USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 133 SER OG : rot -48:sc= 0.814 USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0 X(o=0.81,f=0.81) USER MOD Set 2.1: A 4 THR OG1 : rot -77:sc= 0.65 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.582 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.447 USER MOD Set 3.2: A 100 THR OG1 : rot -71:sc= 0.496 USER MOD Set 4.1: A 7 THR OG1 : rot -119:sc= -0.573 USER MOD Set 4.2: A 121 GLN : amide:sc= 0.862 K(o=0.46,f=-2.1) USER MOD Set 4.3: A 125 ASN : amide:sc= 0.176 K(o=0.46,f=-3.1) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.146 (180deg=-0.66) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.00547 (180deg=-0.0656) USER MOD Single : A 2 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.933 USER MOD Single : A 22 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 150:sc= 0.0137 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.906 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0.934 (180deg=0.907) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 0.935 (180deg=0.903) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 109 THR OG1 : rot 131:sc= 0.422 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 116 GLN : amide:sc= 0.809 K(o=0.81,f=-6.2!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 126 ASN : amide:sc=-0.00719 K(o=-0.0072,f=-1.2) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.018 12.546 14.066 1.00 0.00 N ATOM 2 CA MET A 1 -0.787 13.236 12.802 1.00 0.00 C ATOM 3 C MET A 1 -1.169 12.350 11.621 1.00 0.00 C ATOM 4 O MET A 1 -0.922 11.144 11.632 1.00 0.00 O ATOM 5 CB MET A 1 0.674 13.665 12.693 1.00 0.00 C ATOM 6 CG MET A 1 1.075 14.784 13.646 1.00 0.00 C ATOM 7 SD MET A 1 2.819 15.223 13.509 1.00 0.00 S ATOM 8 CE MET A 1 2.893 15.786 11.810 1.00 0.00 C ATOM 0 H1 MET A 1 -1.776 13.027 14.591 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.298 11.562 13.878 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.145 12.556 14.631 1.00 0.00 H new ATOM 0 HA MET A 1 -1.417 14.125 12.778 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.309 12.799 12.881 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.870 13.988 11.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.466 15.665 13.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.861 14.478 14.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.777 16.408 11.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.947 14.925 11.143 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.000 16.367 11.580 1.00 0.00 H new ATOM 20 N ASN A 2 -1.771 12.955 10.603 1.00 0.00 N ATOM 21 CA ASN A 2 -2.072 12.249 9.362 1.00 0.00 C ATOM 22 C ASN A 2 -0.921 12.379 8.369 1.00 0.00 C ATOM 23 O ASN A 2 -0.553 13.486 7.974 1.00 0.00 O ATOM 24 CB ASN A 2 -3.364 12.743 8.740 1.00 0.00 C ATOM 25 CG ASN A 2 -4.583 12.469 9.576 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.947 11.312 9.819 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.261 13.524 9.950 1.00 0.00 N ATOM 0 H ASN A 2 -2.060 13.933 10.612 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.200 11.195 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.286 13.817 8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.490 12.272 7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.133 13.413 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.917 14.457 9.724 1.00 0.00 H new ATOM 34 N ILE A 3 -0.359 11.244 7.970 1.00 0.00 N ATOM 35 CA ILE A 3 0.751 11.233 7.025 1.00 0.00 C ATOM 36 C ILE A 3 0.296 10.759 5.648 1.00 0.00 C ATOM 37 O ILE A 3 -0.318 9.700 5.514 1.00 0.00 O ATOM 38 CB ILE A 3 1.901 10.334 7.514 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.387 10.792 8.891 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.045 10.341 6.513 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.265 9.783 9.596 1.00 0.00 C ATOM 0 H ILE A 3 -0.654 10.320 8.286 1.00 0.00 H new ATOM 0 HA ILE A 3 1.112 12.259 6.952 1.00 0.00 H new ATOM 0 HB ILE A 3 1.529 9.313 7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.940 11.725 8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.522 11.007 9.518 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.849 9.700 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.690 9.969 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.418 11.358 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.569 10.179 10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.710 8.856 9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.150 9.585 8.991 1.00 0.00 H new ATOM 53 N THR A 4 0.602 11.551 4.625 1.00 0.00 N ATOM 54 CA THR A 4 0.216 11.219 3.260 1.00 0.00 C ATOM 55 C THR A 4 1.441 11.030 2.372 1.00 0.00 C ATOM 56 O THR A 4 2.377 11.829 2.409 1.00 0.00 O ATOM 57 CB THR A 4 -0.686 12.307 2.648 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.890 12.422 3.420 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.042 11.959 1.211 1.00 0.00 C ATOM 0 H THR A 4 1.116 12.427 4.717 1.00 0.00 H new ATOM 0 HA THR A 4 -0.341 10.283 3.309 1.00 0.00 H new ATOM 0 HB THR A 4 -0.146 13.254 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.488 11.676 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.680 12.739 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.130 11.882 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.572 11.007 1.188 1.00 0.00 H new ATOM 67 N VAL A 5 1.429 9.966 1.575 1.00 0.00 N ATOM 68 CA VAL A 5 2.471 9.747 0.578 1.00 0.00 C ATOM 69 C VAL A 5 1.869 9.446 -0.790 1.00 0.00 C ATOM 70 O VAL A 5 0.761 8.917 -0.887 1.00 0.00 O ATOM 71 CB VAL A 5 3.406 8.590 0.982 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.161 8.938 2.257 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.614 7.305 1.168 1.00 0.00 C ATOM 0 H VAL A 5 0.710 9.243 1.600 1.00 0.00 H new ATOM 0 HA VAL A 5 3.051 10.668 0.522 1.00 0.00 H new ATOM 0 HB VAL A 5 4.130 8.436 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.817 8.111 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.758 9.835 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.450 9.117 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.290 6.499 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.869 7.447 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.115 7.047 0.234 1.00 0.00 H new ATOM 83 N GLU A 6 2.604 9.786 -1.843 1.00 0.00 N ATOM 84 CA GLU A 6 2.094 9.660 -3.204 1.00 0.00 C ATOM 85 C GLU A 6 3.171 9.120 -4.140 1.00 0.00 C ATOM 86 O GLU A 6 4.347 9.467 -4.019 1.00 0.00 O ATOM 87 CB GLU A 6 1.579 11.008 -3.711 1.00 0.00 C ATOM 88 CG GLU A 6 0.370 11.544 -2.957 1.00 0.00 C ATOM 89 CD GLU A 6 -0.092 12.856 -3.527 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.682 13.783 -3.537 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.178 12.902 -4.054 1.00 0.00 O ATOM 0 H GLU A 6 3.554 10.151 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 6 1.265 8.952 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.385 11.739 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.320 10.911 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.442 10.818 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.622 11.671 -1.904 1.00 0.00 H new ATOM 98 N THR A 7 2.762 8.269 -5.075 1.00 0.00 N ATOM 99 CA THR A 7 3.638 7.845 -6.160 1.00 0.00 C ATOM 100 C THR A 7 2.860 7.674 -7.459 1.00 0.00 C ATOM 101 O THR A 7 1.820 7.015 -7.491 1.00 0.00 O ATOM 102 CB THR A 7 4.356 6.525 -5.825 1.00 0.00 C ATOM 103 OG1 THR A 7 5.172 6.704 -4.659 1.00 0.00 O ATOM 104 CG2 THR A 7 5.230 6.082 -6.988 1.00 0.00 C ATOM 0 H THR A 7 1.828 7.859 -5.103 1.00 0.00 H new ATOM 0 HA THR A 7 4.384 8.630 -6.287 1.00 0.00 H new ATOM 0 HB THR A 7 3.604 5.758 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.109 6.530 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.729 5.147 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.611 5.933 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.977 6.848 -7.194 1.00 0.00 H new ATOM 112 N THR A 8 3.370 8.272 -8.532 1.00 0.00 N ATOM 113 CA THR A 8 2.695 8.228 -9.824 1.00 0.00 C ATOM 114 C THR A 8 3.326 7.181 -10.737 1.00 0.00 C ATOM 115 O THR A 8 4.525 7.221 -11.011 1.00 0.00 O ATOM 116 CB THR A 8 2.733 9.598 -10.527 1.00 0.00 C ATOM 117 OG1 THR A 8 2.031 10.564 -9.732 1.00 0.00 O ATOM 118 CG2 THR A 8 2.087 9.511 -11.900 1.00 0.00 C ATOM 0 H THR A 8 4.247 8.792 -8.532 1.00 0.00 H new ATOM 0 HA THR A 8 1.657 7.959 -9.629 1.00 0.00 H new ATOM 0 HB THR A 8 3.773 9.901 -10.646 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.057 11.436 -10.179 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.123 10.488 -12.382 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.625 8.786 -12.510 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.049 9.197 -11.794 1.00 0.00 H new ATOM 126 N VAL A 9 2.506 6.245 -11.207 1.00 0.00 N ATOM 127 CA VAL A 9 2.997 5.144 -12.027 1.00 0.00 C ATOM 128 C VAL A 9 2.393 5.188 -13.425 1.00 0.00 C ATOM 129 O VAL A 9 1.190 5.393 -13.587 1.00 0.00 O ATOM 130 CB VAL A 9 2.683 3.779 -11.386 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.211 2.648 -12.256 1.00 0.00 C ATOM 132 CG2 VAL A 9 3.280 3.697 -9.989 1.00 0.00 C ATOM 0 H VAL A 9 1.501 6.228 -11.034 1.00 0.00 H new ATOM 0 HA VAL A 9 4.078 5.262 -12.097 1.00 0.00 H new ATOM 0 HB VAL A 9 1.601 3.677 -11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.980 1.691 -11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.741 2.694 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.291 2.747 -12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.049 2.726 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.361 3.820 -10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.858 4.486 -9.366 1.00 0.00 H new ATOM 142 N ALA A 10 3.235 4.995 -14.435 1.00 0.00 N ATOM 143 CA ALA A 10 2.782 5.001 -15.821 1.00 0.00 C ATOM 144 C ALA A 10 2.186 3.654 -16.210 1.00 0.00 C ATOM 145 O ALA A 10 2.847 2.830 -16.844 1.00 0.00 O ATOM 146 CB ALA A 10 3.932 5.361 -16.750 1.00 0.00 C ATOM 0 H ALA A 10 4.235 4.832 -14.319 1.00 0.00 H new ATOM 0 HA ALA A 10 2.001 5.755 -15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.580 5.362 -17.782 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.310 6.351 -16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.732 4.628 -16.640 1.00 0.00 H new ATOM 152 N ALA A 11 0.932 3.433 -15.829 1.00 0.00 N ATOM 153 CA ALA A 11 0.254 2.176 -16.119 1.00 0.00 C ATOM 154 C ALA A 11 -1.253 2.305 -15.916 1.00 0.00 C ATOM 155 O ALA A 11 -1.731 3.156 -15.167 1.00 0.00 O ATOM 156 CB ALA A 11 0.813 1.061 -15.248 1.00 0.00 C ATOM 0 H ALA A 11 0.365 4.109 -15.318 1.00 0.00 H new ATOM 0 HA ALA A 11 0.433 1.928 -17.165 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.297 0.128 -15.476 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.878 0.944 -15.446 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.664 1.311 -14.197 1.00 0.00 H new ATOM 162 N PRO A 12 -2.018 1.441 -16.599 1.00 0.00 N ATOM 163 CA PRO A 12 -3.478 1.412 -16.479 1.00 0.00 C ATOM 164 C PRO A 12 -3.940 1.281 -15.031 1.00 0.00 C ATOM 165 O PRO A 12 -3.361 0.526 -14.251 1.00 0.00 O ATOM 166 CB PRO A 12 -3.893 0.201 -17.320 1.00 0.00 C ATOM 167 CG PRO A 12 -2.797 0.048 -18.318 1.00 0.00 C ATOM 168 CD PRO A 12 -1.536 0.428 -17.587 1.00 0.00 C ATOM 0 HA PRO A 12 -3.936 2.339 -16.823 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.997 -0.693 -16.705 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.854 0.367 -17.807 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.743 -0.976 -18.689 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.960 0.692 -19.182 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.079 -0.431 -17.095 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.788 0.845 -18.261 1.00 0.00 H new ATOM 176 N VAL A 13 -4.986 2.021 -14.680 1.00 0.00 N ATOM 177 CA VAL A 13 -5.458 2.071 -13.301 1.00 0.00 C ATOM 178 C VAL A 13 -5.916 0.697 -12.827 1.00 0.00 C ATOM 179 O VAL A 13 -5.805 0.366 -11.648 1.00 0.00 O ATOM 180 CB VAL A 13 -6.615 3.074 -13.137 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.865 2.566 -13.841 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.900 3.321 -11.663 1.00 0.00 C ATOM 0 H VAL A 13 -5.523 2.594 -15.331 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.617 2.400 -12.691 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.320 4.018 -13.596 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.672 3.287 -13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.657 2.436 -14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.162 1.610 -13.410 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.720 4.032 -11.565 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.175 2.382 -11.183 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.009 3.726 -11.183 1.00 0.00 H new ATOM 192 N GLY A 14 -6.432 -0.102 -13.757 1.00 0.00 N ATOM 193 CA GLY A 14 -6.855 -1.450 -13.425 1.00 0.00 C ATOM 194 C GLY A 14 -5.690 -2.355 -13.079 1.00 0.00 C ATOM 195 O GLY A 14 -5.764 -3.143 -12.134 1.00 0.00 O ATOM 0 H GLY A 14 -6.564 0.160 -14.734 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.545 -1.414 -12.582 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.402 -1.873 -14.267 1.00 0.00 H new ATOM 199 N LYS A 15 -4.610 -2.245 -13.845 1.00 0.00 N ATOM 200 CA LYS A 15 -3.458 -3.123 -13.675 1.00 0.00 C ATOM 201 C LYS A 15 -2.733 -2.821 -12.368 1.00 0.00 C ATOM 202 O LYS A 15 -2.338 -3.733 -11.640 1.00 0.00 O ATOM 203 CB LYS A 15 -2.497 -2.984 -14.856 1.00 0.00 C ATOM 204 CG LYS A 15 -3.014 -3.577 -16.161 1.00 0.00 C ATOM 205 CD LYS A 15 -1.965 -3.497 -17.259 1.00 0.00 C ATOM 206 CE LYS A 15 -2.500 -4.037 -18.577 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.481 -3.969 -19.661 1.00 0.00 N ATOM 0 H LYS A 15 -4.508 -1.556 -14.590 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.820 -4.150 -13.638 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.282 -1.927 -15.011 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.554 -3.467 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.299 -4.617 -16.002 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.912 -3.045 -16.474 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.650 -2.462 -17.389 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.082 -4.064 -16.963 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.819 -5.071 -18.443 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.381 -3.467 -18.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.885 -4.346 -20.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.195 -2.980 -19.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.650 -4.533 -19.392 1.00 0.00 H new ATOM 221 N VAL A 16 -2.562 -1.537 -12.073 1.00 0.00 N ATOM 222 CA VAL A 16 -1.843 -1.115 -10.877 1.00 0.00 C ATOM 223 C VAL A 16 -2.659 -1.393 -9.619 1.00 0.00 C ATOM 224 O VAL A 16 -2.106 -1.718 -8.567 1.00 0.00 O ATOM 225 CB VAL A 16 -1.490 0.383 -10.929 1.00 0.00 C ATOM 226 CG1 VAL A 16 -0.619 0.683 -12.140 1.00 0.00 C ATOM 227 CG2 VAL A 16 -2.754 1.228 -10.962 1.00 0.00 C ATOM 0 H VAL A 16 -2.912 -0.770 -12.647 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.920 -1.694 -10.843 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.930 0.636 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.379 1.746 -12.161 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.302 0.104 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.156 0.414 -13.050 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.485 2.284 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.340 0.972 -11.845 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.344 1.035 -10.066 1.00 0.00 H new ATOM 237 N TRP A 17 -3.976 -1.266 -9.734 1.00 0.00 N ATOM 238 CA TRP A 17 -4.873 -1.567 -8.625 1.00 0.00 C ATOM 239 C TRP A 17 -4.813 -3.048 -8.264 1.00 0.00 C ATOM 240 O TRP A 17 -4.717 -3.406 -7.091 1.00 0.00 O ATOM 241 CB TRP A 17 -6.308 -1.167 -8.973 1.00 0.00 C ATOM 242 CG TRP A 17 -7.269 -1.336 -7.836 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.529 -0.436 -6.847 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.100 -2.473 -7.573 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.467 -0.941 -5.981 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.835 -2.192 -6.407 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.293 -3.705 -8.211 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.742 -3.090 -5.866 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.203 -4.604 -7.669 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.908 -4.305 -6.530 1.00 0.00 C ATOM 0 H TRP A 17 -4.446 -0.956 -10.585 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.547 -0.989 -7.761 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.318 -0.126 -9.295 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.649 -1.765 -9.818 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.064 0.535 -6.757 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.831 -0.464 -5.156 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.744 -3.952 -9.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.296 -2.859 -4.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.359 -5.557 -8.153 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.608 -5.028 -6.139 1.00 0.00 H new ATOM 261 N ARG A 18 -4.870 -3.902 -9.280 1.00 0.00 N ATOM 262 CA ARG A 18 -4.860 -5.345 -9.067 1.00 0.00 C ATOM 263 C ARG A 18 -3.494 -5.810 -8.570 1.00 0.00 C ATOM 264 O ARG A 18 -3.401 -6.653 -7.678 1.00 0.00 O ATOM 265 CB ARG A 18 -5.297 -6.114 -10.305 1.00 0.00 C ATOM 266 CG ARG A 18 -6.780 -6.026 -10.623 1.00 0.00 C ATOM 267 CD ARG A 18 -7.196 -6.793 -11.824 1.00 0.00 C ATOM 268 NE ARG A 18 -8.626 -6.768 -12.090 1.00 0.00 N ATOM 269 CZ ARG A 18 -9.224 -7.401 -13.120 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.519 -8.077 -14.000 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.537 -7.304 -13.234 1.00 0.00 N ATOM 0 H ARG A 18 -4.924 -3.620 -10.259 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.595 -5.564 -8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.734 -5.744 -11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.030 -7.163 -10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.345 -6.386 -9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.047 -4.979 -10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.671 -6.396 -12.693 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.879 -7.829 -11.706 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.218 -6.235 -11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.504 -8.128 -13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.987 -8.550 -14.773 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.069 -6.762 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.018 -7.771 -14.002 1.00 0.00 H new ATOM 285 N ALA A 19 -2.437 -5.256 -9.153 1.00 0.00 N ATOM 286 CA ALA A 19 -1.078 -5.651 -8.806 1.00 0.00 C ATOM 287 C ALA A 19 -0.709 -5.176 -7.403 1.00 0.00 C ATOM 288 O ALA A 19 0.047 -5.837 -6.692 1.00 0.00 O ATOM 289 CB ALA A 19 -0.092 -5.101 -9.826 1.00 0.00 C ATOM 0 H ALA A 19 -2.496 -4.532 -9.869 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.029 -6.740 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.919 -5.404 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.335 -5.492 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.153 -4.013 -9.841 1.00 0.00 H new ATOM 295 N TYR A 20 -1.250 -4.026 -7.013 1.00 0.00 N ATOM 296 CA TYR A 20 -0.972 -3.460 -5.698 1.00 0.00 C ATOM 297 C TYR A 20 -1.642 -4.279 -4.599 1.00 0.00 C ATOM 298 O TYR A 20 -1.194 -4.286 -3.453 1.00 0.00 O ATOM 299 CB TYR A 20 -1.441 -2.004 -5.633 1.00 0.00 C ATOM 300 CG TYR A 20 -1.002 -1.275 -4.383 1.00 0.00 C ATOM 301 CD1 TYR A 20 0.298 -0.808 -4.250 1.00 0.00 C ATOM 302 CD2 TYR A 20 -1.888 -1.053 -3.339 1.00 0.00 C ATOM 303 CE1 TYR A 20 0.705 -0.142 -3.110 1.00 0.00 C ATOM 304 CE2 TYR A 20 -1.493 -0.387 -2.195 1.00 0.00 C ATOM 305 CZ TYR A 20 -0.195 0.068 -2.085 1.00 0.00 C ATOM 306 OH TYR A 20 0.204 0.732 -0.948 1.00 0.00 O ATOM 0 H TYR A 20 -1.882 -3.469 -7.588 1.00 0.00 H new ATOM 0 HA TYR A 20 0.106 -3.490 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.062 -1.471 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.529 -1.980 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.004 -0.968 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.905 -1.407 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.721 0.212 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.196 -0.223 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.550 0.797 -0.325 1.00 0.00 H new ATOM 316 N THR A 21 -2.718 -4.971 -4.959 1.00 0.00 N ATOM 317 CA THR A 21 -3.553 -5.651 -3.977 1.00 0.00 C ATOM 318 C THR A 21 -3.473 -7.164 -4.141 1.00 0.00 C ATOM 319 O THR A 21 -4.303 -7.903 -3.609 1.00 0.00 O ATOM 320 CB THR A 21 -5.025 -5.210 -4.084 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.529 -5.531 -5.387 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.152 -3.713 -3.851 1.00 0.00 C ATOM 0 H THR A 21 -3.032 -5.075 -5.924 1.00 0.00 H new ATOM 0 HA THR A 21 -3.172 -5.374 -2.994 1.00 0.00 H new ATOM 0 HB THR A 21 -5.602 -5.736 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.277 -4.825 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.199 -3.420 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.781 -3.467 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.567 -3.177 -4.599 1.00 0.00 H new ATOM 330 N THR A 22 -2.466 -7.621 -4.878 1.00 0.00 N ATOM 331 CA THR A 22 -2.115 -9.036 -4.899 1.00 0.00 C ATOM 332 C THR A 22 -0.892 -9.312 -4.033 1.00 0.00 C ATOM 333 O THR A 22 0.161 -8.695 -4.190 1.00 0.00 O ATOM 334 CB THR A 22 -1.841 -9.530 -6.332 1.00 0.00 C ATOM 335 OG1 THR A 22 -3.021 -9.372 -7.129 1.00 0.00 O ATOM 336 CG2 THR A 22 -1.433 -10.995 -6.322 1.00 0.00 C ATOM 0 H THR A 22 -1.879 -7.032 -5.468 1.00 0.00 H new ATOM 0 HA THR A 22 -2.971 -9.578 -4.497 1.00 0.00 H new ATOM 0 HB THR A 22 -1.028 -8.940 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.151 -8.423 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.243 -11.327 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.528 -11.117 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.235 -11.593 -5.889 1.00 0.00 H new ATOM 344 N PRO A 23 -1.031 -10.263 -3.097 1.00 0.00 N ATOM 345 CA PRO A 23 -0.008 -10.531 -2.082 1.00 0.00 C ATOM 346 C PRO A 23 1.263 -11.123 -2.683 1.00 0.00 C ATOM 347 O PRO A 23 2.371 -10.805 -2.251 1.00 0.00 O ATOM 348 CB PRO A 23 -0.683 -11.544 -1.155 1.00 0.00 C ATOM 349 CG PRO A 23 -1.805 -12.104 -1.960 1.00 0.00 C ATOM 350 CD PRO A 23 -2.279 -10.984 -2.845 1.00 0.00 C ATOM 0 HA PRO A 23 0.313 -9.620 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.013 -12.325 -0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.048 -11.067 -0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.473 -12.956 -2.553 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.609 -12.459 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.733 -11.352 -3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.022 -10.358 -2.351 1.00 0.00 H new ATOM 358 N GLU A 24 1.095 -11.985 -3.681 1.00 0.00 N ATOM 359 CA GLU A 24 2.229 -12.549 -4.401 1.00 0.00 C ATOM 360 C GLU A 24 2.983 -11.464 -5.165 1.00 0.00 C ATOM 361 O GLU A 24 4.209 -11.506 -5.277 1.00 0.00 O ATOM 362 CB GLU A 24 1.764 -13.646 -5.362 1.00 0.00 C ATOM 363 CG GLU A 24 1.320 -14.933 -4.679 1.00 0.00 C ATOM 364 CD GLU A 24 2.434 -15.530 -3.864 1.00 0.00 C ATOM 365 OE1 GLU A 24 3.504 -15.709 -4.396 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.251 -15.702 -2.683 1.00 0.00 O ATOM 0 H GLU A 24 0.184 -12.307 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 24 2.907 -12.989 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.937 -13.262 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.576 -13.876 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.464 -14.729 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.990 -15.651 -5.430 1.00 0.00 H new ATOM 373 N ASP A 25 2.242 -10.495 -5.689 1.00 0.00 N ATOM 374 CA ASP A 25 2.845 -9.352 -6.364 1.00 0.00 C ATOM 375 C ASP A 25 3.518 -8.420 -5.361 1.00 0.00 C ATOM 376 O ASP A 25 4.589 -7.876 -5.627 1.00 0.00 O ATOM 377 CB ASP A 25 1.792 -8.587 -7.170 1.00 0.00 C ATOM 378 CG ASP A 25 1.325 -9.301 -8.432 1.00 0.00 C ATOM 379 OD1 ASP A 25 1.954 -10.258 -8.816 1.00 0.00 O ATOM 380 OD2 ASP A 25 0.262 -8.984 -8.910 1.00 0.00 O ATOM 0 H ASP A 25 1.223 -10.478 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 25 3.606 -9.728 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.928 -8.401 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.200 -7.615 -7.447 1.00 0.00 H new ATOM 385 N ILE A 26 2.882 -8.243 -4.208 1.00 0.00 N ATOM 386 CA ILE A 26 3.435 -7.403 -3.152 1.00 0.00 C ATOM 387 C ILE A 26 4.820 -7.887 -2.734 1.00 0.00 C ATOM 388 O ILE A 26 5.696 -7.088 -2.403 1.00 0.00 O ATOM 389 CB ILE A 26 2.517 -7.370 -1.917 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.258 -6.550 -2.209 1.00 0.00 C ATOM 391 CG2 ILE A 26 3.260 -6.804 -0.716 1.00 0.00 C ATOM 392 CD1 ILE A 26 0.180 -6.693 -1.159 1.00 0.00 C ATOM 0 H ILE A 26 1.984 -8.670 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 26 3.513 -6.395 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 26 2.215 -8.391 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.532 -5.498 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.854 -6.853 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.596 -6.788 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.126 -7.428 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.591 -5.790 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.680 -6.083 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.123 -7.738 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.565 -6.362 -0.195 1.00 0.00 H new ATOM 604 N ALA A 40 5.928 -11.880 5.452 1.00 0.00 N ATOM 605 CA ALA A 40 4.705 -12.493 4.951 1.00 0.00 C ATOM 606 C ALA A 40 3.711 -11.436 4.487 1.00 0.00 C ATOM 607 O ALA A 40 3.628 -10.352 5.064 1.00 0.00 O ATOM 608 CB ALA A 40 4.078 -13.376 6.022 1.00 0.00 C ATOM 0 HA ALA A 40 4.965 -13.112 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.165 -13.827 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.780 -14.161 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.840 -12.772 6.898 1.00 0.00 H new ATOM 614 N ALA A 41 2.959 -11.757 3.439 1.00 0.00 N ATOM 615 CA ALA A 41 1.892 -10.881 2.967 1.00 0.00 C ATOM 616 C ALA A 41 0.700 -11.690 2.465 1.00 0.00 C ATOM 617 O ALA A 41 0.852 -12.590 1.638 1.00 0.00 O ATOM 618 CB ALA A 41 2.408 -9.963 1.871 1.00 0.00 C ATOM 0 H ALA A 41 3.068 -12.616 2.901 1.00 0.00 H new ATOM 0 HA ALA A 41 1.557 -10.272 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.601 -9.315 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.222 -9.353 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.771 -10.562 1.036 1.00 0.00 H new ATOM 624 N THR A 42 -0.485 -11.365 2.969 1.00 0.00 N ATOM 625 CA THR A 42 -1.713 -11.999 2.507 1.00 0.00 C ATOM 626 C THR A 42 -2.822 -10.972 2.311 1.00 0.00 C ATOM 627 O THR A 42 -3.052 -10.119 3.168 1.00 0.00 O ATOM 628 CB THR A 42 -2.195 -13.080 3.493 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.173 -14.074 3.652 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.465 -13.741 2.979 1.00 0.00 C ATOM 0 H THR A 42 -0.621 -10.665 3.699 1.00 0.00 H new ATOM 0 HA THR A 42 -1.485 -12.469 1.550 1.00 0.00 H new ATOM 0 HB THR A 42 -2.406 -12.609 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.479 -14.761 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.792 -14.502 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.247 -12.990 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.268 -14.206 2.013 1.00 0.00 H new ATOM 638 N VAL A 43 -3.510 -11.061 1.177 1.00 0.00 N ATOM 639 CA VAL A 43 -4.599 -10.143 0.869 1.00 0.00 C ATOM 640 C VAL A 43 -5.832 -10.895 0.378 1.00 0.00 C ATOM 641 O VAL A 43 -5.757 -11.675 -0.570 1.00 0.00 O ATOM 642 CB VAL A 43 -4.184 -9.109 -0.194 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.319 -8.131 -0.459 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.933 -8.363 0.248 1.00 0.00 C ATOM 0 H VAL A 43 -3.332 -11.760 0.456 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.840 -9.621 1.795 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.962 -9.639 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.008 -7.408 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.192 -8.676 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.571 -7.608 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.654 -7.636 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.131 -7.846 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.117 -9.072 0.389 1.00 0.00 H new ATOM 654 N ASP A 44 -6.962 -10.655 1.033 1.00 0.00 N ATOM 655 CA ASP A 44 -8.258 -11.042 0.485 1.00 0.00 C ATOM 656 C ASP A 44 -8.902 -9.880 -0.264 1.00 0.00 C ATOM 657 O ASP A 44 -9.361 -8.912 0.346 1.00 0.00 O ATOM 658 CB ASP A 44 -9.188 -11.534 1.598 1.00 0.00 C ATOM 659 CG ASP A 44 -10.547 -12.016 1.114 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.751 -12.062 -0.077 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.313 -12.483 1.923 1.00 0.00 O ATOM 0 H ASP A 44 -7.008 -10.195 1.942 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.095 -11.857 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.697 -12.347 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.337 -10.726 2.314 1.00 0.00 H new ATOM 666 N LEU A 45 -8.929 -9.980 -1.588 1.00 0.00 N ATOM 667 CA LEU A 45 -9.347 -8.864 -2.431 1.00 0.00 C ATOM 668 C LEU A 45 -10.865 -8.809 -2.550 1.00 0.00 C ATOM 669 O LEU A 45 -11.450 -9.407 -3.453 1.00 0.00 O ATOM 670 CB LEU A 45 -8.706 -8.977 -3.820 1.00 0.00 C ATOM 671 CG LEU A 45 -8.919 -7.768 -4.739 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.372 -6.509 -4.081 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.238 -8.018 -6.076 1.00 0.00 C ATOM 0 H LEU A 45 -8.667 -10.821 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.010 -7.939 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.635 -9.134 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.103 -9.863 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.986 -7.626 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.528 -5.656 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.890 -6.337 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.305 -6.631 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.390 -7.158 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.170 -8.169 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.665 -8.906 -6.541 1.00 0.00 H new ATOM 685 N ARG A 46 -11.500 -8.087 -1.632 1.00 0.00 N ATOM 686 CA ARG A 46 -12.933 -7.834 -1.713 1.00 0.00 C ATOM 687 C ARG A 46 -13.373 -6.837 -0.646 1.00 0.00 C ATOM 688 O ARG A 46 -12.716 -6.688 0.384 1.00 0.00 O ATOM 689 CB ARG A 46 -13.747 -9.119 -1.650 1.00 0.00 C ATOM 690 CG ARG A 46 -13.481 -9.985 -0.430 1.00 0.00 C ATOM 691 CD ARG A 46 -14.238 -11.262 -0.408 1.00 0.00 C ATOM 692 NE ARG A 46 -13.874 -12.162 0.675 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.572 -13.259 1.025 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.690 -13.577 0.409 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.117 -13.997 2.024 1.00 0.00 N ATOM 0 H ARG A 46 -11.043 -7.667 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.129 -7.388 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.806 -8.863 -1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.543 -9.706 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.415 -10.208 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.727 -9.415 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.302 -11.037 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.086 -11.776 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.031 -11.947 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.041 -12.989 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.206 -14.412 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.259 -13.729 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.624 -14.834 2.312 1.00 0.00 H new ATOM 709 N GLU A 47 -14.486 -6.156 -0.901 1.00 0.00 N ATOM 710 CA GLU A 47 -15.053 -5.230 0.072 1.00 0.00 C ATOM 711 C GLU A 47 -15.494 -5.969 1.332 1.00 0.00 C ATOM 712 O GLU A 47 -16.304 -6.893 1.273 1.00 0.00 O ATOM 713 CB GLU A 47 -16.235 -4.471 -0.536 1.00 0.00 C ATOM 714 CG GLU A 47 -16.760 -3.332 0.327 1.00 0.00 C ATOM 715 CD GLU A 47 -17.742 -2.482 -0.429 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.355 -1.886 -1.406 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.905 -2.516 -0.100 1.00 0.00 O ATOM 0 H GLU A 47 -15.012 -6.228 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.280 -4.513 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.934 -4.069 -1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.047 -5.175 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.238 -3.739 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.927 -2.716 0.665 1.00 0.00 H new ATOM 724 N GLY A 48 -14.953 -5.554 2.475 1.00 0.00 N ATOM 725 CA GLY A 48 -15.156 -6.295 3.704 1.00 0.00 C ATOM 726 C GLY A 48 -14.067 -7.322 3.949 1.00 0.00 C ATOM 727 O GLY A 48 -13.997 -7.920 5.022 1.00 0.00 O ATOM 0 H GLY A 48 -14.378 -4.717 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.190 -5.599 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.123 -6.797 3.666 1.00 0.00 H new ATOM 731 N GLY A 49 -13.215 -7.528 2.949 1.00 0.00 N ATOM 732 CA GLY A 49 -12.177 -8.535 3.055 1.00 0.00 C ATOM 733 C GLY A 49 -10.946 -8.026 3.779 1.00 0.00 C ATOM 734 O GLY A 49 -10.674 -6.826 3.786 1.00 0.00 O ATOM 0 H GLY A 49 -13.226 -7.015 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.571 -9.404 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.895 -8.868 2.056 1.00 0.00 H new ATOM 738 N ALA A 50 -10.201 -8.940 4.393 1.00 0.00 N ATOM 739 CA ALA A 50 -9.098 -8.565 5.267 1.00 0.00 C ATOM 740 C ALA A 50 -7.753 -8.840 4.604 1.00 0.00 C ATOM 741 O ALA A 50 -7.639 -9.716 3.749 1.00 0.00 O ATOM 742 CB ALA A 50 -9.199 -9.308 6.592 1.00 0.00 C ATOM 0 H ALA A 50 -10.342 -9.946 4.300 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.166 -7.494 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.368 -9.018 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.141 -9.056 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.160 -10.382 6.411 1.00 0.00 H new ATOM 748 N PHE A 51 -6.736 -8.084 5.005 1.00 0.00 N ATOM 749 CA PHE A 51 -5.368 -8.353 4.577 1.00 0.00 C ATOM 750 C PHE A 51 -4.380 -8.077 5.707 1.00 0.00 C ATOM 751 O PHE A 51 -4.682 -7.334 6.641 1.00 0.00 O ATOM 752 CB PHE A 51 -5.016 -7.512 3.349 1.00 0.00 C ATOM 753 CG PHE A 51 -4.756 -6.066 3.660 1.00 0.00 C ATOM 754 CD1 PHE A 51 -5.797 -5.152 3.700 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.468 -5.616 3.912 1.00 0.00 C ATOM 756 CE1 PHE A 51 -5.560 -3.821 3.984 1.00 0.00 C ATOM 757 CE2 PHE A 51 -3.228 -4.286 4.198 1.00 0.00 C ATOM 758 CZ PHE A 51 -4.273 -3.388 4.233 1.00 0.00 C ATOM 0 H PHE A 51 -6.833 -7.280 5.626 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.298 -9.408 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.133 -7.936 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.831 -7.578 2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.806 -5.484 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.644 -6.313 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.381 -3.120 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.221 -3.950 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.085 -2.348 4.455 1.00 0.00 H new ATOM 768 N SER A 52 -3.200 -8.682 5.614 1.00 0.00 N ATOM 769 CA SER A 52 -2.143 -8.449 6.593 1.00 0.00 C ATOM 770 C SER A 52 -0.767 -8.624 5.957 1.00 0.00 C ATOM 771 O SER A 52 -0.505 -9.618 5.282 1.00 0.00 O ATOM 772 CB SER A 52 -2.307 -9.388 7.772 1.00 0.00 C ATOM 773 OG SER A 52 -1.285 -9.227 8.718 1.00 0.00 O ATOM 0 H SER A 52 -2.952 -9.336 4.872 1.00 0.00 H new ATOM 0 HA SER A 52 -2.223 -7.422 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.272 -9.209 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.313 -10.418 7.417 1.00 0.00 H new ATOM 0 HG SER A 52 -1.427 -9.848 9.462 1.00 0.00 H new ATOM 779 N SER A 53 0.108 -7.649 6.180 1.00 0.00 N ATOM 780 CA SER A 53 1.480 -7.728 5.695 1.00 0.00 C ATOM 781 C SER A 53 2.464 -7.274 6.769 1.00 0.00 C ATOM 782 O SER A 53 2.334 -6.181 7.323 1.00 0.00 O ATOM 783 CB SER A 53 1.641 -6.892 4.440 1.00 0.00 C ATOM 784 OG SER A 53 0.868 -7.382 3.379 1.00 0.00 O ATOM 0 H SER A 53 -0.109 -6.795 6.694 1.00 0.00 H new ATOM 0 HA SER A 53 1.699 -8.768 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.354 -5.862 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.691 -6.877 4.147 1.00 0.00 H new ATOM 0 HG SER A 53 0.998 -6.815 2.590 1.00 0.00 H new ATOM 790 N ARG A 54 3.448 -8.118 7.059 1.00 0.00 N ATOM 791 CA ARG A 54 4.422 -7.827 8.104 1.00 0.00 C ATOM 792 C ARG A 54 5.815 -8.296 7.694 1.00 0.00 C ATOM 793 O ARG A 54 5.984 -9.406 7.192 1.00 0.00 O ATOM 794 CB ARG A 54 4.011 -8.405 9.451 1.00 0.00 C ATOM 795 CG ARG A 54 5.008 -8.177 10.576 1.00 0.00 C ATOM 796 CD ARG A 54 4.572 -8.701 11.895 1.00 0.00 C ATOM 797 NE ARG A 54 4.261 -10.120 11.907 1.00 0.00 N ATOM 798 CZ ARG A 54 3.015 -10.630 11.964 1.00 0.00 C ATOM 799 NH1 ARG A 54 1.965 -9.844 12.055 1.00 0.00 N ATOM 800 NH2 ARG A 54 2.876 -11.944 11.953 1.00 0.00 N ATOM 0 H ARG A 54 3.592 -9.009 6.585 1.00 0.00 H new ATOM 0 HA ARG A 54 4.453 -6.744 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.054 -7.971 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.853 -9.477 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.955 -8.646 10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.196 -7.107 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.357 -8.508 12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.691 -8.146 12.219 1.00 0.00 H new ATOM 0 HE ARG A 54 5.041 -10.777 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.087 -8.832 12.083 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.029 -10.247 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.700 -12.544 11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.945 -12.359 11.995 1.00 0.00 H new ATOM 964 N PHE A 66 1.621 -3.753 8.872 1.00 0.00 N ATOM 965 CA PHE A 66 0.387 -3.043 8.554 1.00 0.00 C ATOM 966 C PHE A 66 -0.690 -4.011 8.073 1.00 0.00 C ATOM 967 O PHE A 66 -0.421 -4.911 7.279 1.00 0.00 O ATOM 968 CB PHE A 66 0.647 -1.971 7.494 1.00 0.00 C ATOM 969 CG PHE A 66 1.085 -2.522 6.168 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.425 -2.774 5.914 1.00 0.00 C ATOM 971 CD2 PHE A 66 0.159 -2.790 5.171 1.00 0.00 C ATOM 972 CE1 PHE A 66 2.830 -3.281 4.694 1.00 0.00 C ATOM 973 CE2 PHE A 66 0.561 -3.298 3.951 1.00 0.00 C ATOM 974 CZ PHE A 66 1.896 -3.543 3.712 1.00 0.00 C ATOM 0 HA PHE A 66 0.030 -2.559 9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.262 -1.387 7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.411 -1.287 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.160 -2.572 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.889 -2.599 5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.877 -3.472 4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.171 -3.503 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.211 -3.939 2.758 1.00 0.00 H new ATOM 984 N ALA A 67 -1.910 -3.819 8.563 1.00 0.00 N ATOM 985 CA ALA A 67 -3.009 -4.726 8.254 1.00 0.00 C ATOM 986 C ALA A 67 -4.355 -4.024 8.391 1.00 0.00 C ATOM 987 O ALA A 67 -4.467 -3.000 9.064 1.00 0.00 O ATOM 988 CB ALA A 67 -2.955 -5.947 9.158 1.00 0.00 C ATOM 0 H ALA A 67 -2.163 -3.044 9.176 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.901 -5.049 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.781 -6.616 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.010 -6.469 9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.035 -5.633 10.199 1.00 0.00 H new ATOM 994 N GLY A 68 -5.376 -4.579 7.745 1.00 0.00 N ATOM 995 CA GLY A 68 -6.702 -3.994 7.810 1.00 0.00 C ATOM 996 C GLY A 68 -7.711 -4.748 6.965 1.00 0.00 C ATOM 997 O GLY A 68 -7.348 -5.640 6.198 1.00 0.00 O ATOM 0 H GLY A 68 -5.308 -5.424 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.039 -3.980 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.655 -2.958 7.476 1.00 0.00 H new ATOM 1001 N THR A 69 -8.984 -4.392 7.107 1.00 0.00 N ATOM 1002 CA THR A 69 -10.026 -4.915 6.235 1.00 0.00 C ATOM 1003 C THR A 69 -10.759 -3.788 5.516 1.00 0.00 C ATOM 1004 O THR A 69 -10.877 -2.680 6.036 1.00 0.00 O ATOM 1005 CB THR A 69 -11.047 -5.761 7.019 1.00 0.00 C ATOM 1006 OG1 THR A 69 -12.039 -6.272 6.119 1.00 0.00 O ATOM 1007 CG2 THR A 69 -11.723 -4.921 8.092 1.00 0.00 C ATOM 0 H THR A 69 -9.317 -3.742 7.819 1.00 0.00 H new ATOM 0 HA THR A 69 -9.532 -5.550 5.500 1.00 0.00 H new ATOM 0 HB THR A 69 -10.522 -6.587 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.369 -7.133 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.441 -5.535 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.971 -4.542 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.242 -4.083 7.625 1.00 0.00 H new ATOM 1015 N TYR A 70 -11.250 -4.080 4.316 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.835 -3.055 3.460 1.00 0.00 C ATOM 1017 C TYR A 70 -13.159 -2.557 4.033 1.00 0.00 C ATOM 1018 O TYR A 70 -13.987 -3.346 4.490 1.00 0.00 O ATOM 1019 CB TYR A 70 -12.043 -3.594 2.043 1.00 0.00 C ATOM 1020 CG TYR A 70 -10.762 -3.984 1.342 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -9.549 -3.977 2.016 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -10.767 -4.360 0.007 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -8.375 -4.332 1.380 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -9.600 -4.718 -0.639 1.00 0.00 C ATOM 1025 CZ TYR A 70 -8.406 -4.704 0.051 1.00 0.00 C ATOM 1026 OH TYR A 70 -7.240 -5.060 -0.588 1.00 0.00 O ATOM 0 H TYR A 70 -11.254 -5.018 3.915 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.141 -2.215 3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.700 -4.463 2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.555 -2.837 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.522 -3.689 3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.700 -4.373 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.439 -4.319 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.622 -5.007 -1.679 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.436 -5.295 -1.519 1.00 0.00 H new ATOM 1036 N THR A 71 -13.352 -1.243 4.004 1.00 0.00 N ATOM 1037 CA THR A 71 -14.612 -0.647 4.428 1.00 0.00 C ATOM 1038 C THR A 71 -15.491 -0.308 3.229 1.00 0.00 C ATOM 1039 O THR A 71 -16.719 -0.312 3.326 1.00 0.00 O ATOM 1040 CB THR A 71 -14.382 0.628 5.261 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.732 1.619 4.454 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.519 0.324 6.476 1.00 0.00 C ATOM 0 H THR A 71 -12.652 -0.571 3.691 1.00 0.00 H new ATOM 0 HA THR A 71 -15.118 -1.387 5.048 1.00 0.00 H new ATOM 0 HB THR A 71 -15.349 1.001 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.711 2.472 4.937 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.367 1.237 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.016 -0.420 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.554 -0.063 6.149 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.856 -0.018 2.099 1.00 0.00 N ATOM 1051 CA LYS A 72 -15.578 0.393 0.900 1.00 0.00 C ATOM 1052 C LYS A 72 -14.662 0.368 -0.321 1.00 0.00 C ATOM 1053 O LYS A 72 -13.496 0.756 -0.242 1.00 0.00 O ATOM 1054 CB LYS A 72 -16.176 1.787 1.083 1.00 0.00 C ATOM 1055 CG LYS A 72 -17.141 2.208 -0.017 1.00 0.00 C ATOM 1056 CD LYS A 72 -17.775 3.557 0.288 1.00 0.00 C ATOM 1057 CE LYS A 72 -18.845 3.910 -0.735 1.00 0.00 C ATOM 1058 NZ LYS A 72 -19.486 5.220 -0.439 1.00 0.00 N ATOM 0 H LYS A 72 -13.843 -0.060 1.988 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.390 -0.316 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.697 1.823 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.365 2.513 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.611 2.260 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.921 1.454 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.215 3.537 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.006 4.329 0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.400 3.940 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.605 3.129 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.209 5.423 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.933 5.184 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.765 5.970 -0.451 1.00 0.00 H new ATOM 1072 N VAL A 73 -15.196 -0.089 -1.448 1.00 0.00 N ATOM 1073 CA VAL A 73 -14.459 -0.072 -2.706 1.00 0.00 C ATOM 1074 C VAL A 73 -15.328 0.453 -3.845 1.00 0.00 C ATOM 1075 O VAL A 73 -16.418 -0.061 -4.095 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.938 -1.472 -3.076 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -13.172 -1.427 -4.389 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -13.055 -2.022 -1.965 1.00 0.00 C ATOM 0 H VAL A 73 -16.137 -0.476 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.609 0.595 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.794 -2.136 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.811 -2.426 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.831 -1.074 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.324 -0.749 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.695 -3.013 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.205 -1.357 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.632 -2.091 -1.043 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.838 1.481 -4.530 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.606 2.135 -5.582 1.00 0.00 C ATOM 1090 C VAL A 74 -14.870 2.081 -6.916 1.00 0.00 C ATOM 1091 O VAL A 74 -13.761 2.598 -7.045 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.908 3.604 -5.232 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.684 4.271 -6.356 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.682 3.692 -3.925 1.00 0.00 C ATOM 0 H VAL A 74 -13.912 1.879 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.547 1.592 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.961 4.130 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.889 5.308 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -16.095 4.240 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.625 3.744 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.887 4.737 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.623 3.151 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.091 3.251 -3.122 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.497 1.451 -7.906 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.929 1.386 -9.248 1.00 0.00 C ATOM 1106 C GLU A 75 -13.456 0.987 -9.197 1.00 0.00 C ATOM 1107 O GLU A 75 -12.661 1.410 -10.035 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.089 2.728 -9.965 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.532 3.186 -10.125 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.610 4.498 -10.855 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.984 5.436 -10.423 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.204 4.535 -11.908 1.00 0.00 O ATOM 0 H GLU A 75 -16.396 0.980 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.472 0.624 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.538 3.489 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.632 2.656 -10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.098 2.430 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.995 3.285 -9.143 1.00 0.00 H new ATOM 1119 N ASN A 76 -13.103 0.174 -8.208 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.717 -0.239 -8.016 1.00 0.00 C ATOM 1121 C ASN A 76 -10.800 0.975 -7.896 1.00 0.00 C ATOM 1122 O ASN A 76 -9.841 1.120 -8.655 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.247 -1.146 -9.138 1.00 0.00 C ATOM 1124 CG ASN A 76 -12.106 -2.366 -9.331 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -12.292 -3.170 -8.411 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.562 -2.549 -10.543 1.00 0.00 N ATOM 0 H ASN A 76 -13.757 -0.212 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.671 -0.804 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.225 -0.577 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.224 -1.462 -8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.099 -3.387 -10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.380 -1.854 -11.267 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.100 1.844 -6.937 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.425 3.132 -6.831 1.00 0.00 C ATOM 1135 C LYS A 77 -10.112 3.466 -5.377 1.00 0.00 C ATOM 1136 O LYS A 77 -9.261 4.311 -5.093 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.279 4.238 -7.454 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.386 4.171 -8.972 1.00 0.00 C ATOM 1139 CD LYS A 77 -12.296 5.264 -9.511 1.00 0.00 C ATOM 1140 CE LYS A 77 -12.463 5.152 -11.019 1.00 0.00 C ATOM 1141 NZ LYS A 77 -13.413 6.167 -11.551 1.00 0.00 N ATOM 0 H LYS A 77 -11.807 1.679 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.484 3.064 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.281 4.189 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.861 5.205 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.394 4.270 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.771 3.195 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.272 5.198 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.882 6.241 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.493 5.275 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.820 4.154 -11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.421 6.124 -12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.368 5.972 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.114 7.115 -11.246 1.00 0.00 H new ATOM 1155 N ARG A 78 -10.800 2.795 -4.460 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.736 3.149 -3.046 1.00 0.00 C ATOM 1157 C ARG A 78 -10.574 1.902 -2.181 1.00 0.00 C ATOM 1158 O ARG A 78 -11.319 0.934 -2.327 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.928 3.986 -2.607 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.969 4.312 -1.123 1.00 0.00 C ATOM 1161 CD ARG A 78 -13.123 5.152 -0.712 1.00 0.00 C ATOM 1162 NE ARG A 78 -13.265 5.319 0.725 1.00 0.00 N ATOM 1163 CZ ARG A 78 -14.140 6.157 1.315 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.923 6.932 0.599 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -14.173 6.197 2.636 1.00 0.00 N ATOM 0 H ARG A 78 -11.408 2.003 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.853 3.773 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.925 4.920 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.843 3.457 -2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.995 3.380 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.046 4.824 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.022 6.135 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.038 4.709 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.660 4.763 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.874 6.905 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.580 7.561 1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.547 5.603 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.825 6.821 3.111 1.00 0.00 H new ATOM 1179 N ILE A 79 -9.599 1.937 -1.280 1.00 0.00 N ATOM 1180 CA ILE A 79 -9.456 0.895 -0.269 1.00 0.00 C ATOM 1181 C ILE A 79 -9.123 1.493 1.093 1.00 0.00 C ATOM 1182 O ILE A 79 -8.054 2.071 1.284 1.00 0.00 O ATOM 1183 CB ILE A 79 -8.364 -0.120 -0.656 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -8.742 -0.844 -1.950 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -8.143 -1.116 0.472 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -7.676 -1.792 -2.453 1.00 0.00 C ATOM 0 H ILE A 79 -8.896 2.675 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.414 0.378 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.432 0.419 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.664 -1.402 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.950 -0.103 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.369 -1.827 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.831 -0.584 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.071 -1.652 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.016 -2.267 -3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.759 -1.237 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.484 -2.556 -1.700 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.048 1.348 2.038 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.879 1.925 3.366 1.00 0.00 C ATOM 1200 C GLU A 80 -9.914 0.842 4.439 1.00 0.00 C ATOM 1201 O GLU A 80 -10.763 -0.049 4.409 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.960 2.973 3.637 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.873 3.626 5.009 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.031 4.555 5.247 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.019 4.429 4.565 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.973 5.317 6.184 1.00 0.00 O ATOM 0 H GLU A 80 -10.921 0.836 1.908 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.904 2.411 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.896 3.749 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.938 2.504 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.858 2.856 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.937 4.179 5.092 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.986 0.925 5.386 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.793 -0.141 6.362 1.00 0.00 C ATOM 1215 C TYR A 81 -8.294 0.421 7.691 1.00 0.00 C ATOM 1216 O TYR A 81 -7.900 1.584 7.776 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.811 -1.186 5.828 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.408 -0.659 5.623 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.045 -0.049 4.431 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.449 -0.775 6.619 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.766 0.434 4.237 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.167 -0.296 6.437 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.829 0.309 5.243 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.552 0.787 5.054 1.00 0.00 O ATOM 0 H TYR A 81 -8.356 1.719 5.498 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.757 -0.621 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.776 -2.025 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.186 -1.572 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.775 0.050 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.710 -1.249 7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.500 0.907 3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.433 -0.394 7.224 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.018 0.621 5.859 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.318 -0.414 8.724 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.909 0.011 10.057 1.00 0.00 C ATOM 1236 C ALA A 82 -6.850 -0.924 10.631 1.00 0.00 C ATOM 1237 O ALA A 82 -6.899 -2.135 10.424 1.00 0.00 O ATOM 1238 CB ALA A 82 -9.115 0.076 10.983 1.00 0.00 C ATOM 0 H ALA A 82 -8.616 -1.388 8.664 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.472 1.006 9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.795 0.395 11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.839 0.789 10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.576 -0.909 11.050 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.890 -0.352 11.352 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.810 -1.133 11.942 1.00 0.00 C ATOM 1246 C PHE A 83 -4.646 -0.801 13.423 1.00 0.00 C ATOM 1247 O PHE A 83 -4.167 0.274 13.782 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.499 -0.883 11.196 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.335 -1.664 11.737 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -2.343 -3.051 11.714 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.232 -1.015 12.268 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -1.272 -3.772 12.211 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.160 -1.733 12.764 1.00 0.00 C ATOM 1254 CZ PHE A 83 -0.182 -3.112 12.736 1.00 0.00 C ATOM 0 H PHE A 83 -5.839 0.649 11.541 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.068 -2.188 11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.636 -1.135 10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.263 0.180 11.241 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.194 -3.574 11.304 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.210 0.064 12.295 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.290 -4.852 12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.694 -1.215 13.173 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.654 -3.674 13.125 1.00 0.00 H new ATOM 1264 N GLY A 84 -5.049 -1.735 14.281 1.00 0.00 N ATOM 1265 CA GLY A 84 -5.024 -1.490 15.711 1.00 0.00 C ATOM 1266 C GLY A 84 -6.012 -0.419 16.132 1.00 0.00 C ATOM 1267 O GLY A 84 -7.222 -0.591 15.988 1.00 0.00 O ATOM 0 H GLY A 84 -5.392 -2.657 14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.249 -2.416 16.239 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.019 -1.190 16.008 1.00 0.00 H new ATOM 1271 N ASP A 85 -5.495 0.688 16.656 1.00 0.00 N ATOM 1272 CA ASP A 85 -6.311 1.871 16.900 1.00 0.00 C ATOM 1273 C ASP A 85 -6.042 2.943 15.848 1.00 0.00 C ATOM 1274 O ASP A 85 -6.426 4.101 16.016 1.00 0.00 O ATOM 1275 CB ASP A 85 -6.047 2.426 18.301 1.00 0.00 C ATOM 1276 CG ASP A 85 -4.619 2.902 18.530 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -3.826 2.798 17.624 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -4.371 3.508 19.545 1.00 0.00 O ATOM 0 H ASP A 85 -4.515 0.790 16.920 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.359 1.578 16.832 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.728 3.257 18.483 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.282 1.655 19.034 1.00 0.00 H new ATOM 1283 N ARG A 86 -5.382 2.548 14.765 1.00 0.00 N ATOM 1284 CA ARG A 86 -5.067 3.475 13.684 1.00 0.00 C ATOM 1285 C ARG A 86 -5.935 3.199 12.461 1.00 0.00 C ATOM 1286 O ARG A 86 -6.491 2.112 12.312 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.586 3.467 13.333 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.653 3.804 14.485 1.00 0.00 C ATOM 1289 CD ARG A 86 -2.830 5.173 15.035 1.00 0.00 C ATOM 1290 NE ARG A 86 -1.618 5.766 15.576 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.117 5.503 16.800 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.740 4.691 17.626 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.003 6.104 17.158 1.00 0.00 N ATOM 0 H ARG A 86 -5.055 1.594 14.612 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.297 4.479 14.040 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.324 2.481 12.949 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.415 4.179 12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.807 3.081 15.286 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.623 3.691 14.148 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.216 5.820 14.248 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.585 5.141 15.820 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.111 6.428 14.988 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.615 4.250 17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.348 4.502 18.548 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.465 6.747 16.515 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.406 5.925 18.078 1.00 0.00 H new ATOM 1307 N THR A 87 -6.048 4.194 11.584 1.00 0.00 N ATOM 1308 CA THR A 87 -6.727 4.014 10.308 1.00 0.00 C ATOM 1309 C THR A 87 -5.834 4.433 9.146 1.00 0.00 C ATOM 1310 O THR A 87 -4.938 5.263 9.307 1.00 0.00 O ATOM 1311 CB THR A 87 -8.041 4.816 10.249 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.757 6.214 10.383 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.981 4.383 11.363 1.00 0.00 C ATOM 0 H THR A 87 -5.677 5.132 11.736 1.00 0.00 H new ATOM 0 HA THR A 87 -6.957 2.952 10.221 1.00 0.00 H new ATOM 0 HB THR A 87 -8.522 4.627 9.289 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.594 6.723 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.904 4.960 11.305 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.209 3.323 11.255 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.505 4.555 12.328 1.00 0.00 H new ATOM 1321 N ALA A 88 -6.083 3.856 7.975 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.360 4.236 6.768 1.00 0.00 C ATOM 1323 C ALA A 88 -6.225 4.045 5.527 1.00 0.00 C ATOM 1324 O ALA A 88 -7.036 3.122 5.458 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.076 3.428 6.647 1.00 0.00 C ATOM 0 H ALA A 88 -6.780 3.124 7.837 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.107 5.293 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.545 3.721 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.444 3.617 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.318 2.366 6.598 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.049 4.925 4.548 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.832 4.871 3.319 1.00 0.00 C ATOM 1333 C LYS A 89 -5.928 4.943 2.093 1.00 0.00 C ATOM 1334 O LYS A 89 -5.049 5.802 2.007 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.859 6.003 3.286 1.00 0.00 C ATOM 1336 CG LYS A 89 -8.705 6.050 2.020 1.00 0.00 C ATOM 1337 CD LYS A 89 -9.757 7.146 2.097 1.00 0.00 C ATOM 1338 CE LYS A 89 -9.117 8.521 2.210 1.00 0.00 C ATOM 1339 NZ LYS A 89 -10.031 9.600 1.747 1.00 0.00 N ATOM 0 H LYS A 89 -5.370 5.685 4.582 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.361 3.918 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.520 5.902 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.337 6.954 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.062 6.221 1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.191 5.086 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.389 7.109 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.404 6.972 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.834 8.705 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.201 8.544 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.597 10.527 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.200 9.497 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.935 9.531 2.256 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.149 4.038 1.145 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.422 4.059 -0.118 1.00 0.00 C ATOM 1355 C VAL A 90 -6.354 4.364 -1.285 1.00 0.00 C ATOM 1356 O VAL A 90 -7.380 3.708 -1.458 1.00 0.00 O ATOM 1357 CB VAL A 90 -4.705 2.721 -0.381 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -3.936 2.777 -1.692 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -3.770 2.382 0.770 1.00 0.00 C ATOM 0 H VAL A 90 -6.827 3.280 1.228 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.676 4.849 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.458 1.936 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.436 1.823 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.627 2.975 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.193 3.573 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.272 1.434 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.023 3.169 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.344 2.300 1.693 1.00 0.00 H new ATOM 1369 N GLU A 91 -5.990 5.363 -2.082 1.00 0.00 N ATOM 1370 CA GLU A 91 -6.830 5.801 -3.190 1.00 0.00 C ATOM 1371 C GLU A 91 -6.046 5.798 -4.500 1.00 0.00 C ATOM 1372 O GLU A 91 -4.835 6.021 -4.511 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.399 7.194 -2.917 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.418 7.248 -1.788 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.023 8.618 -1.662 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.574 9.509 -2.341 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.006 8.750 -0.971 1.00 0.00 O ATOM 0 H GLU A 91 -5.119 5.884 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.658 5.099 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.576 7.869 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.865 7.568 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.205 6.516 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.938 6.972 -0.849 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.745 5.546 -5.602 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.130 5.586 -6.923 1.00 0.00 C ATOM 1386 C PHE A 92 -6.759 6.677 -7.784 1.00 0.00 C ATOM 1387 O PHE A 92 -7.978 6.724 -7.955 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.260 4.227 -7.615 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.444 3.140 -6.974 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -5.831 2.583 -5.765 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.286 2.674 -7.580 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.082 1.583 -5.176 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.535 1.674 -6.993 1.00 0.00 C ATOM 1394 CZ PHE A 92 -3.933 1.129 -5.789 1.00 0.00 C ATOM 0 H PHE A 92 -7.738 5.312 -5.606 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.072 5.816 -6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.308 3.929 -7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.957 4.330 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.728 2.935 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.968 3.098 -8.521 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.396 1.156 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.637 1.319 -7.476 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.346 0.349 -5.328 1.00 0.00 H new ATOM 1404 N LEU A 93 -5.919 7.555 -8.321 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.389 8.644 -9.170 1.00 0.00 C ATOM 1406 C LEU A 93 -5.909 8.461 -10.606 1.00 0.00 C ATOM 1407 O LEU A 93 -4.714 8.303 -10.855 1.00 0.00 O ATOM 1408 CB LEU A 93 -5.916 9.994 -8.615 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.247 11.210 -9.487 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.755 11.414 -9.549 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.559 12.445 -8.922 1.00 0.00 C ATOM 0 H LEU A 93 -4.909 7.534 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.479 8.629 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.362 10.140 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.836 9.952 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.884 11.039 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.980 12.280 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.225 10.528 -9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.141 11.579 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.795 13.309 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.908 12.623 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.480 12.289 -8.913 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.848 8.486 -11.547 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.518 8.341 -12.959 1.00 0.00 C ATOM 1425 C GLU A 94 -6.107 9.681 -13.562 1.00 0.00 C ATOM 1426 O GLU A 94 -6.880 10.637 -13.562 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.704 7.755 -13.730 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.432 7.507 -15.207 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.640 6.936 -15.896 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.643 6.760 -15.246 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.598 6.780 -17.093 1.00 0.00 O ATOM 0 H GLU A 94 -7.843 8.605 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.675 7.655 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.996 6.814 -13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.552 8.433 -13.638 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.144 8.442 -15.688 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.591 6.821 -15.314 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.882 9.741 -14.074 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.397 10.935 -14.757 1.00 0.00 C ATOM 1440 C ALA A 95 -4.144 10.656 -16.236 1.00 0.00 C ATOM 1441 O ALA A 95 -3.997 9.511 -16.660 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.130 11.447 -14.088 1.00 0.00 C ATOM 0 H ALA A 95 -4.207 8.977 -14.029 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.167 11.704 -14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.779 12.338 -14.608 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.342 11.694 -13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.360 10.676 -14.129 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.091 11.730 -17.039 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.848 11.627 -18.480 1.00 0.00 C ATOM 1450 C PRO A 96 -2.435 11.149 -18.798 1.00 0.00 C ATOM 1451 O PRO A 96 -2.199 10.525 -19.833 1.00 0.00 O ATOM 1452 CB PRO A 96 -4.053 13.060 -18.977 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.827 13.913 -17.777 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.342 13.124 -16.606 1.00 0.00 C ATOM 0 HA PRO A 96 -4.506 10.899 -18.953 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.353 13.306 -19.775 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.057 13.200 -19.379 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.769 14.145 -17.656 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.353 14.863 -17.869 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.811 13.367 -15.685 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.400 13.310 -16.423 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.500 11.448 -17.902 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.103 11.080 -18.107 1.00 0.00 C ATOM 1464 C GLN A 97 0.236 9.793 -17.361 1.00 0.00 C ATOM 1465 O GLN A 97 1.274 9.178 -17.606 1.00 0.00 O ATOM 1466 CB GLN A 97 0.823 12.207 -17.643 1.00 0.00 C ATOM 1467 CG GLN A 97 0.629 13.518 -18.386 1.00 0.00 C ATOM 1468 CD GLN A 97 1.574 14.603 -17.905 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.454 14.355 -17.076 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.394 15.814 -18.420 1.00 0.00 N ATOM 0 H GLN A 97 -1.683 11.943 -17.029 1.00 0.00 H new ATOM 0 HA GLN A 97 0.046 10.914 -19.174 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.663 12.378 -16.579 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.857 11.884 -17.762 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.782 13.354 -19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.400 13.855 -18.260 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.653 15.973 -19.103 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.997 16.585 -18.133 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.646 9.392 -16.450 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.397 8.209 -15.648 1.00 0.00 C ATOM 1481 C GLY A 98 -1.440 8.013 -14.567 1.00 0.00 C ATOM 1482 O GLY A 98 -2.450 8.714 -14.533 1.00 0.00 O ATOM 0 H GLY A 98 -1.528 9.865 -16.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.379 7.332 -16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.588 8.286 -15.188 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.198 7.053 -13.680 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.082 6.821 -12.542 1.00 0.00 C ATOM 1488 C VAL A 99 -1.363 7.083 -11.225 1.00 0.00 C ATOM 1489 O VAL A 99 -0.277 6.556 -10.980 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.632 5.382 -12.539 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.456 5.131 -11.285 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.467 5.126 -13.784 1.00 0.00 C ATOM 0 H VAL A 99 -0.397 6.423 -13.727 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.914 7.518 -12.642 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.789 4.691 -12.543 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.837 4.110 -11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.830 5.273 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.292 5.830 -11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.847 4.104 -13.764 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.304 5.824 -13.811 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.850 5.266 -14.671 1.00 0.00 H new ATOM 1502 N THR A 100 -1.975 7.905 -10.377 1.00 0.00 N ATOM 1503 CA THR A 100 -1.348 8.322 -9.129 1.00 0.00 C ATOM 1504 C THR A 100 -1.871 7.508 -7.952 1.00 0.00 C ATOM 1505 O THR A 100 -3.080 7.416 -7.737 1.00 0.00 O ATOM 1506 CB THR A 100 -1.581 9.818 -8.851 1.00 0.00 C ATOM 1507 OG1 THR A 100 -0.963 10.601 -9.881 1.00 0.00 O ATOM 1508 CG2 THR A 100 -0.995 10.208 -7.502 1.00 0.00 C ATOM 0 H THR A 100 -2.905 8.295 -10.532 1.00 0.00 H new ATOM 0 HA THR A 100 -0.278 8.147 -9.241 1.00 0.00 H new ATOM 0 HB THR A 100 -2.655 10.006 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.011 10.556 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.169 11.269 -7.323 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.472 9.624 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.077 10.011 -7.500 1.00 0.00 H new ATOM 1516 N VAL A 101 -0.956 6.919 -7.190 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.326 6.103 -6.040 1.00 0.00 C ATOM 1518 C VAL A 101 -1.058 6.841 -4.733 1.00 0.00 C ATOM 1519 O VAL A 101 0.080 7.200 -4.433 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.565 4.764 -6.029 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -0.989 3.920 -4.837 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -0.800 4.007 -7.327 1.00 0.00 C ATOM 0 H VAL A 101 0.049 6.992 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.394 5.901 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 101 0.501 4.975 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.441 2.978 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.771 4.458 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.059 3.718 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.255 3.063 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.865 3.808 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.449 4.607 -8.167 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.116 7.063 -3.959 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.015 7.854 -2.737 1.00 0.00 C ATOM 1534 C ARG A 102 -2.314 6.998 -1.511 1.00 0.00 C ATOM 1535 O ARG A 102 -3.341 6.321 -1.448 1.00 0.00 O ATOM 1536 CB ARG A 102 -2.893 9.095 -2.781 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.929 9.898 -1.490 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.842 11.069 -1.522 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.437 12.126 -2.434 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.200 13.186 -2.764 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.420 13.316 -2.294 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.698 14.082 -3.597 1.00 0.00 N ATOM 0 H ARG A 102 -3.051 6.707 -4.156 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.986 8.205 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.543 9.742 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.910 8.795 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.230 9.240 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.921 10.245 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.839 10.728 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.916 11.483 -0.516 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.510 12.060 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.804 12.608 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.983 14.125 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.757 13.960 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.252 14.895 -3.866 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.410 7.032 -0.537 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.625 6.342 0.730 1.00 0.00 C ATOM 1558 C VAL A 103 -1.601 7.321 1.900 1.00 0.00 C ATOM 1559 O VAL A 103 -0.605 8.007 2.128 1.00 0.00 O ATOM 1560 CB VAL A 103 -0.566 5.249 0.965 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -0.812 4.544 2.290 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -0.572 4.247 -0.179 1.00 0.00 C ATOM 0 H VAL A 103 -0.522 7.530 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.608 5.874 0.671 1.00 0.00 H new ATOM 0 HB VAL A 103 0.415 5.723 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.054 3.775 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.759 5.268 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.800 4.083 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.182 3.482 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.554 3.779 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.349 4.761 -1.114 1.00 0.00 H new ATOM 1572 N SER A 104 -2.704 7.378 2.639 1.00 0.00 N ATOM 1573 CA SER A 104 -2.775 8.195 3.845 1.00 0.00 C ATOM 1574 C SER A 104 -2.955 7.322 5.083 1.00 0.00 C ATOM 1575 O SER A 104 -3.808 6.434 5.111 1.00 0.00 O ATOM 1576 CB SER A 104 -3.907 9.197 3.731 1.00 0.00 C ATOM 1577 OG SER A 104 -3.654 10.169 2.755 1.00 0.00 O ATOM 0 H SER A 104 -3.561 6.868 2.424 1.00 0.00 H new ATOM 0 HA SER A 104 -1.836 8.738 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.831 8.673 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.059 9.683 4.695 1.00 0.00 H new ATOM 0 HG SER A 104 -4.408 10.794 2.712 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.147 7.581 6.105 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.143 6.754 7.306 1.00 0.00 C ATOM 1585 C PHE A 105 -1.855 7.596 8.546 1.00 0.00 C ATOM 1586 O PHE A 105 -1.241 8.660 8.458 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.113 5.630 7.178 1.00 0.00 C ATOM 1588 CG PHE A 105 0.281 6.115 6.900 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.701 6.359 5.602 1.00 0.00 C ATOM 1590 CD2 PHE A 105 1.176 6.328 7.938 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.983 6.803 5.345 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.460 6.773 7.685 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.863 7.011 6.388 1.00 0.00 C ATOM 0 H PHE A 105 -1.486 8.358 6.126 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.133 6.311 7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.108 5.047 8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.420 4.957 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.017 6.200 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.866 6.144 8.956 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.297 6.987 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.147 6.934 8.503 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.866 7.360 6.188 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.303 7.112 9.701 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.076 7.809 10.960 1.00 0.00 C ATOM 1605 C VAL A 106 -0.714 7.454 11.546 1.00 0.00 C ATOM 1606 O VAL A 106 -0.303 6.294 11.529 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.171 7.480 11.993 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.890 8.187 13.310 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.541 7.872 11.462 1.00 0.00 C ATOM 0 H VAL A 106 -2.825 6.240 9.790 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.107 8.876 10.740 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.165 6.404 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.673 7.944 14.028 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.926 7.860 13.700 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.869 9.265 13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.302 7.632 12.205 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.559 8.942 11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.746 7.323 10.543 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.019 8.461 12.064 1.00 0.00 N ATOM 1620 CA ALA A 107 1.334 8.273 12.575 1.00 0.00 C ATOM 1621 C ALA A 107 1.353 7.271 13.725 1.00 0.00 C ATOM 1622 O ALA A 107 0.586 7.393 14.680 1.00 0.00 O ATOM 1623 CB ALA A 107 1.919 9.604 13.025 1.00 0.00 C ATOM 0 H ALA A 107 -0.370 9.416 12.141 1.00 0.00 H new ATOM 0 HA ALA A 107 1.947 7.873 11.768 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.929 9.448 13.404 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.951 10.292 12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.297 10.027 13.814 1.00 0.00 H new ATOM 1629 N GLU A 108 2.232 6.279 13.625 1.00 0.00 N ATOM 1630 CA GLU A 108 2.330 5.239 14.642 1.00 0.00 C ATOM 1631 C GLU A 108 3.318 5.638 15.734 1.00 0.00 C ATOM 1632 O GLU A 108 4.384 6.186 15.453 1.00 0.00 O ATOM 1633 CB GLU A 108 2.745 3.908 14.013 1.00 0.00 C ATOM 1634 CG GLU A 108 2.756 2.732 14.979 1.00 0.00 C ATOM 1635 CD GLU A 108 1.391 2.489 15.560 1.00 0.00 C ATOM 1636 OE1 GLU A 108 0.491 2.197 14.810 1.00 0.00 O ATOM 1637 OE2 GLU A 108 1.272 2.487 16.763 1.00 0.00 O ATOM 0 H GLU A 108 2.887 6.174 12.850 1.00 0.00 H new ATOM 0 HA GLU A 108 1.346 5.118 15.096 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.066 3.681 13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.740 4.018 13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.098 1.836 14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.466 2.926 15.783 1.00 0.00 H new ATOM 1644 N THR A 109 2.958 5.357 16.982 1.00 0.00 N ATOM 1645 CA THR A 109 3.732 5.823 18.125 1.00 0.00 C ATOM 1646 C THR A 109 5.153 5.278 18.087 1.00 0.00 C ATOM 1647 O THR A 109 6.098 5.949 18.502 1.00 0.00 O ATOM 1648 CB THR A 109 3.072 5.420 19.458 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.786 6.041 19.565 1.00 0.00 O ATOM 1650 CG2 THR A 109 3.938 5.849 20.633 1.00 0.00 C ATOM 0 H THR A 109 2.134 4.808 17.227 1.00 0.00 H new ATOM 0 HA THR A 109 3.762 6.911 18.061 1.00 0.00 H new ATOM 0 HB THR A 109 2.962 4.336 19.478 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.118 5.369 19.817 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.456 5.556 21.566 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.913 5.367 20.561 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.066 6.931 20.615 1.00 0.00 H new ATOM 1658 N GLU A 110 5.300 4.055 17.585 1.00 0.00 N ATOM 1659 CA GLU A 110 6.588 3.371 17.604 1.00 0.00 C ATOM 1660 C GLU A 110 7.470 3.840 16.451 1.00 0.00 C ATOM 1661 O GLU A 110 8.687 3.658 16.471 1.00 0.00 O ATOM 1662 CB GLU A 110 6.393 1.855 17.537 1.00 0.00 C ATOM 1663 CG GLU A 110 5.704 1.255 18.754 1.00 0.00 C ATOM 1664 CD GLU A 110 5.537 -0.232 18.610 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.976 -0.767 17.621 1.00 0.00 O ATOM 1666 OE2 GLU A 110 5.072 -0.850 19.538 1.00 0.00 O ATOM 0 H GLU A 110 4.544 3.518 17.161 1.00 0.00 H new ATOM 0 HA GLU A 110 7.087 3.618 18.541 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.809 1.615 16.649 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.367 1.381 17.415 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.287 1.473 19.649 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.728 1.721 18.889 1.00 0.00 H new ATOM 1673 N TYR A 111 6.847 4.446 15.445 1.00 0.00 N ATOM 1674 CA TYR A 111 7.557 4.847 14.236 1.00 0.00 C ATOM 1675 C TYR A 111 7.447 6.352 14.013 1.00 0.00 C ATOM 1676 O TYR A 111 6.359 6.899 13.823 1.00 0.00 O ATOM 1677 CB TYR A 111 7.015 4.092 13.021 1.00 0.00 C ATOM 1678 CG TYR A 111 7.291 2.605 13.049 1.00 0.00 C ATOM 1679 CD1 TYR A 111 8.484 2.095 12.559 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.359 1.717 13.564 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.742 0.739 12.581 1.00 0.00 C ATOM 1682 CE2 TYR A 111 6.606 0.357 13.592 1.00 0.00 C ATOM 1683 CZ TYR A 111 7.801 -0.128 13.098 1.00 0.00 C ATOM 1684 OH TYR A 111 8.053 -1.481 13.123 1.00 0.00 O ATOM 0 H TYR A 111 5.852 4.670 15.443 1.00 0.00 H new ATOM 0 HA TYR A 111 8.610 4.596 14.364 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.938 4.250 12.958 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.453 4.516 12.117 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.223 2.770 12.154 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.424 2.094 13.950 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.676 0.358 12.195 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.870 -0.321 13.997 1.00 0.00 H new ATOM 0 HH TYR A 111 7.289 -1.949 13.520 1.00 0.00 H new ATOM 1694 N PRO A 112 8.598 7.039 14.035 1.00 0.00 N ATOM 1695 CA PRO A 112 8.659 8.488 13.830 1.00 0.00 C ATOM 1696 C PRO A 112 7.955 8.924 12.550 1.00 0.00 C ATOM 1697 O PRO A 112 7.955 8.202 11.553 1.00 0.00 O ATOM 1698 CB PRO A 112 10.160 8.791 13.785 1.00 0.00 C ATOM 1699 CG PRO A 112 10.782 7.710 14.601 1.00 0.00 C ATOM 1700 CD PRO A 112 9.958 6.480 14.329 1.00 0.00 C ATOM 0 HA PRO A 112 8.143 9.035 14.619 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.536 8.783 12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.379 9.776 14.197 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.824 7.555 14.320 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.772 7.963 15.661 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.350 5.910 13.487 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.941 5.809 15.187 1.00 0.00 H new ATOM 1708 N VAL A 113 7.353 10.110 12.584 1.00 0.00 N ATOM 1709 CA VAL A 113 6.590 10.613 11.449 1.00 0.00 C ATOM 1710 C VAL A 113 7.426 10.593 10.173 1.00 0.00 C ATOM 1711 O VAL A 113 6.973 10.115 9.133 1.00 0.00 O ATOM 1712 CB VAL A 113 6.083 12.045 11.700 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.502 12.635 10.423 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.046 12.057 12.812 1.00 0.00 C ATOM 0 H VAL A 113 7.380 10.740 13.386 1.00 0.00 H new ATOM 0 HA VAL A 113 5.732 9.952 11.327 1.00 0.00 H new ATOM 0 HB VAL A 113 6.928 12.660 12.011 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.148 13.647 10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.272 12.662 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.669 12.019 10.084 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.699 13.077 12.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.202 11.428 12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.492 11.674 13.730 1.00 0.00 H new ATOM 1724 N GLU A 114 8.644 11.115 10.262 1.00 0.00 N ATOM 1725 CA GLU A 114 9.513 11.230 9.096 1.00 0.00 C ATOM 1726 C GLU A 114 9.911 9.850 8.577 1.00 0.00 C ATOM 1727 O GLU A 114 9.859 9.590 7.376 1.00 0.00 O ATOM 1728 CB GLU A 114 10.761 12.048 9.434 1.00 0.00 C ATOM 1729 CG GLU A 114 10.498 13.530 9.662 1.00 0.00 C ATOM 1730 CD GLU A 114 11.742 14.243 10.114 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.739 13.591 10.311 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.729 15.450 10.155 1.00 0.00 O ATOM 0 H GLU A 114 9.052 11.465 11.129 1.00 0.00 H new ATOM 0 HA GLU A 114 8.959 11.746 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.222 11.631 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.482 11.940 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.132 13.982 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.715 13.652 10.410 1.00 0.00 H new ATOM 1739 N GLN A 115 10.309 8.973 9.492 1.00 0.00 N ATOM 1740 CA GLN A 115 10.818 7.658 9.119 1.00 0.00 C ATOM 1741 C GLN A 115 9.705 6.787 8.547 1.00 0.00 C ATOM 1742 O GLN A 115 9.921 6.029 7.602 1.00 0.00 O ATOM 1743 CB GLN A 115 11.453 6.964 10.328 1.00 0.00 C ATOM 1744 CG GLN A 115 12.753 7.595 10.797 1.00 0.00 C ATOM 1745 CD GLN A 115 13.359 6.862 11.977 1.00 0.00 C ATOM 1746 OE1 GLN A 115 12.849 5.825 12.410 1.00 0.00 O ATOM 1747 NE2 GLN A 115 14.451 7.400 12.510 1.00 0.00 N ATOM 0 H GLN A 115 10.289 9.148 10.497 1.00 0.00 H new ATOM 0 HA GLN A 115 11.579 7.799 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.740 6.972 11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 115 11.639 5.920 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 115 13.467 7.605 9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.571 8.634 11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 115 14.839 8.259 12.120 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.901 6.954 13.309 1.00 0.00 H new ATOM 1756 N GLN A 116 8.515 6.898 9.128 1.00 0.00 N ATOM 1757 CA GLN A 116 7.370 6.115 8.681 1.00 0.00 C ATOM 1758 C GLN A 116 6.863 6.615 7.332 1.00 0.00 C ATOM 1759 O GLN A 116 6.465 5.824 6.476 1.00 0.00 O ATOM 1760 CB GLN A 116 6.242 6.173 9.714 1.00 0.00 C ATOM 1761 CG GLN A 116 5.104 5.201 9.449 1.00 0.00 C ATOM 1762 CD GLN A 116 4.054 5.228 10.543 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.101 6.066 11.448 1.00 0.00 O ATOM 1764 NE2 GLN A 116 3.100 4.307 10.468 1.00 0.00 N ATOM 0 H GLN A 116 8.319 7.523 9.910 1.00 0.00 H new ATOM 0 HA GLN A 116 7.695 5.081 8.570 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.657 5.968 10.701 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.841 7.186 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.637 5.444 8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 116 5.505 4.192 9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.100 3.634 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.367 4.273 11.176 1.00 0.00 H new ATOM 1773 N GLN A 117 6.880 7.930 7.149 1.00 0.00 N ATOM 1774 CA GLN A 117 6.527 8.529 5.867 1.00 0.00 C ATOM 1775 C GLN A 117 7.438 8.014 4.758 1.00 0.00 C ATOM 1776 O GLN A 117 6.970 7.615 3.692 1.00 0.00 O ATOM 1777 CB GLN A 117 6.614 10.056 5.944 1.00 0.00 C ATOM 1778 CG GLN A 117 6.263 10.765 4.648 1.00 0.00 C ATOM 1779 CD GLN A 117 6.362 12.273 4.769 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.782 12.801 5.802 1.00 0.00 O ATOM 1781 NE2 GLN A 117 5.974 12.978 3.712 1.00 0.00 N ATOM 0 H GLN A 117 7.135 8.602 7.872 1.00 0.00 H new ATOM 0 HA GLN A 117 5.501 8.244 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.946 10.408 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.626 10.337 6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.930 10.422 3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.250 10.493 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.633 12.500 2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.017 13.997 3.735 1.00 0.00 H new ATOM 1790 N GLN A 118 8.742 8.026 5.017 1.00 0.00 N ATOM 1791 CA GLN A 118 9.720 7.572 4.035 1.00 0.00 C ATOM 1792 C GLN A 118 9.558 6.082 3.753 1.00 0.00 C ATOM 1793 O GLN A 118 9.745 5.628 2.626 1.00 0.00 O ATOM 1794 CB GLN A 118 11.144 7.857 4.522 1.00 0.00 C ATOM 1795 CG GLN A 118 11.526 9.326 4.499 1.00 0.00 C ATOM 1796 CD GLN A 118 12.887 9.580 5.120 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.543 8.656 5.609 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.317 10.836 5.110 1.00 0.00 N ATOM 0 H GLN A 118 9.145 8.345 5.898 1.00 0.00 H new ATOM 0 HA GLN A 118 9.545 8.122 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.250 7.481 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.847 7.300 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.528 9.682 3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.772 9.903 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.742 11.569 4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.223 11.068 5.517 1.00 0.00 H new ATOM 1807 N GLY A 119 9.209 5.324 4.790 1.00 0.00 N ATOM 1808 CA GLY A 119 9.011 3.895 4.630 1.00 0.00 C ATOM 1809 C GLY A 119 7.868 3.571 3.689 1.00 0.00 C ATOM 1810 O GLY A 119 8.010 2.734 2.796 1.00 0.00 O ATOM 0 H GLY A 119 9.060 5.674 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.928 3.444 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.814 3.447 5.604 1.00 0.00 H new ATOM 1814 N TRP A 120 6.733 4.230 3.889 1.00 0.00 N ATOM 1815 CA TRP A 120 5.561 4.006 3.051 1.00 0.00 C ATOM 1816 C TRP A 120 5.794 4.531 1.639 1.00 0.00 C ATOM 1817 O TRP A 120 5.307 3.955 0.666 1.00 0.00 O ATOM 1818 CB TRP A 120 4.330 4.674 3.665 1.00 0.00 C ATOM 1819 CG TRP A 120 3.588 3.795 4.626 1.00 0.00 C ATOM 1820 CD1 TRP A 120 3.659 3.833 5.986 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.665 2.748 4.300 1.00 0.00 C ATOM 1822 NE1 TRP A 120 2.838 2.875 6.529 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.215 2.196 5.512 1.00 0.00 C ATOM 1824 CE3 TRP A 120 2.176 2.225 3.097 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.307 1.151 5.561 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 1.262 1.179 3.146 1.00 0.00 C ATOM 1827 CH2 TRP A 120 0.840 0.657 4.343 1.00 0.00 C ATOM 0 H TRP A 120 6.599 4.924 4.624 1.00 0.00 H new ATOM 0 HA TRP A 120 5.387 2.932 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.639 5.583 4.181 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.654 4.976 2.865 1.00 0.00 H new ATOM 0 HD1 TRP A 120 4.272 4.517 6.555 1.00 0.00 H new ATOM 0 HE1 TRP A 120 2.712 2.697 7.525 1.00 0.00 H new ATOM 0 HE3 TRP A 120 2.503 2.627 2.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.975 0.737 6.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 0.876 0.769 2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 120 0.129 -0.156 4.342 1.00 0.00 H new ATOM 1838 N GLN A 121 6.542 5.624 1.533 1.00 0.00 N ATOM 1839 CA GLN A 121 6.941 6.154 0.234 1.00 0.00 C ATOM 1840 C GLN A 121 7.856 5.175 -0.495 1.00 0.00 C ATOM 1841 O GLN A 121 7.739 4.985 -1.704 1.00 0.00 O ATOM 1842 CB GLN A 121 7.649 7.502 0.399 1.00 0.00 C ATOM 1843 CG GLN A 121 7.991 8.189 -0.912 1.00 0.00 C ATOM 1844 CD GLN A 121 6.755 8.614 -1.682 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.898 9.332 -1.160 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.655 8.170 -2.929 1.00 0.00 N ATOM 0 H GLN A 121 6.884 6.160 2.330 1.00 0.00 H new ATOM 0 HA GLN A 121 6.039 6.297 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.014 8.164 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.567 7.351 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.609 9.064 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.586 7.515 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.388 7.578 -3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.845 8.421 -3.496 1.00 0.00 H new ATOM 1855 N ALA A 122 8.767 4.557 0.251 1.00 0.00 N ATOM 1856 CA ALA A 122 9.666 3.558 -0.314 1.00 0.00 C ATOM 1857 C ALA A 122 8.889 2.349 -0.825 1.00 0.00 C ATOM 1858 O ALA A 122 9.259 1.740 -1.829 1.00 0.00 O ATOM 1859 CB ALA A 122 10.694 3.128 0.721 1.00 0.00 C ATOM 0 H ALA A 122 8.901 4.731 1.247 1.00 0.00 H new ATOM 0 HA ALA A 122 10.185 4.008 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.359 2.382 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.277 3.993 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.184 2.700 1.584 1.00 0.00 H new ATOM 1865 N ILE A 123 7.812 2.005 -0.128 1.00 0.00 N ATOM 1866 CA ILE A 123 6.953 0.903 -0.542 1.00 0.00 C ATOM 1867 C ILE A 123 6.292 1.198 -1.885 1.00 0.00 C ATOM 1868 O ILE A 123 6.267 0.349 -2.777 1.00 0.00 O ATOM 1869 CB ILE A 123 5.863 0.611 0.505 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.486 0.023 1.773 1.00 0.00 C ATOM 1871 CG2 ILE A 123 4.816 -0.333 -0.066 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.532 -0.052 2.944 1.00 0.00 C ATOM 0 H ILE A 123 7.513 2.474 0.727 1.00 0.00 H new ATOM 0 HA ILE A 123 7.591 0.025 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 123 5.372 1.549 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.857 -0.978 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.348 0.627 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.053 -0.529 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.353 0.123 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.290 -1.271 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.046 -0.479 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.180 0.950 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.681 -0.681 2.681 1.00 0.00 H new ATOM 1884 N LEU A 124 5.758 2.406 -2.023 1.00 0.00 N ATOM 1885 CA LEU A 124 5.166 2.842 -3.283 1.00 0.00 C ATOM 1886 C LEU A 124 6.228 2.970 -4.369 1.00 0.00 C ATOM 1887 O LEU A 124 5.979 2.663 -5.533 1.00 0.00 O ATOM 1888 CB LEU A 124 4.432 4.176 -3.092 1.00 0.00 C ATOM 1889 CG LEU A 124 3.150 4.102 -2.251 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.597 5.502 -2.021 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.127 3.226 -2.960 1.00 0.00 C ATOM 0 H LEU A 124 5.723 3.102 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 124 4.446 2.088 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.115 4.884 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.181 4.578 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 124 3.375 3.661 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.687 5.440 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.337 6.104 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.370 5.966 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.217 3.173 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.896 3.653 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.534 2.223 -3.090 1.00 0.00 H new ATOM 1903 N ASN A 125 7.415 3.421 -3.978 1.00 0.00 N ATOM 1904 CA ASN A 125 8.499 3.648 -4.927 1.00 0.00 C ATOM 1905 C ASN A 125 8.948 2.336 -5.564 1.00 0.00 C ATOM 1906 O ASN A 125 9.250 2.285 -6.756 1.00 0.00 O ATOM 1907 CB ASN A 125 9.677 4.346 -4.272 1.00 0.00 C ATOM 1908 CG ASN A 125 9.417 5.790 -3.942 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.451 6.394 -4.423 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.319 6.368 -3.190 1.00 0.00 N ATOM 0 H ASN A 125 7.651 3.637 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 125 8.114 4.302 -5.709 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.940 3.815 -3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.540 4.284 -4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.244 7.363 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.097 5.824 -2.818 1.00 0.00 H new ATOM 1917 N ASN A 126 8.987 1.278 -4.761 1.00 0.00 N ATOM 1918 CA ASN A 126 9.304 -0.053 -5.265 1.00 0.00 C ATOM 1919 C ASN A 126 8.245 -0.525 -6.255 1.00 0.00 C ATOM 1920 O ASN A 126 8.562 -1.139 -7.274 1.00 0.00 O ATOM 1921 CB ASN A 126 9.454 -1.054 -4.134 1.00 0.00 C ATOM 1922 CG ASN A 126 10.712 -0.876 -3.331 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.608 -0.111 -3.704 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.819 -1.640 -2.273 1.00 0.00 N ATOM 0 H ASN A 126 8.803 1.317 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 126 10.260 0.013 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.594 -0.969 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.438 -2.062 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.672 -1.621 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.049 -2.254 -2.008 1.00 0.00 H new ATOM 1931 N PHE A 127 6.984 -0.233 -5.951 1.00 0.00 N ATOM 1932 CA PHE A 127 5.879 -0.600 -6.830 1.00 0.00 C ATOM 1933 C PHE A 127 6.012 0.090 -8.184 1.00 0.00 C ATOM 1934 O PHE A 127 5.749 -0.508 -9.228 1.00 0.00 O ATOM 1935 CB PHE A 127 4.539 -0.245 -6.183 1.00 0.00 C ATOM 1936 CG PHE A 127 3.352 -0.518 -7.061 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.950 -1.818 -7.325 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.635 0.527 -7.626 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.857 -2.070 -8.134 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.541 0.279 -8.433 1.00 0.00 C ATOM 1941 CZ PHE A 127 1.153 -1.022 -8.687 1.00 0.00 C ATOM 0 H PHE A 127 6.702 0.257 -5.102 1.00 0.00 H new ATOM 0 HA PHE A 127 5.915 -1.678 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.432 -0.810 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.545 0.811 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.497 -2.644 -6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 127 2.935 1.546 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.555 -3.088 -8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.990 1.102 -8.865 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.299 -1.218 -9.318 1.00 0.00 H new ATOM 1951 N LYS A 128 6.419 1.355 -8.160 1.00 0.00 N ATOM 1952 CA LYS A 128 6.612 2.120 -9.388 1.00 0.00 C ATOM 1953 C LYS A 128 7.645 1.451 -10.288 1.00 0.00 C ATOM 1954 O LYS A 128 7.402 1.241 -11.477 1.00 0.00 O ATOM 1955 CB LYS A 128 7.040 3.552 -9.065 1.00 0.00 C ATOM 1956 CG LYS A 128 7.269 4.430 -10.288 1.00 0.00 C ATOM 1957 CD LYS A 128 7.717 5.828 -9.889 1.00 0.00 C ATOM 1958 CE LYS A 128 8.018 6.684 -11.111 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.522 8.032 -10.736 1.00 0.00 N ATOM 0 H LYS A 128 6.622 1.872 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 128 5.661 2.150 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.277 4.014 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.958 3.521 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.023 3.974 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.350 4.493 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.940 6.304 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.606 5.762 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 128 8.758 6.180 -11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.115 6.789 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.715 8.583 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.806 8.523 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.398 7.934 -10.185 1.00 0.00 H new ATOM 1973 N ARG A 129 8.797 1.120 -9.715 1.00 0.00 N ATOM 1974 CA ARG A 129 9.871 0.485 -10.470 1.00 0.00 C ATOM 1975 C ARG A 129 9.477 -0.926 -10.895 1.00 0.00 C ATOM 1976 O ARG A 129 9.886 -1.405 -11.954 1.00 0.00 O ATOM 1977 CB ARG A 129 11.190 0.494 -9.714 1.00 0.00 C ATOM 1978 CG ARG A 129 11.873 1.850 -9.632 1.00 0.00 C ATOM 1979 CD ARG A 129 13.182 1.836 -8.931 1.00 0.00 C ATOM 1980 NE ARG A 129 13.882 3.111 -8.936 1.00 0.00 N ATOM 1981 CZ ARG A 129 15.102 3.316 -8.401 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.744 2.346 -7.787 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.628 4.524 -8.491 1.00 0.00 N ATOM 0 H ARG A 129 9.011 1.281 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 129 10.027 1.077 -11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.014 0.131 -8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.871 -0.211 -10.192 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.020 2.231 -10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.209 2.548 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 129 13.023 1.527 -7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.820 1.084 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 129 13.417 3.906 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 129 15.319 1.422 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.667 2.518 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.113 5.271 -8.956 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.550 4.710 -8.096 1.00 0.00 H new ATOM 1997 N HIS A 130 8.678 -1.587 -10.064 1.00 0.00 N ATOM 1998 CA HIS A 130 8.173 -2.918 -10.384 1.00 0.00 C ATOM 1999 C HIS A 130 7.344 -2.891 -11.665 1.00 0.00 C ATOM 2000 O HIS A 130 7.539 -3.712 -12.561 1.00 0.00 O ATOM 2001 CB HIS A 130 7.336 -3.475 -9.228 1.00 0.00 C ATOM 2002 CG HIS A 130 6.702 -4.798 -9.526 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.419 -5.976 -9.559 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.420 -5.130 -9.808 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.604 -6.976 -9.846 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.386 -6.489 -10.002 1.00 0.00 N ATOM 0 H HIS A 130 8.366 -1.223 -9.164 1.00 0.00 H new ATOM 0 HA HIS A 130 9.031 -3.572 -10.539 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.971 -3.576 -8.348 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.556 -2.757 -8.977 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.581 -4.453 -9.869 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.886 -8.015 -9.937 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.555 -7.034 -10.230 1.00 0.00 H new ATOM 2013 N VAL A 131 6.418 -1.940 -11.745 1.00 0.00 N ATOM 2014 CA VAL A 131 5.628 -1.742 -12.954 1.00 0.00 C ATOM 2015 C VAL A 131 6.494 -1.233 -14.099 1.00 0.00 C ATOM 2016 O VAL A 131 6.334 -1.651 -15.246 1.00 0.00 O ATOM 2017 CB VAL A 131 4.472 -0.753 -12.718 1.00 0.00 C ATOM 2018 CG1 VAL A 131 3.782 -0.415 -14.032 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.472 -1.327 -11.726 1.00 0.00 C ATOM 0 H VAL A 131 6.197 -1.295 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 131 5.212 -2.714 -13.221 1.00 0.00 H new ATOM 0 HB VAL A 131 4.886 0.164 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.968 0.285 -13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.501 0.038 -14.715 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.383 -1.326 -14.478 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.662 -0.614 -11.572 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.065 -2.259 -12.118 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.971 -1.520 -10.776 1.00 0.00 H new ATOM 2029 N GLU A 132 7.416 -0.329 -13.780 1.00 0.00 N ATOM 2030 CA GLU A 132 8.258 0.294 -14.795 1.00 0.00 C ATOM 2031 C GLU A 132 9.046 -0.759 -15.569 1.00 0.00 C ATOM 2032 O GLU A 132 9.239 -0.639 -16.780 1.00 0.00 O ATOM 2033 CB GLU A 132 9.213 1.305 -14.155 1.00 0.00 C ATOM 2034 CG GLU A 132 10.059 2.087 -15.149 1.00 0.00 C ATOM 2035 CD GLU A 132 10.889 3.132 -14.457 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.645 2.781 -13.585 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.849 4.266 -14.875 1.00 0.00 O ATOM 0 H GLU A 132 7.598 -0.012 -12.828 1.00 0.00 H new ATOM 0 HA GLU A 132 7.609 0.821 -15.495 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.632 2.008 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 132 9.875 0.777 -13.469 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.711 1.403 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.412 2.563 -15.886 1.00 0.00 H new ATOM 2044 N SER A 133 9.499 -1.789 -14.862 1.00 0.00 N ATOM 2045 CA SER A 133 10.285 -2.851 -15.478 1.00 0.00 C ATOM 2046 C SER A 133 9.422 -3.695 -16.412 1.00 0.00 C ATOM 2047 O SER A 133 9.936 -4.451 -17.237 1.00 0.00 O ATOM 2048 CB SER A 133 10.917 -3.722 -14.409 1.00 0.00 C ATOM 2049 OG SER A 133 9.961 -4.450 -13.688 1.00 0.00 O ATOM 0 H SER A 133 9.335 -1.911 -13.863 1.00 0.00 H new ATOM 0 HA SER A 133 11.076 -2.392 -16.071 1.00 0.00 H new ATOM 0 HB2 SER A 133 11.622 -4.411 -14.874 1.00 0.00 H new ATOM 0 HB3 SER A 133 11.488 -3.096 -13.723 1.00 0.00 H new ATOM 0 HG SER A 133 9.235 -3.853 -13.412 1.00 0.00 H new ATOM 2055 N HIS A 134 8.107 -3.557 -16.277 1.00 0.00 N ATOM 2056 CA HIS A 134 7.170 -4.356 -17.059 1.00 0.00 C ATOM 2057 C HIS A 134 6.639 -3.560 -18.248 1.00 0.00 C ATOM 2058 O HIS A 134 5.750 -4.016 -18.967 1.00 0.00 O ATOM 2059 CB HIS A 134 6.007 -4.838 -16.187 1.00 0.00 C ATOM 2060 CG HIS A 134 6.414 -5.820 -15.132 1.00 0.00 C ATOM 2061 ND1 HIS A 134 5.552 -6.250 -14.145 1.00 0.00 N ATOM 2062 CD2 HIS A 134 7.589 -6.453 -14.908 1.00 0.00 C ATOM 2063 CE1 HIS A 134 6.180 -7.108 -13.360 1.00 0.00 C ATOM 2064 NE2 HIS A 134 7.416 -7.248 -13.802 1.00 0.00 N ATOM 0 H HIS A 134 7.666 -2.900 -15.634 1.00 0.00 H new ATOM 0 HA HIS A 134 7.707 -5.227 -17.436 1.00 0.00 H new ATOM 0 HB2 HIS A 134 5.541 -3.976 -15.709 1.00 0.00 H new ATOM 0 HB3 HIS A 134 5.251 -5.296 -16.825 1.00 0.00 H new ATOM 0 HD2 HIS A 134 8.493 -6.352 -15.490 1.00 0.00 H new ATOM 0 HE1 HIS A 134 5.755 -7.609 -12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 134 8.128 -7.850 -13.388 1.00 0.00 H new