8.634 0.649 1.00 0.50 H new ATOM 0 HH TYR A 28 0.132 -10.545 -0.164 1.00 0.70 H new ATOM 468 N LYS A 29 -3.490 -7.636 5.523 1.00 0.24 N ATOM 469 CA LYS A 29 -4.291 -8.751 5.997 1.00 0.32 C ATOM 470 C LYS A 29 -5.592 -8.826 5.205 1.00 0.25 C ATOM 471 O LYS A 29 -6.252 -7.809 4.994 1.00 0.31 O ATOM 472 CB LYS A 29 -4.573 -8.563 7.482 1.00 0.49 C ATOM 473 CG LYS A 29 -4.832 -7.112 7.827 1.00 0.58 C ATOM 474 CD LYS A 29 -4.738 -6.836 9.310 1.00 0.74 C ATOM 475 CE LYS A 29 -3.535 -7.511 9.949 1.00 1.09 C ATOM 476 NZ LYS A 29 -3.424 -7.196 11.398 1.00 1.52 N ATOM 0 H LYS A 29 -4.042 -6.847 5.187 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.750 -9.686 5.853 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -5.437 -9.164 7.767 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.725 -8.929 8.062 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -4.114 -6.484 7.299 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.823 -6.830 7.472 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -4.677 -5.760 9.474 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -5.648 -7.182 9.800 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.613 -8.590 9.818 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.627 -7.192 9.438 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -2.591 -7.676 11.795 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -3.324 -6.168 11.523 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -4.279 -7.523 11.891 1.00 1.52 H new ATOM 490 N MET A 30 -5.952 -10.014 4.750 1.00 0.32 N ATOM 491 CA MET A 30 -7.142 -10.178 3.931 1.00 0.27 C ATOM 492 C MET A 30 -8.323 -10.639 4.788 1.00 0.30 C ATOM 493 O MET A 30 -8.395 -11.795 5.209 1.00 0.39 O ATOM 494 CB MET A 30 -6.864 -11.175 2.800 1.00 0.36 C ATOM 495 CG MET A 30 -5.708 -10.759 1.902 1.00 1.00 C ATOM 496 SD MET A 30 -5.248 -12.026 0.702 1.00 1.12 S ATOM 497 CE MET A 30 -6.756 -12.169 -0.254 1.00 1.85 C ATOM 0 H MET A 30 -5.440 -10.877 4.933 1.00 0.32 H new ATOM 0 HA MET A 30 -7.403 -9.217 3.489 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.646 -12.152 3.232 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.763 -11.287 2.194 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.979 -9.846 1.371 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.842 -10.523 2.521 1.00 1.00 H new ATOM 0 HE1 MET A 30 -6.510 -12.422 -1.285 1.00 1.85 H new ATOM 0 HE2 MET A 30 -7.384 -12.952 0.172 1.00 1.85 H new ATOM 0 HE3 MET A 30 -7.293 -11.221 -0.231 1.00 1.85 H new ATOM 507 N ARG A 31 -9.236 -9.716 5.041 1.00 0.29 N ATOM 508 CA ARG A 31 -10.411 -9.966 5.862 1.00 0.39 C ATOM 509 C ARG A 31 -11.539 -10.543 5.022 1.00 0.42 C ATOM 510 O ARG A 31 -11.458 -10.564 3.792 1.00 0.38 O ATOM 511 CB ARG A 31 -10.903 -8.661 6.494 1.00 0.46 C ATOM 512 CG ARG A 31 -9.965 -8.062 7.527 1.00 0.67 C ATOM 513 CD ARG A 31 -10.404 -6.656 7.904 1.00 0.66 C ATOM 514 NE ARG A 31 -9.640 -6.118 9.024 1.00 0.98 N ATOM 515 CZ ARG A 31 -9.171 -4.877 9.060 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.441 -4.045 8.062 1.00 1.41 N ATOM 517 NH2 ARG A 31 -8.452 -4.461 10.096 1.00 2.03 N ATOM 0 H ARG A 31 -9.183 -8.764 4.680 1.00 0.29 H new ATOM 0 HA ARG A 31 -10.129 -10.677 6.639 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -11.065 -7.929 5.703 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.870 -8.843 6.963 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.946 -8.692 8.416 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.950 -8.037 7.132 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -10.291 -5.999 7.041 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -11.463 -6.665 8.161 1.00 0.66 H new ATOM 0 HE ARG A 31 -9.457 -6.727 9.821 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -10.006 -4.361 7.274 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.084 -3.090 8.083 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -8.257 -5.096 10.870 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -8.094 -3.506 10.118 1.00 2.03 H new ATOM 531 N ASN A 32 -12.586 -11.001 5.701 1.00 0.55 N ATOM 532 CA ASN A 32 -13.819 -11.444 5.053 1.00 0.64 C ATOM 533 C ASN A 32 -13.546 -12.540 4.023 1.00 0.65 C ATOM 534 O ASN A 32 -13.931 -12.421 2.860 1.00 0.66 O ATOM 535 CB ASN A 32 -14.517 -10.248 4.391 1.00 0.64 C ATOM 536 CG ASN A 32 -15.976 -10.514 4.085 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.633 -11.299 4.769 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.498 -9.859 3.063 1.00 0.99 N ATOM 0 H ASN A 32 -12.605 -11.076 6.718 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.473 -11.865 5.816 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.441 -9.380 5.046 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.997 -9.996 3.467 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.478 -9.996 2.817 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -15.921 -9.217 2.520 1.00 0.99 H new ATOM 545 N ASN A 33 -12.868 -13.602 4.465 1.00 0.73 N ATOM 546 CA ASN A 33 -12.520 -14.745 3.604 1.00 0.83 C ATOM 547 C ASN A 33 -11.488 -14.338 2.547 1.00 0.78 C ATOM 548 O ASN A 33 -11.240 -15.064 1.581 1.00 1.04 O ATOM 549 CB ASN A 33 -13.778 -15.324 2.932 1.00 0.95 C ATOM 550 CG ASN A 33 -13.545 -16.688 2.302 1.00 1.62 C ATOM 551 OD1 ASN A 33 -12.726 -17.475 2.779 1.00 1.82 O ATOM 552 ND2 ASN A 33 -14.265 -16.981 1.231 1.00 2.33 N ATOM 0 H ASN A 33 -12.543 -13.698 5.427 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.079 -15.518 4.233 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.574 -15.404 3.673 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.124 -14.631 2.165 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -14.151 -17.885 0.772 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -14.934 -16.303 0.865 1.00 2.33 H new ATOM 559 N GLY A 34 -10.874 -13.180 2.744 1.00 0.55 N ATOM 560 CA GLY A 34 -9.882 -12.696 1.809 1.00 0.52 C ATOM 561 C GLY A 34 -10.488 -11.816 0.733 1.00 0.48 C ATOM 562 O GLY A 34 -10.012 -11.787 -0.402 1.00 0.62 O ATOM 0 H GLY A 34 -11.047 -12.565 3.539 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.120 -12.134 2.349 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.381 -13.544 1.342 1.00 0.52 H new ATOM 566 N LYS A 35 -11.548 -11.104 1.089 1.00 0.40 N ATOM 567 CA LYS A 35 -12.212 -10.201 0.157 1.00 0.40 C ATOM 568 C LYS A 35 -11.876 -8.750 0.468 1.00 0.28 C ATOM 569 O LYS A 35 -12.204 -7.852 -0.301 1.00 0.28 O ATOM 570 CB LYS A 35 -13.727 -10.412 0.193 1.00 0.52 C ATOM 571 CG LYS A 35 -14.133 -11.823 -0.187 1.00 0.67 C ATOM 572 CD LYS A 35 -13.582 -12.186 -1.555 1.00 0.85 C ATOM 573 CE LYS A 35 -13.780 -13.654 -1.884 1.00 1.14 C ATOM 574 NZ LYS A 35 -13.198 -13.990 -3.209 1.00 1.60 N ATOM 0 H LYS A 35 -11.968 -11.134 2.018 1.00 0.40 H new ATOM 0 HA LYS A 35 -11.849 -10.428 -0.846 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.097 -10.190 1.194 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.204 -9.706 -0.487 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -13.764 -12.527 0.559 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.220 -11.906 -0.193 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.071 -11.576 -2.315 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -12.519 -11.948 -1.591 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -13.315 -14.268 -1.113 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.844 -13.890 -1.881 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -13.348 -15.000 -3.408 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -13.660 -13.420 -3.946 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -12.178 -13.786 -3.202 1.00 1.60 H new ATOM 588 N VAL A 36 -11.217 -8.530 1.595 1.00 0.25 N ATOM 589 CA VAL A 36 -10.796 -7.190 1.985 1.00 0.19 C ATOM 590 C VAL A 36 -9.327 -7.192 2.383 1.00 0.16 C ATOM 591 O VAL A 36 -8.921 -7.927 3.264 1.00 0.22 O ATOM 592 CB VAL A 36 -11.651 -6.658 3.158 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.040 -5.403 3.769 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.070 -6.376 2.691 1.00 0.30 C ATOM 0 H VAL A 36 -10.961 -9.262 2.258 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.937 -6.533 1.127 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.675 -7.429 3.929 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.667 -5.056 4.591 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.042 -5.630 4.144 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.973 -4.624 3.010 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.661 -6.002 3.527 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.050 -5.629 1.898 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.518 -7.295 2.313 1.00 0.30 H new ATOM 604 N MET A 37 -8.536 -6.362 1.737 1.00 0.15 N ATOM 605 CA MET A 37 -7.125 -6.258 2.055 1.00 0.18 C ATOM 606 C MET A 37 -6.856 -5.029 2.887 1.00 0.16 C ATOM 607 O MET A 37 -6.958 -3.906 2.407 1.00 0.17 O ATOM 608 CB MET A 37 -6.274 -6.226 0.779 1.00 0.24 C ATOM 609 CG MET A 37 -6.070 -7.589 0.138 1.00 0.51 C ATOM 610 SD MET A 37 -4.998 -7.529 -1.317 1.00 1.03 S ATOM 611 CE MET A 37 -3.551 -6.719 -0.640 1.00 1.66 C ATOM 0 H MET A 37 -8.846 -5.746 0.985 1.00 0.15 H new ATOM 0 HA MET A 37 -6.848 -7.140 2.632 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.748 -5.563 0.055 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.300 -5.797 1.015 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.639 -8.270 0.873 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.039 -7.999 -0.147 1.00 0.51 H new ATOM 0 HE1 MET A 37 -2.655 -7.112 -1.122 1.00 1.66 H new ATOM 0 HE2 MET A 37 -3.618 -5.646 -0.818 1.00 1.66 H new ATOM 0 HE3 MET A 37 -3.498 -6.906 0.433 1.00 1.66 H new ATOM 621 N ASP A 38 -6.528 -5.251 4.138 1.00 0.17 N ATOM 622 CA ASP A 38 -6.183 -4.170 5.029 1.00 0.18 C ATOM 623 C ASP A 38 -4.702 -3.885 4.929 1.00 0.18 C ATOM 624 O ASP A 38 -3.878 -4.687 5.355 1.00 0.20 O ATOM 625 CB ASP A 38 -6.562 -4.530 6.458 1.00 0.24 C ATOM 626 CG ASP A 38 -6.400 -3.367 7.425 1.00 0.32 C ATOM 627 OD1 ASP A 38 -7.315 -2.523 7.516 1.00 0.81 O ATOM 628 OD2 ASP A 38 -5.376 -3.306 8.123 1.00 0.97 O ATOM 0 H ASP A 38 -6.493 -6.177 4.563 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.735 -3.275 4.742 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.597 -4.872 6.479 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.944 -5.363 6.793 1.00 0.24 H new ATOM 633 N LEU A 39 -4.381 -2.761 4.324 1.00 0.18 N ATOM 634 CA LEU A 39 -3.001 -2.354 4.131 1.00 0.19 C ATOM 635 C LEU A 39 -2.486 -1.765 5.426 1.00 0.20 C ATOM 636 O LEU A 39 -2.896 -0.678 5.824 1.00 0.28 O ATOM 637 CB LEU A 39 -2.897 -1.321 2.997 1.00 0.20 C ATOM 638 CG LEU A 39 -2.995 -1.862 1.565 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.103 -2.889 1.412 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.216 -0.711 0.598 1.00 0.22 C ATOM 0 H LEU A 39 -5.066 -2.103 3.952 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.400 -3.219 3.852 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.685 -0.581 3.137 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -1.947 -0.797 3.099 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.055 -2.365 1.337 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.132 -3.242 0.381 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.914 -3.731 2.078 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.060 -2.433 1.667 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.285 -1.098 -0.419 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.141 -0.194 0.853 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.380 -0.014 0.665 1.00 0.22 H new ATOM 652 N VAL A 40 -1.602 -2.482 6.085 1.00 0.17 N ATOM 653 CA VAL A 40 -1.138 -2.085 7.396 1.00 0.20 C ATOM 654 C VAL A 40 0.311 -1.628 7.332 1.00 0.18 C ATOM 655 O VAL A 40 1.172 -2.379 6.887 1.00 0.23 O ATOM 656 CB VAL A 40 -1.210 -3.254 8.403 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.032 -2.749 9.827 1.00 0.84 C ATOM 658 CG2 VAL A 40 -2.506 -4.027 8.263 1.00 0.88 C ATOM 0 H VAL A 40 -1.189 -3.346 5.733 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.788 -1.274 7.725 1.00 0.20 H new ATOM 0 HB VAL A 40 -0.392 -3.938 8.176 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.086 -3.588 10.520 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -0.061 -2.262 9.922 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.821 -2.034 10.061 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -2.523 -4.842 8.986 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.349 -3.361 8.447 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -2.579 -4.435 7.255 1.00 0.88 H new ATOM 668 N HIS A 41 0.571 -0.400 7.755 1.00 0.16 N ATOM 669 CA HIS A 41 1.940 0.049 8.013 1.00 0.17 C ATOM 670 C HIS A 41 2.735 0.297 6.741 1.00 0.14 C ATOM 671 O HIS A 41 3.241 -0.626 6.113 1.00 0.17 O ATOM 672 CB HIS A 41 2.652 -0.980 8.904 1.00 0.22 C ATOM 673 CG HIS A 41 4.106 -0.729 9.177 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.981 -1.754 9.450 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.827 0.416 9.295 1.00 0.56 C ATOM 676 CE1 HIS A 41 6.165 -1.259 9.735 1.00 1.03 C ATOM 677 NE2 HIS A 41 6.105 0.057 9.650 1.00 0.67 N ATOM 0 H HIS A 41 -0.144 0.306 7.928 1.00 0.16 H new ATOM 0 HA HIS A 41 1.880 1.010 8.524 1.00 0.17 H new ATOM 0 HB2 HIS A 41 2.128 -1.027 9.858 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.555 -1.961 8.438 1.00 0.22 H new ATOM 0 HD1 HIS A 41 4.747 -2.747 9.434 1.00 0.98 H new ATOM 0 HD2 HIS A 41 4.464 1.421 9.139 1.00 0.56 H new ATOM 0 HE1 HIS A 41 7.042 -1.834 9.995 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.878 0.700 9.820 1.00 0.67 H new ATOM 686 N THR A 42 2.851 1.563 6.388 1.00 0.16 N ATOM 687 CA THR A 42 3.733 1.983 5.317 1.00 0.16 C ATOM 688 C THR A 42 5.057 2.436 5.918 1.00 0.20 C ATOM 689 O THR A 42 5.106 3.402 6.685 1.00 0.31 O ATOM 690 CB THR A 42 3.117 3.138 4.489 1.00 0.20 C ATOM 691 OG1 THR A 42 4.117 3.747 3.668 1.00 0.22 O ATOM 692 CG2 THR A 42 2.489 4.188 5.397 1.00 0.31 C ATOM 0 H THR A 42 2.339 2.325 6.833 1.00 0.16 H new ATOM 0 HA THR A 42 3.886 1.138 4.645 1.00 0.16 H new ATOM 0 HB THR A 42 2.337 2.717 3.855 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.935 3.544 2.727 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.064 4.987 4.790 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.701 3.728 5.994 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.251 4.601 6.058 1.00 0.31 H new ATOM 700 N TYR A 43 6.123 1.724 5.621 1.00 0.22 N ATOM 701 CA TYR A 43 7.422 2.118 6.118 1.00 0.29 C ATOM 702 C TYR A 43 8.381 2.352 4.971 1.00 0.27 C ATOM 703 O TYR A 43 8.445 1.563 4.036 1.00 0.37 O ATOM 704 CB TYR A 43 7.982 1.076 7.079 1.00 0.45 C ATOM 705 CG TYR A 43 8.711 1.701 8.242 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.154 2.739 8.977 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.967 1.237 8.606 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.834 3.296 10.042 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.652 1.785 9.665 1.00 1.34 C ATOM 710 CZ TYR A 43 10.022 2.888 10.381 1.00 1.58 C ATOM 711 OH TYR A 43 10.763 3.373 11.444 1.00 2.02 O ATOM 0 H TYR A 43 6.117 0.881 5.046 1.00 0.22 H new ATOM 0 HA TYR A 43 7.303 3.052 6.667 1.00 0.29 H new ATOM 0 HB2 TYR A 43 7.167 0.457 7.455 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.662 0.416 6.540 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.177 3.115 8.712 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.416 0.429 8.046 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.368 4.090 10.607 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.623 1.412 9.956 1.00 1.34 H new ATOM 0 HH TYR A 43 11.621 2.901 11.487 1.00 2.02 H new ATOM 721 N VAL A 44 9.109 3.450 5.054 1.00 0.25 N ATOM 722 CA VAL A 44 10.049 3.834 4.009 1.00 0.28 C ATOM 723 C VAL A 44 11.158 4.723 4.583 1.00 0.34 C ATOM 724 O VAL A 44 10.880 5.688 5.297 1.00 0.36 O ATOM 725 CB VAL A 44 9.324 4.573 2.854 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.581 5.798 3.368 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.301 4.967 1.759 1.00 0.60 C ATOM 0 H VAL A 44 9.069 4.099 5.840 1.00 0.25 H new ATOM 0 HA VAL A 44 10.496 2.923 3.610 1.00 0.28 H new ATOM 0 HB VAL A 44 8.594 3.884 2.430 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.082 6.296 2.537 1.00 0.71 H new ATOM 0 HG12 VAL A 44 7.839 5.491 4.105 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.289 6.485 3.831 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.766 5.483 0.962 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.063 5.628 2.172 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.776 4.073 1.356 1.00 0.60 H new ATOM 737 N PRO A 45 12.430 4.390 4.313 1.00 0.41 N ATOM 738 CA PRO A 45 13.572 5.201 4.750 1.00 0.48 C ATOM 739 C PRO A 45 13.564 6.598 4.128 1.00 0.51 C ATOM 740 O PRO A 45 12.888 6.839 3.123 1.00 0.50 O ATOM 741 CB PRO A 45 14.791 4.414 4.261 1.00 0.61 C ATOM 742 CG PRO A 45 14.290 3.032 4.020 1.00 0.79 C ATOM 743 CD PRO A 45 12.860 3.183 3.596 1.00 0.48 C ATOM 0 HA PRO A 45 13.559 5.362 5.828 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.201 4.849 3.350 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.588 4.420 5.004 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.876 2.533 3.248 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.368 2.425 4.922 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.769 3.301 2.516 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.263 2.314 3.873 1.00 0.48 H new ATOM 751 N SER A 46 14.345 7.503 4.719 1.00 0.63 N ATOM 752 CA SER A 46 14.390 8.908 4.314 1.00 0.77 C ATOM 753 C SER A 46 14.581 9.071 2.807 1.00 0.80 C ATOM 754 O SER A 46 13.956 9.934 2.186 1.00 0.94 O ATOM 755 CB SER A 46 15.536 9.602 5.043 1.00 0.91 C ATOM 756 OG SER A 46 15.604 9.180 6.395 1.00 1.39 O ATOM 0 H SER A 46 14.967 7.281 5.496 1.00 0.63 H new ATOM 0 HA SER A 46 13.433 9.359 4.576 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.478 9.382 4.541 1.00 0.91 H new ATOM 0 HB3 SER A 46 15.398 10.682 5.001 1.00 0.91 H new ATOM 0 HG SER A 46 16.347 9.636 6.843 1.00 1.39 H new ATOM 762 N PHE A 47 15.428 8.219 2.234 1.00 0.75 N ATOM 763 CA PHE A 47 15.785 8.291 0.817 1.00 0.80 C ATOM 764 C PHE A 47 14.561 8.293 -0.090 1.00 0.73 C ATOM 765 O PHE A 47 14.546 8.959 -1.118 1.00 0.82 O ATOM 766 CB PHE A 47 16.667 7.102 0.439 1.00 0.83 C ATOM 767 CG PHE A 47 17.984 7.061 1.153 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.044 7.840 0.718 1.00 1.61 C ATOM 769 CD2 PHE A 47 18.160 6.255 2.264 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.255 7.813 1.379 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.370 6.225 2.931 1.00 3.04 C ATOM 772 CZ PHE A 47 20.430 6.965 2.462 1.00 3.12 C ATOM 0 H PHE A 47 15.886 7.459 2.737 1.00 0.75 H new ATOM 0 HA PHE A 47 16.320 9.230 0.674 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.124 6.180 0.649 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.850 7.127 -0.635 1.00 0.83 H new ATOM 0 HD1 PHE A 47 18.921 8.475 -0.147 1.00 1.61 H new ATOM 0 HD2 PHE A 47 17.342 5.642 2.614 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.064 8.450 1.054 1.00 2.39 H new ATOM 0 HE2 PHE A 47 19.483 5.621 3.819 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.397 6.886 2.936 1.00 3.12 H new ATOM 782 N LYS A 48 13.531 7.560 0.299 1.00 0.61 N ATOM 783 CA LYS A 48 12.400 7.338 -0.585 1.00 0.60 C ATOM 784 C LYS A 48 11.099 7.853 0.016 1.00 0.64 C ATOM 785 O LYS A 48 10.017 7.604 -0.523 1.00 0.78 O ATOM 786 CB LYS A 48 12.304 5.850 -0.920 1.00 0.55 C ATOM 787 CG LYS A 48 13.431 5.375 -1.825 1.00 0.76 C ATOM 788 CD LYS A 48 13.645 3.873 -1.746 1.00 0.81 C ATOM 789 CE LYS A 48 14.078 3.449 -0.352 1.00 0.97 C ATOM 790 NZ LYS A 48 14.847 2.183 -0.380 1.00 1.19 N ATOM 0 H LYS A 48 13.455 7.112 1.212 1.00 0.61 H new ATOM 0 HA LYS A 48 12.562 7.903 -1.503 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.319 5.273 0.004 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.348 5.652 -1.404 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.208 5.654 -2.855 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.354 5.885 -1.550 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.723 3.358 -2.015 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.401 3.573 -2.471 1.00 0.81 H new ATOM 0 HE2 LYS A 48 14.687 4.235 0.095 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.199 3.327 0.281 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 14.994 1.845 0.592 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 14.319 1.468 -0.919 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.769 2.347 -0.833 1.00 1.19 H new ATOM 804 N ARG A 49 11.210 8.586 1.119 1.00 0.73 N ATOM 805 CA ARG A 49 10.047 9.216 1.740 1.00 0.84 C ATOM 806 C ARG A 49 9.425 10.219 0.781 1.00 0.91 C ATOM 807 O ARG A 49 8.224 10.187 0.514 1.00 1.75 O ATOM 808 CB ARG A 49 10.435 9.925 3.042 1.00 1.03 C ATOM 809 CG ARG A 49 10.722 8.985 4.200 1.00 1.35 C ATOM 810 CD ARG A 49 11.122 9.757 5.449 1.00 1.45 C ATOM 811 NE ARG A 49 10.149 10.797 5.784 1.00 1.92 N ATOM 812 CZ ARG A 49 10.434 11.893 6.486 1.00 2.48 C ATOM 813 NH1 ARG A 49 11.645 12.063 6.999 1.00 2.70 N ATOM 814 NH2 ARG A 49 9.497 12.806 6.703 1.00 3.23 N ATOM 0 H ARG A 49 12.092 8.759 1.602 1.00 0.73 H new ATOM 0 HA ARG A 49 9.323 8.435 1.973 1.00 0.84 H new ATOM 0 HB2 ARG A 49 11.317 10.539 2.860 1.00 1.03 H new ATOM 0 HB3 ARG A 49 9.630 10.601 3.328 1.00 1.03 H new ATOM 0 HG2 ARG A 49 9.839 8.382 4.410 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.520 8.296 3.924 1.00 1.35 H new ATOM 0 HD2 ARG A 49 11.218 9.067 6.287 1.00 1.45 H new ATOM 0 HD3 ARG A 49 12.101 10.212 5.297 1.00 1.45 H new ATOM 0 HE ARG A 49 9.190 10.675 5.459 1.00 1.92 H new ATOM 0 HH11 ARG A 49 12.363 11.353 6.857 1.00 2.70 H new ATOM 0 HH12 ARG A 49 11.858 12.904 7.536 1.00 2.70 H new ATOM 0 HH21 ARG A 49 8.557 12.670 6.332 1.00 3.23 H new ATOM 0 HH22 ARG A 49 9.717 13.644 7.241 1.00 3.23 H new ATOM 828 N GLY A 50 10.265 11.092 0.243 1.00 1.00 N ATOM 829 CA GLY A 50 9.798 12.099 -0.686 1.00 1.07 C ATOM 830 C GLY A 50 9.739 11.584 -2.107 1.00 0.98 C ATOM 831 O GLY A 50 9.300 12.289 -3.017 1.00 1.12 O ATOM 0 H GLY A 50 11.266 11.120 0.435 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.807 12.438 -0.383 1.00 1.07 H new ATOM 0 HA3 GLY A 50 10.459 12.965 -0.643 1.00 1.07 H new ATOM 835 N LEU A 51 10.166 10.343 -2.303 1.00 0.81 N ATOM 836 CA LEU A 51 10.204 9.760 -3.637 1.00 0.81 C ATOM 837 C LEU A 51 8.856 9.189 -4.035 1.00 0.71 C ATOM 838 O LEU A 51 8.598 8.967 -5.219 1.00 0.88 O ATOM 839 CB LEU A 51 11.272 8.667 -3.731 1.00 0.82 C ATOM 840 CG LEU A 51 12.698 9.169 -3.977 1.00 1.11 C ATOM 841 CD1 LEU A 51 13.655 8.000 -4.158 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.742 10.085 -5.192 1.00 1.95 C ATOM 0 H LEU A 51 10.489 9.724 -1.559 1.00 0.81 H new ATOM 0 HA LEU A 51 10.457 10.564 -4.328 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.261 8.090 -2.806 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.000 7.984 -4.536 1.00 0.82 H new ATOM 0 HG LEU A 51 13.013 9.740 -3.104 1.00 1.11 H new ATOM 0 HD11 LEU A 51 14.662 8.378 -4.332 1.00 1.46 H new ATOM 0 HD12 LEU A 51 13.649 7.382 -3.260 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.340 7.401 -5.012 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.763 10.431 -5.350 1.00 1.95 H new ATOM 0 HD22 LEU A 51 12.404 9.538 -6.072 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.090 10.943 -5.025 1.00 1.95 H new ATOM 854 N GLY A 52 7.988 8.949 -3.060 1.00 0.52 N ATOM 855 CA GLY A 52 6.720 8.342 -3.386 1.00 0.43 C ATOM 856 C GLY A 52 6.629 6.915 -2.900 1.00 0.32 C ATOM 857 O GLY A 52 5.539 6.380 -2.740 1.00 0.28 O ATOM 0 H GLY A 52 8.137 9.159 -2.073 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.914 8.927 -2.943 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.574 8.366 -4.466 1.00 0.43 H new ATOM 861 N LEU A 53 7.786 6.301 -2.683 1.00 0.31 N ATOM 862 CA LEU A 53 7.901 4.858 -2.486 1.00 0.27 C ATOM 863 C LEU A 53 6.931 4.330 -1.423 1.00 0.20 C ATOM 864 O LEU A 53 6.370 3.248 -1.589 1.00 0.20 O ATOM 865 CB LEU A 53 9.350 4.531 -2.107 1.00 0.29 C ATOM 866 CG LEU A 53 9.758 3.054 -2.179 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.342 2.311 -0.926 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.153 2.400 -3.405 1.00 0.67 C ATOM 0 H LEU A 53 8.678 6.793 -2.638 1.00 0.31 H new ATOM 0 HA LEU A 53 7.631 4.361 -3.418 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.011 5.100 -2.761 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.525 4.885 -1.091 1.00 0.29 H new ATOM 0 HG LEU A 53 10.844 3.007 -2.254 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.644 1.267 -1.005 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.823 2.763 -0.058 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.260 2.368 -0.812 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.451 1.352 -3.443 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.066 2.466 -3.354 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.506 2.910 -4.301 1.00 0.67 H new ATOM 880 N ALA A 54 6.729 5.090 -0.353 1.00 0.19 N ATOM 881 CA ALA A 54 5.763 4.723 0.683 1.00 0.17 C ATOM 882 C ALA A 54 4.398 4.381 0.077 1.00 0.15 C ATOM 883 O ALA A 54 3.817 3.333 0.360 1.00 0.15 O ATOM 884 CB ALA A 54 5.615 5.859 1.679 1.00 0.24 C ATOM 0 H ALA A 54 7.221 5.966 -0.177 1.00 0.19 H new ATOM 0 HA ALA A 54 6.138 3.836 1.194 1.00 0.17 H new ATOM 0 HB1 ALA A 54 4.894 5.578 2.447 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.579 6.063 2.144 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.265 6.753 1.162 1.00 0.24 H new ATOM 890 N SER A 55 3.901 5.268 -0.770 1.00 0.17 N ATOM 891 CA SER A 55 2.631 5.051 -1.452 1.00 0.21 C ATOM 892 C SER A 55 2.743 3.932 -2.474 1.00 0.21 C ATOM 893 O SER A 55 1.771 3.244 -2.737 1.00 0.25 O ATOM 894 CB SER A 55 2.153 6.321 -2.155 1.00 0.28 C ATOM 895 OG SER A 55 3.033 6.708 -3.196 1.00 1.08 O ATOM 0 H SER A 55 4.358 6.149 -1.004 1.00 0.17 H new ATOM 0 HA SER A 55 1.905 4.771 -0.689 1.00 0.21 H new ATOM 0 HB2 SER A 55 1.156 6.157 -2.564 1.00 0.28 H new ATOM 0 HB3 SER A 55 2.071 7.130 -1.429 1.00 0.28 H new ATOM 0 HG SER A 55 3.900 6.267 -3.073 1.00 1.08 H new ATOM 901 N HIS A 56 3.928 3.756 -3.053 1.00 0.21 N ATOM 902 CA HIS A 56 4.142 2.697 -4.037 1.00 0.23 C ATOM 903 C HIS A 56 3.921 1.337 -3.394 1.00 0.20 C ATOM 904 O HIS A 56 3.506 0.389 -4.055 1.00 0.23 O ATOM 905 CB HIS A 56 5.543 2.780 -4.653 1.00 0.29 C ATOM 906 CG HIS A 56 5.686 3.857 -5.686 1.00 0.45 C ATOM 907 ND1 HIS A 56 6.204 3.629 -6.943 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.389 5.180 -5.642 1.00 0.70 C ATOM 909 CE1 HIS A 56 6.222 4.761 -7.623 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.731 5.713 -6.857 1.00 0.93 N ATOM 0 H HIS A 56 4.750 4.328 -2.860 1.00 0.21 H new ATOM 0 HA HIS A 56 3.420 2.831 -4.843 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.269 2.952 -3.859 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.788 1.820 -5.106 1.00 0.29 H new ATOM 0 HD2 HIS A 56 4.963 5.714 -4.805 1.00 0.70 H new ATOM 0 HE1 HIS A 56 6.579 4.885 -8.635 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.623 6.691 -7.125 1.00 0.93 H new ATOM 919 N LEU A 57 4.191 1.259 -2.096 1.00 0.15 N ATOM 920 CA LEU A 57 3.886 0.069 -1.317 1.00 0.13 C ATOM 921 C LEU A 57 2.374 -0.096 -1.194 1.00 0.13 C ATOM 922 O LEU A 57 1.838 -1.187 -1.391 1.00 0.15 O ATOM 923 CB LEU A 57 4.523 0.171 0.072 1.00 0.14 C ATOM 924 CG LEU A 57 6.045 0.304 0.079 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.536 0.696 1.459 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.691 -0.999 -0.353 1.00 0.22 C ATOM 0 H LEU A 57 4.623 2.012 -1.560 1.00 0.15 H new ATOM 0 HA LEU A 57 4.296 -0.804 -1.825 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.096 1.031 0.588 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.248 -0.714 0.646 1.00 0.14 H new ATOM 0 HG LEU A 57 6.325 1.086 -0.627 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.622 0.786 1.447 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.095 1.651 1.744 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.244 -0.068 2.180 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.775 -0.888 -0.343 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.401 -1.794 0.334 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.361 -1.252 -1.361 1.00 0.22 H new ATOM 938 N CYS A 58 1.691 1.001 -0.879 1.00 0.16 N ATOM 939 CA CYS A 58 0.232 1.000 -0.790 1.00 0.19 C ATOM 940 C CYS A 58 -0.400 0.698 -2.151 1.00 0.19 C ATOM 941 O CYS A 58 -1.374 -0.050 -2.245 1.00 0.20 O ATOM 942 CB CYS A 58 -0.267 2.346 -0.247 1.00 0.23 C ATOM 943 SG CYS A 58 -2.060 2.445 -0.048 1.00 0.27 S ATOM 0 H CYS A 58 2.124 1.903 -0.681 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.069 0.212 -0.100 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.205 2.534 0.717 1.00 0.23 H new ATOM 0 HB3 CYS A 58 0.057 3.139 -0.920 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.617 2.617 -1.210 1.00 0.27 H new ATOM 949 N VAL A 59 0.168 1.273 -3.200 1.00 0.19 N ATOM 950 CA VAL A 59 -0.305 1.045 -4.556 1.00 0.22 C ATOM 951 C VAL A 59 -0.045 -0.398 -4.983 1.00 0.20 C ATOM 952 O VAL A 59 -0.830 -0.983 -5.726 1.00 0.22 O ATOM 953 CB VAL A 59 0.356 2.022 -5.554 1.00 0.25 C ATOM 954 CG1 VAL A 59 0.012 1.667 -6.996 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.065 3.452 -5.252 1.00 0.29 C ATOM 0 H VAL A 59 0.965 1.907 -3.136 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.380 1.226 -4.564 1.00 0.22 H new ATOM 0 HB VAL A 59 1.436 1.935 -5.436 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.494 2.375 -7.670 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.364 0.659 -7.216 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.068 1.712 -7.134 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.409 4.129 -5.963 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.148 3.538 -5.336 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.243 3.716 -4.240 1.00 0.29 H new ATOM 965 N ALA A 60 1.049 -0.973 -4.496 1.00 0.18 N ATOM 966 CA ALA A 60 1.353 -2.372 -4.764 1.00 0.21 C ATOM 967 C ALA A 60 0.244 -3.268 -4.223 1.00 0.17 C ATOM 968 O ALA A 60 -0.100 -4.284 -4.828 1.00 0.17 O ATOM 969 CB ALA A 60 2.695 -2.755 -4.161 1.00 0.28 C ATOM 0 H ALA A 60 1.737 -0.493 -3.916 1.00 0.18 H new ATOM 0 HA ALA A 60 1.414 -2.512 -5.843 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.903 -3.804 -4.373 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.479 -2.135 -4.595 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.666 -2.601 -3.082 1.00 0.28 H new ATOM 975 N ALA A 61 -0.328 -2.883 -3.085 1.00 0.16 N ATOM 976 CA ALA A 61 -1.449 -3.611 -2.534 1.00 0.16 C ATOM 977 C ALA A 61 -2.704 -3.354 -3.361 1.00 0.14 C ATOM 978 O ALA A 61 -3.505 -4.265 -3.583 1.00 0.15 O ATOM 979 CB ALA A 61 -1.663 -3.228 -1.086 1.00 0.20 C ATOM 0 H ALA A 61 -0.031 -2.076 -2.536 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.231 -4.678 -2.573 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.510 -3.784 -0.684 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.768 -3.465 -0.511 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.865 -2.159 -1.018 1.00 0.20 H new ATOM 985 N PHE A 62 -2.861 -2.115 -3.828 1.00 0.14 N ATOM 986 CA PHE A 62 -3.958 -1.770 -4.726 1.00 0.15 C ATOM 987 C PHE A 62 -3.916 -2.644 -5.971 1.00 0.15 C ATOM 988 O PHE A 62 -4.907 -3.280 -6.325 1.00 0.16 O ATOM 989 CB PHE A 62 -3.901 -0.300 -5.154 1.00 0.17 C ATOM 990 CG PHE A 62 -4.361 0.695 -4.116 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.556 0.507 -3.430 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.585 1.799 -3.806 1.00 0.20 C ATOM 993 CE1 PHE A 62 -5.965 1.405 -2.456 1.00 0.23 C ATOM 994 CE2 PHE A 62 -3.991 2.700 -2.839 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.240 2.556 -2.242 1.00 0.24 C ATOM 0 H PHE A 62 -2.243 -1.337 -3.599 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.885 -1.939 -4.179 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -2.875 -0.060 -5.433 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.512 -0.176 -6.048 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.173 -0.349 -3.659 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.652 1.958 -4.326 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.848 1.203 -1.868 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.341 3.512 -2.548 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.638 3.341 -1.616 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.754 -2.667 -6.618 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.537 -3.461 -7.825 1.00 0.19 C ATOM 1007 C GLU A 63 -2.888 -4.924 -7.596 1.00 0.19 C ATOM 1008 O GLU A 63 -3.426 -5.590 -8.478 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.076 -3.348 -8.269 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.697 -1.970 -8.781 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.302 -1.671 -10.135 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.501 -1.322 -10.183 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.589 -1.770 -11.153 1.00 1.58 O ATOM 0 H GLU A 63 -1.936 -2.136 -6.321 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.190 -3.070 -8.605 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.430 -3.604 -7.429 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.886 -4.082 -9.053 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.025 -1.216 -8.065 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.388 -1.896 -8.847 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.604 -5.406 -6.397 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.842 -6.802 -6.060 1.00 0.19 C ATOM 1022 C HIS A 64 -4.334 -7.075 -5.921 1.00 0.19 C ATOM 1023 O HIS A 64 -4.866 -8.022 -6.502 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.129 -7.154 -4.753 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.227 -8.603 -4.384 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -3.111 -9.082 -3.441 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -1.550 -9.679 -4.843 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -2.970 -10.391 -3.336 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.031 -10.779 -4.177 1.00 1.33 N ATOM 0 H HIS A 64 -2.208 -4.851 -5.639 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.447 -7.422 -6.865 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.077 -6.880 -4.838 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.550 -6.554 -3.947 1.00 0.20 H new ATOM 0 HD1 HIS A 64 -3.770 -8.515 -2.908 1.00 1.50 H new ATOM 0 HD2 HIS A 64 -0.774 -9.674 -5.594 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -3.529 -11.035 -2.673 1.00 1.68 H new ATOM 1038 N ALA A 65 -5.005 -6.238 -5.148 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.414 -6.434 -4.873 1.00 0.16 C ATOM 1040 C ALA A 65 -7.263 -6.156 -6.102 1.00 0.15 C ATOM 1041 O ALA A 65 -8.092 -6.978 -6.474 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.858 -5.561 -3.722 1.00 0.20 C ATOM 0 H ALA A 65 -4.595 -5.418 -4.701 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.554 -7.479 -4.596 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.919 -5.723 -3.531 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.286 -5.816 -2.830 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.690 -4.514 -3.974 1.00 0.20 H new ATOM 1048 N SER A 66 -7.052 -5.003 -6.730 1.00 0.16 N ATOM 1049 CA SER A 66 -7.825 -4.625 -7.917 1.00 0.20 C ATOM 1050 C SER A 66 -7.808 -5.727 -8.986 1.00 0.24 C ATOM 1051 O SER A 66 -8.846 -6.062 -9.556 1.00 0.31 O ATOM 1052 CB SER A 66 -7.289 -3.317 -8.504 1.00 0.24 C ATOM 1053 OG SER A 66 -5.893 -3.400 -8.751 1.00 1.21 O ATOM 0 H SER A 66 -6.357 -4.315 -6.442 1.00 0.16 H new ATOM 0 HA SER A 66 -8.859 -4.484 -7.603 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.813 -3.090 -9.433 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.491 -2.496 -7.816 1.00 0.24 H new ATOM 0 HG SER A 66 -5.408 -3.363 -7.900 1.00 1.21 H new ATOM 1059 N SER A 67 -6.638 -6.306 -9.233 1.00 0.25 N ATOM 1060 CA SER A 67 -6.494 -7.339 -10.254 1.00 0.33 C ATOM 1061 C SER A 67 -7.222 -8.626 -9.858 1.00 0.34 C ATOM 1062 O SER A 67 -7.694 -9.374 -10.716 1.00 0.44 O ATOM 1063 CB SER A 67 -5.013 -7.631 -10.498 1.00 0.39 C ATOM 1064 OG SER A 67 -4.312 -6.446 -10.835 1.00 1.20 O ATOM 0 H SER A 67 -5.775 -6.078 -8.740 1.00 0.25 H new ATOM 0 HA SER A 67 -6.947 -6.966 -11.173 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.574 -8.076 -9.605 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.910 -8.360 -11.301 1.00 0.39 H new ATOM 0 HG SER A 67 -4.148 -5.921 -10.024 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.326 -8.876 -8.558 1.00 0.29 N ATOM 1071 CA HIS A 68 -7.976 -10.089 -8.067 1.00 0.35 C ATOM 1072 C HIS A 68 -9.423 -9.793 -7.653 1.00 0.37 C ATOM 1073 O HIS A 68 -10.115 -10.658 -7.115 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.178 -10.665 -6.887 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.546 -12.075 -6.515 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -8.438 -12.551 -5.614 1.00 1.25 N flip ATOM 1077 CD2 HIS A 68 -6.955 -13.181 -7.078 1.00 1.16 C flip ATOM 1078 CE1 HIS A 68 -8.372 -13.919 -5.652 1.00 1.03 C flip ATOM 1079 NE2 HIS A 68 -7.469 -14.273 -6.546 1.00 0.82 N flip ATOM 0 H HIS A 68 -6.971 -8.260 -7.827 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.000 -10.828 -8.867 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.116 -10.633 -7.132 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.324 -10.023 -6.018 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -6.188 -13.159 -7.838 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -8.961 -14.595 -5.050 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -7.211 -15.230 -6.786 1.00 0.82 H new ATOM 1088 N SER A 69 -9.866 -8.568 -7.923 1.00 0.33 N ATOM 1089 CA SER A 69 -11.218 -8.121 -7.578 1.00 0.37 C ATOM 1090 C SER A 69 -11.433 -8.154 -6.061 1.00 0.34 C ATOM 1091 O SER A 69 -12.451 -8.646 -5.570 1.00 0.54 O ATOM 1092 CB SER A 69 -12.265 -8.986 -8.292 1.00 0.47 C ATOM 1093 OG SER A 69 -12.072 -8.960 -9.699 1.00 1.12 O ATOM 0 H SER A 69 -9.301 -7.856 -8.386 1.00 0.33 H new ATOM 0 HA SER A 69 -11.334 -7.090 -7.913 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.201 -10.013 -7.931 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.265 -8.625 -8.052 1.00 0.47 H new ATOM 0 HG SER A 69 -12.750 -9.520 -10.133 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.469 -7.615 -5.331 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.522 -7.590 -3.876 1.00 0.21 C ATOM 1101 C ILE A 70 -10.794 -6.168 -3.379 1.00 0.19 C ATOM 1102 O ILE A 70 -10.441 -5.194 -4.042 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.191 -8.103 -3.264 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.808 -9.458 -3.861 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.288 -8.218 -1.750 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.484 -9.991 -3.350 1.00 0.36 C ATOM 0 H ILE A 70 -9.633 -7.185 -5.726 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.332 -8.247 -3.559 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.417 -7.375 -3.507 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.593 -10.180 -3.636 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.760 -9.368 -4.946 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.340 -8.580 -1.351 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.511 -7.240 -1.324 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.082 -8.917 -1.488 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.276 -10.954 -3.815 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.689 -9.288 -3.599 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.534 -10.114 -2.268 1.00 0.36 H new ATOM 1118 N SER A 71 -11.417 -6.056 -2.215 1.00 0.19 N ATOM 1119 CA SER A 71 -11.653 -4.766 -1.589 1.00 0.19 C ATOM 1120 C SER A 71 -10.476 -4.463 -0.664 1.00 0.17 C ATOM 1121 O SER A 71 -9.718 -5.363 -0.325 1.00 0.19 O ATOM 1122 CB SER A 71 -12.979 -4.803 -0.811 1.00 0.23 C ATOM 1123 OG SER A 71 -13.380 -3.515 -0.372 1.00 1.01 O ATOM 0 H SER A 71 -11.770 -6.851 -1.682 1.00 0.19 H new ATOM 0 HA SER A 71 -11.731 -3.979 -2.340 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.758 -5.228 -1.444 1.00 0.23 H new ATOM 0 HB3 SER A 71 -12.874 -5.462 0.051 1.00 0.23 H new ATOM 0 HG SER A 71 -13.083 -2.842 -1.019 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.298 -3.209 -0.275 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.125 -2.813 0.499 1.00 0.14 C ATOM 1131 C ILE A 72 -9.500 -1.838 1.625 1.00 0.14 C ATOM 1132 O ILE A 72 -10.461 -1.080 1.515 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.056 -2.157 -0.427 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.481 -3.177 -1.411 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.931 -1.508 0.366 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.254 -2.679 -2.150 1.00 0.20 C ATOM 0 H ILE A 72 -10.947 -2.449 -0.480 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.709 -3.715 0.948 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.566 -1.373 -0.987 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.225 -4.088 -0.870 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.249 -3.443 -2.137 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.210 -1.064 -0.321 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.342 -0.732 1.012 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.434 -2.262 0.976 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.900 -3.453 -2.830 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.510 -1.785 -2.719 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.469 -2.440 -1.432 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.739 -1.896 2.709 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.839 -0.953 3.817 1.00 0.13 C ATOM 1150 C ILE A 73 -7.428 -0.522 4.209 1.00 0.13 C ATOM 1151 O ILE A 73 -6.649 -1.326 4.698 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.526 -1.587 5.049 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.007 -1.871 4.775 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.358 -0.698 6.275 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.853 -0.631 4.573 1.00 0.24 C ATOM 0 H ILE A 73 -8.024 -2.610 2.847 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.441 -0.103 3.495 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.040 -2.541 5.251 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.086 -2.499 3.888 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.415 -2.443 5.608 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.848 -1.162 7.131 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.297 -0.571 6.490 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.808 0.276 6.083 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.886 -0.922 4.385 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.808 -0.010 5.468 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.474 -0.067 3.721 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.057 0.734 3.970 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.707 1.202 4.223 1.00 0.18 C ATOM 1169 C PRO A 74 -5.501 1.767 5.633 1.00 0.17 C ATOM 1170 O PRO A 74 -5.952 2.870 5.946 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.522 2.298 3.163 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.885 2.564 2.581 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.882 1.795 3.408 1.00 0.23 C ATOM 0 HA PRO A 74 -4.984 0.389 4.164 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.107 3.202 3.608 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.826 1.975 2.389 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.110 3.630 2.601 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.926 2.249 1.538 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.333 2.415 4.183 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.697 1.400 2.801 1.00 0.23 H new ATOM 1181 N SER A 75 -4.829 0.995 6.485 1.00 0.16 N ATOM 1182 CA SER A 75 -4.330 1.500 7.763 1.00 0.17 C ATOM 1183 C SER A 75 -3.084 2.348 7.486 1.00 0.16 C ATOM 1184 O SER A 75 -2.687 3.203 8.278 1.00 0.20 O ATOM 1185 CB SER A 75 -4.003 0.343 8.713 1.00 0.20 C ATOM 1186 OG SER A 75 -3.648 0.820 9.998 1.00 1.19 O ATOM 0 H SER A 75 -4.617 0.012 6.312 1.00 0.16 H new ATOM 0 HA SER A 75 -5.093 2.109 8.247 1.00 0.17 H new ATOM 0 HB2 SER A 75 -4.865 -0.320 8.793 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.184 -0.248 8.302 1.00 0.20 H new ATOM 0 HG SER A 75 -3.446 0.061 10.584 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.492 2.084 6.326 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.474 2.930 5.695 1.00 0.17 C ATOM 1194 C CYS A 76 -2.052 4.295 5.313 1.00 0.16 C ATOM 1195 O CYS A 76 -1.494 4.989 4.470 1.00 0.20 O ATOM 1196 CB CYS A 76 -0.858 2.249 4.473 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.342 0.550 4.777 1.00 0.90 S ATOM 0 H CYS A 76 -2.711 1.251 5.779 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.682 3.085 6.428 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.582 2.260 3.658 1.00 0.25 H new ATOM 0 HB3 CYS A 76 0.004 2.828 4.141 1.00 0.25 H new ATOM 0 HG CYS A 76 -0.958 0.091 5.826 1.00 0.90 H new ATOM 1203 N SER A 77 -3.233 4.601 5.853 1.00 0.20 N ATOM 1204 CA SER A 77 -4.053 5.754 5.487 1.00 0.25 C ATOM 1205 C SER A 77 -3.299 7.095 5.449 1.00 0.24 C ATOM 1206 O SER A 77 -3.884 8.106 5.068 1.00 0.26 O ATOM 1207 CB SER A 77 -5.212 5.855 6.476 1.00 0.34 C ATOM 1208 OG SER A 77 -4.735 5.842 7.812 1.00 0.71 O ATOM 0 H SER A 77 -3.659 4.031 6.584 1.00 0.20 H new ATOM 0 HA SER A 77 -4.394 5.580 4.466 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.773 6.772 6.294 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.901 5.024 6.323 1.00 0.34 H new ATOM 0 HG SER A 77 -5.492 5.909 8.430 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.032 7.123 5.843 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.177 8.252 5.494 1.00 0.24 C ATOM 1216 C TYR A 78 -1.198 8.395 3.975 1.00 0.20 C ATOM 1217 O TYR A 78 -1.392 9.481 3.438 1.00 0.21 O ATOM 1218 CB TYR A 78 0.262 8.025 5.999 1.00 0.27 C ATOM 1219 CG TYR A 78 1.339 8.393 4.990 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.752 9.715 4.842 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.956 7.425 4.208 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.745 10.062 3.947 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.949 7.764 3.309 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.280 9.055 3.108 1.00 0.25 C ATOM 1225 OH TYR A 78 4.331 9.412 2.284 1.00 0.30 O ATOM 0 H TYR A 78 -1.580 6.393 6.393 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.544 9.163 5.966 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.414 8.610 6.906 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.379 6.976 6.273 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.286 10.485 5.439 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.655 6.392 4.304 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.105 11.078 3.889 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.464 6.988 2.763 1.00 0.27 H new ATOM 0 HH TYR A 78 4.023 9.440 1.354 1.00 0.30 H new ATOM 1235 N VAL A 79 -1.043 7.258 3.307 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.146 7.171 1.863 1.00 0.17 C ATOM 1237 C VAL A 79 -2.570 7.454 1.430 1.00 0.18 C ATOM 1238 O VAL A 79 -2.817 8.290 0.571 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.764 5.762 1.358 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.964 5.653 -0.145 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.666 5.417 1.736 1.00 0.18 C ATOM 0 H VAL A 79 -0.841 6.366 3.759 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.460 7.905 1.440 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.424 5.043 1.842 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.688 4.652 -0.477 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -2.010 5.841 -0.387 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.337 6.388 -0.650 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.909 4.420 1.368 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.345 6.144 1.291 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.771 5.439 2.821 1.00 0.18 H new ATOM 1251 N SER A 80 -3.499 6.760 2.065 1.00 0.20 N ATOM 1252 CA SER A 80 -4.908 6.834 1.696 1.00 0.25 C ATOM 1253 C SER A 80 -5.428 8.272 1.738 1.00 0.23 C ATOM 1254 O SER A 80 -6.146 8.712 0.848 1.00 0.23 O ATOM 1255 CB SER A 80 -5.724 5.947 2.639 1.00 0.36 C ATOM 1256 OG SER A 80 -7.087 5.896 2.269 1.00 0.99 O ATOM 0 H SER A 80 -3.303 6.133 2.845 1.00 0.20 H new ATOM 0 HA SER A 80 -5.014 6.480 0.671 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.310 4.939 2.638 1.00 0.36 H new ATOM 0 HB3 SER A 80 -5.639 6.325 3.658 1.00 0.36 H new ATOM 0 HG SER A 80 -7.229 5.154 1.645 1.00 0.99 H new ATOM 1262 N ASP A 81 -5.028 9.003 2.757 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.548 10.343 2.995 1.00 0.25 C ATOM 1264 C ASP A 81 -4.991 11.356 1.997 1.00 0.25 C ATOM 1265 O ASP A 81 -5.734 12.178 1.490 1.00 0.27 O ATOM 1266 CB ASP A 81 -5.214 10.787 4.422 1.00 0.31 C ATOM 1267 CG ASP A 81 -5.401 12.277 4.649 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.537 12.710 4.935 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -4.399 13.021 4.572 1.00 0.47 O ATOM 0 H ASP A 81 -4.339 8.693 3.442 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.629 10.304 2.863 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.844 10.238 5.122 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -4.181 10.520 4.646 1.00 0.31 H new ATOM 1274 N THR A 82 -3.680 11.339 1.762 1.00 0.23 N ATOM 1275 CA THR A 82 -3.068 12.300 0.839 1.00 0.25 C ATOM 1276 C THR A 82 -3.053 11.796 -0.616 1.00 0.22 C ATOM 1277 O THR A 82 -3.453 12.508 -1.542 1.00 0.23 O ATOM 1278 CB THR A 82 -1.640 12.711 1.298 1.00 0.28 C ATOM 1279 OG1 THR A 82 -1.102 13.720 0.433 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.689 11.527 1.331 1.00 0.26 C ATOM 0 H THR A 82 -3.027 10.682 2.189 1.00 0.23 H new ATOM 0 HA THR A 82 -3.699 13.188 0.864 1.00 0.25 H new ATOM 0 HB THR A 82 -1.736 13.104 2.310 1.00 0.28 H new ATOM 0 HG1 THR A 82 -0.204 13.967 0.738 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.296 11.861 1.657 1.00 0.26 H new ATOM 0 HG22 THR A 82 -1.066 10.777 2.026 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.614 11.093 0.334 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.595 10.564 -0.814 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.364 10.026 -2.154 1.00 0.19 C ATOM 1290 C PHE A 83 -3.635 9.654 -2.894 1.00 0.19 C ATOM 1291 O PHE A 83 -3.670 9.696 -4.118 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.460 8.812 -2.086 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.072 9.158 -1.619 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.626 10.196 -2.220 1.00 0.81 C ATOM 1295 CD2 PHE A 83 0.520 8.483 -0.568 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.889 10.545 -1.786 1.00 1.50 C ATOM 1297 CE2 PHE A 83 1.782 8.831 -0.125 1.00 2.25 C ATOM 1298 CZ PHE A 83 2.468 9.863 -0.737 1.00 2.24 C ATOM 0 H PHE A 83 -2.375 9.914 -0.059 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.890 10.831 -2.716 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -1.895 8.075 -1.410 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.404 8.348 -3.071 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.175 10.738 -3.038 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -0.010 7.674 -0.087 1.00 1.54 H new ATOM 0 HE1 PHE A 83 2.423 11.351 -2.267 1.00 1.50 H new ATOM 0 HE2 PHE A 83 2.232 8.297 0.699 1.00 2.25 H new ATOM 0 HZ PHE A 83 3.455 10.135 -0.394 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.657 9.249 -2.176 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.900 8.855 -2.827 1.00 0.19 C ATOM 1310 C LEU A 84 -6.697 10.039 -3.388 1.00 0.22 C ATOM 1311 O LEU A 84 -7.351 9.895 -4.414 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.732 7.996 -1.898 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.289 6.535 -1.884 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.024 5.755 -0.826 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.506 5.907 -3.247 1.00 0.34 C ATOM 0 H LEU A 84 -4.661 9.182 -1.158 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.629 8.259 -3.698 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.671 8.399 -0.887 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.778 8.050 -2.200 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.226 6.506 -1.647 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.688 4.718 -0.839 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.822 6.190 0.153 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.095 5.792 -1.025 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.186 4.865 -3.223 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.564 5.956 -3.506 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.925 6.448 -3.994 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.699 11.213 -2.734 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.171 12.449 -3.371 1.00 0.26 C ATOM 1329 C PRO A 85 -6.305 12.812 -4.574 1.00 0.28 C ATOM 1330 O PRO A 85 -6.768 13.438 -5.530 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.025 13.511 -2.284 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.966 12.755 -1.010 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.340 11.427 -1.329 1.00 0.22 C ATOM 0 HA PRO A 85 -8.192 12.354 -3.742 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.123 14.105 -2.432 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.867 14.203 -2.293 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.377 13.293 -0.267 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.964 12.623 -0.591 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.259 11.448 -1.189 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.729 10.635 -0.689 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.039 12.419 -4.500 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.090 12.627 -5.590 1.00 0.31 C ATOM 1343 C ARG A 86 -4.463 11.746 -6.778 1.00 0.35 C ATOM 1344 O ARG A 86 -4.638 12.226 -7.897 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.674 12.285 -5.109 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.573 12.597 -6.106 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.226 12.113 -5.590 1.00 0.72 C ATOM 1348 NE ARG A 86 0.873 12.475 -6.482 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.122 12.028 -6.345 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.422 11.148 -5.396 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.071 12.453 -7.167 1.00 2.56 N ATOM 0 H ARG A 86 -4.641 11.949 -3.687 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.122 13.671 -5.901 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.476 12.832 -4.187 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.634 11.223 -4.865 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.795 12.120 -7.061 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.534 13.671 -6.287 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.044 12.537 -4.603 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.253 11.030 -5.472 1.00 0.72 H new ATOM 0 HE ARG A 86 0.673 13.108 -7.256 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.695 10.810 -4.766 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.380 10.811 -5.297 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.846 13.122 -7.904 1.00 2.56 H new ATOM 0 HH22 ARG A 86 4.026 12.112 -7.063 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.594 10.454 -6.509 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.942 9.468 -7.523 1.00 0.37 C ATOM 1367 C ASN A 87 -6.171 8.682 -7.072 1.00 0.34 C ATOM 1368 O ASN A 87 -6.056 7.601 -6.494 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.764 8.517 -7.752 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.493 9.243 -8.159 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.520 10.186 -8.951 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.378 8.839 -7.569 1.00 1.22 N ATOM 0 H ASN A 87 -4.461 10.059 -5.578 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.168 9.978 -8.459 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.577 7.951 -6.840 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -4.029 7.797 -8.526 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -0.497 9.314 -7.764 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.401 8.053 -6.919 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.369 9.229 -7.316 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.627 8.691 -6.797 1.00 0.42 C ATOM 1381 C PRO A 88 -9.204 7.572 -7.659 1.00 0.49 C ATOM 1382 O PRO A 88 -10.410 7.526 -7.907 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.563 9.911 -6.815 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.792 11.038 -7.432 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.606 10.428 -8.116 1.00 0.46 C ATOM 0 HA PRO A 88 -8.493 8.240 -5.814 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.464 9.699 -7.390 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.883 10.168 -5.805 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.410 11.585 -8.144 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.475 11.751 -6.671 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.817 10.187 -9.158 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.745 11.097 -8.112 1.00 0.46 H new ATOM 1393 N SER A 89 -8.357 6.642 -8.066 1.00 0.30 N ATOM 1394 CA SER A 89 -8.772 5.596 -8.987 1.00 0.36 C ATOM 1395 C SER A 89 -8.929 4.262 -8.259 1.00 0.34 C ATOM 1396 O SER A 89 -9.182 3.228 -8.875 1.00 0.42 O ATOM 1397 CB SER A 89 -7.745 5.476 -10.117 1.00 0.44 C ATOM 1398 OG SER A 89 -7.426 6.757 -10.647 1.00 1.37 O ATOM 0 H SER A 89 -7.381 6.589 -7.775 1.00 0.30 H new ATOM 0 HA SER A 89 -9.741 5.860 -9.410 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.840 4.996 -9.743 1.00 0.44 H new ATOM 0 HB3 SER A 89 -8.140 4.838 -10.908 1.00 0.44 H new ATOM 0 HG SER A 89 -6.767 6.659 -11.366 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.799 4.298 -6.938 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.854 3.085 -6.131 1.00 0.28 C ATOM 1406 C TRP A 90 -10.101 3.074 -5.248 1.00 0.32 C ATOM 1407 O TRP A 90 -10.197 2.298 -4.295 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.596 2.973 -5.277 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.330 3.191 -6.056 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.492 4.263 -5.962 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.765 2.328 -7.052 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.439 4.117 -6.825 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.582 2.939 -7.507 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.140 1.099 -7.599 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.772 2.362 -8.481 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.336 0.528 -8.567 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.165 1.159 -8.998 1.00 0.38 C ATOM 0 H TRP A 90 -8.655 5.154 -6.403 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.907 2.226 -6.799 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.648 3.702 -4.469 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.565 1.986 -4.815 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.638 5.105 -5.302 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.672 4.779 -6.941 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.042 0.604 -7.271 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.867 2.847 -8.816 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.617 -0.422 -8.998 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.558 0.686 -9.756 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.057 3.936 -5.583 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.340 3.984 -4.882 1.00 0.43 C ATOM 1430 C LYS A 91 -13.068 2.628 -4.907 1.00 0.41 C ATOM 1431 O LYS A 91 -13.580 2.198 -3.874 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.252 5.072 -5.461 1.00 0.55 C ATOM 1433 CG LYS A 91 -12.927 6.479 -4.980 1.00 1.20 C ATOM 1434 CD LYS A 91 -13.975 7.474 -5.456 1.00 1.38 C ATOM 1435 CE LYS A 91 -13.861 8.810 -4.736 1.00 1.83 C ATOM 1436 NZ LYS A 91 -12.576 9.498 -5.019 1.00 2.61 N ATOM 0 H LYS A 91 -10.968 4.615 -6.339 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.113 4.227 -3.844 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -13.184 5.047 -6.549 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -14.285 4.841 -5.201 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -12.876 6.492 -3.891 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -11.945 6.775 -5.349 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -13.866 7.630 -6.529 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.970 7.058 -5.294 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -14.688 9.453 -5.036 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -13.955 8.650 -3.662 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -12.553 10.410 -4.520 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -11.786 8.905 -4.693 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -12.488 9.661 -6.042 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.136 1.931 -6.072 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.773 0.604 -6.170 1.00 0.42 C ATOM 1452 C PRO A 92 -13.181 -0.437 -5.216 1.00 0.38 C ATOM 1453 O PRO A 92 -13.737 -1.523 -5.043 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.526 0.177 -7.624 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.468 1.090 -8.133 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.657 2.379 -7.393 1.00 0.43 C ATOM 0 HA PRO A 92 -14.825 0.667 -5.893 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.206 -0.863 -7.678 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.436 0.262 -8.218 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.475 0.677 -7.954 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.563 1.238 -9.209 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.726 2.941 -7.316 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.381 3.027 -7.887 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.059 -0.107 -4.599 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.391 -1.031 -3.702 1.00 0.26 C ATOM 1466 C LEU A 93 -11.676 -0.683 -2.252 1.00 0.22 C ATOM 1467 O LEU A 93 -12.127 -1.523 -1.481 1.00 0.21 O ATOM 1468 CB LEU A 93 -9.887 -1.002 -3.954 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.495 -1.161 -5.416 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -7.989 -1.033 -5.580 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -9.979 -2.500 -5.954 1.00 0.26 C ATOM 0 H LEU A 93 -11.593 0.794 -4.704 1.00 0.30 H new ATOM 0 HA LEU A 93 -11.774 -2.033 -3.896 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.486 -0.059 -3.583 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.418 -1.798 -3.375 1.00 0.25 H new ATOM 0 HG LEU A 93 -9.972 -0.367 -5.990 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.726 -1.149 -6.631 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.667 -0.051 -5.232 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.492 -1.806 -4.994 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.690 -2.597 -7.001 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.529 -3.308 -5.377 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.064 -2.555 -5.870 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.426 0.560 -1.884 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.518 0.963 -0.490 1.00 0.22 C ATOM 1485 C ILE A 94 -12.738 1.846 -0.241 1.00 0.27 C ATOM 1486 O ILE A 94 -13.713 1.805 -0.990 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.256 1.735 -0.048 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.234 3.143 -0.634 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.001 0.994 -0.469 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.464 4.102 0.232 1.00 0.75 C ATOM 0 H ILE A 94 -11.159 1.306 -2.526 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.611 0.046 0.093 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.284 1.810 1.039 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.789 3.115 -1.628 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.256 3.502 -0.753 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.123 1.554 -0.148 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -8.990 0.006 -0.008 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -8.988 0.888 -1.554 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.474 5.092 -0.223 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.925 4.152 1.219 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.434 3.758 0.329 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.676 2.610 0.848 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.617 3.692 1.096 1.00 0.43 C ATOM 1504 C HIS A 95 -13.644 4.633 -0.111 1.00 0.39 C ATOM 1505 O HIS A 95 -14.510 4.531 -0.976 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.203 4.475 2.353 1.00 0.64 C ATOM 1507 CG HIS A 95 -13.353 3.731 3.644 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -12.497 3.911 4.713 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.271 2.821 4.049 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -12.887 3.147 5.717 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -13.958 2.477 5.340 1.00 1.70 N ATOM 0 H HIS A 95 -11.974 2.494 1.579 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.610 3.271 1.252 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.162 4.779 2.246 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.798 5.387 2.406 1.00 0.64 H new ATOM 0 HD1 HIS A 95 -11.691 4.536 4.725 1.00 2.01 H new ATOM 0 HD2 HIS A 95 -15.095 2.438 3.465 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -12.409 3.082 6.683 1.00 2.24 H new ATOM 1520 N SER A 96 -12.658 5.525 -0.155 1.00 0.41 N ATOM 1521 CA SER A 96 -12.422 6.444 -1.270 1.00 0.49 C ATOM 1522 C SER A 96 -11.105 7.145 -1.005 1.00 0.67 C ATOM 1523 O SER A 96 -10.169 7.094 -1.801 1.00 1.53 O ATOM 1524 CB SER A 96 -13.531 7.491 -1.395 1.00 0.51 C ATOM 1525 OG SER A 96 -14.754 6.913 -1.818 1.00 1.43 O ATOM 0 H SER A 96 -11.983 5.633 0.602 1.00 0.41 H new ATOM 0 HA SER A 96 -12.404 5.878 -2.202 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.675 7.984 -0.434 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.227 8.260 -2.106 1.00 0.51 H new ATOM 0 HG SER A 96 -14.649 5.941 -1.890 1.00 1.43 H new ATOM 1531 N GLU A 97 -11.074 7.798 0.142 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.875 8.333 0.724 1.00 0.52 C ATOM 1533 C GLU A 97 -9.705 7.605 2.060 1.00 0.61 C ATOM 1534 O GLU A 97 -10.204 6.486 2.199 1.00 0.83 O ATOM 1535 CB GLU A 97 -10.048 9.852 0.870 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.859 10.602 1.437 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.233 12.013 1.828 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.194 12.903 0.958 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -9.539 12.246 3.011 1.00 1.79 O ATOM 0 H GLU A 97 -11.908 7.971 0.703 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.979 8.182 0.122 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.281 10.268 -0.110 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.910 10.040 1.509 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.474 10.071 2.308 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -8.057 10.628 0.699 1.00 1.09 H new ATOM 1546 N VAL A 98 -9.049 8.213 3.034 1.00 0.58 N ATOM 1547 CA VAL A 98 -8.798 7.552 4.312 1.00 0.73 C ATOM 1548 C VAL A 98 -10.096 7.071 4.977 1.00 1.10 C ATOM 1549 O VAL A 98 -10.229 5.889 5.310 1.00 1.50 O ATOM 1550 CB VAL A 98 -8.000 8.467 5.276 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -8.590 9.865 5.323 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.942 7.869 6.675 1.00 0.79 C ATOM 0 H VAL A 98 -8.680 9.161 2.969 1.00 0.58 H new ATOM 0 HA VAL A 98 -8.192 6.672 4.095 1.00 0.73 H new ATOM 0 HB VAL A 98 -6.983 8.540 4.891 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -8.008 10.483 6.008 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -8.564 10.305 4.326 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -9.622 9.813 5.669 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -7.376 8.531 7.331 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.954 7.752 7.063 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -7.454 6.895 6.634 1.00 0.79 H new ATOM 1562 N PHE A 99 -11.067 7.963 5.130 1.00 1.35 N ATOM 1563 CA PHE A 99 -12.289 7.616 5.843 1.00 1.84 C ATOM 1564 C PHE A 99 -13.508 8.295 5.228 1.00 1.68 C ATOM 1565 O PHE A 99 -14.592 7.717 5.188 1.00 2.21 O ATOM 1566 CB PHE A 99 -12.158 7.997 7.322 1.00 2.46 C ATOM 1567 CG PHE A 99 -13.279 7.493 8.187 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -13.383 6.144 8.488 1.00 3.94 C ATOM 1569 CD2 PHE A 99 -14.220 8.367 8.708 1.00 3.78 C ATOM 1570 CE1 PHE A 99 -14.404 5.675 9.291 1.00 5.00 C ATOM 1571 CE2 PHE A 99 -15.245 7.904 9.511 1.00 4.85 C ATOM 1572 CZ PHE A 99 -15.337 6.557 9.803 1.00 5.42 C ATOM 0 H PHE A 99 -11.034 8.919 4.775 1.00 1.35 H new ATOM 0 HA PHE A 99 -12.433 6.539 5.760 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -11.215 7.607 7.704 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -12.110 9.083 7.404 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -12.657 5.451 8.090 1.00 3.94 H new ATOM 0 HD2 PHE A 99 -14.152 9.421 8.484 1.00 3.78 H new ATOM 0 HE1 PHE A 99 -14.473 4.621 9.518 1.00 5.00 H new ATOM 0 HE2 PHE A 99 -15.973 8.595 9.910 1.00 4.85 H new ATOM 0 HZ PHE A 99 -16.137 6.193 10.431 1.00 5.42 H new ATOM 1582 N LYS A 100 -13.335 9.516 4.738 1.00 1.18 N ATOM 1583 CA LYS A 100 -14.458 10.259 4.179 1.00 1.33 C ATOM 1584 C LYS A 100 -14.875 9.678 2.826 1.00 1.40 C ATOM 1585 O LYS A 100 -14.176 8.826 2.267 1.00 2.17 O ATOM 1586 CB LYS A 100 -14.118 11.756 4.070 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.997 12.096 3.093 1.00 1.30 C ATOM 1588 CD LYS A 100 -13.521 12.305 1.679 1.00 1.47 C ATOM 1589 CE LYS A 100 -12.420 12.726 0.722 1.00 2.02 C ATOM 1590 NZ LYS A 100 -11.801 14.019 1.112 1.00 2.63 N ATOM 0 H LYS A 100 -12.442 10.008 4.716 1.00 1.18 H new ATOM 0 HA LYS A 100 -15.308 10.160 4.855 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -15.016 12.296 3.770 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -13.841 12.123 5.058 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -12.485 12.998 3.428 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -12.260 11.293 3.092 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -13.979 11.383 1.322 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -14.302 13.065 1.690 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -11.653 11.953 0.691 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -12.829 12.810 -0.285 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -11.970 14.724 0.366 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -12.222 14.351 2.003 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -10.777 13.889 1.240 1.00 2.63 H new ATOM 1604 N SER A 101 -16.022 10.137 2.322 1.00 1.46 N ATOM 1605 CA SER A 101 -16.567 9.682 1.043 1.00 1.92 C ATOM 1606 C SER A 101 -17.011 8.217 1.146 1.00 1.73 C ATOM 1607 O SER A 101 -16.984 7.463 0.173 1.00 2.45 O ATOM 1608 CB SER A 101 -15.530 9.884 -0.072 1.00 2.55 C ATOM 1609 OG SER A 101 -16.103 9.742 -1.364 1.00 3.05 O ATOM 0 H SER A 101 -16.599 10.835 2.790 1.00 1.46 H new ATOM 0 HA SER A 101 -17.446 10.276 0.793 1.00 1.92 H new ATOM 0 HB2 SER A 101 -15.086 10.875 0.021 1.00 2.55 H new ATOM 0 HB3 SER A 101 -14.723 9.161 0.048 1.00 2.55 H new ATOM 0 HG SER A 101 -16.624 8.913 -1.401 1.00 3.05 H new ATOM 1615 N SER A 102 -17.449 7.836 2.341 1.00 1.56 N ATOM 1616 CA SER A 102 -17.973 6.499 2.587 1.00 1.80 C ATOM 1617 C SER A 102 -18.745 6.477 3.901 1.00 2.12 C ATOM 1618 O SER A 102 -19.908 6.076 3.944 1.00 2.73 O ATOM 1619 CB SER A 102 -16.842 5.466 2.595 1.00 2.23 C ATOM 1620 OG SER A 102 -15.763 5.892 3.405 1.00 2.75 O ATOM 0 H SER A 102 -17.451 8.442 3.162 1.00 1.56 H new ATOM 0 HA SER A 102 -18.656 6.235 1.780 1.00 1.80 H new ATOM 0 HB2 SER A 102 -17.220 4.512 2.962 1.00 2.23 H new ATOM 0 HB3 SER A 102 -16.491 5.299 1.576 1.00 2.23 H new ATOM 0 HG SER A 102 -15.619 5.243 4.125 1.00 2.75 H new ATOM 1626 N ILE A 103 -18.096 6.913 4.971 1.00 2.41 N ATOM 1627 CA ILE A 103 -18.760 7.069 6.250 1.00 3.09 C ATOM 1628 C ILE A 103 -18.719 8.538 6.657 1.00 3.67 C ATOM 1629 O ILE A 103 -17.793 8.938 7.388 1.00 4.17 O ATOM 1630 CB ILE A 103 -18.116 6.195 7.350 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -18.021 4.736 6.885 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -18.921 6.288 8.641 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -17.392 3.805 7.901 1.00 5.26 C ATOM 1634 OXT ILE A 103 -19.589 9.298 6.190 1.00 4.12 O ATOM 0 H ILE A 103 -17.108 7.165 4.975 1.00 2.41 H new ATOM 0 HA ILE A 103 -19.792 6.737 6.140 1.00 3.09 H new ATOM 0 HB ILE A 103 -17.109 6.565 7.541 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -19.022 4.375 6.648 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -17.441 4.696 5.963 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -18.455 5.667 9.406 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -18.946 7.324 8.980 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -19.938 5.940 8.461 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -17.361 2.793 7.497 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -16.378 4.139 8.121 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -17.983 3.813 8.817 1.00 5.26 H new TER 1646 ILE A 103