USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 95:sc= 0.00347 USER MOD Set 1.2: A 72 TYR OH : rot 150:sc= 0.00414 USER MOD Set 2.1: A 35 SER OG : rot 56:sc= -0.728! USER MOD Set 2.2: A 55 ASN : amide:sc= -1.59! K(o=-2.3!,f=2.9) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.818 USER MOD Set 3.2: A 62 THR OG1 : rot -93:sc= 1.02 USER MOD Set 4.1: A 14 THR OG1 : rot 97:sc= 0.976 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 0 SER N :NH3+ -151:sc= 0.226 (180deg=0.00117) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.17) USER MOD Single : A 16 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-5.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0531) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 28:sc= 0.31 USER MOD Single : A 32 LYS NZ :NH3+ -126:sc= 0.951 (180deg=-1.78) USER MOD Single : A 34 THR OG1 : rot 63:sc= 1.15 USER MOD Single : A 36 TYR OH : rot 180:sc= -1.85! USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= -0.967 (180deg=-1.04) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -5.9! C(o=-5.9!,f=-9.4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.126 USER MOD Single : A 59 ASN : amide:sc= -0.901 X(o=-0.9,f=-0.45) USER MOD Single : A 64 SER OG : rot 180:sc= -0.117 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -11.9! C(o=-12!,f=-11!) USER MOD Single : A 86 SER OG : rot -35:sc= -0.446! USER MOD Single : A 89 SER OG : rot 79:sc= -0.308 USER MOD Single : A 92 SER OG : rot -91:sc= -1.8! USER MOD Single : A 96 THR OG1 : rot 180:sc=0.000313 USER MOD Single : A 97 CYS SG : rot 73:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.737 -4.632 -7.115 1.00 2.05 N ATOM 2 CA SER A 0 -23.912 -3.840 -6.165 1.00 1.55 C ATOM 3 C SER A 0 -22.431 -3.903 -6.537 1.00 1.39 C ATOM 4 O SER A 0 -21.695 -4.754 -6.038 1.00 1.50 O ATOM 5 CB SER A 0 -24.126 -4.391 -4.754 1.00 2.08 C ATOM 6 OG SER A 0 -24.228 -5.805 -4.766 1.00 2.74 O ATOM 0 H1 SER A 0 -25.689 -4.218 -7.176 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.293 -4.619 -8.055 1.00 2.05 H new ATOM 0 H3 SER A 0 -24.807 -5.614 -6.779 1.00 2.05 H new ATOM 0 HA SER A 0 -24.219 -2.795 -6.210 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.298 -4.089 -4.113 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.032 -3.962 -4.327 1.00 2.08 H new ATOM 0 HG SER A 0 -24.363 -6.131 -3.852 1.00 2.74 H new ATOM 12 N PRO A 1 -21.978 -3.000 -7.420 1.00 1.23 N ATOM 13 CA PRO A 1 -20.585 -2.951 -7.861 1.00 1.19 C ATOM 14 C PRO A 1 -19.665 -2.358 -6.802 1.00 1.24 C ATOM 15 O PRO A 1 -20.109 -1.628 -5.916 1.00 2.06 O ATOM 16 CB PRO A 1 -20.620 -2.040 -9.102 1.00 1.18 C ATOM 17 CG PRO A 1 -22.065 -1.761 -9.368 1.00 1.26 C ATOM 18 CD PRO A 1 -22.778 -1.954 -8.061 1.00 1.24 C ATOM 0 HA PRO A 1 -20.194 -3.948 -8.062 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.071 -1.116 -8.923 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.153 -2.528 -9.957 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.203 -0.746 -9.740 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.458 -2.436 -10.129 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.799 -1.038 -7.470 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.813 -2.264 -8.204 1.00 1.24 H new ATOM 26 N ILE A 2 -18.381 -2.673 -6.904 1.00 0.68 N ATOM 27 CA ILE A 2 -17.393 -2.171 -5.961 1.00 0.61 C ATOM 28 C ILE A 2 -16.093 -1.817 -6.672 1.00 0.57 C ATOM 29 O ILE A 2 -15.720 -2.455 -7.658 1.00 0.63 O ATOM 30 CB ILE A 2 -17.100 -3.195 -4.846 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.234 -2.543 -3.759 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.428 -4.432 -5.430 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.605 -3.513 -2.773 1.00 0.56 C ATOM 0 H ILE A 2 -17.999 -3.276 -7.633 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.814 -1.273 -5.508 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.037 -3.514 -4.388 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.440 -1.973 -4.241 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.847 -1.831 -3.205 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.226 -5.147 -4.633 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.086 -4.889 -6.169 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.490 -4.146 -5.906 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.013 -2.959 -2.045 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.389 -4.067 -2.257 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.961 -4.210 -3.309 1.00 0.56 H new ATOM 45 N ASP A 3 -15.405 -0.798 -6.170 1.00 0.55 N ATOM 46 CA ASP A 3 -14.149 -0.362 -6.766 1.00 0.54 C ATOM 47 C ASP A 3 -13.101 -0.065 -5.690 1.00 0.47 C ATOM 48 O ASP A 3 -13.320 0.778 -4.820 1.00 0.49 O ATOM 49 CB ASP A 3 -14.382 0.883 -7.622 1.00 0.61 C ATOM 50 CG ASP A 3 -14.978 0.552 -8.975 1.00 1.15 C ATOM 51 OD1 ASP A 3 -14.317 -0.164 -9.756 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.106 1.009 -9.254 1.00 2.00 O ATOM 0 H ASP A 3 -15.695 -0.260 -5.354 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.773 -1.169 -7.394 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.047 1.565 -7.092 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.436 1.406 -7.763 1.00 0.61 H new ATOM 57 N PRO A 4 -11.941 -0.748 -5.733 1.00 0.44 N ATOM 58 CA PRO A 4 -10.869 -0.534 -4.756 1.00 0.41 C ATOM 59 C PRO A 4 -10.219 0.837 -4.922 1.00 0.38 C ATOM 60 O PRO A 4 -10.470 1.535 -5.904 1.00 0.43 O ATOM 61 CB PRO A 4 -9.873 -1.658 -5.063 1.00 0.45 C ATOM 62 CG PRO A 4 -10.116 -2.003 -6.491 1.00 0.50 C ATOM 63 CD PRO A 4 -11.582 -1.770 -6.733 1.00 0.50 C ATOM 0 HA PRO A 4 -11.232 -0.554 -3.728 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.846 -1.330 -4.905 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.036 -2.519 -4.415 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.509 -1.383 -7.150 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.848 -3.040 -6.692 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.770 -1.421 -7.748 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.161 -2.684 -6.598 1.00 0.50 H new ATOM 71 N PRO A 5 -9.375 1.248 -3.961 1.00 0.37 N ATOM 72 CA PRO A 5 -8.694 2.546 -4.008 1.00 0.39 C ATOM 73 C PRO A 5 -7.929 2.758 -5.310 1.00 0.38 C ATOM 74 O PRO A 5 -7.659 1.810 -6.048 1.00 0.47 O ATOM 75 CB PRO A 5 -7.725 2.501 -2.817 1.00 0.46 C ATOM 76 CG PRO A 5 -7.681 1.071 -2.394 1.00 0.71 C ATOM 77 CD PRO A 5 -9.015 0.490 -2.756 1.00 0.43 C ATOM 0 HA PRO A 5 -9.405 3.371 -3.959 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.735 2.857 -3.103 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.071 3.140 -2.005 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.874 0.540 -2.899 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.497 0.987 -1.323 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.952 -0.580 -2.954 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.746 0.624 -1.959 1.00 0.43 H new ATOM 85 N GLY A 6 -7.584 4.012 -5.587 1.00 0.37 N ATOM 86 CA GLY A 6 -6.853 4.335 -6.801 1.00 0.39 C ATOM 87 C GLY A 6 -5.458 3.742 -6.818 1.00 0.42 C ATOM 88 O GLY A 6 -4.986 3.218 -5.810 1.00 0.66 O ATOM 0 H GLY A 6 -7.798 4.812 -4.992 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.410 3.969 -7.664 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.784 5.418 -6.902 1.00 0.39 H new ATOM 92 N LYS A 7 -4.795 3.829 -7.969 1.00 0.41 N ATOM 93 CA LYS A 7 -3.444 3.299 -8.116 1.00 0.44 C ATOM 94 C LYS A 7 -2.510 3.907 -7.070 1.00 0.37 C ATOM 95 O LYS A 7 -2.431 5.129 -6.945 1.00 0.42 O ATOM 96 CB LYS A 7 -2.910 3.585 -9.521 1.00 0.54 C ATOM 97 CG LYS A 7 -2.037 2.471 -10.076 1.00 0.64 C ATOM 98 CD LYS A 7 -0.853 3.025 -10.853 1.00 1.01 C ATOM 99 CE LYS A 7 0.464 2.696 -10.167 1.00 0.95 C ATOM 100 NZ LYS A 7 1.558 2.455 -11.147 1.00 1.52 N ATOM 0 H LYS A 7 -5.172 4.261 -8.812 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.483 2.220 -7.964 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.751 3.747 -10.195 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.335 4.511 -9.501 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.677 1.848 -9.258 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.633 1.830 -10.726 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.853 2.612 -11.862 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.954 4.106 -10.951 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.743 3.517 -9.506 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.336 1.812 -9.542 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.438 2.234 -10.638 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.304 1.656 -11.762 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.698 3.307 -11.727 1.00 1.52 H new ATOM 114 N PRO A 8 -1.786 3.073 -6.299 1.00 0.34 N ATOM 115 CA PRO A 8 -0.867 3.564 -5.272 1.00 0.32 C ATOM 116 C PRO A 8 0.427 4.108 -5.869 1.00 0.33 C ATOM 117 O PRO A 8 1.081 3.443 -6.672 1.00 0.44 O ATOM 118 CB PRO A 8 -0.585 2.331 -4.400 1.00 0.39 C ATOM 119 CG PRO A 8 -1.427 1.221 -4.950 1.00 0.44 C ATOM 120 CD PRO A 8 -1.795 1.604 -6.354 1.00 0.41 C ATOM 0 HA PRO A 8 -1.296 4.395 -4.713 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.472 2.068 -4.430 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.835 2.528 -3.357 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.879 0.279 -4.938 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.321 1.077 -4.343 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.077 1.221 -7.080 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.773 1.215 -6.637 1.00 0.41 H new ATOM 128 N VAL A 9 0.791 5.326 -5.473 1.00 0.34 N ATOM 129 CA VAL A 9 2.006 5.962 -5.971 1.00 0.38 C ATOM 130 C VAL A 9 2.857 6.518 -4.826 1.00 0.34 C ATOM 131 O VAL A 9 2.473 7.491 -4.176 1.00 0.35 O ATOM 132 CB VAL A 9 1.676 7.108 -6.946 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.919 8.216 -6.230 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.946 7.646 -7.587 1.00 0.53 C ATOM 0 H VAL A 9 0.261 5.891 -4.809 1.00 0.34 H new ATOM 0 HA VAL A 9 2.570 5.191 -6.495 1.00 0.38 H new ATOM 0 HB VAL A 9 1.037 6.716 -7.737 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.694 9.017 -6.934 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.011 7.818 -5.824 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.531 8.608 -5.417 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.693 8.455 -8.273 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.613 8.023 -6.812 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.443 6.847 -8.137 1.00 0.53 H new ATOM 144 N PRO A 10 4.024 5.904 -4.556 1.00 0.34 N ATOM 145 CA PRO A 10 4.913 6.344 -3.480 1.00 0.32 C ATOM 146 C PRO A 10 5.368 7.793 -3.622 1.00 0.37 C ATOM 147 O PRO A 10 6.255 8.098 -4.419 1.00 0.64 O ATOM 148 CB PRO A 10 6.120 5.414 -3.581 1.00 0.38 C ATOM 149 CG PRO A 10 5.654 4.237 -4.365 1.00 0.39 C ATOM 150 CD PRO A 10 4.557 4.731 -5.265 1.00 0.42 C ATOM 0 HA PRO A 10 4.397 6.301 -2.521 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.956 5.909 -4.076 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.467 5.114 -2.592 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.471 3.811 -4.947 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.289 3.451 -3.704 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.938 4.998 -6.251 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.790 3.971 -5.415 1.00 0.42 H new ATOM 158 N LEU A 11 4.772 8.679 -2.831 1.00 0.34 N ATOM 159 CA LEU A 11 5.140 10.090 -2.861 1.00 0.43 C ATOM 160 C LEU A 11 6.575 10.255 -2.377 1.00 0.43 C ATOM 161 O LEU A 11 7.288 11.171 -2.787 1.00 0.57 O ATOM 162 CB LEU A 11 4.203 10.907 -1.970 1.00 0.56 C ATOM 163 CG LEU A 11 2.738 10.468 -1.991 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.300 10.010 -0.607 1.00 1.12 C ATOM 165 CD2 LEU A 11 1.850 11.599 -2.489 1.00 1.64 C ATOM 0 H LEU A 11 4.036 8.447 -2.164 1.00 0.34 H new ATOM 0 HA LEU A 11 5.054 10.452 -3.886 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.567 10.855 -0.944 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.257 11.952 -2.275 1.00 0.56 H new ATOM 0 HG LEU A 11 2.638 9.627 -2.678 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.255 9.701 -0.640 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.917 9.169 -0.290 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.414 10.831 0.101 1.00 1.12 H new ATOM 0 HD21 LEU A 11 0.811 11.269 -2.497 1.00 1.64 H new ATOM 0 HD22 LEU A 11 1.952 12.460 -1.828 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.150 11.879 -3.499 1.00 1.64 H new ATOM 177 N ASN A 12 6.985 9.347 -1.497 1.00 0.34 N ATOM 178 CA ASN A 12 8.326 9.349 -0.934 1.00 0.36 C ATOM 179 C ASN A 12 8.727 7.922 -0.590 1.00 0.37 C ATOM 180 O ASN A 12 7.867 7.076 -0.348 1.00 0.58 O ATOM 181 CB ASN A 12 8.380 10.226 0.318 1.00 0.42 C ATOM 182 CG ASN A 12 9.797 10.472 0.795 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.395 11.505 0.493 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.341 9.520 1.543 1.00 0.71 N ATOM 0 H ASN A 12 6.394 8.589 -1.155 1.00 0.34 H new ATOM 0 HA ASN A 12 9.021 9.757 -1.668 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.900 11.182 0.109 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.809 9.750 1.116 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.293 9.628 1.893 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.807 8.681 1.768 1.00 0.71 H new ATOM 191 N ILE A 13 10.022 7.646 -0.576 1.00 0.38 N ATOM 192 CA ILE A 13 10.491 6.304 -0.265 1.00 0.43 C ATOM 193 C ILE A 13 11.786 6.323 0.529 1.00 0.53 C ATOM 194 O ILE A 13 12.830 6.741 0.030 1.00 0.75 O ATOM 195 CB ILE A 13 10.692 5.467 -1.541 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.262 6.330 -2.675 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.377 4.827 -1.954 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.241 7.232 -3.333 1.00 0.96 C ATOM 0 H ILE A 13 10.759 8.323 -0.774 1.00 0.38 H new ATOM 0 HA ILE A 13 9.714 5.844 0.346 1.00 0.43 H new ATOM 0 HB ILE A 13 11.413 4.677 -1.331 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.072 6.943 -2.280 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.696 5.677 -3.432 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.528 4.236 -2.858 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.020 4.180 -1.153 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.639 5.605 -2.148 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.721 7.809 -4.123 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.442 6.626 -3.760 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.823 7.912 -2.590 1.00 0.96 H new ATOM 210 N THR A 14 11.708 5.856 1.770 1.00 0.59 N ATOM 211 CA THR A 14 12.868 5.805 2.646 1.00 0.71 C ATOM 212 C THR A 14 13.443 4.392 2.680 1.00 0.79 C ATOM 213 O THR A 14 12.738 3.421 2.406 1.00 1.46 O ATOM 214 CB THR A 14 12.488 6.255 4.058 1.00 0.75 C ATOM 215 OG1 THR A 14 11.451 7.220 4.013 1.00 0.69 O ATOM 216 CG2 THR A 14 13.642 6.863 4.825 1.00 0.94 C ATOM 0 H THR A 14 10.848 5.506 2.192 1.00 0.59 H new ATOM 0 HA THR A 14 13.628 6.483 2.257 1.00 0.71 H new ATOM 0 HB THR A 14 12.167 5.349 4.572 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.588 6.779 4.157 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.303 7.160 5.817 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.443 6.129 4.920 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.013 7.738 4.291 1.00 0.94 H new ATOM 224 N ARG A 15 14.721 4.285 3.013 1.00 0.66 N ATOM 225 CA ARG A 15 15.387 2.989 3.075 1.00 0.67 C ATOM 226 C ARG A 15 14.666 2.049 4.038 1.00 0.71 C ATOM 227 O ARG A 15 14.781 0.829 3.929 1.00 1.19 O ATOM 228 CB ARG A 15 16.847 3.158 3.502 1.00 0.80 C ATOM 229 CG ARG A 15 17.526 4.381 2.911 1.00 0.96 C ATOM 230 CD ARG A 15 17.888 5.387 3.992 1.00 1.13 C ATOM 231 NE ARG A 15 19.112 6.118 3.676 1.00 1.43 N ATOM 232 CZ ARG A 15 19.767 6.870 4.554 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.316 6.988 5.797 1.00 1.90 N ATOM 234 NH2 ARG A 15 20.874 7.504 4.191 1.00 2.42 N ATOM 0 H ARG A 15 15.319 5.079 3.245 1.00 0.66 H new ATOM 0 HA ARG A 15 15.358 2.548 2.078 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.892 3.220 4.589 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.405 2.269 3.210 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.427 4.077 2.377 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.866 4.850 2.181 1.00 0.96 H new ATOM 0 HD2 ARG A 15 17.067 6.093 4.119 1.00 1.13 H new ATOM 0 HD3 ARG A 15 18.012 4.868 4.943 1.00 1.13 H new ATOM 0 HE ARG A 15 19.485 6.047 2.729 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.465 6.501 6.079 1.00 1.90 H new ATOM 0 HH12 ARG A 15 19.820 7.566 6.470 1.00 1.90 H new ATOM 0 HH21 ARG A 15 21.223 7.415 3.237 1.00 2.42 H new ATOM 0 HH22 ARG A 15 21.376 8.081 4.866 1.00 2.42 H new ATOM 248 N HIS A 16 13.922 2.624 4.979 1.00 0.50 N ATOM 249 CA HIS A 16 13.185 1.833 5.958 1.00 0.54 C ATOM 250 C HIS A 16 11.808 2.433 6.225 1.00 0.57 C ATOM 251 O HIS A 16 11.238 2.245 7.301 1.00 0.97 O ATOM 252 CB HIS A 16 13.975 1.738 7.265 1.00 0.67 C ATOM 253 CG HIS A 16 15.164 0.832 7.180 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.145 -0.495 7.547 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.429 1.086 6.757 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.371 -0.995 7.341 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.187 -0.076 6.862 1.00 0.86 N ATOM 0 H HIS A 16 13.814 3.633 5.084 1.00 0.50 H new ATOM 0 HA HIS A 16 13.049 0.832 5.548 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.308 2.735 7.552 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.313 1.383 8.055 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.341 -1.006 7.911 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.789 2.038 6.397 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.654 -2.018 7.541 1.00 1.02 H new ATOM 265 N THR A 17 11.275 3.152 5.243 1.00 0.43 N ATOM 266 CA THR A 17 9.960 3.773 5.382 1.00 0.42 C ATOM 267 C THR A 17 9.475 4.337 4.052 1.00 0.38 C ATOM 268 O THR A 17 9.843 5.445 3.666 1.00 0.56 O ATOM 269 CB THR A 17 9.998 4.885 6.429 1.00 0.56 C ATOM 270 OG1 THR A 17 11.329 5.301 6.673 1.00 0.65 O ATOM 271 CG2 THR A 17 9.391 4.481 7.755 1.00 0.68 C ATOM 0 H THR A 17 11.730 3.320 4.345 1.00 0.43 H new ATOM 0 HA THR A 17 9.263 3.000 5.707 1.00 0.42 H new ATOM 0 HB THR A 17 9.403 5.696 6.009 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.331 6.014 7.345 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.451 5.317 8.452 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.347 4.205 7.608 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.938 3.630 8.161 1.00 0.68 H new ATOM 279 N VAL A 18 8.646 3.570 3.357 1.00 0.27 N ATOM 280 CA VAL A 18 8.112 4.002 2.072 1.00 0.33 C ATOM 281 C VAL A 18 6.744 4.660 2.242 1.00 0.32 C ATOM 282 O VAL A 18 5.849 4.107 2.878 1.00 0.51 O ATOM 283 CB VAL A 18 8.011 2.823 1.084 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.346 3.259 -0.212 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.392 2.247 0.807 1.00 0.46 C ATOM 0 H VAL A 18 8.329 2.649 3.660 1.00 0.27 H new ATOM 0 HA VAL A 18 8.805 4.737 1.662 1.00 0.33 H new ATOM 0 HB VAL A 18 7.394 2.047 1.537 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.286 2.410 -0.893 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.342 3.626 -0.000 1.00 0.80 H new ATOM 0 HG13 VAL A 18 7.933 4.053 -0.673 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.306 1.415 0.108 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.028 3.019 0.375 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.832 1.893 1.739 1.00 0.46 H new ATOM 295 N THR A 19 6.602 5.849 1.668 1.00 0.27 N ATOM 296 CA THR A 19 5.358 6.609 1.748 1.00 0.24 C ATOM 297 C THR A 19 4.608 6.575 0.417 1.00 0.22 C ATOM 298 O THR A 19 5.168 6.928 -0.618 1.00 0.34 O ATOM 299 CB THR A 19 5.684 8.060 2.129 1.00 0.28 C ATOM 300 OG1 THR A 19 6.035 8.153 3.497 1.00 0.35 O ATOM 301 CG2 THR A 19 4.553 9.039 1.879 1.00 0.32 C ATOM 0 H THR A 19 7.340 6.312 1.137 1.00 0.27 H new ATOM 0 HA THR A 19 4.717 6.159 2.506 1.00 0.24 H new ATOM 0 HB THR A 19 6.516 8.334 1.480 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.241 9.085 3.719 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.866 10.040 2.175 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.298 9.037 0.819 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.681 8.744 2.463 1.00 0.32 H new ATOM 309 N LEU A 20 3.338 6.163 0.446 1.00 0.28 N ATOM 310 CA LEU A 20 2.545 6.111 -0.772 1.00 0.26 C ATOM 311 C LEU A 20 1.131 6.628 -0.551 1.00 0.28 C ATOM 312 O LEU A 20 0.585 6.577 0.555 1.00 0.40 O ATOM 313 CB LEU A 20 2.500 4.699 -1.383 1.00 0.33 C ATOM 314 CG LEU A 20 2.744 3.517 -0.436 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.128 3.594 0.173 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.678 3.450 0.643 1.00 0.52 C ATOM 0 H LEU A 20 2.848 5.866 1.290 1.00 0.28 H new ATOM 0 HA LEU A 20 3.046 6.768 -1.483 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.524 4.563 -1.848 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.242 4.652 -2.180 1.00 0.33 H new ATOM 0 HG LEU A 20 2.681 2.599 -1.021 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.279 2.746 0.841 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.876 3.570 -0.619 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.226 4.522 0.736 1.00 0.50 H new ATOM 0 HD21 LEU A 20 1.877 2.603 1.299 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.692 4.371 1.226 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.699 3.328 0.180 1.00 0.52 H new ATOM 328 N LYS A 21 0.558 7.128 -1.637 1.00 0.25 N ATOM 329 CA LYS A 21 -0.795 7.672 -1.634 1.00 0.31 C ATOM 330 C LYS A 21 -1.613 7.034 -2.753 1.00 0.31 C ATOM 331 O LYS A 21 -1.137 6.126 -3.433 1.00 0.51 O ATOM 332 CB LYS A 21 -0.753 9.192 -1.820 1.00 0.40 C ATOM 333 CG LYS A 21 -1.261 9.971 -0.619 1.00 0.81 C ATOM 334 CD LYS A 21 -2.743 9.736 -0.387 1.00 0.95 C ATOM 335 CE LYS A 21 -3.596 10.558 -1.341 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.495 11.497 -0.615 1.00 1.84 N ATOM 0 H LYS A 21 1.018 7.168 -2.547 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.264 7.447 -0.676 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.273 9.495 -2.030 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -1.349 9.458 -2.693 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.702 9.677 0.269 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.080 11.035 -0.772 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.969 8.677 -0.516 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.996 9.993 0.642 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.949 11.122 -2.013 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.194 9.890 -1.961 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.059 12.038 -1.301 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -5.131 10.958 0.007 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.924 12.152 -0.043 1.00 1.84 H new ATOM 350 N TRP A 22 -2.837 7.512 -2.947 1.00 0.25 N ATOM 351 CA TRP A 22 -3.698 6.977 -3.993 1.00 0.24 C ATOM 352 C TRP A 22 -5.050 7.680 -4.024 1.00 0.24 C ATOM 353 O TRP A 22 -5.459 8.310 -3.049 1.00 0.40 O ATOM 354 CB TRP A 22 -3.892 5.469 -3.819 1.00 0.27 C ATOM 355 CG TRP A 22 -4.520 5.062 -2.520 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.853 4.928 -2.264 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.841 4.719 -1.303 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.047 4.525 -0.965 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.828 4.389 -0.355 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.497 4.655 -0.923 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.513 4.006 0.948 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.187 4.276 0.370 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.191 3.954 1.291 1.00 0.32 C ATOM 0 H TRP A 22 -3.253 8.264 -2.397 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.202 7.161 -4.946 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.511 5.100 -4.637 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.922 4.980 -3.907 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.642 5.112 -2.979 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.952 4.355 -0.526 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.715 4.897 -1.627 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.286 3.759 1.661 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.152 4.227 0.675 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.915 3.659 2.293 1.00 0.32 H new ATOM 374 N ALA A 23 -5.733 7.566 -5.158 1.00 0.31 N ATOM 375 CA ALA A 23 -7.038 8.186 -5.339 1.00 0.33 C ATOM 376 C ALA A 23 -8.117 7.444 -4.559 1.00 0.36 C ATOM 377 O ALA A 23 -8.065 6.224 -4.412 1.00 0.83 O ATOM 378 CB ALA A 23 -7.393 8.229 -6.817 1.00 0.36 C ATOM 0 H ALA A 23 -5.400 7.046 -5.970 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.986 9.204 -4.952 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.371 8.694 -6.943 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.643 8.809 -7.355 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.420 7.214 -7.214 1.00 0.36 H new ATOM 384 N LYS A 24 -9.097 8.191 -4.064 1.00 0.59 N ATOM 385 CA LYS A 24 -10.193 7.608 -3.303 1.00 0.61 C ATOM 386 C LYS A 24 -11.257 7.047 -4.240 1.00 0.59 C ATOM 387 O LYS A 24 -11.581 7.658 -5.258 1.00 0.69 O ATOM 388 CB LYS A 24 -10.815 8.659 -2.379 1.00 0.74 C ATOM 389 CG LYS A 24 -11.614 8.066 -1.227 1.00 1.21 C ATOM 390 CD LYS A 24 -13.034 7.712 -1.646 1.00 1.22 C ATOM 391 CE LYS A 24 -14.004 8.844 -1.347 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.300 8.953 0.108 1.00 2.11 N ATOM 0 H LYS A 24 -9.154 9.203 -4.177 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.795 6.793 -2.698 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.022 9.288 -1.974 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.467 9.306 -2.966 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.111 7.172 -0.858 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.645 8.778 -0.402 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.054 7.487 -2.712 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.354 6.810 -1.124 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.585 9.785 -1.703 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.932 8.681 -1.895 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.129 9.564 0.249 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.497 8.008 0.494 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.480 9.363 0.599 1.00 2.11 H new ATOM 406 N PRO A 25 -11.823 5.876 -3.907 1.00 0.56 N ATOM 407 CA PRO A 25 -12.858 5.246 -4.725 1.00 0.63 C ATOM 408 C PRO A 25 -13.899 6.250 -5.204 1.00 0.75 C ATOM 409 O PRO A 25 -13.995 7.359 -4.678 1.00 0.89 O ATOM 410 CB PRO A 25 -13.478 4.233 -3.767 1.00 0.63 C ATOM 411 CG PRO A 25 -12.353 3.842 -2.872 1.00 0.71 C ATOM 412 CD PRO A 25 -11.505 5.077 -2.707 1.00 0.58 C ATOM 0 HA PRO A 25 -12.459 4.801 -5.637 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.302 4.670 -3.203 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.879 3.372 -4.302 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.724 3.492 -1.909 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.774 3.027 -3.306 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.751 5.614 -1.791 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.444 4.832 -2.658 1.00 0.58 H new ATOM 420 N GLU A 26 -14.673 5.856 -6.208 1.00 0.85 N ATOM 421 CA GLU A 26 -15.704 6.726 -6.762 1.00 1.05 C ATOM 422 C GLU A 26 -17.080 6.082 -6.667 1.00 0.95 C ATOM 423 O GLU A 26 -18.071 6.760 -6.396 1.00 1.12 O ATOM 424 CB GLU A 26 -15.382 7.064 -8.218 1.00 1.29 C ATOM 425 CG GLU A 26 -13.995 7.655 -8.410 1.00 1.83 C ATOM 426 CD GLU A 26 -12.960 6.606 -8.767 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.287 5.695 -9.557 1.00 2.53 O ATOM 428 OE2 GLU A 26 -11.825 6.695 -8.258 1.00 2.77 O ATOM 0 H GLU A 26 -14.607 4.941 -6.655 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.720 7.645 -6.175 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.470 6.160 -8.821 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.124 7.770 -8.592 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.030 8.408 -9.197 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.691 8.164 -7.495 1.00 1.83 H new ATOM 435 N TYR A 27 -17.141 4.774 -6.894 1.00 0.85 N ATOM 436 CA TYR A 27 -18.410 4.062 -6.829 1.00 0.84 C ATOM 437 C TYR A 27 -18.532 3.255 -5.541 1.00 0.86 C ATOM 438 O TYR A 27 -19.321 3.597 -4.660 1.00 1.37 O ATOM 439 CB TYR A 27 -18.581 3.142 -8.041 1.00 0.86 C ATOM 440 CG TYR A 27 -20.029 2.955 -8.441 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.709 3.946 -9.139 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.720 1.796 -8.111 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.034 3.782 -9.501 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.041 1.625 -8.467 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.695 2.620 -9.162 1.00 1.19 C ATOM 446 OH TYR A 27 -24.013 2.454 -9.519 1.00 1.35 O ATOM 0 H TYR A 27 -16.335 4.191 -7.122 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.203 4.810 -6.839 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.027 3.554 -8.884 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.143 2.169 -7.817 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.195 4.858 -9.403 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.213 1.014 -7.565 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.548 4.560 -10.046 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.561 0.716 -8.203 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.329 1.581 -9.206 1.00 1.35 H new ATOM 456 N THR A 28 -17.757 2.177 -5.436 1.00 0.65 N ATOM 457 CA THR A 28 -17.792 1.320 -4.252 1.00 0.61 C ATOM 458 C THR A 28 -19.232 1.005 -3.861 1.00 0.66 C ATOM 459 O THR A 28 -19.588 1.007 -2.683 1.00 0.81 O ATOM 460 CB THR A 28 -17.060 1.983 -3.086 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.488 3.322 -2.920 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.558 1.996 -3.262 1.00 0.79 C ATOM 0 H THR A 28 -17.098 1.877 -6.155 1.00 0.65 H new ATOM 0 HA THR A 28 -17.285 0.386 -4.493 1.00 0.61 H new ATOM 0 HB THR A 28 -17.304 1.384 -2.209 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.411 3.412 -3.236 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.095 2.480 -2.402 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.192 0.972 -3.343 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.303 2.545 -4.168 1.00 0.79 H new ATOM 470 N GLY A 29 -20.053 0.740 -4.870 1.00 0.75 N ATOM 471 CA GLY A 29 -21.450 0.426 -4.643 1.00 0.80 C ATOM 472 C GLY A 29 -22.114 1.393 -3.677 1.00 0.85 C ATOM 473 O GLY A 29 -22.535 2.482 -4.069 1.00 1.01 O ATOM 0 H GLY A 29 -19.772 0.737 -5.850 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.982 0.444 -5.594 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.532 -0.588 -4.251 1.00 0.80 H new ATOM 477 N GLY A 30 -22.199 0.998 -2.412 1.00 0.83 N ATOM 478 CA GLY A 30 -22.805 1.841 -1.396 1.00 0.89 C ATOM 479 C GLY A 30 -22.110 1.660 -0.066 1.00 0.85 C ATOM 480 O GLY A 30 -22.718 1.227 0.913 1.00 0.98 O ATOM 0 H GLY A 30 -21.856 0.101 -2.069 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.748 2.886 -1.702 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.862 1.595 -1.296 1.00 0.89 H new ATOM 484 N PHE A 31 -20.822 1.970 -0.048 1.00 0.73 N ATOM 485 CA PHE A 31 -20.008 1.818 1.148 1.00 0.69 C ATOM 486 C PHE A 31 -19.203 3.077 1.456 1.00 0.67 C ATOM 487 O PHE A 31 -19.373 4.115 0.816 1.00 0.74 O ATOM 488 CB PHE A 31 -19.051 0.653 0.943 1.00 0.63 C ATOM 489 CG PHE A 31 -19.651 -0.506 0.192 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.807 -1.122 0.650 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.058 -0.983 -0.966 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.360 -2.188 -0.034 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.606 -2.049 -1.653 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.761 -2.642 -1.202 1.00 0.83 C ATOM 0 H PHE A 31 -20.315 2.331 -0.856 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.674 1.635 1.991 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.173 1.008 0.403 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.707 0.303 1.916 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.280 -0.764 1.552 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.157 -0.516 -1.336 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.254 -2.666 0.338 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.125 -2.418 -2.547 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.202 -3.459 -1.754 1.00 0.83 H new ATOM 504 N LYS A 32 -18.314 2.962 2.441 1.00 0.68 N ATOM 505 CA LYS A 32 -17.457 4.072 2.849 1.00 0.72 C ATOM 506 C LYS A 32 -16.089 3.579 3.346 1.00 0.66 C ATOM 507 O LYS A 32 -15.341 4.334 3.965 1.00 0.74 O ATOM 508 CB LYS A 32 -18.145 4.905 3.935 1.00 0.86 C ATOM 509 CG LYS A 32 -18.149 4.254 5.309 1.00 1.38 C ATOM 510 CD LYS A 32 -17.611 5.200 6.372 1.00 1.38 C ATOM 511 CE LYS A 32 -16.280 4.717 6.928 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.394 3.369 7.551 1.00 2.26 N ATOM 0 H LYS A 32 -18.169 2.105 2.974 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.287 4.697 1.972 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.648 5.873 4.005 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -19.175 5.097 3.633 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -19.164 3.953 5.568 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.544 3.348 5.286 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.488 6.196 5.946 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.335 5.287 7.182 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.542 4.685 6.126 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.916 5.429 7.668 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.029 3.404 8.524 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -17.392 3.077 7.566 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.841 2.683 6.998 1.00 2.26 H new ATOM 526 N ILE A 33 -15.766 2.315 3.060 1.00 0.67 N ATOM 527 CA ILE A 33 -14.489 1.727 3.467 1.00 0.66 C ATOM 528 C ILE A 33 -14.261 1.810 4.970 1.00 0.80 C ATOM 529 O ILE A 33 -14.791 2.686 5.651 1.00 1.71 O ATOM 530 CB ILE A 33 -13.309 2.385 2.729 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.516 2.259 1.217 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.990 1.749 3.154 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.317 2.663 0.388 1.00 0.91 C ATOM 0 H ILE A 33 -16.374 1.678 2.546 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.541 0.673 3.193 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.267 3.442 2.991 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.774 1.226 0.982 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.368 2.874 0.926 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.167 2.227 2.622 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.852 1.879 4.227 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.006 0.685 2.917 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.549 2.543 -0.670 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.070 3.705 0.590 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.467 2.032 0.646 1.00 0.91 H new ATOM 545 N THR A 34 -13.459 0.877 5.475 1.00 0.72 N ATOM 546 CA THR A 34 -13.139 0.816 6.894 1.00 0.73 C ATOM 547 C THR A 34 -11.627 0.759 7.101 1.00 0.59 C ATOM 548 O THR A 34 -11.110 -0.158 7.738 1.00 0.76 O ATOM 549 CB THR A 34 -13.811 -0.402 7.533 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.035 -1.569 7.333 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.198 -0.674 6.987 1.00 1.15 C ATOM 0 H THR A 34 -13.017 0.148 4.915 1.00 0.72 H new ATOM 0 HA THR A 34 -13.517 1.718 7.375 1.00 0.73 H new ATOM 0 HB THR A 34 -13.894 -0.162 8.593 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.166 -1.463 7.773 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.618 -1.550 7.481 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.838 0.189 7.172 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.137 -0.857 5.914 1.00 1.15 H new ATOM 559 N SER A 35 -10.931 1.753 6.543 1.00 0.49 N ATOM 560 CA SER A 35 -9.467 1.857 6.634 1.00 0.47 C ATOM 561 C SER A 35 -8.808 1.076 5.511 1.00 0.45 C ATOM 562 O SER A 35 -9.389 0.129 4.998 1.00 0.72 O ATOM 563 CB SER A 35 -8.936 1.350 7.975 1.00 0.64 C ATOM 564 OG SER A 35 -7.977 2.244 8.514 1.00 1.58 O ATOM 0 H SER A 35 -11.364 2.510 6.014 1.00 0.49 H new ATOM 0 HA SER A 35 -9.220 2.915 6.547 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.762 1.232 8.676 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.487 0.366 7.843 1.00 0.64 H new ATOM 0 HG SER A 35 -8.370 3.138 8.591 1.00 1.58 H new ATOM 570 N TYR A 36 -7.596 1.482 5.138 1.00 0.27 N ATOM 571 CA TYR A 36 -6.856 0.823 4.064 1.00 0.28 C ATOM 572 C TYR A 36 -5.707 -0.032 4.603 1.00 0.33 C ATOM 573 O TYR A 36 -5.202 0.196 5.701 1.00 0.68 O ATOM 574 CB TYR A 36 -6.300 1.876 3.097 1.00 0.29 C ATOM 575 CG TYR A 36 -7.362 2.641 2.338 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.067 2.044 1.301 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.655 3.961 2.656 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.034 2.742 0.603 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.621 4.665 1.964 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.308 4.051 0.938 1.00 0.60 C ATOM 581 OH TYR A 36 -10.271 4.747 0.245 1.00 0.76 O ATOM 0 H TYR A 36 -7.104 2.267 5.565 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.549 0.162 3.543 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.690 2.583 3.659 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.641 1.384 2.382 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.856 1.018 1.036 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.118 4.445 3.458 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.573 2.264 -0.202 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.837 5.690 2.225 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.342 5.655 0.606 1.00 0.76 H new ATOM 591 N ILE A 37 -5.304 -1.013 3.801 1.00 0.24 N ATOM 592 CA ILE A 37 -4.216 -1.921 4.143 1.00 0.26 C ATOM 593 C ILE A 37 -3.126 -1.838 3.076 1.00 0.33 C ATOM 594 O ILE A 37 -3.340 -1.254 2.013 1.00 0.70 O ATOM 595 CB ILE A 37 -4.704 -3.384 4.252 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.115 -3.439 4.850 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.735 -4.198 5.097 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.726 -4.824 4.836 1.00 1.14 C ATOM 0 H ILE A 37 -5.726 -1.201 2.891 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.824 -1.618 5.114 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.741 -3.814 3.251 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.079 -3.077 5.878 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.762 -2.760 4.295 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.089 -5.227 5.167 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.748 -4.184 4.634 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.673 -3.767 6.096 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.723 -4.786 5.274 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.794 -5.181 3.808 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.101 -5.503 5.415 1.00 1.14 H new ATOM 610 N VAL A 38 -1.961 -2.411 3.352 1.00 0.36 N ATOM 611 CA VAL A 38 -0.864 -2.375 2.390 1.00 0.42 C ATOM 612 C VAL A 38 -0.020 -3.642 2.440 1.00 0.35 C ATOM 613 O VAL A 38 0.849 -3.779 3.300 1.00 0.48 O ATOM 614 CB VAL A 38 0.058 -1.170 2.634 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.952 -0.941 1.429 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.748 0.076 2.954 1.00 0.46 C ATOM 0 H VAL A 38 -1.752 -2.900 4.222 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.329 -2.291 1.408 1.00 0.42 H new ATOM 0 HB VAL A 38 0.688 -1.388 3.496 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.600 -0.085 1.614 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.562 -1.827 1.255 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.336 -0.746 0.551 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.071 0.914 3.122 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.409 0.306 2.119 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.343 -0.096 3.851 1.00 0.46 H new ATOM 626 N GLU A 39 -0.264 -4.561 1.509 1.00 0.30 N ATOM 627 CA GLU A 39 0.498 -5.801 1.464 1.00 0.33 C ATOM 628 C GLU A 39 1.876 -5.553 0.857 1.00 0.32 C ATOM 629 O GLU A 39 2.001 -4.982 -0.222 1.00 0.43 O ATOM 630 CB GLU A 39 -0.254 -6.878 0.681 1.00 0.42 C ATOM 631 CG GLU A 39 -1.705 -7.030 1.106 1.00 0.51 C ATOM 632 CD GLU A 39 -2.174 -8.471 1.082 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.908 -9.166 0.079 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.810 -8.906 2.067 1.00 1.52 O ATOM 0 H GLU A 39 -0.976 -4.470 0.784 1.00 0.30 H new ATOM 0 HA GLU A 39 0.628 -6.161 2.485 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.218 -6.637 -0.381 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.256 -7.833 0.809 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.829 -6.629 2.112 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.337 -6.436 0.446 1.00 0.51 H new ATOM 641 N LYS A 40 2.899 -5.972 1.586 1.00 0.28 N ATOM 642 CA LYS A 40 4.293 -5.799 1.180 1.00 0.31 C ATOM 643 C LYS A 40 4.846 -7.017 0.444 1.00 0.29 C ATOM 644 O LYS A 40 4.728 -8.141 0.927 1.00 0.35 O ATOM 645 CB LYS A 40 5.131 -5.595 2.434 1.00 0.43 C ATOM 646 CG LYS A 40 5.453 -4.174 2.782 1.00 0.92 C ATOM 647 CD LYS A 40 6.915 -3.880 2.507 1.00 1.14 C ATOM 648 CE LYS A 40 7.381 -2.623 3.210 1.00 1.65 C ATOM 649 NZ LYS A 40 7.480 -2.807 4.684 1.00 1.97 N ATOM 0 H LYS A 40 2.789 -6.445 2.483 1.00 0.28 H new ATOM 0 HA LYS A 40 4.337 -4.945 0.504 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.605 -6.045 3.276 1.00 0.43 H new ATOM 0 HB3 LYS A 40 6.067 -6.141 2.315 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.824 -3.499 2.201 1.00 0.92 H new ATOM 0 HG3 LYS A 40 5.230 -3.991 3.833 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.522 -4.724 2.833 1.00 1.14 H new ATOM 0 HD3 LYS A 40 7.068 -3.773 1.433 1.00 1.14 H new ATOM 0 HE2 LYS A 40 8.354 -2.328 2.816 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.689 -1.809 2.993 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.975 -1.994 5.103 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.525 -2.878 5.090 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.010 -3.678 4.890 1.00 1.97 H new ATOM 663 N ARG A 41 5.486 -6.789 -0.698 1.00 0.36 N ATOM 664 CA ARG A 41 6.089 -7.879 -1.457 1.00 0.40 C ATOM 665 C ARG A 41 7.607 -7.764 -1.407 1.00 0.41 C ATOM 666 O ARG A 41 8.197 -6.903 -2.064 1.00 0.43 O ATOM 667 CB ARG A 41 5.618 -7.887 -2.912 1.00 0.46 C ATOM 668 CG ARG A 41 6.105 -9.101 -3.688 1.00 0.58 C ATOM 669 CD ARG A 41 5.712 -9.031 -5.156 1.00 0.88 C ATOM 670 NE ARG A 41 4.797 -10.107 -5.531 1.00 0.95 N ATOM 671 CZ ARG A 41 4.150 -10.156 -6.692 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.313 -9.195 -7.589 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.340 -11.171 -6.959 1.00 1.44 N ATOM 0 H ARG A 41 5.600 -5.866 -1.116 1.00 0.36 H new ATOM 0 HA ARG A 41 5.773 -8.817 -1.000 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.529 -7.861 -2.936 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.969 -6.982 -3.407 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.189 -9.173 -3.606 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.690 -10.006 -3.244 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.242 -8.069 -5.360 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.608 -9.086 -5.774 1.00 0.88 H new ATOM 0 HE ARG A 41 4.646 -10.864 -4.864 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.937 -8.413 -7.391 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.815 -9.237 -8.478 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.212 -11.916 -6.274 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.844 -11.207 -7.850 1.00 1.44 H new ATOM 687 N ASP A 42 8.232 -8.632 -0.615 1.00 0.50 N ATOM 688 CA ASP A 42 9.682 -8.628 -0.467 1.00 0.57 C ATOM 689 C ASP A 42 10.360 -9.253 -1.677 1.00 0.62 C ATOM 690 O ASP A 42 10.535 -10.470 -1.746 1.00 0.91 O ATOM 691 CB ASP A 42 10.092 -9.377 0.801 1.00 0.71 C ATOM 692 CG ASP A 42 8.914 -10.062 1.469 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.128 -9.368 2.146 1.00 1.49 O ATOM 694 OD2 ASP A 42 8.779 -11.294 1.313 1.00 1.59 O ATOM 0 H ASP A 42 7.755 -9.347 -0.066 1.00 0.50 H new ATOM 0 HA ASP A 42 10.005 -7.590 -0.390 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.849 -10.121 0.553 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.549 -8.678 1.502 1.00 0.71 H new ATOM 699 N LEU A 43 10.746 -8.412 -2.625 1.00 0.63 N ATOM 700 CA LEU A 43 11.410 -8.876 -3.833 1.00 0.68 C ATOM 701 C LEU A 43 12.885 -9.159 -3.559 1.00 0.81 C ATOM 702 O LEU A 43 13.474 -8.575 -2.648 1.00 0.90 O ATOM 703 CB LEU A 43 11.271 -7.836 -4.945 1.00 0.62 C ATOM 704 CG LEU A 43 9.882 -7.208 -5.057 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.803 -6.281 -6.258 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.824 -8.291 -5.153 1.00 0.70 C ATOM 0 H LEU A 43 10.610 -7.402 -2.580 1.00 0.63 H new ATOM 0 HA LEU A 43 10.934 -9.802 -4.155 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.001 -7.044 -4.778 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.522 -8.305 -5.897 1.00 0.62 H new ATOM 0 HG LEU A 43 9.699 -6.617 -4.160 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.805 -5.846 -6.317 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.540 -5.485 -6.152 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.007 -6.846 -7.168 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.839 -7.831 -5.232 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.010 -8.904 -6.035 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.862 -8.917 -4.261 1.00 0.70 H new ATOM 718 N PRO A 44 13.506 -10.068 -4.333 1.00 0.92 N ATOM 719 CA PRO A 44 12.859 -10.793 -5.430 1.00 0.99 C ATOM 720 C PRO A 44 12.117 -12.050 -4.966 1.00 1.15 C ATOM 721 O PRO A 44 12.002 -13.017 -5.718 1.00 1.43 O ATOM 722 CB PRO A 44 14.038 -11.185 -6.338 1.00 1.15 C ATOM 723 CG PRO A 44 15.284 -10.725 -5.640 1.00 1.25 C ATOM 724 CD PRO A 44 14.907 -10.455 -4.210 1.00 1.08 C ATOM 0 HA PRO A 44 12.098 -10.182 -5.916 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.060 -12.262 -6.502 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.946 -10.716 -7.317 1.00 1.15 H new ATOM 0 HG2 PRO A 44 16.062 -11.486 -5.697 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.682 -9.826 -6.111 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.033 -11.337 -3.582 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.512 -9.662 -3.771 1.00 1.08 H new ATOM 732 N ASN A 45 11.616 -12.037 -3.733 1.00 1.14 N ATOM 733 CA ASN A 45 10.891 -13.184 -3.194 1.00 1.33 C ATOM 734 C ASN A 45 9.379 -12.963 -3.252 1.00 1.43 C ATOM 735 O ASN A 45 8.720 -13.387 -4.200 1.00 2.42 O ATOM 736 CB ASN A 45 11.331 -13.455 -1.755 1.00 1.66 C ATOM 737 CG ASN A 45 12.760 -13.956 -1.674 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.030 -15.136 -1.902 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.685 -13.060 -1.350 1.00 1.89 N ATOM 0 H ASN A 45 11.698 -11.249 -3.091 1.00 1.14 H new ATOM 0 HA ASN A 45 11.127 -14.052 -3.810 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.236 -12.540 -1.170 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.664 -14.191 -1.306 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.664 -13.339 -1.282 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.417 -12.093 -1.169 1.00 1.89 H new ATOM 746 N GLY A 46 8.835 -12.300 -2.233 1.00 0.90 N ATOM 747 CA GLY A 46 7.405 -12.039 -2.197 1.00 1.12 C ATOM 748 C GLY A 46 6.759 -12.481 -0.895 1.00 0.76 C ATOM 749 O GLY A 46 7.335 -13.269 -0.146 1.00 0.96 O ATOM 0 H GLY A 46 9.357 -11.940 -1.434 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.231 -10.972 -2.340 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.925 -12.554 -3.029 1.00 1.12 H new ATOM 753 N ARG A 47 5.556 -11.973 -0.628 1.00 0.80 N ATOM 754 CA ARG A 47 4.832 -12.324 0.592 1.00 0.76 C ATOM 755 C ARG A 47 3.553 -11.498 0.743 1.00 0.85 C ATOM 756 O ARG A 47 2.562 -11.975 1.293 1.00 1.71 O ATOM 757 CB ARG A 47 5.725 -12.121 1.818 1.00 0.99 C ATOM 758 CG ARG A 47 6.636 -10.909 1.712 1.00 1.31 C ATOM 759 CD ARG A 47 6.488 -9.987 2.914 1.00 1.11 C ATOM 760 NE ARG A 47 6.932 -10.621 4.152 1.00 1.41 N ATOM 761 CZ ARG A 47 6.819 -10.057 5.352 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.276 -8.853 5.475 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.248 -10.698 6.431 1.00 2.03 N ATOM 0 H ARG A 47 5.064 -11.320 -1.238 1.00 0.80 H new ATOM 0 HA ARG A 47 4.552 -13.375 0.517 1.00 0.76 H new ATOM 0 HB2 ARG A 47 5.096 -12.016 2.702 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.335 -13.012 1.965 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.672 -11.238 1.631 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.405 -10.358 0.800 1.00 1.31 H new ATOM 0 HD2 ARG A 47 7.065 -9.078 2.746 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.445 -9.688 3.015 1.00 1.11 H new ATOM 0 HE ARG A 47 7.352 -11.548 4.094 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.944 -8.357 4.648 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.191 -8.424 6.396 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.665 -11.624 6.342 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.161 -10.264 7.350 1.00 2.03 H new ATOM 777 N TRP A 48 3.582 -10.257 0.259 1.00 0.50 N ATOM 778 CA TRP A 48 2.423 -9.370 0.355 1.00 0.43 C ATOM 779 C TRP A 48 1.871 -9.361 1.783 1.00 0.45 C ATOM 780 O TRP A 48 0.845 -9.984 2.056 1.00 0.65 O ATOM 781 CB TRP A 48 1.330 -9.819 -0.623 1.00 0.47 C ATOM 782 CG TRP A 48 1.712 -9.662 -2.066 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.711 -10.636 -3.020 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.153 -8.463 -2.721 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.124 -10.117 -4.222 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.401 -8.792 -4.065 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.364 -7.145 -2.305 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.846 -7.860 -4.992 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.810 -6.218 -3.231 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.045 -6.584 -4.562 1.00 0.38 C ATOM 0 H TRP A 48 4.393 -9.844 -0.202 1.00 0.50 H new ATOM 0 HA TRP A 48 2.740 -8.360 0.096 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.090 -10.865 -0.431 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.424 -9.244 -0.431 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.427 -11.665 -2.854 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.210 -10.640 -5.094 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.182 -6.856 -1.280 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.028 -8.138 -6.020 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.979 -5.197 -2.922 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.391 -5.838 -5.262 1.00 0.38 H new ATOM 801 N LEU A 49 2.552 -8.662 2.700 1.00 0.38 N ATOM 802 CA LEU A 49 2.100 -8.610 4.091 1.00 0.42 C ATOM 803 C LEU A 49 1.755 -7.188 4.522 1.00 0.36 C ATOM 804 O LEU A 49 2.474 -6.241 4.208 1.00 0.39 O ATOM 805 CB LEU A 49 3.169 -9.189 5.018 1.00 0.52 C ATOM 806 CG LEU A 49 2.675 -10.287 5.962 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.564 -9.760 6.856 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.199 -11.494 5.169 1.00 0.84 C ATOM 0 H LEU A 49 3.403 -8.134 2.507 1.00 0.38 H new ATOM 0 HA LEU A 49 1.193 -9.211 4.162 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.979 -9.591 4.409 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.590 -8.379 5.614 1.00 0.52 H new ATOM 0 HG LEU A 49 3.505 -10.599 6.596 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.224 -10.554 7.521 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.939 -8.926 7.449 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.731 -9.422 6.240 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.851 -12.266 5.855 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.382 -11.198 4.511 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.023 -11.885 4.571 1.00 0.84 H new ATOM 820 N LYS A 50 0.649 -7.049 5.247 1.00 0.40 N ATOM 821 CA LYS A 50 0.206 -5.743 5.723 1.00 0.40 C ATOM 822 C LYS A 50 1.199 -5.156 6.723 1.00 0.47 C ATOM 823 O LYS A 50 1.044 -5.312 7.934 1.00 0.85 O ATOM 824 CB LYS A 50 -1.183 -5.845 6.358 1.00 0.59 C ATOM 825 CG LYS A 50 -1.302 -6.938 7.410 1.00 0.72 C ATOM 826 CD LYS A 50 -2.649 -6.886 8.113 1.00 1.03 C ATOM 827 CE LYS A 50 -2.946 -5.497 8.659 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.045 -5.518 9.663 1.00 1.30 N ATOM 0 H LYS A 50 0.044 -7.824 5.517 1.00 0.40 H new ATOM 0 HA LYS A 50 0.152 -5.075 4.863 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.435 -4.887 6.813 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.918 -6.028 5.574 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.172 -7.913 6.940 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.503 -6.828 8.143 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.435 -7.179 7.416 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.662 -7.608 8.929 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.045 -5.086 9.115 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.218 -4.834 7.837 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.216 -4.553 10.010 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.912 -5.886 9.221 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.776 -6.130 10.460 1.00 1.30 H new ATOM 842 N ALA A 51 2.219 -4.478 6.207 1.00 0.45 N ATOM 843 CA ALA A 51 3.236 -3.866 7.054 1.00 0.63 C ATOM 844 C ALA A 51 2.616 -2.865 8.024 1.00 0.55 C ATOM 845 O ALA A 51 3.036 -2.760 9.176 1.00 0.72 O ATOM 846 CB ALA A 51 4.297 -3.189 6.200 1.00 0.86 C ATOM 0 H ALA A 51 2.363 -4.339 5.207 1.00 0.45 H new ATOM 0 HA ALA A 51 3.706 -4.655 7.640 1.00 0.63 H new ATOM 0 HB1 ALA A 51 5.050 -2.737 6.846 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.770 -3.928 5.554 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.832 -2.416 5.587 1.00 0.86 H new ATOM 852 N ASN A 52 1.610 -2.132 7.552 1.00 0.42 N ATOM 853 CA ASN A 52 0.927 -1.140 8.379 1.00 0.43 C ATOM 854 C ASN A 52 0.575 -1.731 9.746 1.00 0.59 C ATOM 855 O ASN A 52 1.125 -1.321 10.768 1.00 1.60 O ATOM 856 CB ASN A 52 -0.331 -0.628 7.651 1.00 0.38 C ATOM 857 CG ASN A 52 -1.334 0.053 8.566 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.013 1.027 9.245 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.556 -0.466 8.588 1.00 0.62 N ATOM 0 H ASN A 52 1.250 -2.206 6.601 1.00 0.42 H new ATOM 0 HA ASN A 52 1.595 -0.295 8.546 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.029 0.073 6.873 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.818 -1.467 7.153 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.274 -0.056 9.185 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.777 -1.275 8.007 1.00 0.62 H new ATOM 866 N PHE A 53 -0.334 -2.699 9.755 1.00 0.81 N ATOM 867 CA PHE A 53 -0.746 -3.346 10.995 1.00 0.82 C ATOM 868 C PHE A 53 -1.100 -2.315 12.064 1.00 0.84 C ATOM 869 O PHE A 53 -0.853 -2.527 13.251 1.00 1.20 O ATOM 870 CB PHE A 53 0.372 -4.257 11.504 1.00 0.96 C ATOM 871 CG PHE A 53 0.102 -5.714 11.273 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.103 -6.274 11.660 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.050 -6.522 10.668 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.360 -7.615 11.449 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.801 -7.865 10.453 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.406 -8.411 10.845 1.00 1.96 C ATOM 0 H PHE A 53 -0.799 -3.053 8.919 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.635 -3.941 10.787 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.305 -3.985 11.011 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.513 -4.086 12.571 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.851 -5.655 12.133 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.995 -6.098 10.361 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.304 -8.040 11.755 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.548 -8.485 9.980 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.604 -9.460 10.679 1.00 1.96 H new ATOM 886 N SER A 54 -1.680 -1.200 11.636 1.00 0.79 N ATOM 887 CA SER A 54 -2.066 -0.140 12.561 1.00 0.89 C ATOM 888 C SER A 54 -3.418 0.455 12.178 1.00 0.95 C ATOM 889 O SER A 54 -4.440 0.142 12.789 1.00 1.89 O ATOM 890 CB SER A 54 -1.001 0.957 12.588 1.00 1.00 C ATOM 891 OG SER A 54 -1.554 2.198 12.995 1.00 1.71 O ATOM 0 H SER A 54 -1.893 -1.006 10.658 1.00 0.79 H new ATOM 0 HA SER A 54 -2.152 -0.577 13.556 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.199 0.672 13.269 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.557 1.061 11.598 1.00 1.00 H new ATOM 0 HG SER A 54 -0.852 2.881 13.005 1.00 1.71 H new ATOM 897 N ASN A 55 -3.415 1.314 11.164 1.00 0.75 N ATOM 898 CA ASN A 55 -4.641 1.953 10.700 1.00 0.69 C ATOM 899 C ASN A 55 -4.364 2.874 9.518 1.00 0.66 C ATOM 900 O ASN A 55 -3.335 3.548 9.473 1.00 1.05 O ATOM 901 CB ASN A 55 -5.288 2.747 11.837 1.00 0.84 C ATOM 902 CG ASN A 55 -6.779 2.491 11.948 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.251 1.928 12.935 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.528 2.904 10.932 1.00 0.83 N ATOM 0 H ASN A 55 -2.577 1.584 10.648 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.326 1.170 10.374 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -4.806 2.485 12.779 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.116 3.811 11.676 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.537 2.759 10.950 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.094 3.367 10.133 1.00 0.83 H new ATOM 911 N ILE A 56 -5.288 2.898 8.563 1.00 0.40 N ATOM 912 CA ILE A 56 -5.142 3.738 7.379 1.00 0.33 C ATOM 913 C ILE A 56 -6.494 4.275 6.919 1.00 0.31 C ATOM 914 O ILE A 56 -7.046 3.820 5.919 1.00 0.53 O ATOM 915 CB ILE A 56 -4.485 2.969 6.216 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.382 2.042 6.744 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.936 3.947 5.186 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.550 1.389 5.659 1.00 0.69 C ATOM 0 H ILE A 56 -6.145 2.346 8.585 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.497 4.570 7.661 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.238 2.350 5.729 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.723 2.614 7.397 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.838 1.263 7.355 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.474 3.393 4.369 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.749 4.559 4.796 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.191 4.590 5.655 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.794 0.750 6.115 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.195 0.787 5.019 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.062 2.159 5.061 1.00 0.69 H new ATOM 930 N LEU A 57 -7.025 5.245 7.659 1.00 0.44 N ATOM 931 CA LEU A 57 -8.315 5.841 7.328 1.00 0.45 C ATOM 932 C LEU A 57 -8.233 6.650 6.035 1.00 0.42 C ATOM 933 O LEU A 57 -9.172 6.659 5.239 1.00 0.60 O ATOM 934 CB LEU A 57 -8.798 6.736 8.473 1.00 0.48 C ATOM 935 CG LEU A 57 -10.094 6.284 9.149 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.640 7.393 10.037 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.127 5.870 8.110 1.00 0.72 C ATOM 0 H LEU A 57 -6.582 5.634 8.491 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.029 5.031 7.181 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.013 6.790 9.227 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.940 7.746 8.089 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.875 5.417 9.772 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.562 7.058 10.512 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.906 7.640 10.804 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.844 8.277 9.432 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.041 5.552 8.612 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.346 6.716 7.458 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.734 5.045 7.515 1.00 0.72 H new ATOM 949 N GLU A 58 -7.108 7.328 5.831 1.00 0.39 N ATOM 950 CA GLU A 58 -6.909 8.135 4.637 1.00 0.43 C ATOM 951 C GLU A 58 -6.047 7.392 3.626 1.00 0.51 C ATOM 952 O GLU A 58 -5.432 6.375 3.947 1.00 1.09 O ATOM 953 CB GLU A 58 -6.258 9.468 4.999 1.00 0.44 C ATOM 954 CG GLU A 58 -4.816 9.333 5.446 1.00 0.44 C ATOM 955 CD GLU A 58 -4.542 10.044 6.755 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.143 9.655 7.779 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.727 10.989 6.758 1.00 1.54 O ATOM 0 H GLU A 58 -6.321 7.333 6.479 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.884 8.328 4.189 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.302 10.132 4.135 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.834 9.941 5.794 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.570 8.276 5.552 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.161 9.736 4.674 1.00 0.44 H new ATOM 964 N ASN A 59 -6.011 7.902 2.405 1.00 0.31 N ATOM 965 CA ASN A 59 -5.227 7.282 1.342 1.00 0.28 C ATOM 966 C ASN A 59 -3.736 7.588 1.490 1.00 0.28 C ATOM 967 O ASN A 59 -2.907 7.000 0.795 1.00 0.49 O ATOM 968 CB ASN A 59 -5.714 7.744 -0.039 1.00 0.32 C ATOM 969 CG ASN A 59 -7.185 8.118 -0.059 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.013 7.465 0.577 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.516 9.174 -0.793 1.00 0.91 N ATOM 0 H ASN A 59 -6.514 8.743 2.123 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.367 6.205 1.428 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.123 8.603 -0.357 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.538 6.949 -0.764 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.490 9.473 -0.846 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.797 9.686 -1.304 1.00 0.91 H new ATOM 978 N GLU A 60 -3.397 8.504 2.395 1.00 0.29 N ATOM 979 CA GLU A 60 -2.006 8.876 2.620 1.00 0.29 C ATOM 980 C GLU A 60 -1.436 8.099 3.795 1.00 0.27 C ATOM 981 O GLU A 60 -1.710 8.415 4.953 1.00 0.35 O ATOM 982 CB GLU A 60 -1.885 10.379 2.879 1.00 0.34 C ATOM 983 CG GLU A 60 -0.550 10.965 2.449 1.00 0.49 C ATOM 984 CD GLU A 60 -0.168 12.194 3.250 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.026 12.703 4.003 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.989 12.649 3.125 1.00 1.91 O ATOM 0 H GLU A 60 -4.067 9.000 2.982 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.437 8.630 1.723 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.686 10.896 2.351 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.030 10.569 3.943 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.227 10.208 2.559 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.595 11.225 1.391 1.00 0.49 H new ATOM 993 N PHE A 61 -0.651 7.078 3.492 1.00 0.24 N ATOM 994 CA PHE A 61 -0.057 6.255 4.535 1.00 0.24 C ATOM 995 C PHE A 61 1.407 5.949 4.245 1.00 0.24 C ATOM 996 O PHE A 61 1.877 6.108 3.119 1.00 0.25 O ATOM 997 CB PHE A 61 -0.845 4.957 4.683 1.00 0.28 C ATOM 998 CG PHE A 61 -0.254 4.011 5.684 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.705 3.086 5.302 1.00 0.37 C ATOM 1000 CD2 PHE A 61 -0.656 4.049 7.007 1.00 0.41 C ATOM 1001 CE1 PHE A 61 1.250 2.216 6.223 1.00 0.44 C ATOM 1002 CE2 PHE A 61 -0.114 3.180 7.933 1.00 0.48 C ATOM 1003 CZ PHE A 61 0.840 2.263 7.541 1.00 0.48 C ATOM 0 H PHE A 61 -0.411 6.800 2.540 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.099 6.815 5.469 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.867 5.193 4.978 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.899 4.461 3.714 1.00 0.28 H new ATOM 0 HD1 PHE A 61 1.029 3.046 4.272 1.00 0.37 H new ATOM 0 HD2 PHE A 61 -1.401 4.766 7.319 1.00 0.41 H new ATOM 0 HE1 PHE A 61 1.996 1.499 5.914 1.00 0.44 H new ATOM 0 HE2 PHE A 61 -0.436 3.218 8.963 1.00 0.48 H new ATOM 0 HZ PHE A 61 1.265 1.583 8.264 1.00 0.48 H new ATOM 1013 N THR A 62 2.122 5.509 5.275 1.00 0.25 N ATOM 1014 CA THR A 62 3.530 5.180 5.142 1.00 0.27 C ATOM 1015 C THR A 62 3.815 3.767 5.631 1.00 0.29 C ATOM 1016 O THR A 62 3.589 3.442 6.796 1.00 0.35 O ATOM 1017 CB THR A 62 4.386 6.183 5.916 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.133 7.505 5.472 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.872 5.931 5.781 1.00 0.37 C ATOM 0 H THR A 62 1.745 5.373 6.213 1.00 0.25 H new ATOM 0 HA THR A 62 3.786 5.233 4.084 1.00 0.27 H new ATOM 0 HB THR A 62 4.106 6.056 6.962 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.777 7.744 4.773 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.421 6.678 6.354 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.108 4.937 6.160 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.158 5.997 4.731 1.00 0.37 H new ATOM 1027 N VAL A 63 4.317 2.933 4.730 1.00 0.31 N ATOM 1028 CA VAL A 63 4.640 1.555 5.062 1.00 0.36 C ATOM 1029 C VAL A 63 6.023 1.455 5.693 1.00 0.38 C ATOM 1030 O VAL A 63 7.039 1.515 5.001 1.00 0.50 O ATOM 1031 CB VAL A 63 4.588 0.654 3.820 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.645 -0.810 4.223 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.335 0.944 3.013 1.00 0.58 C ATOM 0 H VAL A 63 4.509 3.189 3.762 1.00 0.31 H new ATOM 0 HA VAL A 63 3.891 1.216 5.778 1.00 0.36 H new ATOM 0 HB VAL A 63 5.455 0.868 3.196 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.607 -1.435 3.331 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.572 -1.003 4.762 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.796 -1.044 4.866 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.310 0.299 2.135 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.455 0.755 3.627 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.339 1.987 2.696 1.00 0.58 H new ATOM 1043 N SER A 64 6.050 1.303 7.010 1.00 0.49 N ATOM 1044 CA SER A 64 7.308 1.196 7.741 1.00 0.55 C ATOM 1045 C SER A 64 7.600 -0.253 8.118 1.00 0.63 C ATOM 1046 O SER A 64 6.736 -1.122 8.005 1.00 0.99 O ATOM 1047 CB SER A 64 7.268 2.062 9.000 1.00 0.63 C ATOM 1048 OG SER A 64 8.535 2.103 9.634 1.00 1.33 O ATOM 0 H SER A 64 5.216 1.251 7.595 1.00 0.49 H new ATOM 0 HA SER A 64 8.106 1.551 7.089 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.956 3.073 8.739 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.524 1.668 9.693 1.00 0.63 H new ATOM 0 HG SER A 64 8.482 2.665 10.435 1.00 1.33 H new ATOM 1054 N GLY A 65 8.825 -0.504 8.567 1.00 0.71 N ATOM 1055 CA GLY A 65 9.213 -1.847 8.955 1.00 0.78 C ATOM 1056 C GLY A 65 9.934 -2.597 7.852 1.00 0.72 C ATOM 1057 O GLY A 65 10.132 -3.809 7.946 1.00 0.90 O ATOM 0 H GLY A 65 9.557 0.199 8.669 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.858 -1.794 9.832 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.324 -2.406 9.246 1.00 0.78 H new ATOM 1061 N LEU A 66 10.333 -1.882 6.802 1.00 0.64 N ATOM 1062 CA LEU A 66 11.036 -2.500 5.685 1.00 0.65 C ATOM 1063 C LEU A 66 12.536 -2.555 5.952 1.00 0.59 C ATOM 1064 O LEU A 66 12.993 -2.217 7.045 1.00 0.65 O ATOM 1065 CB LEU A 66 10.755 -1.736 4.388 1.00 0.74 C ATOM 1066 CG LEU A 66 10.946 -0.221 4.463 1.00 0.89 C ATOM 1067 CD1 LEU A 66 11.996 0.233 3.463 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.627 0.490 4.205 1.00 0.89 C ATOM 0 H LEU A 66 10.181 -0.878 6.703 1.00 0.64 H new ATOM 0 HA LEU A 66 10.670 -3.521 5.576 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.406 -2.129 3.607 1.00 0.74 H new ATOM 0 HB3 LEU A 66 9.729 -1.941 4.081 1.00 0.74 H new ATOM 0 HG LEU A 66 11.290 0.036 5.465 1.00 0.89 H new ATOM 0 HD11 LEU A 66 12.119 1.314 3.530 1.00 1.47 H new ATOM 0 HD12 LEU A 66 12.945 -0.255 3.685 1.00 1.47 H new ATOM 0 HD13 LEU A 66 11.678 -0.034 2.455 1.00 1.47 H new ATOM 0 HD21 LEU A 66 9.778 1.568 4.261 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.259 0.226 3.213 1.00 0.89 H new ATOM 0 HD23 LEU A 66 8.897 0.186 4.955 1.00 0.89 H new ATOM 1080 N THR A 67 13.297 -2.987 4.954 1.00 0.65 N ATOM 1081 CA THR A 67 14.744 -3.089 5.091 1.00 0.69 C ATOM 1082 C THR A 67 15.455 -2.379 3.945 1.00 0.72 C ATOM 1083 O THR A 67 14.902 -2.223 2.856 1.00 1.06 O ATOM 1084 CB THR A 67 15.167 -4.556 5.138 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.223 -5.326 5.860 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.521 -4.769 5.780 1.00 0.99 C ATOM 0 H THR A 67 12.937 -3.272 4.043 1.00 0.65 H new ATOM 0 HA THR A 67 15.030 -2.603 6.024 1.00 0.69 H new ATOM 0 HB THR A 67 15.223 -4.874 4.097 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.584 -5.729 5.236 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.760 -5.832 5.781 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.280 -4.227 5.216 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.499 -4.401 6.806 1.00 0.99 H new ATOM 1094 N GLU A 68 16.686 -1.951 4.202 1.00 0.66 N ATOM 1095 CA GLU A 68 17.481 -1.258 3.200 1.00 0.67 C ATOM 1096 C GLU A 68 18.059 -2.241 2.188 1.00 0.60 C ATOM 1097 O GLU A 68 18.187 -3.433 2.468 1.00 0.69 O ATOM 1098 CB GLU A 68 18.610 -0.481 3.876 1.00 0.76 C ATOM 1099 CG GLU A 68 19.261 0.552 2.975 1.00 0.96 C ATOM 1100 CD GLU A 68 20.601 0.089 2.435 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.508 -0.180 3.248 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.740 -0.007 1.197 1.00 1.91 O ATOM 0 H GLU A 68 17.155 -2.073 5.100 1.00 0.66 H new ATOM 0 HA GLU A 68 16.832 -0.562 2.669 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.217 0.018 4.762 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.370 -1.184 4.217 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.594 0.775 2.142 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.398 1.480 3.531 1.00 0.96 H new ATOM 1109 N ASP A 69 18.408 -1.734 1.011 1.00 0.52 N ATOM 1110 CA ASP A 69 18.975 -2.565 -0.045 1.00 0.49 C ATOM 1111 C ASP A 69 18.041 -3.721 -0.390 1.00 0.44 C ATOM 1112 O ASP A 69 18.409 -4.888 -0.265 1.00 0.54 O ATOM 1113 CB ASP A 69 20.341 -3.109 0.379 1.00 0.59 C ATOM 1114 CG ASP A 69 21.009 -3.914 -0.718 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.383 -3.316 -1.749 1.00 1.87 O ATOM 1116 OD2 ASP A 69 21.158 -5.141 -0.546 1.00 1.66 O ATOM 0 H ASP A 69 18.308 -0.750 0.764 1.00 0.52 H new ATOM 0 HA ASP A 69 19.099 -1.943 -0.932 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.988 -2.278 0.662 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.221 -3.735 1.263 1.00 0.59 H new ATOM 1121 N ALA A 70 16.830 -3.386 -0.823 1.00 0.40 N ATOM 1122 CA ALA A 70 15.843 -4.395 -1.187 1.00 0.40 C ATOM 1123 C ALA A 70 14.595 -3.754 -1.780 1.00 0.35 C ATOM 1124 O ALA A 70 13.963 -2.908 -1.148 1.00 0.36 O ATOM 1125 CB ALA A 70 15.477 -5.235 0.025 1.00 0.49 C ATOM 0 H ALA A 70 16.509 -2.424 -0.930 1.00 0.40 H new ATOM 0 HA ALA A 70 16.285 -5.041 -1.946 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.739 -5.984 -0.261 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.369 -5.731 0.407 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.060 -4.593 0.800 1.00 0.49 H new ATOM 1131 N ALA A 71 14.243 -4.164 -2.993 1.00 0.33 N ATOM 1132 CA ALA A 71 13.065 -3.629 -3.663 1.00 0.30 C ATOM 1133 C ALA A 71 11.799 -4.144 -3.002 1.00 0.27 C ATOM 1134 O ALA A 71 11.646 -5.343 -2.772 1.00 0.36 O ATOM 1135 CB ALA A 71 13.086 -3.981 -5.142 1.00 0.34 C ATOM 0 H ALA A 71 14.755 -4.863 -3.531 1.00 0.33 H new ATOM 0 HA ALA A 71 13.078 -2.543 -3.573 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.198 -3.573 -5.626 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.978 -3.558 -5.604 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.097 -5.065 -5.258 1.00 0.34 H new ATOM 1141 N TYR A 72 10.899 -3.224 -2.681 1.00 0.24 N ATOM 1142 CA TYR A 72 9.653 -3.582 -2.027 1.00 0.24 C ATOM 1143 C TYR A 72 8.438 -3.039 -2.772 1.00 0.21 C ATOM 1144 O TYR A 72 8.365 -1.850 -3.079 1.00 0.23 O ATOM 1145 CB TYR A 72 9.650 -3.036 -0.603 1.00 0.30 C ATOM 1146 CG TYR A 72 10.471 -3.844 0.371 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.933 -4.965 0.985 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.781 -3.486 0.684 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.670 -5.712 1.883 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.524 -4.230 1.582 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.963 -5.340 2.178 1.00 0.46 C ATOM 1152 OH TYR A 72 12.700 -6.083 3.072 1.00 0.56 O ATOM 0 H TYR A 72 11.011 -2.227 -2.864 1.00 0.24 H new ATOM 0 HA TYR A 72 9.586 -4.670 -2.021 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.027 -2.013 -0.617 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.621 -2.992 -0.245 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.919 -5.259 0.757 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.222 -2.616 0.219 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.235 -6.583 2.351 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.539 -3.943 1.816 1.00 0.42 H new ATOM 0 HH TYR A 72 13.650 -6.028 2.838 1.00 0.56 H new ATOM 1162 N GLU A 73 7.476 -3.916 -3.036 1.00 0.21 N ATOM 1163 CA GLU A 73 6.249 -3.522 -3.722 1.00 0.21 C ATOM 1164 C GLU A 73 5.092 -3.520 -2.729 1.00 0.23 C ATOM 1165 O GLU A 73 5.063 -4.343 -1.814 1.00 0.32 O ATOM 1166 CB GLU A 73 5.953 -4.472 -4.882 1.00 0.25 C ATOM 1167 CG GLU A 73 6.206 -3.860 -6.250 1.00 0.65 C ATOM 1168 CD GLU A 73 6.651 -4.884 -7.273 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.459 -6.094 -7.027 1.00 1.32 O ATOM 1170 OE2 GLU A 73 7.192 -4.478 -8.324 1.00 1.50 O ATOM 0 H GLU A 73 7.521 -4.904 -2.786 1.00 0.21 H new ATOM 0 HA GLU A 73 6.375 -2.519 -4.130 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.567 -5.366 -4.774 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.912 -4.791 -4.823 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.296 -3.374 -6.600 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.968 -3.085 -6.162 1.00 0.65 H new ATOM 1177 N PHE A 74 4.148 -2.594 -2.885 1.00 0.22 N ATOM 1178 CA PHE A 74 3.015 -2.540 -1.929 1.00 0.28 C ATOM 1179 C PHE A 74 1.652 -2.279 -2.573 1.00 0.25 C ATOM 1180 O PHE A 74 1.430 -1.234 -3.176 1.00 0.30 O ATOM 1181 CB PHE A 74 3.248 -1.467 -0.857 1.00 0.39 C ATOM 1182 CG PHE A 74 4.680 -1.072 -0.669 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.543 -1.829 0.118 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.160 0.070 -1.282 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.861 -1.436 0.275 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.469 0.460 -1.124 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.322 -0.292 -0.348 1.00 0.53 C ATOM 0 H PHE A 74 4.130 -1.894 -3.626 1.00 0.22 H new ATOM 0 HA PHE A 74 2.985 -3.537 -1.490 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.672 -0.580 -1.119 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.858 -1.831 0.093 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.184 -2.723 0.606 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.498 0.664 -1.894 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.530 -2.024 0.885 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.828 1.356 -1.609 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.351 0.012 -0.226 1.00 0.53 H new ATOM 1197 N ARG A 75 0.727 -3.222 -2.407 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.628 -3.073 -2.947 1.00 0.34 C ATOM 1199 C ARG A 75 -1.583 -2.627 -1.859 1.00 0.31 C ATOM 1200 O ARG A 75 -1.431 -3.003 -0.695 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.137 -4.384 -3.562 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.498 -5.631 -2.973 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.339 -6.874 -3.210 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.702 -7.797 -4.153 1.00 0.87 N ATOM 1205 CZ ARG A 75 -0.917 -7.797 -5.468 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.748 -6.922 -6.019 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.294 -8.678 -6.238 1.00 1.87 N ATOM 0 H ARG A 75 0.887 -4.095 -1.905 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.585 -2.317 -3.731 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.217 -4.442 -3.426 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.952 -4.366 -4.636 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.489 -5.773 -3.412 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.353 -5.491 -1.902 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.507 -7.384 -2.261 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.317 -6.582 -3.593 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.050 -8.486 -3.778 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.231 -6.239 -5.435 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -1.904 -6.932 -7.027 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.348 -9.354 -5.824 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.457 -8.680 -7.245 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.574 -1.829 -2.234 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.545 -1.350 -1.267 1.00 0.39 C ATOM 1223 C VAL A 76 -4.771 -2.254 -1.233 1.00 0.31 C ATOM 1224 O VAL A 76 -5.469 -2.420 -2.235 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.988 0.102 -1.545 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.967 0.568 -0.479 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.786 1.029 -1.613 1.00 0.54 C ATOM 0 H VAL A 76 -2.724 -1.504 -3.189 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.047 -1.371 -0.297 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.490 0.130 -2.512 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.271 1.594 -0.688 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.845 -0.079 -0.483 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.488 0.523 0.499 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.122 2.047 -1.810 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.251 1.001 -0.664 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.122 0.705 -2.414 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.020 -2.830 -0.064 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.148 -3.707 0.150 1.00 0.31 C ATOM 1239 C ILE A 77 -7.031 -3.094 1.224 1.00 0.30 C ATOM 1240 O ILE A 77 -6.526 -2.481 2.151 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.676 -5.108 0.595 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -4.919 -5.798 -0.560 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -6.854 -5.931 1.099 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.191 -7.286 -0.722 1.00 0.42 C ATOM 0 H ILE A 77 -4.438 -2.697 0.763 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.704 -3.820 -0.781 1.00 0.31 H new ATOM 0 HB ILE A 77 -4.980 -5.014 1.429 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.177 -5.295 -1.492 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -3.849 -5.656 -0.407 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.504 -6.916 1.409 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.314 -5.426 1.948 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.589 -6.041 0.301 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.611 -7.673 -1.560 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.905 -7.810 0.190 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.253 -7.443 -0.912 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.338 -3.244 1.110 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.223 -2.666 2.111 1.00 0.30 C ATOM 1258 C ALA A 78 -10.678 -2.974 1.826 1.00 0.34 C ATOM 1259 O ALA A 78 -11.104 -2.974 0.673 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.020 -1.164 2.170 1.00 0.39 C ATOM 0 H ALA A 78 -8.804 -3.748 0.355 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.971 -3.114 3.072 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.685 -0.736 2.921 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.985 -0.947 2.435 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.244 -0.728 1.196 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.452 -3.218 2.875 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.860 -3.500 2.690 1.00 0.43 C ATOM 1268 C LYS A 79 -13.607 -2.211 2.421 1.00 0.59 C ATOM 1269 O LYS A 79 -13.013 -1.137 2.361 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.481 -4.204 3.898 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.987 -5.619 4.125 1.00 1.07 C ATOM 1272 CD LYS A 79 -14.126 -6.529 4.559 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.624 -7.690 5.400 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.415 -7.300 6.822 1.00 1.98 N ATOM 0 H LYS A 79 -11.132 -3.226 3.844 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.944 -4.175 1.838 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.276 -3.614 4.791 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.563 -4.227 3.772 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.538 -6.003 3.209 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.207 -5.618 4.886 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.855 -5.954 5.130 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.642 -6.913 3.679 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.341 -8.510 5.351 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.687 -8.060 4.984 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.072 -8.121 7.360 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.712 -6.535 6.872 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.314 -6.971 7.228 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.909 -2.323 2.261 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.732 -1.167 1.997 1.00 0.70 C ATOM 1290 C ASN A 80 -16.657 -0.893 3.182 1.00 0.87 C ATOM 1291 O ASN A 80 -16.310 -0.127 4.079 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.490 -1.382 0.701 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.546 -1.631 -0.459 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.746 -2.564 -0.435 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.630 -0.786 -1.482 1.00 2.05 N ATOM 0 H ASN A 80 -15.419 -3.205 2.310 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.110 -0.280 1.876 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.166 -2.230 0.810 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.106 -0.508 0.489 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.016 -0.899 -2.288 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.309 -0.025 -1.460 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.820 -1.524 3.208 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.743 -1.325 4.320 1.00 0.82 C ATOM 1304 C ALA A 81 -19.690 -2.506 4.511 1.00 0.88 C ATOM 1305 O ALA A 81 -19.950 -2.923 5.640 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.544 -0.048 4.140 1.00 0.83 C ATOM 0 H ALA A 81 -18.146 -2.168 2.487 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.130 -1.243 5.218 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.224 0.077 4.982 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.865 0.804 4.093 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.118 -0.106 3.215 1.00 0.83 H new ATOM 1312 N ALA A 82 -20.220 -3.029 3.413 1.00 0.81 N ATOM 1313 CA ALA A 82 -21.158 -4.146 3.483 1.00 0.90 C ATOM 1314 C ALA A 82 -20.495 -5.490 3.191 1.00 0.88 C ATOM 1315 O ALA A 82 -21.030 -6.299 2.434 1.00 1.06 O ATOM 1316 CB ALA A 82 -22.314 -3.910 2.524 1.00 0.94 C ATOM 0 H ALA A 82 -20.019 -2.702 2.468 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.530 -4.193 4.506 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -23.010 -4.747 2.581 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.830 -2.989 2.796 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.931 -3.825 1.507 1.00 0.94 H new ATOM 1322 N GLY A 83 -19.338 -5.734 3.800 1.00 0.82 N ATOM 1323 CA GLY A 83 -18.652 -6.994 3.584 1.00 0.86 C ATOM 1324 C GLY A 83 -17.927 -7.062 2.252 1.00 0.78 C ATOM 1325 O GLY A 83 -17.265 -8.055 1.957 1.00 0.93 O ATOM 0 H GLY A 83 -18.867 -5.088 4.433 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.934 -7.152 4.389 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -19.375 -7.808 3.638 1.00 0.86 H new ATOM 1329 N ALA A 84 -18.040 -6.007 1.450 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.372 -5.970 0.159 1.00 0.78 C ATOM 1331 C ALA A 84 -15.900 -5.675 0.372 1.00 0.76 C ATOM 1332 O ALA A 84 -15.529 -4.548 0.697 1.00 1.38 O ATOM 1333 CB ALA A 84 -18.009 -4.925 -0.745 1.00 0.92 C ATOM 0 H ALA A 84 -18.584 -5.173 1.672 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.477 -6.938 -0.332 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.495 -4.913 -1.706 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.060 -5.169 -0.899 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.929 -3.943 -0.279 1.00 0.92 H new ATOM 1339 N ILE A 85 -15.062 -6.689 0.222 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.639 -6.505 0.439 1.00 0.40 C ATOM 1341 C ILE A 85 -12.859 -6.270 -0.835 1.00 0.38 C ATOM 1342 O ILE A 85 -12.679 -7.182 -1.638 1.00 0.48 O ATOM 1343 CB ILE A 85 -13.004 -7.701 1.176 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.535 -7.397 1.512 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.113 -8.963 0.333 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -11.082 -7.997 2.824 1.00 0.79 C ATOM 0 H ILE A 85 -15.339 -7.634 -0.045 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.576 -5.608 1.056 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.545 -7.866 2.108 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.901 -7.775 0.710 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -11.394 -6.317 1.547 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.660 -9.798 0.868 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.163 -9.182 0.140 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.594 -8.814 -0.614 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -10.036 -7.743 2.998 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.692 -7.600 3.635 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -11.191 -9.081 2.785 1.00 0.79 H new ATOM 1358 N SER A 86 -12.355 -5.052 -0.994 1.00 0.39 N ATOM 1359 CA SER A 86 -11.542 -4.734 -2.155 1.00 0.45 C ATOM 1360 C SER A 86 -10.261 -5.549 -2.020 1.00 0.44 C ATOM 1361 O SER A 86 -9.464 -5.307 -1.106 1.00 0.43 O ATOM 1362 CB SER A 86 -11.251 -3.227 -2.232 1.00 0.54 C ATOM 1363 OG SER A 86 -9.858 -2.951 -2.210 1.00 0.59 O ATOM 0 H SER A 86 -12.494 -4.280 -0.342 1.00 0.39 H new ATOM 0 HA SER A 86 -12.061 -4.985 -3.080 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.687 -2.820 -3.145 1.00 0.54 H new ATOM 0 HB3 SER A 86 -11.734 -2.722 -1.396 1.00 0.54 H new ATOM 0 HG SER A 86 -9.406 -3.594 -1.625 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.051 -6.551 -2.890 1.00 0.52 N ATOM 1370 CA PRO A 87 -8.876 -7.410 -2.804 1.00 0.61 C ATOM 1371 C PRO A 87 -7.544 -6.678 -3.091 1.00 0.54 C ATOM 1372 O PRO A 87 -7.053 -6.040 -2.167 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.228 -8.571 -3.729 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.138 -7.965 -4.746 1.00 0.74 C ATOM 1375 CD PRO A 87 -10.946 -6.940 -3.995 1.00 0.59 C ATOM 0 HA PRO A 87 -8.668 -7.767 -1.795 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.337 -8.995 -4.193 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.719 -9.378 -3.186 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -9.572 -7.504 -5.555 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -10.782 -8.720 -5.197 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -11.202 -6.088 -4.625 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -11.883 -7.357 -3.627 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.875 -6.708 -4.291 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.612 -6.008 -4.450 1.00 0.56 C ATOM 1385 C PRO A 88 -5.703 -4.739 -5.291 1.00 0.48 C ATOM 1386 O PRO A 88 -6.296 -4.739 -6.370 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.791 -7.052 -5.200 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.794 -7.848 -5.991 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.170 -7.380 -5.572 1.00 0.72 C ATOM 0 HA PRO A 88 -5.212 -5.666 -3.495 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.058 -6.581 -5.855 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.239 -7.689 -4.509 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.646 -7.698 -7.060 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.676 -8.914 -5.799 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.611 -6.699 -6.300 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.866 -8.210 -5.449 1.00 0.72 H new ATOM 1397 N SER A 89 -5.085 -3.665 -4.805 1.00 0.43 N ATOM 1398 CA SER A 89 -5.077 -2.405 -5.534 1.00 0.42 C ATOM 1399 C SER A 89 -3.678 -2.122 -6.083 1.00 0.35 C ATOM 1400 O SER A 89 -2.864 -1.466 -5.428 1.00 0.51 O ATOM 1401 CB SER A 89 -5.517 -1.253 -4.649 1.00 0.56 C ATOM 1402 OG SER A 89 -6.792 -1.497 -4.080 1.00 1.28 O ATOM 0 H SER A 89 -4.587 -3.644 -3.915 1.00 0.43 H new ATOM 0 HA SER A 89 -5.783 -2.494 -6.360 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.785 -1.102 -3.855 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.548 -0.334 -5.234 1.00 0.56 H new ATOM 0 HG SER A 89 -6.698 -2.102 -3.315 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.437 -2.633 -7.290 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.161 -2.488 -8.022 1.00 0.37 C ATOM 1410 C GLU A 90 -0.972 -2.101 -7.132 1.00 0.34 C ATOM 1411 O GLU A 90 -0.807 -0.932 -6.785 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.319 -1.451 -9.134 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.667 -2.052 -10.487 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.727 -1.600 -11.586 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.981 -0.622 -11.365 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.736 -2.222 -12.670 1.00 1.77 O ATOM 0 H GLU A 90 -4.133 -3.173 -7.805 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.934 -3.472 -8.433 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.098 -0.743 -8.850 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.392 -0.885 -9.225 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.639 -3.139 -10.415 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.688 -1.776 -10.751 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.120 -3.077 -6.759 1.00 0.30 N ATOM 1424 CA PRO A 91 1.054 -2.819 -5.916 1.00 0.29 C ATOM 1425 C PRO A 91 1.932 -1.678 -6.423 1.00 0.31 C ATOM 1426 O PRO A 91 2.088 -1.478 -7.627 1.00 0.55 O ATOM 1427 CB PRO A 91 1.834 -4.133 -5.968 1.00 0.36 C ATOM 1428 CG PRO A 91 0.818 -5.179 -6.272 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.233 -4.505 -7.123 1.00 0.39 C ATOM 0 HA PRO A 91 0.750 -2.513 -4.915 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.608 -4.101 -6.735 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.333 -4.333 -5.020 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.269 -6.019 -6.801 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.382 -5.577 -5.356 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.049 -4.663 -8.186 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.229 -4.894 -6.911 1.00 0.39 H new ATOM 1437 N SER A 92 2.515 -0.948 -5.477 1.00 0.27 N ATOM 1438 CA SER A 92 3.400 0.161 -5.776 1.00 0.31 C ATOM 1439 C SER A 92 4.719 -0.375 -6.275 1.00 0.27 C ATOM 1440 O SER A 92 5.207 -1.384 -5.750 1.00 0.24 O ATOM 1441 CB SER A 92 3.666 0.996 -4.521 1.00 0.39 C ATOM 1442 OG SER A 92 2.500 1.637 -4.058 1.00 1.23 O ATOM 0 H SER A 92 2.383 -1.114 -4.479 1.00 0.27 H new ATOM 0 HA SER A 92 2.924 0.786 -6.532 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.063 0.353 -3.735 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.429 1.743 -4.738 1.00 0.39 H new ATOM 0 HG SER A 92 2.432 2.526 -4.465 1.00 1.23 H new ATOM 1448 N ASP A 93 5.296 0.303 -7.270 1.00 0.33 N ATOM 1449 CA ASP A 93 6.579 -0.095 -7.843 1.00 0.36 C ATOM 1450 C ASP A 93 7.533 -0.565 -6.759 1.00 0.32 C ATOM 1451 O ASP A 93 7.519 -0.049 -5.644 1.00 0.56 O ATOM 1452 CB ASP A 93 7.204 1.073 -8.606 1.00 0.45 C ATOM 1453 CG ASP A 93 7.288 0.813 -10.096 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.274 1.023 -10.793 1.00 1.63 O ATOM 1455 OD2 ASP A 93 8.370 0.398 -10.566 1.00 1.55 O ATOM 0 H ASP A 93 4.889 1.136 -7.696 1.00 0.33 H new ATOM 0 HA ASP A 93 6.399 -0.920 -8.532 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.616 1.974 -8.430 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.204 1.264 -8.217 1.00 0.45 H new ATOM 1460 N ALA A 94 8.350 -1.548 -7.080 1.00 0.33 N ATOM 1461 CA ALA A 94 9.289 -2.072 -6.109 1.00 0.28 C ATOM 1462 C ALA A 94 10.402 -1.064 -5.845 1.00 0.29 C ATOM 1463 O ALA A 94 11.233 -0.803 -6.714 1.00 0.41 O ATOM 1464 CB ALA A 94 9.873 -3.385 -6.590 1.00 0.34 C ATOM 0 H ALA A 94 8.383 -1.996 -7.996 1.00 0.33 H new ATOM 0 HA ALA A 94 8.754 -2.251 -5.176 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.576 -3.764 -5.848 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.071 -4.109 -6.733 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.393 -3.228 -7.535 1.00 0.34 H new ATOM 1470 N ILE A 95 10.408 -0.495 -4.647 1.00 0.25 N ATOM 1471 CA ILE A 95 11.417 0.489 -4.281 1.00 0.28 C ATOM 1472 C ILE A 95 12.613 -0.170 -3.594 1.00 0.26 C ATOM 1473 O ILE A 95 12.512 -0.645 -2.463 1.00 0.25 O ATOM 1474 CB ILE A 95 10.815 1.577 -3.375 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.680 2.287 -4.112 1.00 0.41 C ATOM 1476 CG2 ILE A 95 11.881 2.573 -2.946 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.314 1.715 -3.812 1.00 0.44 C ATOM 0 H ILE A 95 9.728 -0.697 -3.914 1.00 0.25 H new ATOM 0 HA ILE A 95 11.770 0.956 -5.201 1.00 0.28 H new ATOM 0 HB ILE A 95 10.417 1.107 -2.476 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.689 3.344 -3.845 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.862 2.228 -5.185 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.432 3.333 -2.306 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.665 2.052 -2.396 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.311 3.048 -3.828 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.558 2.268 -4.369 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.286 0.666 -4.106 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.111 1.798 -2.744 1.00 0.44 H new ATOM 1489 N THR A 96 13.742 -0.193 -4.299 1.00 0.29 N ATOM 1490 CA THR A 96 14.971 -0.793 -3.786 1.00 0.32 C ATOM 1491 C THR A 96 15.244 -0.375 -2.346 1.00 0.32 C ATOM 1492 O THR A 96 15.798 -1.146 -1.562 1.00 0.38 O ATOM 1493 CB THR A 96 16.156 -0.401 -4.669 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.894 -0.715 -6.025 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.444 -1.090 -4.279 1.00 0.43 C ATOM 0 H THR A 96 13.831 0.201 -5.236 1.00 0.29 H new ATOM 0 HA THR A 96 14.841 -1.875 -3.804 1.00 0.32 H new ATOM 0 HB THR A 96 16.280 0.673 -4.529 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.662 -0.456 -6.575 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.245 -0.768 -4.945 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.699 -0.830 -3.252 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.318 -2.170 -4.359 1.00 0.43 H new ATOM 1503 N CYS A 97 14.855 0.846 -2.000 1.00 0.32 N ATOM 1504 CA CYS A 97 15.068 1.350 -0.649 1.00 0.36 C ATOM 1505 C CYS A 97 16.532 1.191 -0.247 1.00 0.43 C ATOM 1506 O CYS A 97 16.850 0.514 0.730 1.00 0.64 O ATOM 1507 CB CYS A 97 14.162 0.601 0.328 1.00 0.38 C ATOM 1508 SG CYS A 97 12.406 0.986 0.139 1.00 1.10 S ATOM 0 H CYS A 97 14.394 1.501 -2.631 1.00 0.32 H new ATOM 0 HA CYS A 97 14.819 2.411 -0.622 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.306 -0.471 0.193 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.468 0.838 1.347 1.00 0.38 H new ATOM 0 HG CYS A 97 11.953 0.426 -0.943 1.00 1.10 H new ATOM 1514 N ARG A 98 17.418 1.815 -1.019 1.00 0.53 N ATOM 1515 CA ARG A 98 18.856 1.738 -0.760 1.00 0.63 C ATOM 1516 C ARG A 98 19.344 2.856 0.157 1.00 0.80 C ATOM 1517 O ARG A 98 19.631 2.627 1.332 1.00 1.04 O ATOM 1518 CB ARG A 98 19.660 1.750 -2.071 1.00 0.68 C ATOM 1519 CG ARG A 98 19.054 2.590 -3.192 1.00 0.74 C ATOM 1520 CD ARG A 98 20.117 3.376 -3.950 1.00 0.92 C ATOM 1521 NE ARG A 98 21.403 2.684 -3.989 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.555 3.288 -4.267 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.577 4.589 -4.527 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.684 2.595 -4.284 1.00 2.68 N ATOM 0 H ARG A 98 17.167 2.380 -1.830 1.00 0.53 H new ATOM 0 HA ARG A 98 19.024 0.790 -0.248 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.663 2.121 -1.861 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.767 0.724 -2.423 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.520 1.940 -3.885 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.321 3.280 -2.773 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.774 3.556 -4.969 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.247 4.351 -3.481 1.00 0.92 H new ATOM 0 HE ARG A 98 21.418 1.683 -3.792 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.710 5.126 -4.514 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.461 5.052 -4.740 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.672 1.595 -4.084 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.566 3.061 -4.498 1.00 2.68 H new ATOM 1538 N ASP A 99 19.457 4.054 -0.394 1.00 0.92 N ATOM 1539 CA ASP A 99 19.932 5.213 0.356 1.00 1.20 C ATOM 1540 C ASP A 99 18.886 6.324 0.403 1.00 1.03 C ATOM 1541 O ASP A 99 19.230 7.505 0.453 1.00 1.20 O ATOM 1542 CB ASP A 99 21.208 5.752 -0.292 1.00 1.61 C ATOM 1543 CG ASP A 99 20.944 6.447 -1.613 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.887 5.750 -2.648 1.00 2.14 O ATOM 1545 OD2 ASP A 99 20.799 7.688 -1.612 1.00 2.08 O ATOM 0 H ASP A 99 19.225 4.253 -1.367 1.00 0.92 H new ATOM 0 HA ASP A 99 20.131 4.890 1.378 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.691 6.451 0.391 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.905 4.929 -0.452 1.00 1.61 H new ATOM 1550 N ASP A 100 17.612 5.948 0.376 1.00 0.85 N ATOM 1551 CA ASP A 100 16.519 6.922 0.404 1.00 0.92 C ATOM 1552 C ASP A 100 16.778 8.092 -0.538 1.00 1.22 C ATOM 1553 O ASP A 100 16.267 9.194 -0.338 1.00 1.38 O ATOM 1554 CB ASP A 100 16.304 7.444 1.823 1.00 0.87 C ATOM 1555 CG ASP A 100 15.112 8.376 1.925 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.307 8.417 0.972 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.985 9.067 2.957 1.00 2.06 O ATOM 0 H ASP A 100 17.307 4.975 0.335 1.00 0.85 H new ATOM 0 HA ASP A 100 15.620 6.407 0.065 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.161 6.601 2.499 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.201 7.969 2.153 1.00 0.87 H new ATOM 1562 N VAL A 101 17.568 7.843 -1.567 1.00 1.43 N ATOM 1563 CA VAL A 101 17.893 8.867 -2.546 1.00 1.90 C ATOM 1564 C VAL A 101 18.433 8.232 -3.819 1.00 2.23 C ATOM 1565 O VAL A 101 19.211 8.844 -4.550 1.00 2.80 O ATOM 1566 CB VAL A 101 18.922 9.871 -1.993 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.269 9.200 -1.774 1.00 2.22 C ATOM 1568 CG2 VAL A 101 19.056 11.064 -2.926 1.00 2.67 C ATOM 0 H VAL A 101 17.999 6.936 -1.748 1.00 1.43 H new ATOM 0 HA VAL A 101 16.974 9.408 -2.771 1.00 1.90 H new ATOM 0 HB VAL A 101 18.566 10.230 -1.028 1.00 2.20 H new ATOM 0 HG11 VAL A 101 20.979 9.929 -1.383 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.157 8.384 -1.060 1.00 2.22 H new ATOM 0 HG13 VAL A 101 20.638 8.806 -2.721 1.00 2.22 H new ATOM 0 HG21 VAL A 101 19.787 11.763 -2.520 1.00 2.67 H new ATOM 0 HG22 VAL A 101 19.386 10.723 -3.907 1.00 2.67 H new ATOM 0 HG23 VAL A 101 18.091 11.562 -3.021 1.00 2.67 H new ATOM 1578 N GLU A 102 18.014 6.991 -4.077 1.00 1.99 N ATOM 1579 CA GLU A 102 18.456 6.258 -5.265 1.00 2.40 C ATOM 1580 C GLU A 102 18.470 7.154 -6.502 1.00 2.00 C ATOM 1581 O GLU A 102 17.564 7.962 -6.707 1.00 2.49 O ATOM 1582 CB GLU A 102 17.550 5.051 -5.515 1.00 3.22 C ATOM 1583 CG GLU A 102 16.087 5.418 -5.706 1.00 3.87 C ATOM 1584 CD GLU A 102 15.766 5.806 -7.136 1.00 4.18 C ATOM 1585 OE1 GLU A 102 16.534 5.419 -8.042 1.00 4.58 O ATOM 1586 OE2 GLU A 102 14.747 6.496 -7.349 1.00 4.47 O ATOM 0 H GLU A 102 17.370 6.473 -3.479 1.00 1.99 H new ATOM 0 HA GLU A 102 19.474 5.915 -5.079 1.00 2.40 H new ATOM 0 HB2 GLU A 102 17.901 4.520 -6.400 1.00 3.22 H new ATOM 0 HB3 GLU A 102 17.637 4.362 -4.675 1.00 3.22 H new ATOM 0 HG2 GLU A 102 15.463 4.573 -5.414 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.834 6.246 -5.043 1.00 3.87 H new ATOM 1593 N ALA A 103 19.504 7.004 -7.321 1.00 1.84 N ATOM 1594 CA ALA A 103 19.637 7.799 -8.536 1.00 2.56 C ATOM 1595 C ALA A 103 20.359 7.017 -9.627 1.00 3.21 C ATOM 1596 O ALA A 103 21.570 6.756 -9.464 1.00 3.72 O ATOM 1597 CB ALA A 103 20.371 9.097 -8.238 1.00 3.26 C ATOM 1598 OXT ALA A 103 19.709 6.671 -10.636 1.00 3.79 O ATOM 0 H ALA A 103 20.262 6.340 -7.166 1.00 1.84 H new ATOM 0 HA ALA A 103 18.637 8.036 -8.898 1.00 2.56 H new ATOM 0 HB1 ALA A 103 20.464 9.681 -9.154 1.00 3.26 H new ATOM 0 HB2 ALA A 103 19.812 9.669 -7.497 1.00 3.26 H new ATOM 0 HB3 ALA A 103 21.364 8.872 -7.849 1.00 3.26 H new TER 1604 ALA A 103