USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 838 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 5 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 93 THR OG1 : rot -38:sc= 2.52 USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0868 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.063) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 22 ASN : amide:sc= -4.55! K(o=-4.6!,f=-0.32) USER MOD Single : A 29 THR OG1 : rot -69:sc= 1.29 USER MOD Single : A 31 GLN : amide:sc= -0.655 K(o=-0.65,f=-1.6) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 34 SER OG : rot 89:sc= 1.22 USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.593 USER MOD Single : A 41 SER OG : rot 129:sc= 1.27 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 1.2 (180deg=-1.01!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.12 K(o=-1.1,f=-4!) USER MOD Single : A 59 GLN : amide:sc= 0.695 K(o=0.7,f=-0.016) USER MOD Single : A 60 HIS : no HD1:sc= -0.067 K(o=-0.067,f=-0.57) USER MOD Single : A 64 SER OG : rot -73:sc= 1.37 USER MOD Single : A 65 ASN : amide:sc= -0.33 K(o=-0.33,f=0.28) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 106:sc= 1.19 USER MOD Single : A 83 GLN : amide:sc= -5.18! C(o=-5.2!,f=-4.3!) USER MOD Single : A 87 LYS NZ :NH3+ 150:sc= 1.14 (180deg=-0.217) USER MOD Single : A 89 ASN : amide:sc= -0.0358 X(o=-0.036,f=0.021) USER MOD Single : A 95 SER OG : rot 89:sc= 0.464 USER MOD Single : A 98 SER OG : rot 180:sc= -0.205 USER MOD Single : A 102 HIS : no HE2:sc= -0.984! C(o=-0.98!,f=-6.8!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.187 -7.725 8.460 1.00 8.29 N ATOM 2 CA GLY A 1 24.679 -7.902 7.081 1.00 7.86 C ATOM 3 C GLY A 1 23.267 -7.381 6.937 1.00 7.10 C ATOM 4 O GLY A 1 22.564 -7.216 7.932 1.00 7.08 O ATOM 0 H1 GLY A 1 25.799 -6.885 8.499 1.00 8.29 H new ATOM 0 H2 GLY A 1 24.386 -7.601 9.112 1.00 8.29 H new ATOM 0 H3 GLY A 1 25.733 -8.565 8.739 1.00 8.29 H new ATOM 0 HA2 GLY A 1 25.333 -7.381 6.382 1.00 7.86 H new ATOM 0 HA3 GLY A 1 24.706 -8.959 6.815 1.00 7.86 H new ATOM 10 N PRO A 2 22.836 -7.059 5.710 1.00 6.73 N ATOM 11 CA PRO A 2 21.508 -6.501 5.464 1.00 6.29 C ATOM 12 C PRO A 2 20.447 -7.580 5.249 1.00 5.85 C ATOM 13 O PRO A 2 19.380 -7.298 4.691 1.00 6.07 O ATOM 14 CB PRO A 2 21.725 -5.702 4.183 1.00 6.38 C ATOM 15 CG PRO A 2 22.761 -6.471 3.435 1.00 6.76 C ATOM 16 CD PRO A 2 23.635 -7.137 4.470 1.00 7.06 C ATOM 0 HA PRO A 2 21.138 -5.916 6.306 1.00 6.29 H new ATOM 0 HB2 PRO A 2 20.803 -5.615 3.608 1.00 6.38 H new ATOM 0 HB3 PRO A 2 22.062 -4.688 4.400 1.00 6.38 H new ATOM 0 HG2 PRO A 2 22.298 -7.212 2.784 1.00 6.76 H new ATOM 0 HG3 PRO A 2 23.349 -5.810 2.798 1.00 6.76 H new ATOM 0 HD2 PRO A 2 23.857 -8.170 4.201 1.00 7.06 H new ATOM 0 HD3 PRO A 2 24.590 -6.623 4.577 1.00 7.06 H new ATOM 24 N LEU A 3 20.783 -8.817 5.632 1.00 5.64 N ATOM 25 CA LEU A 3 19.920 -9.992 5.445 1.00 5.68 C ATOM 26 C LEU A 3 19.893 -10.426 3.979 1.00 5.29 C ATOM 27 O LEU A 3 20.282 -11.546 3.646 1.00 5.56 O ATOM 28 CB LEU A 3 18.496 -9.732 5.954 1.00 6.31 C ATOM 29 CG LEU A 3 18.131 -10.456 7.251 1.00 6.71 C ATOM 30 CD1 LEU A 3 18.752 -9.754 8.450 1.00 7.00 C ATOM 31 CD2 LEU A 3 16.620 -10.537 7.407 1.00 7.22 C ATOM 0 H LEU A 3 21.671 -9.034 6.085 1.00 5.64 H new ATOM 0 HA LEU A 3 20.344 -10.803 6.037 1.00 5.68 H new ATOM 0 HB2 LEU A 3 18.371 -8.660 6.106 1.00 6.31 H new ATOM 0 HB3 LEU A 3 17.789 -10.028 5.179 1.00 6.31 H new ATOM 0 HG LEU A 3 18.530 -11.469 7.202 1.00 6.71 H new ATOM 0 HD11 LEU A 3 18.481 -10.284 9.363 1.00 7.00 H new ATOM 0 HD12 LEU A 3 19.837 -9.745 8.345 1.00 7.00 H new ATOM 0 HD13 LEU A 3 18.384 -8.729 8.503 1.00 7.00 H new ATOM 0 HD21 LEU A 3 16.377 -11.055 8.335 1.00 7.22 H new ATOM 0 HD22 LEU A 3 16.202 -9.530 7.433 1.00 7.22 H new ATOM 0 HD23 LEU A 3 16.196 -11.084 6.565 1.00 7.22 H new ATOM 43 N GLY A 4 19.514 -9.507 3.106 1.00 4.99 N ATOM 44 CA GLY A 4 19.536 -9.771 1.685 1.00 4.95 C ATOM 45 C GLY A 4 20.442 -8.803 0.959 1.00 4.12 C ATOM 46 O GLY A 4 21.657 -8.815 1.157 1.00 4.21 O ATOM 0 H GLY A 4 19.189 -8.574 3.360 1.00 4.99 H new ATOM 0 HA2 GLY A 4 19.875 -10.792 1.508 1.00 4.95 H new ATOM 0 HA3 GLY A 4 18.525 -9.697 1.284 1.00 4.95 H new ATOM 50 N SER A 5 19.853 -7.913 0.181 1.00 3.64 N ATOM 51 CA SER A 5 20.615 -6.893 -0.520 1.00 3.04 C ATOM 52 C SER A 5 20.731 -5.637 0.340 1.00 2.18 C ATOM 53 O SER A 5 21.830 -5.149 0.598 1.00 2.49 O ATOM 54 CB SER A 5 19.942 -6.572 -1.852 1.00 3.40 C ATOM 55 OG SER A 5 18.723 -7.285 -1.979 1.00 4.18 O ATOM 0 H SER A 5 18.847 -7.875 0.018 1.00 3.64 H new ATOM 0 HA SER A 5 21.620 -7.267 -0.716 1.00 3.04 H new ATOM 0 HB2 SER A 5 19.752 -5.501 -1.921 1.00 3.40 H new ATOM 0 HB3 SER A 5 20.609 -6.831 -2.674 1.00 3.40 H new ATOM 0 HG SER A 5 18.304 -7.066 -2.837 1.00 4.18 H new ATOM 61 N VAL A 6 19.597 -5.187 0.863 1.00 1.77 N ATOM 62 CA VAL A 6 19.565 -4.046 1.767 1.00 1.55 C ATOM 63 C VAL A 6 18.389 -4.178 2.729 1.00 1.64 C ATOM 64 O VAL A 6 18.532 -3.938 3.928 1.00 2.57 O ATOM 65 CB VAL A 6 19.499 -2.700 0.988 1.00 2.21 C ATOM 66 CG1 VAL A 6 18.387 -1.786 1.496 1.00 2.77 C ATOM 67 CG2 VAL A 6 20.841 -1.988 1.067 1.00 2.87 C ATOM 0 H VAL A 6 18.683 -5.598 0.675 1.00 1.77 H new ATOM 0 HA VAL A 6 20.491 -4.040 2.341 1.00 1.55 H new ATOM 0 HB VAL A 6 19.269 -2.937 -0.051 1.00 2.21 H new ATOM 0 HG11 VAL A 6 18.384 -0.861 0.919 1.00 2.77 H new ATOM 0 HG12 VAL A 6 17.425 -2.286 1.384 1.00 2.77 H new ATOM 0 HG13 VAL A 6 18.556 -1.557 2.548 1.00 2.77 H new ATOM 0 HG21 VAL A 6 20.786 -1.047 0.519 1.00 2.87 H new ATOM 0 HG22 VAL A 6 21.085 -1.787 2.110 1.00 2.87 H new ATOM 0 HG23 VAL A 6 21.614 -2.619 0.628 1.00 2.87 H new ATOM 77 N LYS A 7 17.255 -4.642 2.196 1.00 1.09 N ATOM 78 CA LYS A 7 16.045 -4.873 2.982 1.00 1.10 C ATOM 79 C LYS A 7 15.554 -3.584 3.637 1.00 0.91 C ATOM 80 O LYS A 7 15.990 -3.223 4.732 1.00 0.98 O ATOM 81 CB LYS A 7 16.281 -5.953 4.041 1.00 1.37 C ATOM 82 CG LYS A 7 15.183 -7.004 4.097 1.00 1.06 C ATOM 83 CD LYS A 7 14.646 -7.172 5.508 1.00 1.05 C ATOM 84 CE LYS A 7 13.631 -6.093 5.854 1.00 1.34 C ATOM 85 NZ LYS A 7 13.723 -5.683 7.279 1.00 2.06 N ATOM 0 H LYS A 7 17.153 -4.867 1.207 1.00 1.09 H new ATOM 0 HA LYS A 7 15.270 -5.221 2.299 1.00 1.10 H new ATOM 0 HB2 LYS A 7 17.233 -6.445 3.840 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.368 -5.478 5.018 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.370 -6.719 3.429 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.571 -7.957 3.738 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.182 -8.153 5.607 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.472 -7.137 6.219 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.792 -5.225 5.215 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.626 -6.460 5.646 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.015 -4.947 7.475 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 13.544 -6.506 7.889 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 14.674 -5.309 7.472 1.00 2.06 H new ATOM 99 N PRO A 8 14.606 -2.892 2.989 1.00 0.74 N ATOM 100 CA PRO A 8 14.021 -1.666 3.525 1.00 0.60 C ATOM 101 C PRO A 8 13.244 -1.926 4.807 1.00 0.52 C ATOM 102 O PRO A 8 12.883 -3.068 5.108 1.00 0.60 O ATOM 103 CB PRO A 8 13.065 -1.189 2.425 1.00 0.61 C ATOM 104 CG PRO A 8 13.409 -1.988 1.216 1.00 0.84 C ATOM 105 CD PRO A 8 13.991 -3.280 1.714 1.00 0.81 C ATOM 0 HA PRO A 8 14.788 -0.934 3.778 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.026 -1.345 2.715 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.186 -0.122 2.237 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.524 -2.170 0.606 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.124 -1.456 0.589 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.224 -4.042 1.851 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.725 -3.687 1.019 1.00 0.81 H new ATOM 113 N ASP A 9 12.902 -0.861 5.502 1.00 0.44 N ATOM 114 CA ASP A 9 12.077 -0.974 6.691 1.00 0.48 C ATOM 115 C ASP A 9 10.615 -0.860 6.289 1.00 0.41 C ATOM 116 O ASP A 9 10.297 -0.135 5.344 1.00 0.41 O ATOM 117 CB ASP A 9 12.440 0.134 7.677 1.00 0.61 C ATOM 118 CG ASP A 9 12.008 -0.146 9.102 1.00 1.02 C ATOM 119 OD1 ASP A 9 12.211 -1.284 9.570 1.00 1.19 O ATOM 120 OD2 ASP A 9 11.428 0.749 9.749 1.00 1.53 O ATOM 0 H ASP A 9 13.181 0.091 5.266 1.00 0.44 H new ATOM 0 HA ASP A 9 12.247 -1.938 7.171 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.519 0.284 7.658 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.982 1.066 7.346 1.00 0.61 H new ATOM 125 N PRO A 10 9.718 -1.627 6.933 1.00 0.56 N ATOM 126 CA PRO A 10 8.290 -1.595 6.622 1.00 0.74 C ATOM 127 C PRO A 10 7.763 -0.165 6.528 1.00 0.67 C ATOM 128 O PRO A 10 8.152 0.692 7.326 1.00 0.97 O ATOM 129 CB PRO A 10 7.663 -2.320 7.811 1.00 1.05 C ATOM 130 CG PRO A 10 8.706 -3.288 8.245 1.00 1.12 C ATOM 131 CD PRO A 10 10.030 -2.624 7.975 1.00 0.78 C ATOM 0 HA PRO A 10 8.061 -2.051 5.659 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.408 -1.625 8.611 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.742 -2.829 7.526 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.599 -3.528 9.303 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.621 -4.225 7.695 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.431 -2.153 8.872 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.775 -3.342 7.632 1.00 0.78 H new ATOM 139 N PRO A 11 6.969 0.125 5.479 1.00 0.37 N ATOM 140 CA PRO A 11 6.459 1.466 5.196 1.00 0.38 C ATOM 141 C PRO A 11 6.016 2.214 6.447 1.00 0.28 C ATOM 142 O PRO A 11 5.453 1.627 7.376 1.00 0.35 O ATOM 143 CB PRO A 11 5.264 1.188 4.292 1.00 0.50 C ATOM 144 CG PRO A 11 5.613 -0.066 3.562 1.00 0.64 C ATOM 145 CD PRO A 11 6.601 -0.825 4.420 1.00 0.41 C ATOM 0 HA PRO A 11 7.222 2.106 4.753 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.350 1.065 4.873 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.093 2.013 3.600 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.721 -0.666 3.380 1.00 0.64 H new ATOM 0 HG3 PRO A 11 6.046 0.164 2.589 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.155 -1.729 4.834 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.473 -1.135 3.843 1.00 0.41 H new ATOM 153 N GLU A 12 6.293 3.504 6.479 1.00 0.28 N ATOM 154 CA GLU A 12 5.950 4.322 7.626 1.00 0.30 C ATOM 155 C GLU A 12 4.866 5.319 7.257 1.00 0.28 C ATOM 156 O GLU A 12 4.642 5.588 6.078 1.00 0.31 O ATOM 157 CB GLU A 12 7.192 5.050 8.139 1.00 0.47 C ATOM 158 CG GLU A 12 8.159 4.144 8.882 1.00 0.98 C ATOM 159 CD GLU A 12 8.982 4.889 9.905 1.00 1.58 C ATOM 160 OE1 GLU A 12 8.398 5.629 10.725 1.00 2.09 O ATOM 161 OE2 GLU A 12 10.222 4.745 9.896 1.00 2.11 O ATOM 0 H GLU A 12 6.755 4.008 5.722 1.00 0.28 H new ATOM 0 HA GLU A 12 5.570 3.677 8.418 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.710 5.508 7.296 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.882 5.859 8.801 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.600 3.351 9.379 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.825 3.664 8.165 1.00 0.98 H new ATOM 168 N ASN A 13 4.190 5.849 8.271 1.00 0.33 N ATOM 169 CA ASN A 13 3.130 6.838 8.072 1.00 0.37 C ATOM 170 C ASN A 13 2.030 6.284 7.168 1.00 0.32 C ATOM 171 O ASN A 13 1.495 6.991 6.317 1.00 0.35 O ATOM 172 CB ASN A 13 3.722 8.119 7.468 1.00 0.45 C ATOM 173 CG ASN A 13 2.839 9.334 7.665 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.538 9.725 8.791 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.425 9.945 6.566 1.00 1.01 N ATOM 0 H ASN A 13 4.358 5.609 9.248 1.00 0.33 H new ATOM 0 HA ASN A 13 2.686 7.070 9.040 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.696 8.309 7.918 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.888 7.967 6.401 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.833 10.773 6.635 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.698 9.588 5.650 1.00 1.01 H new ATOM 182 N VAL A 14 1.753 4.993 7.310 1.00 0.30 N ATOM 183 CA VAL A 14 0.794 4.316 6.446 1.00 0.29 C ATOM 184 C VAL A 14 -0.611 4.379 7.015 1.00 0.32 C ATOM 185 O VAL A 14 -0.847 3.979 8.156 1.00 0.47 O ATOM 186 CB VAL A 14 1.158 2.833 6.223 1.00 0.34 C ATOM 187 CG1 VAL A 14 1.009 2.464 4.762 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.564 2.535 6.708 1.00 0.69 C ATOM 0 H VAL A 14 2.180 4.394 8.016 1.00 0.30 H new ATOM 0 HA VAL A 14 0.831 4.843 5.493 1.00 0.29 H new ATOM 0 HB VAL A 14 0.467 2.225 6.807 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.270 1.415 4.623 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.023 2.626 4.449 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.672 3.085 4.160 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.792 1.483 6.538 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.276 3.154 6.162 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.635 2.754 7.773 1.00 0.69 H new ATOM 198 N VAL A 15 -1.548 4.813 6.188 1.00 0.27 N ATOM 199 CA VAL A 15 -2.947 4.851 6.568 1.00 0.35 C ATOM 200 C VAL A 15 -3.816 5.049 5.329 1.00 0.34 C ATOM 201 O VAL A 15 -3.423 5.745 4.390 1.00 0.39 O ATOM 202 CB VAL A 15 -3.224 5.960 7.626 1.00 0.43 C ATOM 203 CG1 VAL A 15 -4.108 7.078 7.084 1.00 1.34 C ATOM 204 CG2 VAL A 15 -3.844 5.350 8.875 1.00 1.48 C ATOM 0 H VAL A 15 -1.361 5.146 5.242 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.201 3.897 7.030 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.264 6.410 7.880 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -4.269 7.824 7.862 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -3.620 7.545 6.229 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -5.068 6.665 6.773 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -4.033 6.135 9.608 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -4.784 4.863 8.614 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -3.160 4.615 9.299 1.00 1.48 H new ATOM 214 N ALA A 16 -4.987 4.436 5.331 1.00 0.35 N ATOM 215 CA ALA A 16 -5.925 4.589 4.235 1.00 0.38 C ATOM 216 C ALA A 16 -7.111 5.413 4.702 1.00 0.36 C ATOM 217 O ALA A 16 -7.588 5.238 5.825 1.00 0.39 O ATOM 218 CB ALA A 16 -6.372 3.234 3.720 1.00 0.45 C ATOM 0 H ALA A 16 -5.311 3.826 6.082 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.436 5.108 3.411 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.075 3.371 2.898 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.505 2.675 3.367 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.857 2.681 4.524 1.00 0.45 H new ATOM 224 N ARG A 17 -7.520 6.369 3.890 1.00 0.37 N ATOM 225 CA ARG A 17 -8.572 7.288 4.282 1.00 0.37 C ATOM 226 C ARG A 17 -9.708 7.274 3.266 1.00 0.35 C ATOM 227 O ARG A 17 -9.476 7.263 2.057 1.00 0.48 O ATOM 228 CB ARG A 17 -8.004 8.706 4.457 1.00 0.50 C ATOM 229 CG ARG A 17 -7.556 9.367 3.165 1.00 1.21 C ATOM 230 CD ARG A 17 -6.104 9.811 3.245 1.00 1.69 C ATOM 231 NE ARG A 17 -5.979 11.209 3.652 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.303 12.128 2.970 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.648 11.798 1.864 1.00 3.37 N ATOM 234 NH2 ARG A 17 -5.271 13.379 3.407 1.00 3.99 N ATOM 0 H ARG A 17 -7.141 6.530 2.957 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.978 6.963 5.240 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -8.762 9.332 4.927 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.157 8.663 5.141 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -7.680 8.670 2.336 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -8.191 10.228 2.956 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -5.570 9.178 3.954 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -5.629 9.673 2.274 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.440 11.498 4.515 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -4.661 10.834 1.532 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -4.131 12.509 1.346 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -5.764 13.633 4.263 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.754 14.088 2.887 1.00 3.99 H new ATOM 248 N PRO A 18 -10.953 7.182 3.747 1.00 0.31 N ATOM 249 CA PRO A 18 -12.129 7.110 2.882 1.00 0.38 C ATOM 250 C PRO A 18 -12.458 8.457 2.248 1.00 0.39 C ATOM 251 O PRO A 18 -12.613 9.462 2.942 1.00 0.46 O ATOM 252 CB PRO A 18 -13.244 6.672 3.832 1.00 0.49 C ATOM 253 CG PRO A 18 -12.812 7.152 5.174 1.00 0.57 C ATOM 254 CD PRO A 18 -11.309 7.090 5.176 1.00 0.43 C ATOM 0 HA PRO A 18 -11.981 6.430 2.043 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.201 7.108 3.546 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.370 5.589 3.821 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.160 8.169 5.355 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.229 6.527 5.964 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.875 7.909 5.750 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.947 6.163 5.620 1.00 0.43 H new ATOM 262 N VAL A 19 -12.550 8.471 0.928 1.00 0.40 N ATOM 263 CA VAL A 19 -12.865 9.688 0.198 1.00 0.45 C ATOM 264 C VAL A 19 -14.377 9.842 0.066 1.00 0.48 C ATOM 265 O VAL A 19 -15.036 9.018 -0.563 1.00 0.47 O ATOM 266 CB VAL A 19 -12.221 9.684 -1.204 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.429 11.020 -1.892 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.737 9.352 -1.112 1.00 0.52 C ATOM 0 H VAL A 19 -12.410 7.650 0.339 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.458 10.529 0.759 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.707 8.913 -1.802 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -11.967 10.997 -2.879 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.497 11.214 -1.995 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.973 11.811 -1.297 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.301 9.354 -2.111 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.235 10.098 -0.495 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.612 8.366 -0.664 1.00 0.52 H new ATOM 278 N PRO A 20 -14.957 10.868 0.706 1.00 0.58 N ATOM 279 CA PRO A 20 -16.412 11.072 0.726 1.00 0.69 C ATOM 280 C PRO A 20 -16.967 11.524 -0.622 1.00 0.70 C ATOM 281 O PRO A 20 -18.180 11.644 -0.793 1.00 1.27 O ATOM 282 CB PRO A 20 -16.607 12.167 1.776 1.00 0.84 C ATOM 283 CG PRO A 20 -15.307 12.893 1.815 1.00 0.97 C ATOM 284 CD PRO A 20 -14.251 11.864 1.533 1.00 0.67 C ATOM 0 HA PRO A 20 -16.941 10.146 0.949 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -17.425 12.834 1.504 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.852 11.742 2.749 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -15.283 13.691 1.073 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -15.149 13.358 2.788 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.401 12.295 1.004 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.865 11.422 2.452 1.00 0.67 H new ATOM 292 N SER A 21 -16.079 11.805 -1.563 1.00 0.80 N ATOM 293 CA SER A 21 -16.490 12.265 -2.880 1.00 0.85 C ATOM 294 C SER A 21 -16.716 11.089 -3.830 1.00 0.65 C ATOM 295 O SER A 21 -17.399 11.226 -4.847 1.00 0.69 O ATOM 296 CB SER A 21 -15.437 13.216 -3.443 1.00 1.07 C ATOM 297 OG SER A 21 -14.523 13.607 -2.429 1.00 1.49 O ATOM 0 H SER A 21 -15.070 11.723 -1.439 1.00 0.80 H new ATOM 0 HA SER A 21 -17.437 12.796 -2.783 1.00 0.85 H new ATOM 0 HB2 SER A 21 -14.899 12.731 -4.257 1.00 1.07 H new ATOM 0 HB3 SER A 21 -15.922 14.097 -3.862 1.00 1.07 H new ATOM 0 HG SER A 21 -13.854 14.215 -2.808 1.00 1.49 H new ATOM 303 N ASN A 22 -16.202 9.918 -3.465 1.00 0.55 N ATOM 304 CA ASN A 22 -16.411 8.716 -4.254 1.00 0.44 C ATOM 305 C ASN A 22 -16.588 7.505 -3.345 1.00 0.40 C ATOM 306 O ASN A 22 -15.723 7.204 -2.525 1.00 0.43 O ATOM 307 CB ASN A 22 -15.245 8.488 -5.211 1.00 0.57 C ATOM 308 CG ASN A 22 -15.497 7.310 -6.127 1.00 0.74 C ATOM 309 OD1 ASN A 22 -16.276 7.400 -7.071 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.845 6.197 -5.851 1.00 1.28 N ATOM 0 H ASN A 22 -15.638 9.780 -2.627 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.319 8.850 -4.841 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.083 9.385 -5.808 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.333 8.316 -4.639 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.980 5.370 -6.432 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.206 6.164 -5.057 1.00 1.28 H new ATOM 317 N PRO A 23 -17.735 6.825 -3.456 1.00 0.40 N ATOM 318 CA PRO A 23 -18.109 5.706 -2.570 1.00 0.43 C ATOM 319 C PRO A 23 -17.130 4.529 -2.581 1.00 0.48 C ATOM 320 O PRO A 23 -17.185 3.666 -1.709 1.00 0.98 O ATOM 321 CB PRO A 23 -19.473 5.258 -3.113 1.00 0.56 C ATOM 322 CG PRO A 23 -19.585 5.870 -4.466 1.00 0.70 C ATOM 323 CD PRO A 23 -18.816 7.152 -4.397 1.00 0.48 C ATOM 0 HA PRO A 23 -18.114 6.033 -1.530 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.535 4.171 -3.168 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.282 5.591 -2.464 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.176 5.209 -5.230 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.627 6.052 -4.728 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.429 7.446 -5.373 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.432 7.976 -4.037 1.00 0.48 H new ATOM 331 N ARG A 24 -16.283 4.451 -3.592 1.00 0.31 N ATOM 332 CA ARG A 24 -15.368 3.324 -3.716 1.00 0.27 C ATOM 333 C ARG A 24 -13.917 3.775 -3.627 1.00 0.26 C ATOM 334 O ARG A 24 -13.000 3.011 -3.942 1.00 0.31 O ATOM 335 CB ARG A 24 -15.604 2.607 -5.044 1.00 0.35 C ATOM 336 CG ARG A 24 -16.363 1.299 -4.907 1.00 0.37 C ATOM 337 CD ARG A 24 -16.637 0.671 -6.260 1.00 0.62 C ATOM 338 NE ARG A 24 -18.067 0.510 -6.505 1.00 1.27 N ATOM 339 CZ ARG A 24 -18.573 -0.247 -7.475 1.00 2.02 C ATOM 340 NH1 ARG A 24 -17.759 -0.940 -8.266 1.00 2.44 N ATOM 341 NH2 ARG A 24 -19.887 -0.330 -7.636 1.00 2.86 N ATOM 0 H ARG A 24 -16.207 5.146 -4.334 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.562 2.640 -2.890 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.157 3.269 -5.711 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.642 2.410 -5.516 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.788 0.606 -4.293 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.306 1.477 -4.390 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.202 1.292 -7.043 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.147 -0.301 -6.315 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.717 1.007 -5.896 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -16.750 -0.890 -8.128 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -18.144 -1.521 -9.010 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.510 0.187 -7.016 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -20.274 -0.911 -8.380 1.00 2.86 H new ATOM 355 N ARG A 25 -13.711 5.030 -3.238 1.00 0.23 N ATOM 356 CA ARG A 25 -12.368 5.598 -3.212 1.00 0.26 C ATOM 357 C ARG A 25 -11.745 5.584 -1.819 1.00 0.24 C ATOM 358 O ARG A 25 -12.238 6.226 -0.887 1.00 0.24 O ATOM 359 CB ARG A 25 -12.377 7.026 -3.760 1.00 0.32 C ATOM 360 CG ARG A 25 -11.150 7.357 -4.593 1.00 0.51 C ATOM 361 CD ARG A 25 -11.377 8.586 -5.457 1.00 0.80 C ATOM 362 NE ARG A 25 -11.269 8.283 -6.884 1.00 1.32 N ATOM 363 CZ ARG A 25 -11.895 8.969 -7.842 1.00 1.71 C ATOM 364 NH1 ARG A 25 -12.599 10.054 -7.536 1.00 2.14 N ATOM 365 NH2 ARG A 25 -11.773 8.597 -9.110 1.00 2.31 N ATOM 0 H ARG A 25 -14.449 5.667 -2.939 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.752 4.963 -3.849 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.270 7.169 -4.368 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.443 7.727 -2.928 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.297 7.526 -3.935 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.900 6.507 -5.227 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.364 8.998 -5.248 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.649 9.353 -5.194 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.679 7.499 -7.164 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -12.662 10.364 -6.566 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -13.076 10.576 -8.271 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -11.201 7.788 -9.351 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -12.251 9.121 -9.843 1.00 2.31 H new ATOM 379 N LEU A 26 -10.580 4.965 -1.741 1.00 0.29 N ATOM 380 CA LEU A 26 -9.762 4.983 -0.542 1.00 0.35 C ATOM 381 C LEU A 26 -8.404 5.582 -0.871 1.00 0.39 C ATOM 382 O LEU A 26 -7.712 5.101 -1.766 1.00 0.44 O ATOM 383 CB LEU A 26 -9.562 3.569 0.007 1.00 0.44 C ATOM 384 CG LEU A 26 -10.670 3.049 0.921 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.378 1.620 1.345 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.813 3.943 2.140 1.00 0.43 C ATOM 0 H LEU A 26 -10.174 4.434 -2.511 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.271 5.582 0.213 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.459 2.884 -0.834 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.621 3.542 0.556 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.610 3.062 0.369 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -11.176 1.263 1.996 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.318 0.984 0.462 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.430 1.586 1.882 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.606 3.559 2.781 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.874 3.957 2.693 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.062 4.955 1.822 1.00 0.43 H new ATOM 398 N GLU A 27 -8.014 6.611 -0.146 1.00 0.41 N ATOM 399 CA GLU A 27 -6.711 7.217 -0.349 1.00 0.47 C ATOM 400 C GLU A 27 -5.698 6.581 0.590 1.00 0.41 C ATOM 401 O GLU A 27 -5.821 6.673 1.811 1.00 0.48 O ATOM 402 CB GLU A 27 -6.777 8.726 -0.128 1.00 0.51 C ATOM 403 CG GLU A 27 -6.031 9.528 -1.180 1.00 0.99 C ATOM 404 CD GLU A 27 -4.620 9.882 -0.754 1.00 1.26 C ATOM 405 OE1 GLU A 27 -4.251 9.575 0.402 1.00 1.63 O ATOM 406 OE2 GLU A 27 -3.870 10.446 -1.579 1.00 1.82 O ATOM 0 H GLU A 27 -8.577 7.044 0.586 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.397 7.043 -1.378 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.821 9.038 -0.118 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.366 8.959 0.854 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.994 8.957 -2.108 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -6.583 10.444 -1.392 1.00 0.99 H new ATOM 413 N VAL A 28 -4.728 5.897 0.012 1.00 0.40 N ATOM 414 CA VAL A 28 -3.699 5.221 0.780 1.00 0.38 C ATOM 415 C VAL A 28 -2.423 6.044 0.788 1.00 0.35 C ATOM 416 O VAL A 28 -1.620 5.989 -0.147 1.00 0.42 O ATOM 417 CB VAL A 28 -3.388 3.812 0.228 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.470 2.780 1.340 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.324 3.445 -0.915 1.00 0.68 C ATOM 0 H VAL A 28 -4.631 5.795 -0.998 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.082 5.111 1.795 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.372 3.822 -0.167 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.249 1.792 0.936 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.747 3.025 2.118 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.474 2.782 1.765 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.078 2.448 -1.281 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.354 3.458 -0.560 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.210 4.166 -1.724 1.00 0.68 H new ATOM 429 N THR A 29 -2.267 6.839 1.824 1.00 0.31 N ATOM 430 CA THR A 29 -1.120 7.707 1.958 1.00 0.30 C ATOM 431 C THR A 29 -0.095 7.099 2.910 1.00 0.28 C ATOM 432 O THR A 29 -0.459 6.523 3.940 1.00 0.31 O ATOM 433 CB THR A 29 -1.555 9.077 2.491 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.976 9.087 2.697 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.175 10.188 1.532 1.00 0.59 C ATOM 0 H THR A 29 -2.931 6.901 2.596 1.00 0.31 H new ATOM 0 HA THR A 29 -0.666 7.825 0.974 1.00 0.30 H new ATOM 0 HB THR A 29 -1.041 9.251 3.436 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.432 9.060 1.830 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.497 11.146 1.939 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.094 10.197 1.396 1.00 0.59 H new ATOM 0 HG23 THR A 29 -1.660 10.021 0.571 1.00 0.59 H new ATOM 443 N TRP A 30 1.181 7.243 2.577 1.00 0.27 N ATOM 444 CA TRP A 30 2.253 6.739 3.424 1.00 0.28 C ATOM 445 C TRP A 30 3.551 7.491 3.157 1.00 0.27 C ATOM 446 O TRP A 30 3.574 8.462 2.400 1.00 0.33 O ATOM 447 CB TRP A 30 2.464 5.233 3.205 1.00 0.29 C ATOM 448 CG TRP A 30 2.711 4.854 1.777 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.854 5.054 1.060 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.794 4.206 0.894 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.695 4.587 -0.217 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.443 4.058 -0.342 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.486 3.735 1.026 1.00 0.39 C ATOM 454 CZ2 TRP A 30 1.830 3.467 -1.439 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.121 3.147 -0.064 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.551 3.017 -1.283 1.00 0.46 C ATOM 0 H TRP A 30 1.499 7.705 1.725 1.00 0.27 H new ATOM 0 HA TRP A 30 1.961 6.901 4.462 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.309 4.903 3.809 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.586 4.697 3.566 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.753 5.514 1.444 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.398 4.628 -0.955 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.041 3.829 1.964 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.347 3.367 -2.382 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.133 2.781 0.026 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.048 2.551 -2.118 1.00 0.46 H new ATOM 467 N GLN A 31 4.624 7.009 3.755 1.00 0.28 N ATOM 468 CA GLN A 31 5.944 7.574 3.568 1.00 0.29 C ATOM 469 C GLN A 31 6.972 6.455 3.638 1.00 0.29 C ATOM 470 O GLN A 31 6.671 5.365 4.131 1.00 0.29 O ATOM 471 CB GLN A 31 6.224 8.624 4.647 1.00 0.32 C ATOM 472 CG GLN A 31 6.263 10.048 4.120 1.00 0.64 C ATOM 473 CD GLN A 31 6.965 10.148 2.783 1.00 0.85 C ATOM 474 OE1 GLN A 31 8.129 9.771 2.651 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.264 10.649 1.781 1.00 0.79 N ATOM 0 H GLN A 31 4.603 6.209 4.388 1.00 0.28 H new ATOM 0 HA GLN A 31 6.003 8.061 2.595 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.457 8.553 5.418 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.177 8.396 5.124 1.00 0.32 H new ATOM 0 HG2 GLN A 31 5.245 10.425 4.022 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.771 10.687 4.843 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.301 10.950 1.932 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.686 10.735 0.856 1.00 0.79 H new ATOM 484 N THR A 32 8.186 6.719 3.190 1.00 0.34 N ATOM 485 CA THR A 32 9.238 5.727 3.299 1.00 0.36 C ATOM 486 C THR A 32 9.699 5.634 4.745 1.00 0.41 C ATOM 487 O THR A 32 9.539 6.587 5.511 1.00 0.49 O ATOM 488 CB THR A 32 10.448 6.062 2.410 1.00 0.42 C ATOM 489 OG1 THR A 32 10.764 7.456 2.528 1.00 0.49 O ATOM 490 CG2 THR A 32 10.163 5.726 0.955 1.00 0.49 C ATOM 0 H THR A 32 8.465 7.598 2.754 1.00 0.34 H new ATOM 0 HA THR A 32 8.826 4.776 2.962 1.00 0.36 H new ATOM 0 HB THR A 32 11.295 5.463 2.744 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.536 7.665 1.962 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.034 5.972 0.347 1.00 0.49 H new ATOM 0 HG22 THR A 32 9.945 4.662 0.863 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.305 6.303 0.610 1.00 0.49 H new ATOM 498 N PRO A 33 10.297 4.505 5.135 1.00 0.39 N ATOM 499 CA PRO A 33 10.824 4.322 6.487 1.00 0.46 C ATOM 500 C PRO A 33 11.869 5.381 6.832 1.00 0.56 C ATOM 501 O PRO A 33 12.517 5.937 5.942 1.00 0.60 O ATOM 502 CB PRO A 33 11.469 2.935 6.434 1.00 0.46 C ATOM 503 CG PRO A 33 11.697 2.672 4.985 1.00 0.42 C ATOM 504 CD PRO A 33 10.555 3.334 4.282 1.00 0.35 C ATOM 0 HA PRO A 33 10.050 4.413 7.249 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.405 2.913 6.991 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.818 2.180 6.875 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.652 3.081 4.656 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.720 1.602 4.778 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.817 3.622 3.264 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.685 2.681 4.215 1.00 0.35 H new ATOM 512 N SER A 34 12.026 5.663 8.117 1.00 0.66 N ATOM 513 CA SER A 34 12.970 6.677 8.573 1.00 0.80 C ATOM 514 C SER A 34 14.415 6.270 8.271 1.00 0.86 C ATOM 515 O SER A 34 15.318 7.108 8.257 1.00 0.96 O ATOM 516 CB SER A 34 12.784 6.926 10.070 1.00 0.92 C ATOM 517 OG SER A 34 11.408 7.053 10.393 1.00 1.02 O ATOM 0 H SER A 34 11.510 5.202 8.867 1.00 0.66 H new ATOM 0 HA SER A 34 12.768 7.600 8.030 1.00 0.80 H new ATOM 0 HB2 SER A 34 13.221 6.104 10.637 1.00 0.92 H new ATOM 0 HB3 SER A 34 13.316 7.832 10.361 1.00 0.92 H new ATOM 0 HG SER A 34 11.038 6.170 10.602 1.00 1.02 H new ATOM 523 N THR A 35 14.616 4.997 7.954 1.00 0.82 N ATOM 524 CA THR A 35 15.927 4.498 7.578 1.00 0.91 C ATOM 525 C THR A 35 16.319 4.997 6.189 1.00 0.92 C ATOM 526 O THR A 35 17.492 5.242 5.912 1.00 1.11 O ATOM 527 CB THR A 35 15.935 2.965 7.580 1.00 0.89 C ATOM 528 OG1 THR A 35 14.585 2.487 7.643 1.00 0.85 O ATOM 529 CG2 THR A 35 16.731 2.421 8.757 1.00 1.08 C ATOM 0 H THR A 35 13.881 4.290 7.951 1.00 0.82 H new ATOM 0 HA THR A 35 16.647 4.868 8.308 1.00 0.91 H new ATOM 0 HB THR A 35 16.411 2.618 6.663 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.423 2.080 8.520 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.719 1.331 8.732 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.760 2.774 8.694 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.285 2.767 9.689 1.00 1.08 H new ATOM 537 N TRP A 36 15.319 5.182 5.334 1.00 0.80 N ATOM 538 CA TRP A 36 15.540 5.673 3.981 1.00 0.83 C ATOM 539 C TRP A 36 15.607 7.195 3.965 1.00 1.00 C ATOM 540 O TRP A 36 14.652 7.867 4.352 1.00 1.09 O ATOM 541 CB TRP A 36 14.422 5.195 3.053 1.00 0.74 C ATOM 542 CG TRP A 36 14.885 4.906 1.661 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.668 5.669 0.549 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.641 3.769 1.227 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.237 5.074 -0.549 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.843 3.907 -0.158 1.00 0.98 C ATOM 547 CE3 TRP A 36 16.165 2.650 1.875 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.546 2.965 -0.906 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.863 1.716 1.133 1.00 1.14 C ATOM 550 CH2 TRP A 36 17.048 1.879 -0.244 1.00 1.21 C ATOM 0 H TRP A 36 14.341 4.997 5.558 1.00 0.80 H new ATOM 0 HA TRP A 36 16.492 5.277 3.627 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.973 4.295 3.472 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.641 5.954 3.017 1.00 0.74 H new ATOM 0 HD1 TRP A 36 14.128 6.604 0.536 1.00 0.86 H new ATOM 0 HE1 TRP A 36 15.213 5.440 -1.501 1.00 0.97 H new ATOM 0 HE3 TRP A 36 16.028 2.516 2.938 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.689 3.088 -1.969 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.272 0.846 1.624 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.599 1.132 -0.796 1.00 1.21 H new ATOM 561 N PRO A 37 16.760 7.756 3.577 1.00 1.20 N ATOM 562 CA PRO A 37 16.968 9.199 3.544 1.00 1.44 C ATOM 563 C PRO A 37 16.423 9.825 2.262 1.00 1.34 C ATOM 564 O PRO A 37 15.318 10.365 2.246 1.00 1.49 O ATOM 565 CB PRO A 37 18.498 9.352 3.612 1.00 1.76 C ATOM 566 CG PRO A 37 19.054 7.961 3.695 1.00 1.78 C ATOM 567 CD PRO A 37 17.977 7.040 3.200 1.00 1.34 C ATOM 0 HA PRO A 37 16.447 9.705 4.357 1.00 1.44 H new ATOM 0 HB2 PRO A 37 18.877 9.871 2.731 1.00 1.76 H new ATOM 0 HB3 PRO A 37 18.792 9.941 4.480 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.954 7.866 3.088 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.333 7.716 4.720 1.00 1.78 H new ATOM 0 HD2 PRO A 37 18.039 6.882 2.123 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.034 6.058 3.670 1.00 1.34 H new ATOM 575 N ASP A 38 17.209 9.741 1.194 1.00 1.33 N ATOM 576 CA ASP A 38 16.831 10.292 -0.104 1.00 1.35 C ATOM 577 C ASP A 38 16.102 9.242 -0.941 1.00 1.29 C ATOM 578 O ASP A 38 16.717 8.307 -1.452 1.00 1.42 O ATOM 579 CB ASP A 38 18.087 10.774 -0.837 1.00 1.65 C ATOM 580 CG ASP A 38 17.802 11.486 -2.150 1.00 1.90 C ATOM 581 OD1 ASP A 38 16.661 11.423 -2.649 1.00 2.16 O ATOM 582 OD2 ASP A 38 18.733 12.110 -2.696 1.00 2.28 O ATOM 0 H ASP A 38 18.124 9.290 1.203 1.00 1.33 H new ATOM 0 HA ASP A 38 16.156 11.134 0.050 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.641 11.448 -0.183 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.732 9.918 -1.033 1.00 1.65 H new ATOM 587 N PRO A 39 14.778 9.380 -1.099 1.00 1.31 N ATOM 588 CA PRO A 39 13.973 8.436 -1.867 1.00 1.44 C ATOM 589 C PRO A 39 13.927 8.772 -3.359 1.00 1.61 C ATOM 590 O PRO A 39 13.263 8.089 -4.139 1.00 1.84 O ATOM 591 CB PRO A 39 12.593 8.589 -1.237 1.00 1.62 C ATOM 592 CG PRO A 39 12.531 10.015 -0.800 1.00 1.69 C ATOM 593 CD PRO A 39 13.950 10.452 -0.517 1.00 1.44 C ATOM 0 HA PRO A 39 14.375 7.423 -1.830 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.804 8.360 -1.953 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.466 7.911 -0.393 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.083 10.637 -1.575 1.00 1.69 H new ATOM 0 HG3 PRO A 39 11.911 10.119 0.090 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.169 11.417 -0.974 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.129 10.558 0.553 1.00 1.44 H new ATOM 601 N GLU A 40 14.653 9.811 -3.754 1.00 1.57 N ATOM 602 CA GLU A 40 14.711 10.214 -5.150 1.00 1.76 C ATOM 603 C GLU A 40 15.933 9.607 -5.822 1.00 1.76 C ATOM 604 O GLU A 40 15.826 8.953 -6.860 1.00 1.90 O ATOM 605 CB GLU A 40 14.739 11.737 -5.269 1.00 1.90 C ATOM 606 CG GLU A 40 13.367 12.353 -5.483 1.00 2.12 C ATOM 607 CD GLU A 40 12.491 12.275 -4.250 1.00 2.36 C ATOM 608 OE1 GLU A 40 12.863 12.869 -3.215 1.00 2.63 O ATOM 609 OE2 GLU A 40 11.419 11.637 -4.313 1.00 2.91 O ATOM 0 H GLU A 40 15.210 10.389 -3.125 1.00 1.57 H new ATOM 0 HA GLU A 40 13.817 9.847 -5.654 1.00 1.76 H new ATOM 0 HB2 GLU A 40 15.180 12.156 -4.365 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.388 12.017 -6.099 1.00 1.90 H new ATOM 0 HG2 GLU A 40 13.484 13.397 -5.775 1.00 2.12 H new ATOM 0 HG3 GLU A 40 12.870 11.844 -6.309 1.00 2.12 H new ATOM 616 N SER A 41 17.089 9.771 -5.190 1.00 1.67 N ATOM 617 CA SER A 41 18.323 9.192 -5.704 1.00 1.75 C ATOM 618 C SER A 41 18.370 7.692 -5.419 1.00 1.63 C ATOM 619 O SER A 41 18.993 6.929 -6.159 1.00 1.67 O ATOM 620 CB SER A 41 19.532 9.896 -5.087 1.00 1.82 C ATOM 621 OG SER A 41 19.355 11.304 -5.093 1.00 1.89 O ATOM 0 H SER A 41 17.197 10.298 -4.324 1.00 1.67 H new ATOM 0 HA SER A 41 18.352 9.334 -6.784 1.00 1.75 H new ATOM 0 HB2 SER A 41 19.678 9.548 -4.064 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.432 9.636 -5.644 1.00 1.82 H new ATOM 0 HG SER A 41 19.516 11.658 -4.193 1.00 1.89 H new ATOM 627 N PHE A 42 17.622 7.266 -4.408 1.00 1.51 N ATOM 628 CA PHE A 42 17.483 5.849 -4.096 1.00 1.41 C ATOM 629 C PHE A 42 16.026 5.433 -4.287 1.00 1.27 C ATOM 630 O PHE A 42 15.182 5.694 -3.427 1.00 1.40 O ATOM 631 CB PHE A 42 17.934 5.561 -2.660 1.00 1.58 C ATOM 632 CG PHE A 42 19.298 6.095 -2.322 1.00 2.08 C ATOM 633 CD1 PHE A 42 20.394 5.789 -3.113 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.485 6.900 -1.210 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.647 6.278 -2.802 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.736 7.393 -0.896 1.00 3.01 C ATOM 637 CZ PHE A 42 21.819 7.080 -1.691 1.00 3.32 C ATOM 0 H PHE A 42 17.100 7.885 -3.788 1.00 1.51 H new ATOM 0 HA PHE A 42 18.118 5.273 -4.769 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.207 5.990 -1.970 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.928 4.483 -2.499 1.00 1.58 H new ATOM 0 HD1 PHE A 42 20.266 5.161 -3.982 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.642 7.145 -0.581 1.00 2.38 H new ATOM 0 HE1 PHE A 42 22.493 6.033 -3.428 1.00 3.12 H new ATOM 0 HE2 PHE A 42 20.866 8.023 -0.029 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.799 7.461 -1.445 1.00 3.32 H new ATOM 647 N PRO A 43 15.687 4.942 -5.488 1.00 1.24 N ATOM 648 CA PRO A 43 14.297 4.673 -5.876 1.00 1.33 C ATOM 649 C PRO A 43 13.711 3.410 -5.249 1.00 1.26 C ATOM 650 O PRO A 43 13.689 2.344 -5.871 1.00 1.97 O ATOM 651 CB PRO A 43 14.374 4.522 -7.397 1.00 1.58 C ATOM 652 CG PRO A 43 15.774 4.097 -7.667 1.00 1.75 C ATOM 653 CD PRO A 43 16.617 4.766 -6.619 1.00 1.40 C ATOM 0 HA PRO A 43 13.638 5.471 -5.533 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.660 3.782 -7.758 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.142 5.461 -7.900 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.870 3.013 -7.612 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.086 4.395 -8.668 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.474 4.152 -6.342 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.009 5.721 -6.969 1.00 1.40 H new ATOM 661 N LEU A 44 13.096 3.571 -4.089 1.00 0.98 N ATOM 662 CA LEU A 44 12.387 2.475 -3.447 1.00 0.82 C ATOM 663 C LEU A 44 11.000 2.308 -4.068 1.00 0.78 C ATOM 664 O LEU A 44 10.332 3.293 -4.394 1.00 0.98 O ATOM 665 CB LEU A 44 12.260 2.728 -1.943 1.00 0.83 C ATOM 666 CG LEU A 44 12.178 1.472 -1.076 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.131 1.576 0.098 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.757 1.253 -0.585 1.00 1.29 C ATOM 0 H LEU A 44 13.073 4.450 -3.572 1.00 0.98 H new ATOM 0 HA LEU A 44 12.956 1.558 -3.600 1.00 0.82 H new ATOM 0 HB2 LEU A 44 13.115 3.320 -1.617 1.00 0.83 H new ATOM 0 HB3 LEU A 44 11.369 3.331 -1.766 1.00 0.83 H new ATOM 0 HG LEU A 44 12.468 0.616 -1.685 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.060 0.674 0.705 1.00 1.54 H new ATOM 0 HD12 LEU A 44 14.151 1.687 -0.270 1.00 1.54 H new ATOM 0 HD13 LEU A 44 12.868 2.443 0.704 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.719 0.354 0.030 1.00 1.29 H new ATOM 0 HD22 LEU A 44 10.440 2.112 0.007 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.091 1.136 -1.440 1.00 1.29 H new ATOM 680 N LYS A 45 10.555 1.069 -4.200 1.00 0.70 N ATOM 681 CA LYS A 45 9.231 0.788 -4.729 1.00 0.68 C ATOM 682 C LYS A 45 8.409 0.014 -3.709 1.00 0.60 C ATOM 683 O LYS A 45 8.923 -0.860 -3.009 1.00 0.76 O ATOM 684 CB LYS A 45 9.305 -0.001 -6.044 1.00 0.78 C ATOM 685 CG LYS A 45 10.492 -0.947 -6.143 1.00 1.13 C ATOM 686 CD LYS A 45 10.337 -1.914 -7.307 1.00 1.25 C ATOM 687 CE LYS A 45 10.684 -1.249 -8.630 1.00 1.41 C ATOM 688 NZ LYS A 45 9.861 -1.773 -9.749 1.00 1.75 N ATOM 0 H LYS A 45 11.093 0.240 -3.947 1.00 0.70 H new ATOM 0 HA LYS A 45 8.748 1.743 -4.934 1.00 0.68 H new ATOM 0 HB2 LYS A 45 8.387 -0.576 -6.161 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.347 0.704 -6.875 1.00 0.78 H new ATOM 0 HG2 LYS A 45 11.409 -0.371 -6.267 1.00 1.13 H new ATOM 0 HG3 LYS A 45 10.591 -1.507 -5.213 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.982 -2.779 -7.152 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.312 -2.283 -7.341 1.00 1.25 H new ATOM 0 HE2 LYS A 45 10.536 -0.172 -8.544 1.00 1.41 H new ATOM 0 HE3 LYS A 45 11.739 -1.409 -8.850 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 10.479 -2.023 -10.547 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.344 -2.619 -9.434 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 9.182 -1.045 -10.051 1.00 1.75 H new ATOM 702 N PHE A 46 7.135 0.342 -3.627 1.00 0.46 N ATOM 703 CA PHE A 46 6.236 -0.335 -2.713 1.00 0.41 C ATOM 704 C PHE A 46 5.342 -1.299 -3.480 1.00 0.44 C ATOM 705 O PHE A 46 5.068 -1.098 -4.664 1.00 0.58 O ATOM 706 CB PHE A 46 5.382 0.682 -1.951 1.00 0.42 C ATOM 707 CG PHE A 46 6.165 1.564 -1.022 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.652 1.069 0.177 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.415 2.885 -1.349 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.375 1.878 1.033 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.137 3.699 -0.498 1.00 0.48 C ATOM 712 CZ PHE A 46 7.607 3.197 0.701 1.00 0.47 C ATOM 0 H PHE A 46 6.698 1.076 -4.184 1.00 0.46 H new ATOM 0 HA PHE A 46 6.830 -0.898 -1.993 1.00 0.41 H new ATOM 0 HB2 PHE A 46 4.853 1.308 -2.670 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.625 0.148 -1.376 1.00 0.42 H new ATOM 0 HD1 PHE A 46 6.465 0.040 0.446 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.041 3.284 -2.280 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.758 1.478 1.960 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.334 4.726 -0.769 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.155 3.836 1.377 1.00 0.47 H new ATOM 722 N PHE A 47 4.884 -2.335 -2.801 1.00 0.40 N ATOM 723 CA PHE A 47 3.994 -3.315 -3.405 1.00 0.44 C ATOM 724 C PHE A 47 2.709 -3.396 -2.612 1.00 0.39 C ATOM 725 O PHE A 47 2.731 -3.670 -1.415 1.00 0.59 O ATOM 726 CB PHE A 47 4.658 -4.691 -3.459 1.00 0.55 C ATOM 727 CG PHE A 47 5.989 -4.680 -4.143 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.068 -4.624 -5.522 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.162 -4.737 -3.409 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.289 -4.623 -6.157 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.389 -4.739 -4.042 1.00 0.75 C ATOM 732 CZ PHE A 47 8.460 -4.638 -5.402 1.00 0.73 C ATOM 0 H PHE A 47 5.114 -2.522 -1.825 1.00 0.40 H new ATOM 0 HA PHE A 47 3.773 -2.999 -4.425 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.782 -5.067 -2.443 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.997 -5.386 -3.977 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.162 -4.581 -6.108 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.117 -4.780 -2.331 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.339 -4.611 -7.236 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.295 -4.821 -3.460 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.421 -4.570 -5.891 1.00 0.73 H new ATOM 742 N LEU A 48 1.604 -3.077 -3.253 1.00 0.33 N ATOM 743 CA LEU A 48 0.333 -3.044 -2.563 1.00 0.35 C ATOM 744 C LEU A 48 -0.602 -4.126 -3.063 1.00 0.35 C ATOM 745 O LEU A 48 -0.567 -4.515 -4.232 1.00 0.57 O ATOM 746 CB LEU A 48 -0.334 -1.681 -2.728 1.00 0.44 C ATOM 747 CG LEU A 48 -1.231 -1.260 -1.566 1.00 0.72 C ATOM 748 CD1 LEU A 48 -0.459 -0.402 -0.583 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.451 -0.517 -2.078 1.00 1.05 C ATOM 0 H LEU A 48 1.560 -2.839 -4.244 1.00 0.33 H new ATOM 0 HA LEU A 48 0.536 -3.224 -1.507 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.442 -0.927 -2.861 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.928 -1.692 -3.642 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.568 -2.158 -1.048 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.114 -0.111 0.238 1.00 1.02 H new ATOM 0 HD12 LEU A 48 0.386 -0.968 -0.191 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.093 0.491 -1.089 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.079 -0.225 -1.236 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.134 0.374 -2.620 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -3.018 -1.165 -2.746 1.00 1.05 H new ATOM 761 N ARG A 49 -1.487 -4.543 -2.180 1.00 0.26 N ATOM 762 CA ARG A 49 -2.541 -5.480 -2.508 1.00 0.27 C ATOM 763 C ARG A 49 -3.727 -5.214 -1.598 1.00 0.24 C ATOM 764 O ARG A 49 -3.563 -5.098 -0.386 1.00 0.30 O ATOM 765 CB ARG A 49 -2.070 -6.932 -2.355 1.00 0.34 C ATOM 766 CG ARG A 49 -1.091 -7.151 -1.211 1.00 0.44 C ATOM 767 CD ARG A 49 0.117 -7.965 -1.645 1.00 0.75 C ATOM 768 NE ARG A 49 -0.233 -9.349 -1.966 1.00 1.07 N ATOM 769 CZ ARG A 49 -0.124 -9.881 -3.183 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.417 -9.177 -4.171 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.512 -11.131 -3.400 1.00 2.02 N ATOM 0 H ARG A 49 -1.494 -4.238 -1.207 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.827 -5.340 -3.550 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.940 -7.570 -2.202 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.601 -7.250 -3.286 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.759 -6.186 -0.828 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.598 -7.662 -0.393 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.574 -7.497 -2.517 1.00 0.75 H new ATOM 0 HD3 ARG A 49 0.863 -7.956 -0.850 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.581 -9.942 -1.213 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.750 -8.228 -3.999 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.500 -9.585 -5.102 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.894 -11.686 -2.635 1.00 2.02 H new ATOM 0 HH22 ARG A 49 -0.428 -11.537 -4.332 1.00 2.02 H new ATOM 785 N TYR A 50 -4.899 -5.027 -2.179 1.00 0.26 N ATOM 786 CA TYR A 50 -6.075 -4.699 -1.391 1.00 0.27 C ATOM 787 C TYR A 50 -7.162 -5.752 -1.566 1.00 0.28 C ATOM 788 O TYR A 50 -7.872 -5.777 -2.570 1.00 0.36 O ATOM 789 CB TYR A 50 -6.609 -3.296 -1.728 1.00 0.35 C ATOM 790 CG TYR A 50 -6.484 -2.882 -3.184 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.280 -2.409 -3.700 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.581 -2.939 -4.034 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.175 -2.014 -5.021 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.483 -2.541 -5.354 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.280 -2.080 -5.843 1.00 0.90 C ATOM 796 OH TYR A 50 -6.184 -1.681 -7.158 1.00 1.13 O ATOM 0 H TYR A 50 -5.062 -5.096 -3.184 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.775 -4.693 -0.343 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.660 -3.248 -1.444 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -6.079 -2.567 -1.114 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.414 -2.350 -3.058 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.526 -3.300 -3.657 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.232 -1.656 -5.407 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.347 -2.591 -6.000 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.053 -1.793 -7.598 1.00 1.13 H new ATOM 806 N ARG A 51 -7.229 -6.663 -0.607 1.00 0.29 N ATOM 807 CA ARG A 51 -8.197 -7.754 -0.635 1.00 0.34 C ATOM 808 C ARG A 51 -9.478 -7.370 0.095 1.00 0.29 C ATOM 809 O ARG A 51 -9.437 -6.955 1.254 1.00 0.33 O ATOM 810 CB ARG A 51 -7.598 -9.007 0.016 1.00 0.46 C ATOM 811 CG ARG A 51 -8.218 -10.313 -0.454 1.00 0.64 C ATOM 812 CD ARG A 51 -8.349 -11.308 0.690 1.00 1.25 C ATOM 813 NE ARG A 51 -7.272 -12.301 0.681 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.278 -12.341 1.571 1.00 2.29 C ATOM 815 NH1 ARG A 51 -6.241 -11.476 2.575 1.00 2.62 N ATOM 816 NH2 ARG A 51 -5.330 -13.267 1.466 1.00 3.10 N ATOM 0 H ARG A 51 -6.618 -6.669 0.210 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.438 -7.961 -1.678 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.528 -9.032 -0.189 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.714 -8.931 1.097 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.201 -10.118 -0.883 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.605 -10.745 -1.245 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.340 -10.772 1.639 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.311 -11.816 0.620 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.282 -13.008 -0.054 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -6.975 -10.774 2.671 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -5.479 -11.512 3.252 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.363 -13.946 0.706 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -4.570 -13.298 2.146 1.00 3.10 H new ATOM 830 N PRO A 52 -10.639 -7.615 -0.525 1.00 0.32 N ATOM 831 CA PRO A 52 -11.921 -7.460 0.152 1.00 0.38 C ATOM 832 C PRO A 52 -12.107 -8.558 1.193 1.00 0.44 C ATOM 833 O PRO A 52 -11.761 -9.714 0.944 1.00 0.51 O ATOM 834 CB PRO A 52 -12.937 -7.610 -0.979 1.00 0.52 C ATOM 835 CG PRO A 52 -12.260 -8.481 -1.983 1.00 0.65 C ATOM 836 CD PRO A 52 -10.788 -8.182 -1.880 1.00 0.45 C ATOM 0 HA PRO A 52 -12.015 -6.514 0.686 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.863 -8.062 -0.623 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.199 -6.642 -1.407 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.458 -9.534 -1.780 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.629 -8.275 -2.988 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.187 -9.083 -2.005 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.468 -7.476 -2.647 1.00 0.45 H new ATOM 844 N LEU A 53 -12.558 -8.194 2.386 1.00 0.50 N ATOM 845 CA LEU A 53 -12.668 -9.152 3.484 1.00 0.65 C ATOM 846 C LEU A 53 -13.856 -10.098 3.300 1.00 0.81 C ATOM 847 O LEU A 53 -14.573 -10.403 4.254 1.00 1.22 O ATOM 848 CB LEU A 53 -12.790 -8.414 4.817 1.00 0.70 C ATOM 849 CG LEU A 53 -11.627 -8.632 5.782 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.370 -7.951 5.265 1.00 1.32 C ATOM 851 CD2 LEU A 53 -11.987 -8.112 7.163 1.00 1.40 C ATOM 0 H LEU A 53 -12.853 -7.246 2.620 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.761 -9.756 3.484 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -12.882 -7.346 4.617 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.712 -8.727 5.306 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.430 -9.702 5.854 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.552 -8.117 5.966 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.105 -8.366 4.293 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -10.551 -6.881 5.165 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.150 -8.273 7.842 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.207 -7.046 7.104 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -12.863 -8.643 7.535 1.00 1.40 H new ATOM 863 N ILE A 54 -14.014 -10.606 2.084 1.00 0.85 N ATOM 864 CA ILE A 54 -15.069 -11.555 1.761 1.00 1.01 C ATOM 865 C ILE A 54 -14.600 -12.546 0.702 1.00 1.08 C ATOM 866 O ILE A 54 -15.114 -13.660 0.609 1.00 1.34 O ATOM 867 CB ILE A 54 -16.331 -10.851 1.228 1.00 1.16 C ATOM 868 CG1 ILE A 54 -15.947 -9.667 0.335 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.218 -10.401 2.379 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.835 -9.511 -0.879 1.00 1.46 C ATOM 0 H ILE A 54 -13.413 -10.371 1.294 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.310 -12.075 2.688 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.896 -11.561 0.625 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -15.987 -8.751 0.924 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -14.915 -9.790 0.006 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.105 -9.906 1.983 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.519 -11.268 2.967 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.667 -9.706 3.013 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.504 -8.653 -1.464 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.777 -10.412 -1.490 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.865 -9.356 -0.559 1.00 1.46 H new ATOM 882 N LEU A 55 -13.662 -12.114 -0.133 1.00 0.95 N ATOM 883 CA LEU A 55 -13.173 -12.940 -1.222 1.00 1.10 C ATOM 884 C LEU A 55 -11.667 -12.802 -1.349 1.00 1.12 C ATOM 885 O LEU A 55 -11.108 -11.737 -1.085 1.00 1.51 O ATOM 886 CB LEU A 55 -13.845 -12.534 -2.536 1.00 1.25 C ATOM 887 CG LEU A 55 -14.603 -13.651 -3.255 1.00 1.48 C ATOM 888 CD1 LEU A 55 -16.019 -13.206 -3.585 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.867 -14.064 -4.522 1.00 2.11 C ATOM 0 H LEU A 55 -13.226 -11.194 -0.073 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.416 -13.980 -1.006 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -14.539 -11.719 -2.333 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -13.082 -12.143 -3.209 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.658 -14.513 -2.591 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.544 -14.013 -4.096 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -16.546 -12.956 -2.664 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.983 -12.329 -4.232 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -14.420 -14.860 -5.021 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.783 -13.207 -5.190 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -12.870 -14.422 -4.264 1.00 2.11 H new ATOM 901 N ASP A 56 -11.014 -13.869 -1.768 1.00 1.38 N ATOM 902 CA ASP A 56 -9.570 -13.859 -1.933 1.00 1.54 C ATOM 903 C ASP A 56 -9.189 -13.289 -3.291 1.00 1.19 C ATOM 904 O ASP A 56 -8.784 -14.017 -4.199 1.00 1.44 O ATOM 905 CB ASP A 56 -8.983 -15.262 -1.768 1.00 2.08 C ATOM 906 CG ASP A 56 -7.476 -15.230 -1.616 1.00 2.58 C ATOM 907 OD1 ASP A 56 -6.980 -14.658 -0.623 1.00 2.90 O ATOM 908 OD2 ASP A 56 -6.779 -15.793 -2.485 1.00 2.89 O ATOM 0 H ASP A 56 -11.460 -14.756 -2.001 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.153 -13.221 -1.154 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.426 -15.740 -0.894 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.248 -15.870 -2.633 1.00 2.08 H new ATOM 913 N GLN A 57 -9.343 -11.984 -3.426 1.00 0.83 N ATOM 914 CA GLN A 57 -9.005 -11.293 -4.660 1.00 0.93 C ATOM 915 C GLN A 57 -7.837 -10.340 -4.429 1.00 0.79 C ATOM 916 O GLN A 57 -8.026 -9.126 -4.326 1.00 0.82 O ATOM 917 CB GLN A 57 -10.214 -10.518 -5.186 1.00 1.30 C ATOM 918 CG GLN A 57 -11.141 -11.346 -6.060 1.00 1.81 C ATOM 919 CD GLN A 57 -12.596 -10.960 -5.886 1.00 2.19 C ATOM 920 OE1 GLN A 57 -12.990 -10.438 -4.844 1.00 2.89 O ATOM 921 NE2 GLN A 57 -13.402 -11.212 -6.902 1.00 2.43 N ATOM 0 H GLN A 57 -9.703 -11.376 -2.690 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.714 -12.036 -5.403 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.780 -10.128 -4.340 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.862 -9.659 -5.757 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -10.857 -11.222 -7.105 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -11.017 -12.402 -5.819 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -13.035 -11.646 -7.749 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -14.391 -10.972 -6.840 1.00 2.43 H new ATOM 930 N TRP A 58 -6.639 -10.900 -4.297 1.00 0.73 N ATOM 931 CA TRP A 58 -5.448 -10.103 -4.065 1.00 0.63 C ATOM 932 C TRP A 58 -5.180 -9.198 -5.254 1.00 0.67 C ATOM 933 O TRP A 58 -4.982 -9.670 -6.375 1.00 0.76 O ATOM 934 CB TRP A 58 -4.234 -10.997 -3.804 1.00 0.71 C ATOM 935 CG TRP A 58 -3.875 -11.103 -2.356 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.341 -12.185 -1.717 1.00 0.85 C ATOM 937 CD2 TRP A 58 -4.022 -10.085 -1.363 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.142 -11.894 -0.390 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.554 -10.611 -0.149 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.501 -8.777 -1.386 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.552 -9.870 1.030 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.499 -8.049 -0.220 1.00 0.39 C ATOM 943 CH2 TRP A 58 -4.029 -8.592 0.971 1.00 0.49 C ATOM 0 H TRP A 58 -6.471 -11.905 -4.347 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.619 -9.488 -3.181 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.436 -11.994 -4.195 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -3.379 -10.606 -4.355 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.109 -13.130 -2.186 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.751 -12.531 0.304 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.868 -8.342 -2.304 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.187 -10.290 1.956 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.870 -7.035 -0.229 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -4.042 -7.990 1.868 1.00 0.49 H new ATOM 954 N GLN A 59 -5.260 -7.901 -5.020 1.00 0.70 N ATOM 955 CA GLN A 59 -5.108 -6.930 -6.092 1.00 0.79 C ATOM 956 C GLN A 59 -3.743 -6.266 -6.017 1.00 0.95 C ATOM 957 O GLN A 59 -3.534 -5.335 -5.245 1.00 1.64 O ATOM 958 CB GLN A 59 -6.224 -5.892 -6.020 1.00 1.06 C ATOM 959 CG GLN A 59 -7.371 -6.177 -6.976 1.00 1.36 C ATOM 960 CD GLN A 59 -8.727 -5.856 -6.380 1.00 1.68 C ATOM 961 OE1 GLN A 59 -9.338 -4.848 -6.719 1.00 2.39 O ATOM 962 NE2 GLN A 59 -9.206 -6.709 -5.489 1.00 2.14 N ATOM 0 H GLN A 59 -5.429 -7.495 -4.100 1.00 0.70 H new ATOM 0 HA GLN A 59 -5.179 -7.446 -7.049 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -6.610 -5.853 -5.001 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -5.811 -4.908 -6.242 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -7.232 -5.594 -7.886 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -7.345 -7.228 -7.264 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -8.667 -7.536 -5.234 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -10.115 -6.539 -5.058 1.00 2.14 H new ATOM 971 N HIS A 60 -2.809 -6.811 -6.779 1.00 0.80 N ATOM 972 CA HIS A 60 -1.427 -6.349 -6.775 1.00 1.11 C ATOM 973 C HIS A 60 -1.276 -5.062 -7.579 1.00 0.88 C ATOM 974 O HIS A 60 -1.819 -4.940 -8.675 1.00 1.12 O ATOM 975 CB HIS A 60 -0.523 -7.451 -7.354 1.00 1.75 C ATOM 976 CG HIS A 60 0.863 -7.007 -7.735 1.00 1.87 C ATOM 977 ND1 HIS A 60 1.169 -6.436 -8.954 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.027 -7.070 -7.053 1.00 2.11 C ATOM 979 CE1 HIS A 60 2.462 -6.173 -8.999 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.007 -6.546 -7.858 1.00 2.58 N ATOM 0 H HIS A 60 -2.985 -7.586 -7.418 1.00 0.80 H new ATOM 0 HA HIS A 60 -1.130 -6.134 -5.748 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -0.442 -8.254 -6.622 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -1.008 -7.871 -8.235 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.162 -7.462 -6.056 1.00 2.11 H new ATOM 0 HE1 HIS A 60 2.986 -5.727 -9.831 1.00 2.81 H new ATOM 0 HE2 HIS A 60 3.994 -6.459 -7.614 1.00 2.58 H new ATOM 989 N VAL A 61 -0.472 -4.146 -7.061 1.00 0.60 N ATOM 990 CA VAL A 61 -0.150 -2.913 -7.760 1.00 0.59 C ATOM 991 C VAL A 61 1.242 -2.433 -7.349 1.00 0.51 C ATOM 992 O VAL A 61 1.584 -2.432 -6.162 1.00 0.55 O ATOM 993 CB VAL A 61 -1.200 -1.804 -7.494 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.387 -1.569 -6.005 1.00 1.32 C ATOM 995 CG2 VAL A 61 -0.820 -0.510 -8.200 1.00 1.48 C ATOM 0 H VAL A 61 -0.026 -4.236 -6.148 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.164 -3.123 -8.829 1.00 0.59 H new ATOM 0 HB VAL A 61 -2.151 -2.146 -7.902 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -2.129 -0.786 -5.851 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -1.727 -2.490 -5.531 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.439 -1.262 -5.563 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -1.574 0.251 -7.996 1.00 1.48 H new ATOM 0 HG22 VAL A 61 0.149 -0.168 -7.836 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -0.762 -0.685 -9.274 1.00 1.48 H new ATOM 1005 N GLU A 62 2.069 -2.115 -8.336 1.00 0.81 N ATOM 1006 CA GLU A 62 3.436 -1.679 -8.083 1.00 1.05 C ATOM 1007 C GLU A 62 3.482 -0.170 -7.891 1.00 0.71 C ATOM 1008 O GLU A 62 3.140 0.595 -8.796 1.00 0.80 O ATOM 1009 CB GLU A 62 4.351 -2.087 -9.237 1.00 1.61 C ATOM 1010 CG GLU A 62 5.440 -3.062 -8.825 1.00 2.42 C ATOM 1011 CD GLU A 62 6.837 -2.530 -9.073 1.00 3.17 C ATOM 1012 OE1 GLU A 62 7.034 -1.301 -8.963 1.00 3.63 O ATOM 1013 OE2 GLU A 62 7.745 -3.331 -9.384 1.00 3.60 O ATOM 0 H GLU A 62 1.816 -2.151 -9.323 1.00 0.81 H new ATOM 0 HA GLU A 62 3.787 -2.162 -7.171 1.00 1.05 H new ATOM 0 HB2 GLU A 62 3.749 -2.537 -10.027 1.00 1.61 H new ATOM 0 HB3 GLU A 62 4.813 -1.194 -9.658 1.00 1.61 H new ATOM 0 HG2 GLU A 62 5.329 -3.296 -7.766 1.00 2.42 H new ATOM 0 HG3 GLU A 62 5.310 -3.995 -9.373 1.00 2.42 H new ATOM 1020 N LEU A 63 3.869 0.253 -6.701 1.00 0.61 N ATOM 1021 CA LEU A 63 3.925 1.666 -6.372 1.00 0.71 C ATOM 1022 C LEU A 63 5.370 2.143 -6.300 1.00 0.75 C ATOM 1023 O LEU A 63 5.875 2.505 -5.233 1.00 0.94 O ATOM 1024 CB LEU A 63 3.211 1.930 -5.045 1.00 0.97 C ATOM 1025 CG LEU A 63 2.129 0.911 -4.679 1.00 0.92 C ATOM 1026 CD1 LEU A 63 2.256 0.505 -3.222 1.00 1.33 C ATOM 1027 CD2 LEU A 63 0.749 1.479 -4.952 1.00 1.18 C ATOM 0 H LEU A 63 4.151 -0.367 -5.942 1.00 0.61 H new ATOM 0 HA LEU A 63 3.418 2.224 -7.159 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.954 1.951 -4.248 1.00 0.97 H new ATOM 0 HB3 LEU A 63 2.758 2.921 -5.084 1.00 0.97 H new ATOM 0 HG LEU A 63 2.266 0.025 -5.299 1.00 0.92 H new ATOM 0 HD11 LEU A 63 1.480 -0.220 -2.977 1.00 1.33 H new ATOM 0 HD12 LEU A 63 3.236 0.058 -3.053 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.144 1.385 -2.588 1.00 1.33 H new ATOM 0 HD21 LEU A 63 -0.007 0.741 -4.686 1.00 1.18 H new ATOM 0 HD22 LEU A 63 0.602 2.380 -4.356 1.00 1.18 H new ATOM 0 HD23 LEU A 63 0.660 1.725 -6.010 1.00 1.18 H new ATOM 1039 N SER A 64 6.036 2.123 -7.443 1.00 0.78 N ATOM 1040 CA SER A 64 7.415 2.568 -7.537 1.00 0.89 C ATOM 1041 C SER A 64 7.494 4.082 -7.376 1.00 0.82 C ATOM 1042 O SER A 64 6.982 4.833 -8.211 1.00 1.57 O ATOM 1043 CB SER A 64 7.996 2.133 -8.885 1.00 1.13 C ATOM 1044 OG SER A 64 7.073 1.308 -9.588 1.00 1.36 O ATOM 0 H SER A 64 5.639 1.800 -8.325 1.00 0.78 H new ATOM 0 HA SER A 64 7.999 2.114 -6.736 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.235 3.012 -9.484 1.00 1.13 H new ATOM 0 HB3 SER A 64 8.928 1.591 -8.727 1.00 1.13 H new ATOM 0 HG SER A 64 7.040 0.423 -9.168 1.00 1.36 H new ATOM 1050 N ASN A 65 8.078 4.512 -6.260 1.00 1.03 N ATOM 1051 CA ASN A 65 8.216 5.932 -5.932 1.00 0.94 C ATOM 1052 C ASN A 65 6.859 6.609 -5.754 1.00 0.82 C ATOM 1053 O ASN A 65 6.679 7.765 -6.137 1.00 1.16 O ATOM 1054 CB ASN A 65 9.028 6.663 -7.003 1.00 1.03 C ATOM 1055 CG ASN A 65 10.435 6.967 -6.542 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.659 7.891 -5.763 1.00 2.04 O ATOM 1057 ND2 ASN A 65 11.391 6.188 -7.015 1.00 1.97 N ATOM 0 H ASN A 65 8.470 3.887 -5.556 1.00 1.03 H new ATOM 0 HA ASN A 65 8.748 5.989 -4.982 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.067 6.054 -7.906 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.525 7.593 -7.267 1.00 1.03 H new ATOM 0 HD21 ASN A 65 12.360 6.342 -6.735 1.00 1.97 H new ATOM 0 HD22 ASN A 65 11.161 5.432 -7.660 1.00 1.97 H new ATOM 1064 N GLY A 66 5.931 5.912 -5.113 1.00 0.69 N ATOM 1065 CA GLY A 66 4.632 6.490 -4.827 1.00 0.66 C ATOM 1066 C GLY A 66 4.326 6.461 -3.345 1.00 0.61 C ATOM 1067 O GLY A 66 4.655 5.487 -2.667 1.00 0.87 O ATOM 0 H GLY A 66 6.055 4.954 -4.785 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.604 7.519 -5.185 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.861 5.942 -5.369 1.00 0.66 H new ATOM 1071 N THR A 67 3.790 7.558 -2.821 1.00 0.40 N ATOM 1072 CA THR A 67 3.534 7.663 -1.389 1.00 0.41 C ATOM 1073 C THR A 67 2.110 8.142 -1.102 1.00 0.36 C ATOM 1074 O THR A 67 1.735 8.353 0.053 1.00 0.39 O ATOM 1075 CB THR A 67 4.541 8.617 -0.721 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.972 9.609 -1.666 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.746 7.851 -0.200 1.00 0.70 C ATOM 0 H THR A 67 3.526 8.382 -3.362 1.00 0.40 H new ATOM 0 HA THR A 67 3.652 6.663 -0.971 1.00 0.41 H new ATOM 0 HB THR A 67 4.048 9.103 0.121 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.611 10.215 -1.236 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.444 8.545 0.268 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.419 7.115 0.534 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.240 7.343 -1.028 1.00 0.70 H new ATOM 1085 N ALA A 68 1.311 8.280 -2.152 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.076 8.700 -2.013 1.00 0.47 C ATOM 1087 C ALA A 68 -0.933 8.030 -3.078 1.00 0.47 C ATOM 1088 O ALA A 68 -1.214 8.613 -4.125 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.188 10.217 -2.107 1.00 0.59 C ATOM 0 H ALA A 68 1.602 8.106 -3.114 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.438 8.394 -1.031 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.232 10.512 -2.001 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.401 10.675 -1.313 1.00 0.59 H new ATOM 0 HB3 ALA A 68 0.187 10.550 -3.075 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.284 6.780 -2.834 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.053 6.003 -3.799 1.00 0.45 C ATOM 1097 C HIS A 69 -3.546 6.140 -3.543 1.00 0.40 C ATOM 1098 O HIS A 69 -3.965 6.446 -2.436 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.654 4.526 -3.742 1.00 0.52 C ATOM 1100 CG HIS A 69 -1.949 3.772 -5.005 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.258 3.971 -6.178 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.874 2.819 -5.275 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -1.743 3.175 -7.114 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.725 2.466 -6.591 1.00 0.75 N ATOM 0 H HIS A 69 -1.051 6.278 -1.977 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.831 6.394 -4.792 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.588 4.455 -3.528 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.178 4.049 -2.914 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.595 2.413 -4.581 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -1.395 3.115 -8.135 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.282 1.769 -7.085 1.00 0.75 H new ATOM 1113 N THR A 70 -4.346 5.856 -4.554 1.00 0.41 N ATOM 1114 CA THR A 70 -5.791 5.871 -4.406 1.00 0.44 C ATOM 1115 C THR A 70 -6.399 4.582 -4.941 1.00 0.47 C ATOM 1116 O THR A 70 -5.969 4.062 -5.971 1.00 0.72 O ATOM 1117 CB THR A 70 -6.423 7.067 -5.139 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.402 7.956 -5.603 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.380 7.816 -4.223 1.00 0.84 C ATOM 0 H THR A 70 -4.019 5.612 -5.489 1.00 0.41 H new ATOM 0 HA THR A 70 -6.002 5.962 -3.341 1.00 0.44 H new ATOM 0 HB THR A 70 -6.984 6.687 -5.993 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.814 8.713 -6.070 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.815 8.658 -4.762 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.174 7.143 -3.898 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.837 8.184 -3.352 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.385 4.068 -4.228 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.087 2.863 -4.630 1.00 0.44 C ATOM 1129 C ILE A 71 -9.537 3.202 -4.944 1.00 0.34 C ATOM 1130 O ILE A 71 -10.208 3.838 -4.141 1.00 0.37 O ATOM 1131 CB ILE A 71 -8.051 1.790 -3.519 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.610 1.477 -3.113 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -8.763 0.522 -3.973 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.504 0.711 -1.813 1.00 0.70 C ATOM 0 H ILE A 71 -7.721 4.474 -3.355 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.589 2.462 -5.513 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.574 2.187 -2.649 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -6.134 0.900 -3.906 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.055 2.411 -3.022 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -8.726 -0.221 -3.176 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -9.802 0.752 -4.207 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -8.270 0.126 -4.861 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.455 0.523 -1.586 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -6.950 1.296 -1.009 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -7.031 -0.239 -1.906 1.00 0.70 H new ATOM 1146 N THR A 72 -10.014 2.786 -6.103 1.00 0.37 N ATOM 1147 CA THR A 72 -11.397 3.036 -6.491 1.00 0.33 C ATOM 1148 C THR A 72 -12.152 1.719 -6.614 1.00 0.31 C ATOM 1149 O THR A 72 -13.317 1.676 -7.014 1.00 0.33 O ATOM 1150 CB THR A 72 -11.470 3.792 -7.830 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.195 4.376 -8.134 1.00 1.33 O ATOM 1152 CG2 THR A 72 -12.527 4.880 -7.785 1.00 1.22 C ATOM 0 H THR A 72 -9.467 2.273 -6.795 1.00 0.37 H new ATOM 0 HA THR A 72 -11.855 3.652 -5.717 1.00 0.33 H new ATOM 0 HB THR A 72 -11.741 3.077 -8.607 1.00 0.43 H new ATOM 0 HG1 THR A 72 -10.249 4.854 -8.988 1.00 1.33 H new ATOM 0 HG21 THR A 72 -12.557 5.398 -8.744 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.501 4.433 -7.583 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.284 5.591 -6.996 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.467 0.646 -6.263 1.00 0.34 N ATOM 1161 CA ASP A 73 -12.048 -0.689 -6.293 1.00 0.40 C ATOM 1162 C ASP A 73 -12.532 -1.086 -4.914 1.00 0.39 C ATOM 1163 O ASP A 73 -12.923 -2.234 -4.686 1.00 0.51 O ATOM 1164 CB ASP A 73 -11.033 -1.714 -6.804 1.00 0.52 C ATOM 1165 CG ASP A 73 -11.558 -2.510 -7.984 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -12.638 -3.128 -7.856 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -10.898 -2.527 -9.047 1.00 1.21 O ATOM 0 H ASP A 73 -10.497 0.672 -5.950 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.897 -0.672 -6.976 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -10.117 -1.200 -7.095 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.772 -2.397 -5.996 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.356 -0.186 -3.960 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.624 -0.504 -2.575 1.00 0.33 C ATOM 1174 C ALA A 74 -14.115 -0.496 -2.300 1.00 0.35 C ATOM 1175 O ALA A 74 -14.789 0.501 -2.523 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.894 0.469 -1.667 1.00 0.36 C ATOM 0 H ALA A 74 -12.030 0.767 -4.123 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.256 -1.509 -2.368 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.102 0.221 -0.626 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.821 0.401 -1.849 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.234 1.484 -1.873 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.631 -1.622 -1.849 1.00 0.48 N ATOM 1183 CA TYR A 75 -16.047 -1.737 -1.557 1.00 0.52 C ATOM 1184 C TYR A 75 -16.353 -1.148 -0.190 1.00 0.46 C ATOM 1185 O TYR A 75 -15.846 -1.616 0.822 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.490 -3.200 -1.617 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.861 -3.668 -3.005 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.353 -2.775 -3.949 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -16.719 -5.000 -3.376 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -17.693 -3.196 -5.220 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -17.053 -5.428 -4.645 1.00 2.26 C ATOM 1192 CZ TYR A 75 -17.548 -4.536 -5.555 1.00 2.21 C ATOM 1193 OH TYR A 75 -17.863 -4.945 -6.834 1.00 2.86 O ATOM 0 H TYR A 75 -14.092 -2.470 -1.677 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.602 -1.178 -2.310 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.687 -3.829 -1.234 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.346 -3.338 -0.956 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.472 -1.735 -3.685 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -16.341 -5.713 -2.658 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -18.068 -2.490 -5.946 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -16.924 -6.465 -4.918 1.00 2.26 H new ATOM 0 HH TYR A 75 -17.709 -5.909 -6.916 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.124 -0.074 -0.178 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.455 0.631 1.054 1.00 0.57 C ATOM 1205 C ALA A 76 -18.199 -0.264 2.038 1.00 0.50 C ATOM 1206 O ALA A 76 -18.216 0.001 3.238 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.289 1.857 0.740 1.00 0.74 C ATOM 0 H ALA A 76 -17.538 0.334 -1.016 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.519 0.933 1.523 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.532 2.378 1.666 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.726 2.523 0.086 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.210 1.553 0.242 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.836 -1.303 1.521 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.608 -2.193 2.361 1.00 0.55 C ATOM 1215 C GLY A 77 -18.797 -3.353 2.901 1.00 0.48 C ATOM 1216 O GLY A 77 -19.320 -4.185 3.644 1.00 0.58 O ATOM 0 H GLY A 77 -18.832 -1.546 0.530 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.022 -1.627 3.196 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.451 -2.582 1.790 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.522 -3.420 2.540 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.659 -4.502 2.997 1.00 0.49 C ATOM 1222 C LYS A 78 -15.268 -3.983 3.326 1.00 0.43 C ATOM 1223 O LYS A 78 -14.648 -3.302 2.515 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.570 -5.596 1.931 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.340 -6.856 2.292 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.719 -6.876 1.651 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.783 -7.321 2.640 1.00 1.93 C ATOM 1228 NZ LYS A 78 -21.156 -7.133 2.104 1.00 2.32 N ATOM 0 H LYS A 78 -17.063 -2.740 1.934 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.094 -4.923 3.904 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.950 -5.205 0.987 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.523 -5.853 1.771 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.776 -7.732 1.970 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.441 -6.923 3.375 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.962 -5.882 1.276 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.713 -7.548 0.793 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.631 -8.372 2.887 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.675 -6.757 3.566 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.851 -7.449 2.810 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.311 -6.127 1.892 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.268 -7.691 1.234 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.788 -4.307 4.519 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.474 -3.866 4.962 1.00 0.43 C ATOM 1244 C GLU A 79 -12.386 -4.361 4.015 1.00 0.37 C ATOM 1245 O GLU A 79 -12.396 -5.517 3.581 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.200 -4.364 6.380 1.00 0.59 C ATOM 1247 CG GLU A 79 -13.767 -3.459 7.461 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.877 -2.270 7.761 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -11.743 -2.215 7.244 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -13.306 -1.385 8.531 1.00 2.05 O ATOM 0 H GLU A 79 -15.292 -4.876 5.199 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.462 -2.776 4.959 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.623 -5.362 6.494 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.123 -4.456 6.522 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -14.749 -3.102 7.151 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -13.912 -4.038 8.373 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.478 -3.469 3.660 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.412 -3.800 2.735 1.00 0.38 C ATOM 1259 C TYR A 80 -9.081 -3.888 3.461 1.00 0.41 C ATOM 1260 O TYR A 80 -8.670 -2.937 4.135 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.334 -2.750 1.624 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.867 -3.233 0.296 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.178 -3.669 0.171 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.057 -3.254 -0.832 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.668 -4.113 -1.040 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.539 -3.697 -2.045 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.851 -4.116 -2.146 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.326 -4.572 -3.352 1.00 0.85 O ATOM 0 H TYR A 80 -11.459 -2.508 4.000 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.630 -4.772 2.292 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.894 -1.866 1.931 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.296 -2.442 1.499 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.825 -3.661 1.035 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.033 -2.918 -0.758 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.689 -4.457 -1.119 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.894 -3.716 -2.911 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.483 -3.812 -3.950 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.381 -4.996 3.275 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.045 -5.138 3.827 1.00 0.33 C ATOM 1280 C ILE A 81 -6.023 -4.669 2.798 1.00 0.29 C ATOM 1281 O ILE A 81 -5.850 -5.282 1.742 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.732 -6.587 4.284 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.243 -6.737 4.618 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.140 -7.602 3.228 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.966 -6.840 6.101 1.00 1.11 C ATOM 0 H ILE A 81 -8.714 -5.804 2.750 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.989 -4.517 4.721 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.316 -6.784 5.183 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.855 -7.626 4.121 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.700 -5.883 4.213 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.907 -8.607 3.580 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.211 -7.522 3.041 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.595 -7.405 2.305 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.893 -6.944 6.264 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.324 -5.940 6.601 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.481 -7.710 6.508 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.437 -3.519 3.065 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.495 -2.909 2.148 1.00 0.30 C ATOM 1299 C ILE A 82 -3.073 -3.214 2.586 1.00 0.32 C ATOM 1300 O ILE A 82 -2.577 -2.659 3.563 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.713 -1.385 2.070 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -6.146 -1.084 1.628 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.720 -0.746 1.117 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.818 -0.014 2.457 1.00 0.64 C ATOM 0 H ILE A 82 -5.599 -2.984 3.918 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.660 -3.327 1.155 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.552 -0.961 3.061 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.138 -0.772 0.584 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.735 -1.999 1.683 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.893 0.329 1.078 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.705 -0.938 1.466 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.847 -1.170 0.121 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.831 0.149 2.089 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.857 -0.332 3.499 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -6.251 0.914 2.382 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.483 -4.202 1.948 1.00 0.31 N ATOM 1317 CA GLN A 83 -1.178 -4.688 2.341 1.00 0.34 C ATOM 1318 C GLN A 83 -0.070 -3.962 1.585 1.00 0.29 C ATOM 1319 O GLN A 83 -0.061 -3.934 0.352 1.00 0.31 O ATOM 1320 CB GLN A 83 -1.105 -6.196 2.103 1.00 0.44 C ATOM 1321 CG GLN A 83 -0.384 -6.955 3.202 1.00 0.60 C ATOM 1322 CD GLN A 83 1.037 -6.479 3.413 1.00 0.71 C ATOM 1323 OE1 GLN A 83 1.784 -6.270 2.460 1.00 1.59 O ATOM 1324 NE2 GLN A 83 1.425 -6.320 4.662 1.00 0.64 N ATOM 0 H GLN A 83 -2.890 -4.688 1.149 1.00 0.31 H new ATOM 0 HA GLN A 83 -1.031 -4.487 3.402 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -2.117 -6.589 2.007 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.600 -6.381 1.155 1.00 0.44 H new ATOM 0 HG2 GLN A 83 -0.939 -6.849 4.134 1.00 0.60 H new ATOM 0 HG3 GLN A 83 -0.373 -8.017 2.956 1.00 0.60 H new ATOM 0 HE21 GLN A 83 0.774 -6.504 5.426 1.00 0.64 H new ATOM 0 HE22 GLN A 83 2.376 -6.013 4.865 1.00 0.64 H new ATOM 1333 N VAL A 84 0.818 -3.331 2.342 1.00 0.28 N ATOM 1334 CA VAL A 84 1.928 -2.563 1.786 1.00 0.28 C ATOM 1335 C VAL A 84 3.274 -3.235 2.066 1.00 0.28 C ATOM 1336 O VAL A 84 3.718 -3.304 3.216 1.00 0.32 O ATOM 1337 CB VAL A 84 1.983 -1.132 2.373 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.608 -0.166 1.375 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.601 -0.655 2.793 1.00 0.51 C ATOM 0 H VAL A 84 0.790 -3.336 3.362 1.00 0.28 H new ATOM 0 HA VAL A 84 1.752 -2.517 0.711 1.00 0.28 H new ATOM 0 HB VAL A 84 2.610 -1.159 3.264 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.637 0.834 1.807 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.622 -0.490 1.141 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.012 -0.150 0.462 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.673 0.353 3.201 1.00 0.51 H new ATOM 0 HG22 VAL A 84 -0.061 -0.650 1.927 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.200 -1.326 3.552 1.00 0.51 H new ATOM 1349 N ALA A 85 3.968 -3.622 1.005 1.00 0.31 N ATOM 1350 CA ALA A 85 5.322 -4.155 1.117 1.00 0.36 C ATOM 1351 C ALA A 85 6.317 -3.186 0.488 1.00 0.30 C ATOM 1352 O ALA A 85 5.911 -2.203 -0.135 1.00 0.37 O ATOM 1353 CB ALA A 85 5.415 -5.520 0.456 1.00 0.49 C ATOM 0 H ALA A 85 3.614 -3.577 0.049 1.00 0.31 H new ATOM 0 HA ALA A 85 5.566 -4.272 2.173 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.432 -5.901 0.550 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.723 -6.208 0.943 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.157 -5.432 -0.599 1.00 0.49 H new ATOM 1359 N ALA A 86 7.610 -3.427 0.682 1.00 0.35 N ATOM 1360 CA ALA A 86 8.633 -2.518 0.171 1.00 0.45 C ATOM 1361 C ALA A 86 9.842 -3.261 -0.390 1.00 0.40 C ATOM 1362 O ALA A 86 10.179 -4.361 0.059 1.00 0.55 O ATOM 1363 CB ALA A 86 9.076 -1.563 1.269 1.00 0.70 C ATOM 0 H ALA A 86 7.973 -4.237 1.185 1.00 0.35 H new ATOM 0 HA ALA A 86 8.186 -1.957 -0.650 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.839 -0.889 0.879 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.220 -0.982 1.613 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.487 -2.133 2.103 1.00 0.70 H new ATOM 1369 N LYS A 87 10.503 -2.628 -1.356 1.00 0.46 N ATOM 1370 CA LYS A 87 11.706 -3.166 -1.982 1.00 0.49 C ATOM 1371 C LYS A 87 12.399 -2.055 -2.771 1.00 0.61 C ATOM 1372 O LYS A 87 11.740 -1.167 -3.299 1.00 0.80 O ATOM 1373 CB LYS A 87 11.347 -4.337 -2.907 1.00 0.62 C ATOM 1374 CG LYS A 87 12.518 -4.892 -3.702 1.00 0.69 C ATOM 1375 CD LYS A 87 12.225 -4.909 -5.196 1.00 0.91 C ATOM 1376 CE LYS A 87 13.192 -5.814 -5.941 1.00 1.08 C ATOM 1377 NZ LYS A 87 14.117 -5.043 -6.814 1.00 1.33 N ATOM 0 H LYS A 87 10.217 -1.722 -1.728 1.00 0.46 H new ATOM 0 HA LYS A 87 12.382 -3.537 -1.212 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.918 -5.140 -2.307 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.574 -4.011 -3.602 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.406 -4.289 -3.512 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.741 -5.904 -3.363 1.00 0.69 H new ATOM 0 HD2 LYS A 87 11.203 -5.249 -5.364 1.00 0.91 H new ATOM 0 HD3 LYS A 87 12.293 -3.896 -5.593 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.771 -6.395 -5.223 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.630 -6.525 -6.547 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 15.021 -5.550 -6.895 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 13.694 -4.936 -7.758 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 14.283 -4.103 -6.400 1.00 1.33 H new ATOM 1391 N ASP A 88 13.723 -2.079 -2.822 1.00 0.67 N ATOM 1392 CA ASP A 88 14.470 -1.057 -3.554 1.00 0.81 C ATOM 1393 C ASP A 88 14.629 -1.453 -5.024 1.00 0.90 C ATOM 1394 O ASP A 88 14.390 -2.605 -5.396 1.00 1.00 O ATOM 1395 CB ASP A 88 15.846 -0.827 -2.913 1.00 0.96 C ATOM 1396 CG ASP A 88 16.664 0.214 -3.656 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.122 1.288 -3.972 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.867 -0.020 -3.885 1.00 1.42 O ATOM 0 H ASP A 88 14.302 -2.787 -2.370 1.00 0.67 H new ATOM 0 HA ASP A 88 13.906 -0.126 -3.505 1.00 0.81 H new ATOM 0 HB2 ASP A 88 15.713 -0.510 -1.878 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.395 -1.768 -2.890 1.00 0.96 H new ATOM 1403 N ASN A 89 15.013 -0.498 -5.857 1.00 1.00 N ATOM 1404 CA ASN A 89 15.201 -0.750 -7.279 1.00 1.17 C ATOM 1405 C ASN A 89 16.610 -1.259 -7.571 1.00 1.27 C ATOM 1406 O ASN A 89 16.809 -2.063 -8.482 1.00 1.46 O ATOM 1407 CB ASN A 89 14.938 0.525 -8.084 1.00 1.30 C ATOM 1408 CG ASN A 89 14.437 0.237 -9.484 1.00 1.53 C ATOM 1409 OD1 ASN A 89 15.158 -0.312 -10.317 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.200 0.615 -9.758 1.00 1.75 N ATOM 0 H ASN A 89 15.201 0.463 -5.572 1.00 1.00 H new ATOM 0 HA ASN A 89 14.489 -1.520 -7.576 1.00 1.17 H new ATOM 0 HB2 ASN A 89 14.205 1.137 -7.559 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.857 1.109 -8.144 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.812 0.454 -10.687 1.00 1.75 H new ATOM 0 HD22 ASN A 89 12.634 1.067 -9.040 1.00 1.75 H new ATOM 1417 N GLU A 90 17.587 -0.773 -6.814 1.00 1.29 N ATOM 1418 CA GLU A 90 18.980 -1.144 -7.037 1.00 1.46 C ATOM 1419 C GLU A 90 19.404 -2.281 -6.115 1.00 1.44 C ATOM 1420 O GLU A 90 19.827 -3.344 -6.574 1.00 1.57 O ATOM 1421 CB GLU A 90 19.890 0.069 -6.828 1.00 1.60 C ATOM 1422 CG GLU A 90 19.925 1.012 -8.019 1.00 1.82 C ATOM 1423 CD GLU A 90 20.541 0.376 -9.248 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.779 0.431 -9.399 1.00 2.17 O ATOM 1425 OE2 GLU A 90 19.788 -0.188 -10.071 1.00 2.26 O ATOM 0 H GLU A 90 17.441 -0.123 -6.042 1.00 1.29 H new ATOM 0 HA GLU A 90 19.075 -1.490 -8.066 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.553 0.619 -5.949 1.00 1.60 H new ATOM 0 HB3 GLU A 90 20.902 -0.278 -6.619 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.910 1.335 -8.252 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.491 1.905 -7.754 1.00 1.82 H new ATOM 1432 N ILE A 91 19.246 -2.071 -4.821 1.00 1.38 N ATOM 1433 CA ILE A 91 19.561 -3.086 -3.828 1.00 1.45 C ATOM 1434 C ILE A 91 18.266 -3.614 -3.226 1.00 1.48 C ATOM 1435 O ILE A 91 18.036 -3.531 -2.016 1.00 1.79 O ATOM 1436 CB ILE A 91 20.471 -2.536 -2.705 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.955 -1.119 -3.032 1.00 2.02 C ATOM 1438 CG2 ILE A 91 21.659 -3.459 -2.490 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.466 -0.071 -2.054 1.00 2.51 C ATOM 0 H ILE A 91 18.897 -1.197 -4.428 1.00 1.38 H new ATOM 0 HA ILE A 91 20.105 -3.889 -4.326 1.00 1.45 H new ATOM 0 HB ILE A 91 19.885 -2.492 -1.787 1.00 1.63 H new ATOM 0 HG12 ILE A 91 22.045 -1.110 -3.046 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.621 -0.852 -4.035 1.00 2.02 H new ATOM 0 HG21 ILE A 91 22.291 -3.060 -1.697 1.00 1.69 H new ATOM 0 HG22 ILE A 91 21.303 -4.450 -2.207 1.00 1.69 H new ATOM 0 HG23 ILE A 91 22.236 -3.531 -3.412 1.00 1.69 H new ATOM 0 HD11 ILE A 91 20.847 0.907 -2.348 1.00 2.51 H new ATOM 0 HD12 ILE A 91 19.376 -0.051 -2.057 1.00 2.51 H new ATOM 0 HD13 ILE A 91 20.822 -0.313 -1.053 1.00 2.51 H new ATOM 1451 N GLY A 92 17.368 -4.028 -4.104 1.00 1.53 N ATOM 1452 CA GLY A 92 16.039 -4.397 -3.687 1.00 1.75 C ATOM 1453 C GLY A 92 15.919 -5.820 -3.199 1.00 1.30 C ATOM 1454 O GLY A 92 15.883 -6.760 -3.994 1.00 1.27 O ATOM 0 H GLY A 92 17.541 -4.115 -5.106 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.719 -3.723 -2.892 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.354 -4.252 -4.523 1.00 1.75 H new ATOM 1458 N THR A 93 15.676 -5.952 -1.909 1.00 1.16 N ATOM 1459 CA THR A 93 15.354 -7.233 -1.314 1.00 0.92 C ATOM 1460 C THR A 93 13.841 -7.374 -1.204 1.00 0.81 C ATOM 1461 O THR A 93 13.155 -6.413 -0.847 1.00 0.82 O ATOM 1462 CB THR A 93 15.991 -7.347 0.079 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.196 -6.570 0.103 1.00 1.75 O ATOM 1464 CG2 THR A 93 16.306 -8.793 0.427 1.00 1.62 C ATOM 0 H THR A 93 15.696 -5.177 -1.247 1.00 1.16 H new ATOM 0 HA THR A 93 15.749 -8.029 -1.945 1.00 0.92 H new ATOM 0 HB THR A 93 15.283 -6.972 0.819 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.657 -6.655 -0.758 1.00 1.75 H new ATOM 0 HG21 THR A 93 16.756 -8.839 1.419 1.00 1.62 H new ATOM 0 HG22 THR A 93 15.386 -9.378 0.418 1.00 1.62 H new ATOM 0 HG23 THR A 93 17.002 -9.200 -0.306 1.00 1.62 H new ATOM 1472 N TRP A 94 13.316 -8.519 -1.615 1.00 0.78 N ATOM 1473 CA TRP A 94 11.871 -8.732 -1.642 1.00 0.75 C ATOM 1474 C TRP A 94 11.327 -8.988 -0.241 1.00 0.74 C ATOM 1475 O TRP A 94 10.906 -10.104 0.082 1.00 0.89 O ATOM 1476 CB TRP A 94 11.516 -9.902 -2.563 1.00 0.82 C ATOM 1477 CG TRP A 94 11.631 -9.573 -4.020 1.00 0.84 C ATOM 1478 CD1 TRP A 94 12.749 -9.672 -4.793 1.00 0.93 C ATOM 1479 CD2 TRP A 94 10.587 -9.099 -4.877 1.00 1.04 C ATOM 1480 NE1 TRP A 94 12.465 -9.287 -6.081 1.00 1.13 N ATOM 1481 CE2 TRP A 94 11.145 -8.931 -6.158 1.00 1.19 C ATOM 1482 CE3 TRP A 94 9.235 -8.800 -4.687 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 10.399 -8.478 -7.242 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 8.495 -8.350 -5.764 1.00 1.55 C ATOM 1485 CH2 TRP A 94 9.078 -8.194 -7.028 1.00 1.63 C ATOM 0 H TRP A 94 13.866 -9.316 -1.935 1.00 0.78 H new ATOM 0 HA TRP A 94 11.409 -7.824 -2.030 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.170 -10.744 -2.336 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.497 -10.224 -2.351 1.00 0.82 H new ATOM 0 HD1 TRP A 94 13.716 -10.004 -4.445 1.00 0.93 H new ATOM 0 HE1 TRP A 94 13.130 -9.269 -6.854 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.777 -8.918 -3.716 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 10.847 -8.355 -8.217 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 7.450 -8.115 -5.629 1.00 1.55 H new ATOM 0 HH2 TRP A 94 8.472 -7.842 -7.850 1.00 1.63 H new ATOM 1496 N SER A 95 11.359 -7.956 0.590 1.00 0.65 N ATOM 1497 CA SER A 95 10.874 -8.045 1.956 1.00 0.65 C ATOM 1498 C SER A 95 9.415 -8.484 1.987 1.00 0.63 C ATOM 1499 O SER A 95 8.622 -8.093 1.128 1.00 0.72 O ATOM 1500 CB SER A 95 11.034 -6.691 2.643 1.00 0.68 C ATOM 1501 OG SER A 95 11.792 -5.804 1.832 1.00 0.94 O ATOM 0 H SER A 95 11.721 -7.037 0.336 1.00 0.65 H new ATOM 0 HA SER A 95 11.462 -8.793 2.489 1.00 0.65 H new ATOM 0 HB2 SER A 95 10.053 -6.261 2.843 1.00 0.68 H new ATOM 0 HB3 SER A 95 11.527 -6.822 3.606 1.00 0.68 H new ATOM 0 HG SER A 95 11.192 -5.321 1.226 1.00 0.94 H new ATOM 1507 N ASP A 96 9.092 -9.355 2.932 1.00 0.69 N ATOM 1508 CA ASP A 96 7.747 -9.912 3.049 1.00 0.74 C ATOM 1509 C ASP A 96 6.714 -8.830 3.346 1.00 0.63 C ATOM 1510 O ASP A 96 7.062 -7.677 3.617 1.00 0.53 O ATOM 1511 CB ASP A 96 7.704 -10.989 4.136 1.00 0.94 C ATOM 1512 CG ASP A 96 7.887 -10.430 5.533 1.00 1.28 C ATOM 1513 OD1 ASP A 96 9.006 -9.964 5.849 1.00 1.94 O ATOM 1514 OD2 ASP A 96 6.926 -10.471 6.328 1.00 1.57 O ATOM 0 H ASP A 96 9.747 -9.695 3.636 1.00 0.69 H new ATOM 0 HA ASP A 96 7.496 -10.363 2.089 1.00 0.74 H new ATOM 0 HB2 ASP A 96 6.750 -11.513 4.083 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.483 -11.726 3.941 1.00 0.94 H new ATOM 1519 N TRP A 97 5.445 -9.207 3.240 1.00 0.76 N ATOM 1520 CA TRP A 97 4.326 -8.290 3.434 1.00 0.73 C ATOM 1521 C TRP A 97 4.439 -7.549 4.763 1.00 0.60 C ATOM 1522 O TRP A 97 4.486 -8.165 5.827 1.00 0.76 O ATOM 1523 CB TRP A 97 3.012 -9.071 3.354 1.00 0.99 C ATOM 1524 CG TRP A 97 2.921 -9.941 2.133 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.613 -11.267 2.096 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.153 -9.547 0.774 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.643 -11.723 0.803 1.00 2.24 N ATOM 1528 CE2 TRP A 97 2.972 -10.688 -0.028 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.497 -8.342 0.156 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.124 -10.660 -1.410 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.648 -8.313 -1.215 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.461 -9.468 -1.986 1.00 1.26 C ATOM 0 H TRP A 97 5.161 -10.161 3.016 1.00 0.76 H new ATOM 0 HA TRP A 97 4.346 -7.539 2.645 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.910 -9.692 4.244 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.178 -8.369 3.357 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.379 -11.872 2.960 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.451 -12.680 0.508 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.642 -7.447 0.743 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 2.981 -11.549 -2.007 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.914 -7.386 -1.701 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.586 -9.415 -3.057 1.00 1.26 H new ATOM 1543 N SER A 98 4.655 -6.242 4.683 1.00 0.41 N ATOM 1544 CA SER A 98 4.964 -5.449 5.860 1.00 0.42 C ATOM 1545 C SER A 98 3.712 -4.886 6.534 1.00 0.38 C ATOM 1546 O SER A 98 3.293 -5.379 7.578 1.00 0.46 O ATOM 1547 CB SER A 98 5.914 -4.319 5.473 1.00 0.51 C ATOM 1548 OG SER A 98 6.643 -4.652 4.302 1.00 0.50 O ATOM 0 H SER A 98 4.621 -5.711 3.813 1.00 0.41 H new ATOM 0 HA SER A 98 5.441 -6.106 6.587 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.348 -3.403 5.306 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.605 -4.122 6.293 1.00 0.51 H new ATOM 0 HG SER A 98 7.245 -3.914 4.070 1.00 0.50 H new ATOM 1554 N VAL A 99 3.178 -3.796 5.994 1.00 0.33 N ATOM 1555 CA VAL A 99 2.075 -3.090 6.640 1.00 0.34 C ATOM 1556 C VAL A 99 0.714 -3.594 6.178 1.00 0.32 C ATOM 1557 O VAL A 99 0.311 -3.369 5.037 1.00 0.34 O ATOM 1558 CB VAL A 99 2.159 -1.574 6.388 1.00 0.42 C ATOM 1559 CG1 VAL A 99 1.066 -0.837 7.151 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.529 -1.047 6.777 1.00 1.32 C ATOM 0 H VAL A 99 3.488 -3.383 5.115 1.00 0.33 H new ATOM 0 HA VAL A 99 2.173 -3.290 7.707 1.00 0.34 H new ATOM 0 HB VAL A 99 2.009 -1.396 5.323 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.145 0.233 6.958 1.00 1.21 H new ATOM 0 HG12 VAL A 99 0.090 -1.194 6.823 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.180 -1.022 8.219 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.572 0.026 6.593 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.706 -1.241 7.835 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.294 -1.548 6.183 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.027 -4.183 7.102 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.399 -4.594 6.844 1.00 0.41 C ATOM 1572 C ALA A 100 -2.371 -3.482 7.237 1.00 0.43 C ATOM 1573 O ALA A 100 -2.775 -3.376 8.397 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.719 -5.876 7.599 1.00 0.50 C ATOM 0 H ALA A 100 0.301 -4.389 8.045 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.510 -4.786 5.777 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.749 -6.171 7.396 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.044 -6.668 7.274 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.594 -5.709 8.669 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.720 -2.636 6.279 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.629 -1.526 6.533 1.00 0.36 C ATOM 1582 C ALA A 101 -5.080 -1.967 6.378 1.00 0.41 C ATOM 1583 O ALA A 101 -5.362 -3.048 5.856 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.321 -0.360 5.602 1.00 0.42 C ATOM 0 H ALA A 101 -2.387 -2.697 5.317 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.483 -1.195 7.561 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.010 0.460 5.806 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.297 -0.024 5.767 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.435 -0.681 4.567 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.999 -1.145 6.862 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.417 -1.468 6.807 1.00 0.57 C ATOM 1592 C HIS A 102 -8.245 -0.202 6.648 1.00 0.50 C ATOM 1593 O HIS A 102 -7.952 0.814 7.283 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.840 -2.195 8.082 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.392 -3.563 7.845 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.705 -3.798 7.513 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -7.801 -4.777 7.905 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -9.900 -5.094 7.383 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -8.760 -5.715 7.615 1.00 2.00 N ATOM 0 H HIS A 102 -5.788 -0.248 7.298 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.588 -2.116 5.947 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -6.980 -2.271 8.747 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.590 -1.596 8.598 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -10.418 -3.080 7.387 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -6.765 -4.973 8.138 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -10.836 -5.569 7.129 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.279 -0.265 5.815 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.161 0.876 5.609 1.00 0.54 C ATOM 1610 C ALA A 103 -11.401 0.491 4.807 1.00 0.36 C ATOM 1611 O ALA A 103 -11.463 -0.585 4.210 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.422 2.005 4.905 1.00 0.91 C ATOM 0 H ALA A 103 -9.526 -1.093 5.273 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.484 1.217 6.592 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -10.098 2.848 4.760 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.574 2.320 5.513 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -9.064 1.657 3.936 1.00 0.91 H new ATOM 1618 N THR A 104 -12.359 1.405 4.773 1.00 0.41 N ATOM 1619 CA THR A 104 -13.589 1.243 4.013 1.00 0.38 C ATOM 1620 C THR A 104 -14.002 2.603 3.447 1.00 0.41 C ATOM 1621 O THR A 104 -14.052 3.585 4.190 1.00 0.51 O ATOM 1622 CB THR A 104 -14.724 0.696 4.902 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.271 0.578 6.260 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.200 -0.656 4.404 1.00 0.70 C ATOM 0 H THR A 104 -12.304 2.290 5.278 1.00 0.41 H new ATOM 0 HA THR A 104 -13.412 0.530 3.208 1.00 0.38 H new ATOM 0 HB THR A 104 -15.559 1.396 4.856 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.998 0.231 6.818 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.001 -1.020 5.048 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.571 -0.558 3.384 1.00 0.70 H new ATOM 0 HG23 THR A 104 -14.371 -1.363 4.422 1.00 0.70 H new ATOM 1632 N PRO A 105 -14.165 2.723 2.118 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.460 4.014 1.486 1.00 0.38 C ATOM 1634 C PRO A 105 -15.859 4.533 1.827 1.00 0.40 C ATOM 1635 O PRO A 105 -16.543 3.980 2.695 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.322 3.745 -0.013 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.381 2.264 -0.178 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.953 1.651 1.131 1.00 0.40 C ATOM 0 HA PRO A 105 -13.784 4.792 1.841 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.123 4.231 -0.571 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.381 4.142 -0.395 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.390 1.946 -0.440 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.725 1.941 -0.987 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.545 0.767 1.369 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.910 1.337 1.102 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.235 5.652 1.209 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.503 6.312 1.506 1.00 0.41 C ATOM 1648 C TRP A 106 -18.677 5.355 1.340 1.00 0.48 C ATOM 1649 O TRP A 106 -19.058 4.994 0.227 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.696 7.538 0.610 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.989 8.259 0.859 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.565 8.521 2.071 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.866 8.808 -0.128 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.753 9.187 1.891 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.955 9.381 0.553 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.836 8.870 -1.522 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.003 10.008 -0.115 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.876 9.494 -2.185 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.946 10.055 -1.481 1.00 1.07 C ATOM 0 H TRP A 106 -15.676 6.121 0.497 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.470 6.636 2.546 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.867 8.228 0.767 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.657 7.226 -0.434 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.148 8.245 3.028 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.382 9.488 2.635 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.014 8.438 -2.073 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.831 10.442 0.426 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.862 9.549 -3.264 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.744 10.536 -2.027 1.00 1.07 H new ATOM 1670 N THR A 107 -19.290 5.014 2.456 1.00 0.60 N ATOM 1671 CA THR A 107 -20.459 4.173 2.454 1.00 0.75 C ATOM 1672 C THR A 107 -21.706 5.038 2.388 1.00 0.82 C ATOM 1673 O THR A 107 -21.900 5.925 3.219 1.00 0.89 O ATOM 1674 CB THR A 107 -20.495 3.287 3.707 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.157 3.108 4.200 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.119 1.933 3.399 1.00 1.19 C ATOM 0 H THR A 107 -18.989 5.313 3.384 1.00 0.60 H new ATOM 0 HA THR A 107 -20.422 3.523 1.580 1.00 0.75 H new ATOM 0 HB THR A 107 -21.106 3.777 4.465 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.176 2.544 5.001 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.133 1.324 4.303 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.139 2.075 3.042 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.533 1.428 2.631 1.00 1.19 H new ATOM 1684 N GLU A 108 -22.457 4.864 1.318 1.00 1.03 N ATOM 1685 CA GLU A 108 -23.627 5.683 1.040 1.00 1.27 C ATOM 1686 C GLU A 108 -24.779 5.323 1.972 1.00 1.32 C ATOM 1687 O GLU A 108 -25.781 4.741 1.550 1.00 1.87 O ATOM 1688 CB GLU A 108 -24.034 5.463 -0.405 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.495 6.499 -1.372 1.00 2.11 C ATOM 1690 CD GLU A 108 -23.109 5.885 -2.700 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -22.642 4.725 -2.706 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -23.287 6.545 -3.745 1.00 3.25 O ATOM 0 H GLU A 108 -22.275 4.149 0.613 1.00 1.03 H new ATOM 0 HA GLU A 108 -23.383 6.732 1.207 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -23.692 4.477 -0.720 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -25.122 5.458 -0.466 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -24.248 7.271 -1.534 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -22.626 6.989 -0.932 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.614 5.643 3.240 1.00 1.51 N ATOM 1700 CA GLU A 109 -25.615 5.345 4.243 1.00 1.77 C ATOM 1701 C GLU A 109 -26.486 6.564 4.489 1.00 2.52 C ATOM 1702 O GLU A 109 -26.047 7.681 4.142 1.00 3.20 O ATOM 1703 CB GLU A 109 -24.947 4.914 5.548 1.00 2.25 C ATOM 1704 CG GLU A 109 -23.734 4.021 5.350 1.00 2.64 C ATOM 1705 CD GLU A 109 -23.375 3.246 6.597 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -24.269 2.598 7.180 1.00 3.99 O ATOM 1707 OE2 GLU A 109 -22.194 3.280 7.003 1.00 4.37 O ATOM 1708 OXT GLU A 109 -27.601 6.403 5.021 1.00 2.99 O ATOM 0 H GLU A 109 -23.786 6.115 3.602 1.00 1.51 H new ATOM 0 HA GLU A 109 -26.239 4.528 3.879 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -24.645 5.803 6.102 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -25.677 4.388 6.163 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -23.930 3.323 4.536 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -22.883 4.632 5.048 1.00 2.64 H new TER 1715 GLU A 109