USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 GLN : amide:sc= -1.98! C(o=-3!,f=-6.4!) USER MOD Set 2.2: A 94 THR OG1 : rot -169:sc= -0.997 USER MOD Set 3.1: A 88 ASN : amide:sc= -0.953 K(o=-0.95,f=0) USER MOD Set 3.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 38 ASN : amide:sc= -0.0158 K(o=-0.69,f=-1.6) USER MOD Set 4.2: A 89 HIS : no HD1:sc= -0.677 X(o=-0.69,f=-0.76) USER MOD Set 5.1: A 33 GLN : amide:sc= -1.31! C(o=-1.3!,f=-10!) USER MOD Set 5.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0.675 K(o=0.68,f=-9.1!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.08! C(o=-1.1!,f=-3.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 19 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.84) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 92:sc= 1.25 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0153) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -130:sc= -1.54 (180deg=-4.46!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.644 (180deg=-1.95!) USER MOD Single : A 54 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.56) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 110:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0915 (180deg=-0.456) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -110:sc= 1.05 USER MOD Single : A 72 ASN : amide:sc=-0.00457 X(o=-0.0046,f=-0.42) USER MOD Single : A 73 SER OG : rot -40:sc= 0.185 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -141:sc= 0.829 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 80 SER OG : rot -50:sc= 0.205 USER MOD Single : A 82 HIS : no HD1:sc= 0.393 K(o=0.39,f=-5.2!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0013 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 48:sc= -0.311! USER MOD Single : A 96 THR OG1 : rot 133:sc= 1.28 USER MOD Single : A 98 SER OG : rot 180:sc= -1.51! USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 102 GLN : amide:sc= -0.823 X(o=-0.82,f=-1.2) USER MOD Single : A 104 THR OG1 : rot -140:sc= 0.537 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 111 SER OG : rot 11:sc= 0.702 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 6 -20.013 -8.157 -5.661 1.00 1.47 N ATOM 2 CA HIS A 6 -19.504 -7.429 -6.850 1.00 1.07 C ATOM 3 C HIS A 6 -18.229 -6.668 -6.519 1.00 0.90 C ATOM 4 O HIS A 6 -17.225 -6.795 -7.218 1.00 0.88 O ATOM 5 CB HIS A 6 -20.545 -6.438 -7.389 1.00 1.31 C ATOM 6 CG HIS A 6 -21.729 -7.080 -8.039 1.00 1.89 C ATOM 7 ND1 HIS A 6 -21.707 -7.570 -9.325 1.00 2.36 N ATOM 8 CD2 HIS A 6 -22.980 -7.303 -7.575 1.00 2.83 C ATOM 9 CE1 HIS A 6 -22.892 -8.067 -9.624 1.00 3.15 C ATOM 10 NE2 HIS A 6 -23.682 -7.919 -8.580 1.00 3.43 N ATOM 0 HA HIS A 6 -19.295 -8.178 -7.613 1.00 1.07 H new ATOM 0 HB2 HIS A 6 -20.892 -5.811 -6.567 1.00 1.31 H new ATOM 0 HB3 HIS A 6 -20.062 -5.779 -8.111 1.00 1.31 H new ATOM 0 HD2 HIS A 6 -23.356 -7.044 -6.596 1.00 2.83 H new ATOM 0 HE1 HIS A 6 -23.168 -8.519 -10.565 1.00 3.15 H new ATOM 0 HE2 HIS A 6 -24.657 -8.214 -8.527 1.00 3.43 H new ATOM 21 N GLN A 7 -18.269 -5.888 -5.443 1.00 0.86 N ATOM 22 CA GLN A 7 -17.151 -5.027 -5.082 1.00 0.74 C ATOM 23 C GLN A 7 -15.885 -5.817 -4.809 1.00 0.69 C ATOM 24 O GLN A 7 -14.797 -5.294 -4.964 1.00 0.64 O ATOM 25 CB GLN A 7 -17.482 -4.186 -3.860 1.00 0.85 C ATOM 26 CG GLN A 7 -16.285 -3.441 -3.292 1.00 0.75 C ATOM 27 CD GLN A 7 -16.657 -2.515 -2.150 1.00 1.15 C ATOM 28 OE1 GLN A 7 -16.657 -2.919 -0.990 1.00 1.96 O ATOM 29 NE2 GLN A 7 -16.968 -1.271 -2.466 1.00 1.70 N ATOM 0 H GLN A 7 -19.064 -5.835 -4.807 1.00 0.86 H new ATOM 0 HA GLN A 7 -16.975 -4.377 -5.939 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -18.256 -3.465 -4.124 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -17.898 -4.832 -3.087 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.546 -4.162 -2.943 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -15.814 -2.861 -4.085 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.956 -0.974 -3.442 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -17.220 -0.607 -1.734 1.00 1.70 H new ATOM 38 N ASP A 8 -16.013 -7.063 -4.392 1.00 0.78 N ATOM 39 CA ASP A 8 -14.835 -7.876 -4.127 1.00 0.84 C ATOM 40 C ASP A 8 -13.941 -7.933 -5.366 1.00 0.77 C ATOM 41 O ASP A 8 -12.712 -7.882 -5.270 1.00 0.84 O ATOM 42 CB ASP A 8 -15.235 -9.279 -3.675 1.00 1.01 C ATOM 43 CG ASP A 8 -14.046 -10.214 -3.512 1.00 1.83 C ATOM 44 OD1 ASP A 8 -13.610 -10.818 -4.517 1.00 1.78 O ATOM 45 OD2 ASP A 8 -13.531 -10.342 -2.378 1.00 2.81 O ATOM 0 H ASP A 8 -16.905 -7.531 -4.231 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.270 -7.414 -3.318 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -15.769 -9.211 -2.727 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -15.928 -9.705 -4.401 1.00 1.01 H new ATOM 50 N ASN A 9 -14.576 -7.995 -6.528 1.00 0.72 N ATOM 51 CA ASN A 9 -13.866 -7.952 -7.797 1.00 0.70 C ATOM 52 C ASN A 9 -13.420 -6.527 -8.098 1.00 0.55 C ATOM 53 O ASN A 9 -12.329 -6.297 -8.623 1.00 0.53 O ATOM 54 CB ASN A 9 -14.763 -8.446 -8.920 1.00 0.80 C ATOM 55 CG ASN A 9 -13.990 -8.787 -10.179 1.00 1.28 C ATOM 56 OD1 ASN A 9 -13.777 -7.937 -11.040 1.00 2.04 O ATOM 57 ND2 ASN A 9 -13.570 -10.039 -10.297 1.00 1.78 N ATOM 0 H ASN A 9 -15.589 -8.076 -6.617 1.00 0.72 H new ATOM 0 HA ASN A 9 -12.992 -8.599 -7.726 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -15.308 -9.328 -8.583 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -15.505 -7.681 -9.150 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -13.049 -10.326 -11.126 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -13.768 -10.715 -9.559 1.00 1.78 H new ATOM 64 N ALA A 10 -14.275 -5.574 -7.743 1.00 0.51 N ATOM 65 CA ALA A 10 -14.000 -4.163 -7.976 1.00 0.45 C ATOM 66 C ALA A 10 -12.798 -3.717 -7.189 1.00 0.38 C ATOM 67 O ALA A 10 -11.882 -3.145 -7.749 1.00 0.35 O ATOM 68 CB ALA A 10 -15.173 -3.300 -7.584 1.00 0.49 C ATOM 0 H ALA A 10 -15.170 -5.756 -7.290 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.810 -4.050 -9.043 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.933 -2.253 -7.771 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -16.046 -3.583 -8.172 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.389 -3.439 -6.525 1.00 0.49 H new ATOM 74 N ARG A 11 -12.833 -3.968 -5.884 1.00 0.41 N ATOM 75 CA ARG A 11 -11.733 -3.642 -4.994 1.00 0.44 C ATOM 76 C ARG A 11 -10.440 -4.074 -5.615 1.00 0.35 C ATOM 77 O ARG A 11 -9.521 -3.281 -5.764 1.00 0.41 O ATOM 78 CB ARG A 11 -11.866 -4.371 -3.681 1.00 0.54 C ATOM 79 CG ARG A 11 -13.037 -3.963 -2.829 1.00 1.44 C ATOM 80 CD ARG A 11 -13.328 -5.046 -1.805 1.00 1.95 C ATOM 81 NE ARG A 11 -14.558 -4.809 -1.054 1.00 2.91 N ATOM 82 CZ ARG A 11 -15.095 -5.677 -0.195 1.00 3.53 C ATOM 83 NH1 ARG A 11 -14.479 -6.822 0.083 1.00 3.46 N ATOM 84 NH2 ARG A 11 -16.241 -5.383 0.402 1.00 4.41 N ATOM 0 H ARG A 11 -13.628 -4.404 -5.417 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.752 -2.565 -4.825 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -11.942 -5.439 -3.885 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -10.952 -4.220 -3.107 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.821 -3.021 -2.325 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -13.914 -3.796 -3.455 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -13.399 -6.008 -2.313 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -12.492 -5.114 -1.109 1.00 1.95 H new ATOM 0 HE ARG A 11 -15.039 -3.921 -1.196 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -13.588 -7.043 -0.362 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -14.897 -7.479 0.741 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -16.707 -4.498 0.204 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -16.657 -6.042 1.060 1.00 4.41 H new ATOM 98 N LYS A 12 -10.390 -5.344 -5.980 1.00 0.28 N ATOM 99 CA LYS A 12 -9.230 -5.884 -6.654 1.00 0.27 C ATOM 100 C LYS A 12 -8.754 -4.953 -7.759 1.00 0.23 C ATOM 101 O LYS A 12 -7.595 -4.584 -7.783 1.00 0.37 O ATOM 102 CB LYS A 12 -9.507 -7.269 -7.234 1.00 0.37 C ATOM 103 CG LYS A 12 -8.463 -7.679 -8.257 1.00 0.49 C ATOM 104 CD LYS A 12 -8.350 -9.180 -8.420 1.00 0.94 C ATOM 105 CE LYS A 12 -7.498 -9.784 -7.318 1.00 0.88 C ATOM 106 NZ LYS A 12 -7.123 -11.189 -7.617 1.00 1.56 N ATOM 0 H LYS A 12 -11.140 -6.016 -5.820 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.444 -5.976 -5.904 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -9.530 -8.001 -6.427 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.493 -7.276 -7.700 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -8.711 -7.232 -9.220 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -7.494 -7.278 -7.960 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -9.344 -9.627 -8.403 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -7.913 -9.412 -9.391 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.595 -9.187 -7.188 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -8.044 -9.746 -6.375 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -6.542 -11.566 -6.841 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -7.984 -11.764 -7.716 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.580 -11.222 -8.504 1.00 1.56 H new ATOM 120 N SER A 13 -9.660 -4.544 -8.635 1.00 0.21 N ATOM 121 CA SER A 13 -9.288 -3.727 -9.786 1.00 0.24 C ATOM 122 C SER A 13 -9.025 -2.275 -9.382 1.00 0.24 C ATOM 123 O SER A 13 -8.061 -1.655 -9.834 1.00 0.28 O ATOM 124 CB SER A 13 -10.397 -3.775 -10.839 1.00 0.30 C ATOM 125 OG SER A 13 -10.070 -2.980 -11.970 1.00 0.90 O ATOM 0 H SER A 13 -10.655 -4.762 -8.573 1.00 0.21 H new ATOM 0 HA SER A 13 -8.367 -4.135 -10.202 1.00 0.24 H new ATOM 0 HB2 SER A 13 -10.560 -4.806 -11.152 1.00 0.30 H new ATOM 0 HB3 SER A 13 -11.332 -3.423 -10.402 1.00 0.30 H new ATOM 0 HG SER A 13 -10.796 -3.031 -12.627 1.00 0.90 H new ATOM 131 N ARG A 14 -9.890 -1.750 -8.531 1.00 0.25 N ATOM 132 CA ARG A 14 -9.853 -0.352 -8.140 1.00 0.30 C ATOM 133 C ARG A 14 -8.636 -0.061 -7.263 1.00 0.24 C ATOM 134 O ARG A 14 -8.109 1.043 -7.274 1.00 0.30 O ATOM 135 CB ARG A 14 -11.153 0.018 -7.408 1.00 0.37 C ATOM 136 CG ARG A 14 -11.289 -0.654 -6.059 1.00 0.36 C ATOM 137 CD ARG A 14 -11.310 0.350 -4.925 1.00 0.52 C ATOM 138 NE ARG A 14 -10.442 1.499 -5.195 1.00 1.14 N ATOM 139 CZ ARG A 14 -10.864 2.765 -5.236 1.00 1.41 C ATOM 140 NH1 ARG A 14 -12.143 3.053 -5.026 1.00 1.66 N ATOM 141 NH2 ARG A 14 -10.005 3.746 -5.484 1.00 2.05 N ATOM 0 H ARG A 14 -10.640 -2.283 -8.091 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.767 0.259 -9.038 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -11.192 1.099 -7.274 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -12.004 -0.257 -8.031 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.206 -1.244 -6.038 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.461 -1.347 -5.914 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -12.331 0.696 -4.766 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -10.991 -0.137 -4.003 1.00 0.52 H new ATOM 0 HE ARG A 14 -9.452 1.320 -5.362 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.809 2.305 -4.832 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -12.460 4.022 -5.059 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -9.020 3.533 -5.644 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -10.330 4.712 -5.515 1.00 2.05 H new ATOM 155 N ILE A 15 -8.205 -1.049 -6.495 1.00 0.17 N ATOM 156 CA ILE A 15 -7.019 -0.922 -5.683 1.00 0.15 C ATOM 157 C ILE A 15 -5.794 -1.213 -6.520 1.00 0.13 C ATOM 158 O ILE A 15 -4.799 -0.511 -6.429 1.00 0.13 O ATOM 159 CB ILE A 15 -7.035 -1.922 -4.532 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.260 -1.717 -3.643 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.768 -1.783 -3.715 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.444 -2.825 -2.636 1.00 0.34 C ATOM 0 H ILE A 15 -8.669 -1.954 -6.421 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.995 0.095 -5.291 1.00 0.15 H new ATOM 0 HB ILE A 15 -7.087 -2.927 -4.950 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -8.167 -0.767 -3.118 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -9.150 -1.649 -4.269 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.784 -2.500 -2.894 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.903 -1.977 -4.349 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.703 -0.772 -3.313 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.330 -2.625 -2.033 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.567 -3.774 -3.158 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.569 -2.877 -1.989 1.00 0.34 H new ATOM 174 N GLN A 16 -5.888 -2.276 -7.316 1.00 0.15 N ATOM 175 CA GLN A 16 -4.798 -2.740 -8.169 1.00 0.20 C ATOM 176 C GLN A 16 -4.166 -1.597 -8.942 1.00 0.21 C ATOM 177 O GLN A 16 -2.939 -1.504 -9.035 1.00 0.24 O ATOM 178 CB GLN A 16 -5.330 -3.769 -9.146 1.00 0.25 C ATOM 179 CG GLN A 16 -4.610 -5.105 -9.097 1.00 0.40 C ATOM 180 CD GLN A 16 -4.948 -5.991 -10.280 1.00 1.08 C ATOM 181 OE1 GLN A 16 -4.253 -5.992 -11.297 1.00 1.85 O ATOM 182 NE2 GLN A 16 -6.033 -6.736 -10.165 1.00 1.71 N ATOM 0 H GLN A 16 -6.732 -2.845 -7.387 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.033 -3.180 -7.529 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.389 -3.932 -8.944 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.257 -3.366 -10.156 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.534 -4.933 -9.072 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.872 -5.622 -8.174 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -6.583 -6.708 -9.306 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -6.321 -7.340 -10.935 1.00 1.71 H new ATOM 191 N SER A 17 -5.014 -0.721 -9.470 1.00 0.23 N ATOM 192 CA SER A 17 -4.556 0.412 -10.247 1.00 0.28 C ATOM 193 C SER A 17 -3.606 1.280 -9.441 1.00 0.25 C ATOM 194 O SER A 17 -2.630 1.794 -9.979 1.00 0.34 O ATOM 195 CB SER A 17 -5.751 1.220 -10.751 1.00 0.33 C ATOM 196 OG SER A 17 -6.730 1.369 -9.738 1.00 1.04 O ATOM 0 H SER A 17 -6.027 -0.780 -9.370 1.00 0.23 H new ATOM 0 HA SER A 17 -4.003 0.040 -11.110 1.00 0.28 H new ATOM 0 HB2 SER A 17 -5.415 2.202 -11.084 1.00 0.33 H new ATOM 0 HB3 SER A 17 -6.191 0.723 -11.616 1.00 0.33 H new ATOM 0 HG SER A 17 -7.483 1.891 -10.085 1.00 1.04 H new ATOM 202 N GLU A 18 -3.895 1.439 -8.158 1.00 0.19 N ATOM 203 CA GLU A 18 -3.024 2.175 -7.258 1.00 0.20 C ATOM 204 C GLU A 18 -1.948 1.279 -6.668 1.00 0.16 C ATOM 205 O GLU A 18 -0.832 1.715 -6.453 1.00 0.17 O ATOM 206 CB GLU A 18 -3.823 2.760 -6.117 1.00 0.28 C ATOM 207 CG GLU A 18 -5.119 3.392 -6.548 1.00 0.37 C ATOM 208 CD GLU A 18 -6.201 3.238 -5.499 1.00 1.43 C ATOM 209 OE1 GLU A 18 -5.873 2.890 -4.345 1.00 2.36 O ATOM 210 OE2 GLU A 18 -7.389 3.467 -5.830 1.00 1.76 O ATOM 0 H GLU A 18 -4.734 1.064 -7.715 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.555 2.966 -7.843 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.036 1.973 -5.393 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.216 3.508 -5.606 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -4.957 4.451 -6.749 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.451 2.938 -7.481 1.00 0.37 H new ATOM 217 N HIS A 19 -2.310 0.036 -6.374 1.00 0.15 N ATOM 218 CA HIS A 19 -1.409 -0.914 -5.734 1.00 0.14 C ATOM 219 C HIS A 19 -0.046 -0.881 -6.396 1.00 0.13 C ATOM 220 O HIS A 19 0.932 -0.587 -5.731 1.00 0.13 O ATOM 221 CB HIS A 19 -2.027 -2.329 -5.740 1.00 0.15 C ATOM 222 CG HIS A 19 -1.041 -3.451 -5.611 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.212 -3.618 -4.524 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.756 -4.463 -6.458 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.543 -4.683 -4.715 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.233 -5.215 -5.880 1.00 0.36 N ATOM 0 H HIS A 19 -3.237 -0.342 -6.573 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.268 -0.627 -4.692 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.744 -2.400 -4.922 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.586 -2.461 -6.666 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.222 -4.646 -7.415 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.290 -5.056 -4.031 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.659 -6.049 -6.285 1.00 0.36 H new ATOM 235 N ARG A 20 -0.009 -1.096 -7.703 1.00 0.14 N ATOM 236 CA ARG A 20 1.247 -1.110 -8.455 1.00 0.14 C ATOM 237 C ARG A 20 2.009 0.206 -8.282 1.00 0.12 C ATOM 238 O ARG A 20 3.240 0.236 -8.290 1.00 0.15 O ATOM 239 CB ARG A 20 0.955 -1.347 -9.930 1.00 0.19 C ATOM 240 CG ARG A 20 -0.005 -2.497 -10.166 1.00 0.25 C ATOM 241 CD ARG A 20 -0.009 -2.919 -11.615 1.00 0.90 C ATOM 242 NE ARG A 20 -1.034 -3.922 -11.887 1.00 2.11 N ATOM 243 CZ ARG A 20 -1.502 -4.198 -13.102 1.00 2.93 C ATOM 244 NH1 ARG A 20 -1.002 -3.579 -14.163 1.00 2.80 N ATOM 245 NH2 ARG A 20 -2.466 -5.097 -13.255 1.00 4.14 N ATOM 0 H ARG A 20 -0.838 -1.265 -8.272 1.00 0.14 H new ATOM 0 HA ARG A 20 1.870 -1.916 -8.068 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.538 -0.438 -10.363 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.890 -1.549 -10.452 1.00 0.19 H new ATOM 0 HG2 ARG A 20 0.277 -3.343 -9.539 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -1.011 -2.201 -9.868 1.00 0.25 H new ATOM 0 HD2 ARG A 20 -0.178 -2.047 -12.247 1.00 0.90 H new ATOM 0 HD3 ARG A 20 0.970 -3.319 -11.879 1.00 0.90 H new ATOM 0 HE ARG A 20 -1.415 -4.443 -11.097 1.00 2.11 H new ATOM 0 HH11 ARG A 20 -0.258 -2.891 -14.048 1.00 2.80 H new ATOM 0 HH12 ARG A 20 -1.361 -3.791 -15.094 1.00 2.80 H new ATOM 0 HH21 ARG A 20 -2.849 -5.577 -12.441 1.00 4.14 H new ATOM 0 HH22 ARG A 20 -2.824 -5.308 -14.187 1.00 4.14 H new ATOM 259 N GLU A 21 1.254 1.277 -8.101 1.00 0.14 N ATOM 260 CA GLU A 21 1.801 2.617 -7.928 1.00 0.14 C ATOM 261 C GLU A 21 2.440 2.753 -6.552 1.00 0.11 C ATOM 262 O GLU A 21 3.558 3.237 -6.421 1.00 0.13 O ATOM 263 CB GLU A 21 0.671 3.642 -8.064 1.00 0.20 C ATOM 264 CG GLU A 21 -0.327 3.302 -9.161 1.00 0.33 C ATOM 265 CD GLU A 21 0.186 3.590 -10.558 1.00 0.52 C ATOM 266 OE1 GLU A 21 -0.370 4.482 -11.224 1.00 0.98 O ATOM 267 OE2 GLU A 21 1.142 2.921 -11.001 1.00 0.82 O ATOM 0 H GLU A 21 0.235 1.243 -8.069 1.00 0.14 H new ATOM 0 HA GLU A 21 2.560 2.793 -8.690 1.00 0.14 H new ATOM 0 HB2 GLU A 21 0.143 3.717 -7.114 1.00 0.20 H new ATOM 0 HB3 GLU A 21 1.103 4.622 -8.267 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.588 2.246 -9.089 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.243 3.868 -8.995 1.00 0.33 H new ATOM 274 N LEU A 22 1.710 2.321 -5.531 1.00 0.10 N ATOM 275 CA LEU A 22 2.196 2.378 -4.154 1.00 0.09 C ATOM 276 C LEU A 22 3.467 1.555 -3.967 1.00 0.09 C ATOM 277 O LEU A 22 4.337 1.926 -3.186 1.00 0.12 O ATOM 278 CB LEU A 22 1.127 1.923 -3.149 1.00 0.10 C ATOM 279 CG LEU A 22 0.053 2.965 -2.811 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.693 4.328 -2.585 1.00 0.18 C ATOM 281 CD2 LEU A 22 -0.980 3.054 -3.908 1.00 0.22 C ATOM 0 H LEU A 22 0.775 1.925 -5.629 1.00 0.10 H new ATOM 0 HA LEU A 22 2.430 3.424 -3.956 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.635 1.035 -3.546 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.624 1.626 -2.225 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.447 2.650 -1.895 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -0.080 5.058 -2.346 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.401 4.265 -1.758 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.218 4.638 -3.489 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.729 3.800 -3.643 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.496 3.342 -4.841 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.462 2.084 -4.034 1.00 0.22 H new ATOM 293 N VAL A 23 3.588 0.438 -4.671 1.00 0.08 N ATOM 294 CA VAL A 23 4.802 -0.349 -4.586 1.00 0.09 C ATOM 295 C VAL A 23 5.895 0.267 -5.449 1.00 0.11 C ATOM 296 O VAL A 23 7.077 0.199 -5.107 1.00 0.12 O ATOM 297 CB VAL A 23 4.587 -1.835 -4.937 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.156 -2.131 -5.341 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.534 -2.275 -6.022 1.00 0.12 C ATOM 0 H VAL A 23 2.873 0.065 -5.295 1.00 0.08 H new ATOM 0 HA VAL A 23 5.119 -0.329 -3.543 1.00 0.09 H new ATOM 0 HB VAL A 23 4.796 -2.403 -4.031 1.00 0.11 H new ATOM 0 HG11 VAL A 23 3.057 -3.190 -5.578 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.486 -1.879 -4.519 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.895 -1.537 -6.217 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.362 -3.327 -6.251 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.365 -1.676 -6.917 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.562 -2.141 -5.684 1.00 0.12 H new ATOM 309 N SER A 24 5.497 0.881 -6.559 1.00 0.12 N ATOM 310 CA SER A 24 6.412 1.706 -7.333 1.00 0.15 C ATOM 311 C SER A 24 6.979 2.784 -6.419 1.00 0.13 C ATOM 312 O SER A 24 8.123 3.218 -6.564 1.00 0.15 O ATOM 313 CB SER A 24 5.683 2.348 -8.516 1.00 0.19 C ATOM 314 OG SER A 24 6.555 3.156 -9.289 1.00 0.74 O ATOM 0 H SER A 24 4.552 0.822 -6.939 1.00 0.12 H new ATOM 0 HA SER A 24 7.219 1.089 -7.729 1.00 0.15 H new ATOM 0 HB2 SER A 24 5.254 1.569 -9.146 1.00 0.19 H new ATOM 0 HB3 SER A 24 4.855 2.954 -8.149 1.00 0.19 H new ATOM 0 HG SER A 24 6.059 3.550 -10.037 1.00 0.74 H new ATOM 320 N ALA A 25 6.166 3.179 -5.450 1.00 0.10 N ATOM 321 CA ALA A 25 6.567 4.166 -4.468 1.00 0.09 C ATOM 322 C ALA A 25 7.403 3.515 -3.381 1.00 0.08 C ATOM 323 O ALA A 25 8.317 4.139 -2.858 1.00 0.08 O ATOM 324 CB ALA A 25 5.358 4.849 -3.861 1.00 0.12 C ATOM 0 H ALA A 25 5.217 2.825 -5.326 1.00 0.10 H new ATOM 0 HA ALA A 25 7.168 4.923 -4.972 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.686 5.585 -3.127 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.790 5.348 -4.646 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.727 4.106 -3.373 1.00 0.12 H new ATOM 330 N ILE A 26 7.089 2.263 -3.034 1.00 0.08 N ATOM 331 CA ILE A 26 7.902 1.519 -2.089 1.00 0.08 C ATOM 332 C ILE A 26 9.335 1.462 -2.587 1.00 0.09 C ATOM 333 O ILE A 26 10.265 1.846 -1.884 1.00 0.12 O ATOM 334 CB ILE A 26 7.375 0.073 -1.859 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.348 0.051 -0.737 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.503 -0.893 -1.531 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.000 -1.345 -0.268 1.00 0.20 C ATOM 0 H ILE A 26 6.282 1.753 -3.395 1.00 0.08 H new ATOM 0 HA ILE A 26 7.850 2.041 -1.134 1.00 0.08 H new ATOM 0 HB ILE A 26 6.907 -0.250 -2.789 1.00 0.11 H new ATOM 0 HG12 ILE A 26 6.731 0.625 0.107 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.440 0.549 -1.076 1.00 0.18 H new ATOM 0 HG21 ILE A 26 8.094 -1.892 -1.377 1.00 0.15 H new ATOM 0 HG22 ILE A 26 9.214 -0.915 -2.356 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.010 -0.565 -0.624 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.263 -1.287 0.533 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.588 -1.916 -1.100 1.00 0.20 H new ATOM 0 HD13 ILE A 26 6.899 -1.839 0.101 1.00 0.20 H new ATOM 349 N GLN A 27 9.490 1.017 -3.824 1.00 0.09 N ATOM 350 CA GLN A 27 10.799 0.880 -4.436 1.00 0.11 C ATOM 351 C GLN A 27 11.508 2.235 -4.505 1.00 0.13 C ATOM 352 O GLN A 27 12.729 2.323 -4.368 1.00 0.17 O ATOM 353 CB GLN A 27 10.650 0.259 -5.823 1.00 0.11 C ATOM 354 CG GLN A 27 9.955 -1.088 -5.781 1.00 0.13 C ATOM 355 CD GLN A 27 9.962 -1.802 -7.116 1.00 0.19 C ATOM 356 OE1 GLN A 27 9.059 -1.630 -7.935 1.00 0.99 O ATOM 357 NE2 GLN A 27 10.979 -2.617 -7.339 1.00 1.25 N ATOM 0 H GLN A 27 8.715 0.742 -4.428 1.00 0.09 H new ATOM 0 HA GLN A 27 11.416 0.221 -3.825 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.085 0.937 -6.463 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.636 0.143 -6.274 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.441 -1.718 -5.036 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.924 -0.948 -5.456 1.00 0.13 H new ATOM 0 HE21 GLN A 27 11.706 -2.730 -6.633 1.00 1.25 H new ATOM 0 HE22 GLN A 27 11.036 -3.133 -8.217 1.00 1.25 H new ATOM 366 N SER A 28 10.722 3.286 -4.689 1.00 0.13 N ATOM 367 CA SER A 28 11.231 4.647 -4.702 1.00 0.16 C ATOM 368 C SER A 28 11.647 5.097 -3.292 1.00 0.18 C ATOM 369 O SER A 28 12.760 5.585 -3.086 1.00 0.22 O ATOM 370 CB SER A 28 10.146 5.562 -5.265 1.00 0.16 C ATOM 371 OG SER A 28 9.898 5.280 -6.632 1.00 0.68 O ATOM 0 H SER A 28 9.715 3.218 -4.833 1.00 0.13 H new ATOM 0 HA SER A 28 12.121 4.697 -5.330 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.227 5.436 -4.692 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.451 6.603 -5.155 1.00 0.16 H new ATOM 0 HG SER A 28 9.180 4.617 -6.704 1.00 0.68 H new ATOM 377 N TYR A 29 10.738 4.921 -2.334 1.00 0.16 N ATOM 378 CA TYR A 29 10.978 5.227 -0.922 1.00 0.19 C ATOM 379 C TYR A 29 12.222 4.500 -0.431 1.00 0.24 C ATOM 380 O TYR A 29 13.164 5.112 0.067 1.00 0.28 O ATOM 381 CB TYR A 29 9.741 4.781 -0.121 1.00 0.15 C ATOM 382 CG TYR A 29 9.736 5.054 1.380 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.557 4.887 2.098 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.871 5.443 2.085 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.504 5.095 3.462 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.822 5.654 3.451 1.00 0.27 C ATOM 387 CZ TYR A 29 9.639 5.477 4.134 1.00 0.22 C ATOM 388 OH TYR A 29 9.592 5.682 5.496 1.00 0.32 O ATOM 0 H TYR A 29 9.803 4.558 -2.517 1.00 0.16 H new ATOM 0 HA TYR A 29 11.142 6.296 -0.789 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.867 5.268 -0.554 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.614 3.708 -0.268 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.660 4.587 1.576 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.803 5.582 1.558 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.576 4.958 3.997 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.712 5.958 3.982 1.00 0.27 H new ATOM 0 HH TYR A 29 10.479 5.947 5.818 1.00 0.32 H new ATOM 398 N ILE A 30 12.212 3.192 -0.596 1.00 0.25 N ATOM 399 CA ILE A 30 13.271 2.334 -0.107 1.00 0.32 C ATOM 400 C ILE A 30 14.613 2.645 -0.757 1.00 0.38 C ATOM 401 O ILE A 30 15.645 2.639 -0.087 1.00 0.44 O ATOM 402 CB ILE A 30 12.884 0.869 -0.329 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.648 0.566 0.523 1.00 0.28 C ATOM 404 CG2 ILE A 30 14.048 -0.059 -0.014 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.183 -0.865 0.471 1.00 0.29 C ATOM 0 H ILE A 30 11.464 2.692 -1.076 1.00 0.25 H new ATOM 0 HA ILE A 30 13.392 2.522 0.960 1.00 0.32 H new ATOM 0 HB ILE A 30 12.641 0.697 -1.378 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.865 0.826 1.559 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.832 1.211 0.197 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.745 -1.093 -0.180 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.890 0.181 -0.663 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.344 0.069 1.027 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.304 -0.985 1.104 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.929 -1.128 -0.556 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.979 -1.519 0.827 1.00 0.29 H new ATOM 417 N GLY A 31 14.594 2.955 -2.044 1.00 0.38 N ATOM 418 CA GLY A 31 15.825 3.281 -2.734 1.00 0.47 C ATOM 419 C GLY A 31 16.394 4.604 -2.261 1.00 0.50 C ATOM 420 O GLY A 31 17.583 4.877 -2.418 1.00 0.57 O ATOM 0 H GLY A 31 13.753 2.987 -2.621 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.556 2.490 -2.569 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.641 3.326 -3.807 1.00 0.47 H new ATOM 424 N ALA A 32 15.535 5.411 -1.657 1.00 0.48 N ATOM 425 CA ALA A 32 15.918 6.717 -1.150 1.00 0.51 C ATOM 426 C ALA A 32 16.372 6.629 0.294 1.00 0.54 C ATOM 427 O ALA A 32 17.126 7.476 0.773 1.00 0.60 O ATOM 428 CB ALA A 32 14.743 7.666 -1.245 1.00 0.46 C ATOM 0 H ALA A 32 14.554 5.178 -1.505 1.00 0.48 H new ATOM 0 HA ALA A 32 16.746 7.086 -1.755 1.00 0.51 H new ATOM 0 HB1 ALA A 32 15.034 8.645 -0.864 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.434 7.759 -2.286 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.913 7.278 -0.654 1.00 0.46 H new ATOM 434 N GLN A 33 15.893 5.598 0.980 1.00 0.50 N ATOM 435 CA GLN A 33 16.128 5.430 2.398 1.00 0.53 C ATOM 436 C GLN A 33 17.597 5.425 2.778 1.00 0.65 C ATOM 437 O GLN A 33 18.480 5.184 1.951 1.00 0.70 O ATOM 438 CB GLN A 33 15.486 4.148 2.859 1.00 0.50 C ATOM 439 CG GLN A 33 14.012 4.314 3.081 1.00 0.42 C ATOM 440 CD GLN A 33 13.690 4.706 4.509 1.00 0.44 C ATOM 441 OE1 GLN A 33 13.486 3.853 5.372 1.00 1.04 O ATOM 442 NE2 GLN A 33 13.651 6.000 4.775 1.00 1.19 N ATOM 0 H GLN A 33 15.330 4.857 0.562 1.00 0.50 H new ATOM 0 HA GLN A 33 15.684 6.294 2.893 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.657 3.368 2.117 1.00 0.50 H new ATOM 0 HB3 GLN A 33 15.958 3.817 3.784 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.627 5.074 2.401 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.502 3.382 2.838 1.00 0.42 H new ATOM 0 HE21 GLN A 33 13.825 6.679 4.034 1.00 1.19 H new ATOM 0 HE22 GLN A 33 13.447 6.320 5.722 1.00 1.19 H new ATOM 451 N ASP A 34 17.832 5.684 4.058 1.00 0.72 N ATOM 452 CA ASP A 34 19.168 5.654 4.632 1.00 0.85 C ATOM 453 C ASP A 34 19.719 4.242 4.554 1.00 0.88 C ATOM 454 O ASP A 34 20.922 4.026 4.431 1.00 0.99 O ATOM 455 CB ASP A 34 19.118 6.126 6.082 1.00 0.90 C ATOM 456 CG ASP A 34 20.432 6.714 6.555 1.00 1.06 C ATOM 457 OD1 ASP A 34 21.303 5.953 7.029 1.00 1.14 O ATOM 458 OD2 ASP A 34 20.598 7.949 6.466 1.00 1.22 O ATOM 0 H ASP A 34 17.099 5.921 4.727 1.00 0.72 H new ATOM 0 HA ASP A 34 19.822 6.322 4.071 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.332 6.873 6.189 1.00 0.90 H new ATOM 0 HB3 ASP A 34 18.849 5.287 6.723 1.00 0.90 H new ATOM 463 N ASP A 35 18.806 3.291 4.624 1.00 0.82 N ATOM 464 CA ASP A 35 19.119 1.887 4.386 1.00 0.89 C ATOM 465 C ASP A 35 18.000 1.264 3.580 1.00 0.80 C ATOM 466 O ASP A 35 16.889 1.094 4.081 1.00 0.77 O ATOM 467 CB ASP A 35 19.288 1.061 5.670 1.00 0.99 C ATOM 468 CG ASP A 35 20.260 1.653 6.663 1.00 1.60 C ATOM 469 OD1 ASP A 35 19.809 2.336 7.602 1.00 2.19 O ATOM 470 OD2 ASP A 35 21.479 1.417 6.526 1.00 1.95 O ATOM 0 H ASP A 35 17.826 3.466 4.847 1.00 0.82 H new ATOM 0 HA ASP A 35 20.073 1.872 3.859 1.00 0.89 H new ATOM 0 HB2 ASP A 35 18.315 0.954 6.150 1.00 0.99 H new ATOM 0 HB3 ASP A 35 19.624 0.059 5.403 1.00 0.99 H new ATOM 475 N PRO A 36 18.268 0.923 2.324 1.00 0.79 N ATOM 476 CA PRO A 36 17.309 0.232 1.461 1.00 0.72 C ATOM 477 C PRO A 36 17.257 -1.238 1.789 1.00 0.77 C ATOM 478 O PRO A 36 16.530 -2.016 1.183 1.00 0.77 O ATOM 479 CB PRO A 36 17.919 0.431 0.089 1.00 0.73 C ATOM 480 CG PRO A 36 19.374 0.366 0.370 1.00 0.84 C ATOM 481 CD PRO A 36 19.532 1.185 1.614 1.00 0.85 C ATOM 0 HA PRO A 36 16.289 0.603 1.559 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.606 -0.344 -0.610 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.633 1.388 -0.347 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.707 -0.661 0.521 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.960 0.773 -0.454 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.398 0.875 2.198 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.661 2.244 1.390 1.00 0.85 H new ATOM 489 N THR A 37 18.073 -1.590 2.745 1.00 0.84 N ATOM 490 CA THR A 37 18.258 -2.957 3.141 1.00 0.90 C ATOM 491 C THR A 37 17.175 -3.391 4.111 1.00 0.89 C ATOM 492 O THR A 37 16.774 -4.554 4.143 1.00 0.91 O ATOM 493 CB THR A 37 19.645 -3.104 3.788 1.00 1.03 C ATOM 494 OG1 THR A 37 19.640 -2.499 5.089 1.00 1.07 O ATOM 495 CG2 THR A 37 20.693 -2.403 2.934 1.00 1.06 C ATOM 0 H THR A 37 18.635 -0.926 3.277 1.00 0.84 H new ATOM 0 HA THR A 37 18.191 -3.597 2.261 1.00 0.90 H new ATOM 0 HB THR A 37 19.881 -4.165 3.869 1.00 1.03 H new ATOM 0 HG1 THR A 37 20.525 -2.596 5.498 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.673 -2.511 3.399 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.711 -2.850 1.940 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.446 -1.345 2.851 1.00 1.06 H new ATOM 503 N ASN A 38 16.703 -2.433 4.882 1.00 0.87 N ATOM 504 CA ASN A 38 15.625 -2.648 5.828 1.00 0.88 C ATOM 505 C ASN A 38 15.031 -1.311 6.252 1.00 0.80 C ATOM 506 O ASN A 38 15.158 -0.892 7.404 1.00 0.86 O ATOM 507 CB ASN A 38 16.159 -3.407 7.027 1.00 1.05 C ATOM 508 CG ASN A 38 15.068 -3.846 7.989 1.00 1.02 C ATOM 509 OD1 ASN A 38 13.918 -4.050 7.597 1.00 1.43 O ATOM 510 ND2 ASN A 38 15.420 -3.994 9.256 1.00 1.64 N ATOM 0 H ASN A 38 17.058 -1.477 4.871 1.00 0.87 H new ATOM 0 HA ASN A 38 14.835 -3.236 5.361 1.00 0.88 H new ATOM 0 HB2 ASN A 38 16.704 -4.285 6.680 1.00 1.05 H new ATOM 0 HB3 ASN A 38 16.873 -2.778 7.559 1.00 1.05 H new ATOM 0 HD21 ASN A 38 14.729 -4.287 9.947 1.00 1.64 H new ATOM 0 HD22 ASN A 38 16.383 -3.816 9.542 1.00 1.64 H new ATOM 517 N PRO A 39 14.408 -0.612 5.295 1.00 0.68 N ATOM 518 CA PRO A 39 13.783 0.699 5.523 1.00 0.61 C ATOM 519 C PRO A 39 12.693 0.695 6.597 1.00 0.63 C ATOM 520 O PRO A 39 12.324 -0.353 7.134 1.00 0.73 O ATOM 521 CB PRO A 39 13.175 1.057 4.166 1.00 0.53 C ATOM 522 CG PRO A 39 13.157 -0.212 3.391 1.00 0.54 C ATOM 523 CD PRO A 39 14.298 -1.025 3.888 1.00 0.64 C ATOM 0 HA PRO A 39 14.522 1.411 5.890 1.00 0.61 H new ATOM 0 HB2 PRO A 39 12.169 1.461 4.281 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.768 1.818 3.659 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.214 -0.740 3.532 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.256 -0.016 2.323 1.00 0.54 H new ATOM 0 HD2 PRO A 39 14.104 -2.093 3.795 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.213 -0.818 3.334 1.00 0.64 H new ATOM 531 N SER A 40 12.185 1.885 6.895 1.00 0.58 N ATOM 532 CA SER A 40 11.127 2.063 7.881 1.00 0.61 C ATOM 533 C SER A 40 9.808 1.480 7.383 1.00 0.53 C ATOM 534 O SER A 40 9.724 0.953 6.269 1.00 0.49 O ATOM 535 CB SER A 40 10.946 3.555 8.177 1.00 0.64 C ATOM 536 OG SER A 40 12.193 4.175 8.455 1.00 0.77 O ATOM 0 H SER A 40 12.495 2.754 6.460 1.00 0.58 H new ATOM 0 HA SER A 40 11.415 1.536 8.790 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.475 4.044 7.324 1.00 0.64 H new ATOM 0 HB3 SER A 40 10.276 3.682 9.027 1.00 0.64 H new ATOM 0 HG SER A 40 12.051 5.127 8.639 1.00 0.77 H new ATOM 542 N GLU A 41 8.777 1.575 8.211 1.00 0.58 N ATOM 543 CA GLU A 41 7.456 1.161 7.813 1.00 0.55 C ATOM 544 C GLU A 41 6.909 2.134 6.800 1.00 0.51 C ATOM 545 O GLU A 41 6.974 3.351 6.977 1.00 0.72 O ATOM 546 CB GLU A 41 6.547 1.041 9.034 1.00 0.66 C ATOM 547 CG GLU A 41 5.074 1.128 8.710 1.00 0.66 C ATOM 548 CD GLU A 41 4.191 0.804 9.899 1.00 0.82 C ATOM 549 OE1 GLU A 41 3.714 -0.346 9.995 1.00 0.85 O ATOM 550 OE2 GLU A 41 3.974 1.693 10.751 1.00 0.99 O ATOM 0 H GLU A 41 8.839 1.937 9.163 1.00 0.58 H new ATOM 0 HA GLU A 41 7.503 0.177 7.348 1.00 0.55 H new ATOM 0 HB2 GLU A 41 6.745 0.091 9.530 1.00 0.66 H new ATOM 0 HB3 GLU A 41 6.801 1.829 9.743 1.00 0.66 H new ATOM 0 HG2 GLU A 41 4.843 2.132 8.355 1.00 0.66 H new ATOM 0 HG3 GLU A 41 4.845 0.441 7.895 1.00 0.66 H new ATOM 557 N ILE A 42 6.403 1.584 5.725 1.00 0.29 N ATOM 558 CA ILE A 42 6.000 2.367 4.604 1.00 0.21 C ATOM 559 C ILE A 42 4.497 2.578 4.584 1.00 0.22 C ATOM 560 O ILE A 42 3.723 1.628 4.700 1.00 0.27 O ATOM 561 CB ILE A 42 6.459 1.688 3.318 1.00 0.16 C ATOM 562 CG1 ILE A 42 7.985 1.719 3.245 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.822 2.348 2.122 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.536 1.552 1.857 1.00 0.15 C ATOM 0 H ILE A 42 6.262 0.580 5.611 1.00 0.29 H new ATOM 0 HA ILE A 42 6.467 3.349 4.684 1.00 0.21 H new ATOM 0 HB ILE A 42 6.142 0.645 3.316 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.338 2.666 3.653 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.385 0.929 3.881 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.159 1.853 1.211 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.737 2.270 2.198 1.00 0.13 H new ATOM 0 HG23 ILE A 42 6.109 3.399 2.091 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.625 1.585 1.891 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.215 0.593 1.451 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.168 2.357 1.220 1.00 0.15 H new ATOM 576 N THR A 43 4.091 3.829 4.453 1.00 0.19 N ATOM 577 CA THR A 43 2.686 4.155 4.354 1.00 0.19 C ATOM 578 C THR A 43 2.440 5.086 3.199 1.00 0.16 C ATOM 579 O THR A 43 3.374 5.658 2.650 1.00 0.15 O ATOM 580 CB THR A 43 2.143 4.794 5.641 1.00 0.21 C ATOM 581 OG1 THR A 43 2.873 5.984 5.943 1.00 0.21 O ATOM 582 CG2 THR A 43 2.240 3.821 6.802 1.00 0.22 C ATOM 0 H THR A 43 4.717 4.633 4.413 1.00 0.19 H new ATOM 0 HA THR A 43 2.158 3.215 4.193 1.00 0.19 H new ATOM 0 HB THR A 43 1.094 5.047 5.485 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.519 6.386 6.764 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.851 4.292 7.705 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.657 2.928 6.578 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.282 3.544 6.958 1.00 0.22 H new ATOM 590 N LEU A 44 1.186 5.244 2.846 1.00 0.16 N ATOM 591 CA LEU A 44 0.813 6.073 1.718 1.00 0.15 C ATOM 592 C LEU A 44 1.195 7.512 1.971 1.00 0.15 C ATOM 593 O LEU A 44 1.678 8.215 1.087 1.00 0.16 O ATOM 594 CB LEU A 44 -0.674 5.973 1.496 1.00 0.16 C ATOM 595 CG LEU A 44 -1.210 4.564 1.404 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.621 4.582 0.880 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.294 3.713 0.540 1.00 0.18 C ATOM 0 H LEU A 44 0.400 4.807 3.326 1.00 0.16 H new ATOM 0 HA LEU A 44 1.342 5.724 0.831 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.184 6.488 2.311 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -0.926 6.503 0.577 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.233 4.117 2.398 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -2.999 3.562 0.817 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.252 5.162 1.554 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.635 5.036 -0.111 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.689 2.699 0.480 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.238 4.140 -0.461 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.703 3.689 0.981 1.00 0.18 H new ATOM 609 N ALA A 45 0.991 7.920 3.205 1.00 0.15 N ATOM 610 CA ALA A 45 1.296 9.265 3.634 1.00 0.15 C ATOM 611 C ALA A 45 2.803 9.532 3.530 1.00 0.15 C ATOM 612 O ALA A 45 3.240 10.668 3.358 1.00 0.18 O ATOM 613 CB ALA A 45 0.775 9.451 5.051 1.00 0.18 C ATOM 0 H ALA A 45 0.608 7.325 3.940 1.00 0.15 H new ATOM 0 HA ALA A 45 0.806 9.991 2.986 1.00 0.15 H new ATOM 0 HB1 ALA A 45 0.997 10.463 5.391 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.303 9.292 5.066 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.257 8.732 5.713 1.00 0.18 H new ATOM 619 N LYS A 46 3.585 8.456 3.612 1.00 0.15 N ATOM 620 CA LYS A 46 5.029 8.508 3.440 1.00 0.15 C ATOM 621 C LYS A 46 5.417 8.349 1.979 1.00 0.13 C ATOM 622 O LYS A 46 6.433 8.873 1.532 1.00 0.13 O ATOM 623 CB LYS A 46 5.659 7.381 4.229 1.00 0.16 C ATOM 624 CG LYS A 46 5.527 7.525 5.723 1.00 0.20 C ATOM 625 CD LYS A 46 6.063 6.298 6.426 1.00 0.22 C ATOM 626 CE LYS A 46 5.661 6.280 7.879 1.00 0.30 C ATOM 627 NZ LYS A 46 6.218 7.437 8.633 1.00 0.36 N ATOM 0 H LYS A 46 3.228 7.519 3.801 1.00 0.15 H new ATOM 0 HA LYS A 46 5.380 9.478 3.792 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.202 6.439 3.924 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.717 7.320 3.973 1.00 0.16 H new ATOM 0 HG2 LYS A 46 6.070 8.409 6.058 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.480 7.674 5.988 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.690 5.401 5.932 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.150 6.277 6.347 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.574 6.290 7.953 1.00 0.30 H new ATOM 0 HE3 LYS A 46 6.003 5.352 8.337 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 6.001 7.329 9.644 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.249 7.473 8.502 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.793 8.318 8.280 1.00 0.36 H new ATOM 641 N LEU A 47 4.608 7.597 1.253 1.00 0.13 N ATOM 642 CA LEU A 47 4.869 7.294 -0.139 1.00 0.11 C ATOM 643 C LEU A 47 4.550 8.475 -1.044 1.00 0.12 C ATOM 644 O LEU A 47 4.892 8.466 -2.222 1.00 0.14 O ATOM 645 CB LEU A 47 4.053 6.073 -0.551 1.00 0.09 C ATOM 646 CG LEU A 47 4.574 4.747 -0.011 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.700 3.595 -0.478 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.019 4.538 -0.432 1.00 0.11 C ATOM 0 H LEU A 47 3.751 7.180 1.615 1.00 0.13 H new ATOM 0 HA LEU A 47 5.932 7.082 -0.250 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.026 6.209 -0.213 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.026 6.021 -1.639 1.00 0.09 H new ATOM 0 HG LEU A 47 4.535 4.776 1.078 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.090 2.658 -0.081 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.681 3.744 -0.121 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.701 3.556 -1.567 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.378 3.587 -0.039 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.083 4.529 -1.520 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.633 5.348 -0.039 1.00 0.11 H new ATOM 660 N ALA A 48 3.923 9.493 -0.468 1.00 0.12 N ATOM 661 CA ALA A 48 3.505 10.687 -1.199 1.00 0.14 C ATOM 662 C ALA A 48 4.599 11.261 -2.109 1.00 0.15 C ATOM 663 O ALA A 48 4.362 11.456 -3.304 1.00 0.19 O ATOM 664 CB ALA A 48 3.021 11.749 -0.228 1.00 0.16 C ATOM 0 H ALA A 48 3.688 9.516 0.524 1.00 0.12 H new ATOM 0 HA ALA A 48 2.690 10.380 -1.854 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.712 12.635 -0.782 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.175 11.363 0.341 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.828 12.012 0.455 1.00 0.16 H new ATOM 670 N PRO A 49 5.814 11.533 -1.582 1.00 0.15 N ATOM 671 CA PRO A 49 6.901 12.112 -2.375 1.00 0.19 C ATOM 672 C PRO A 49 7.394 11.158 -3.456 1.00 0.21 C ATOM 673 O PRO A 49 7.970 11.567 -4.464 1.00 0.28 O ATOM 674 CB PRO A 49 8.004 12.351 -1.338 1.00 0.21 C ATOM 675 CG PRO A 49 7.301 12.354 -0.033 1.00 0.37 C ATOM 676 CD PRO A 49 6.249 11.318 -0.192 1.00 0.14 C ATOM 0 HA PRO A 49 6.588 13.012 -2.904 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.761 11.568 -1.378 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.515 13.298 -1.515 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.978 12.113 0.786 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.870 13.331 0.186 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.640 10.312 -0.038 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.432 11.454 0.517 1.00 0.14 H new ATOM 684 N TYR A 50 7.141 9.882 -3.239 1.00 0.21 N ATOM 685 CA TYR A 50 7.634 8.834 -4.112 1.00 0.25 C ATOM 686 C TYR A 50 6.567 8.418 -5.105 1.00 0.27 C ATOM 687 O TYR A 50 6.744 7.464 -5.861 1.00 0.33 O ATOM 688 CB TYR A 50 8.073 7.646 -3.269 1.00 0.26 C ATOM 689 CG TYR A 50 9.018 8.047 -2.166 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.324 8.400 -2.454 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.615 8.039 -0.838 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.211 8.736 -1.448 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.490 8.379 0.174 1.00 0.30 C ATOM 694 CZ TYR A 50 10.731 8.842 -0.130 1.00 0.36 C ATOM 695 OH TYR A 50 11.665 9.054 0.872 1.00 0.42 O ATOM 0 H TYR A 50 6.588 9.542 -2.452 1.00 0.21 H new ATOM 0 HA TYR A 50 8.487 9.210 -4.678 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.195 7.166 -2.836 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.557 6.908 -3.909 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.656 8.413 -3.482 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.600 7.762 -0.592 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.253 8.914 -1.670 1.00 0.39 H new ATOM 0 HE2 TYR A 50 9.189 8.277 1.206 1.00 0.30 H new ATOM 0 HH TYR A 50 11.209 9.110 1.738 1.00 0.42 H new ATOM 705 N MET A 51 5.457 9.134 -5.096 1.00 0.28 N ATOM 706 CA MET A 51 4.395 8.875 -6.043 1.00 0.35 C ATOM 707 C MET A 51 4.506 9.795 -7.238 1.00 0.54 C ATOM 708 O MET A 51 4.978 10.931 -7.139 1.00 0.51 O ATOM 709 CB MET A 51 3.016 9.048 -5.413 1.00 0.29 C ATOM 710 CG MET A 51 2.734 8.091 -4.279 1.00 0.15 C ATOM 711 SD MET A 51 2.897 6.372 -4.751 1.00 0.26 S ATOM 712 CE MET A 51 1.512 6.176 -5.842 1.00 0.25 C ATOM 0 H MET A 51 5.271 9.896 -4.444 1.00 0.28 H new ATOM 0 HA MET A 51 4.505 7.839 -6.362 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.922 10.070 -5.045 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.257 8.916 -6.184 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.417 8.302 -3.456 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.724 8.265 -3.908 1.00 0.15 H new ATOM 0 HE1 MET A 51 0.942 5.293 -5.552 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.873 7.057 -5.781 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.869 6.057 -6.865 1.00 0.25 H new ATOM 722 N SER A 52 4.070 9.282 -8.357 1.00 0.90 N ATOM 723 CA SER A 52 3.984 10.052 -9.584 1.00 1.14 C ATOM 724 C SER A 52 2.632 9.792 -10.227 1.00 0.98 C ATOM 725 O SER A 52 2.173 10.531 -11.100 1.00 1.19 O ATOM 726 CB SER A 52 5.128 9.692 -10.531 1.00 1.43 C ATOM 727 OG SER A 52 6.385 9.878 -9.896 1.00 2.32 O ATOM 0 H SER A 52 3.761 8.314 -8.451 1.00 0.90 H new ATOM 0 HA SER A 52 4.077 11.115 -9.360 1.00 1.14 H new ATOM 0 HB2 SER A 52 5.028 8.655 -10.852 1.00 1.43 H new ATOM 0 HB3 SER A 52 5.073 10.310 -11.427 1.00 1.43 H new ATOM 0 HG SER A 52 7.104 9.641 -10.518 1.00 2.32 H new ATOM 733 N LYS A 53 2.018 8.712 -9.777 1.00 0.79 N ATOM 734 CA LYS A 53 0.621 8.450 -9.972 1.00 0.81 C ATOM 735 C LYS A 53 -0.191 9.573 -9.323 1.00 0.98 C ATOM 736 O LYS A 53 0.388 10.400 -8.627 1.00 1.91 O ATOM 737 CB LYS A 53 0.371 7.089 -9.319 1.00 0.99 C ATOM 738 CG LYS A 53 -1.067 6.696 -9.134 1.00 0.82 C ATOM 739 CD LYS A 53 -1.580 7.054 -7.746 1.00 0.69 C ATOM 740 CE LYS A 53 -2.977 6.497 -7.510 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.818 6.533 -8.739 1.00 1.65 N ATOM 0 H LYS A 53 2.498 7.980 -9.254 1.00 0.79 H new ATOM 0 HA LYS A 53 0.324 8.421 -11.020 1.00 0.81 H new ATOM 0 HB2 LYS A 53 0.860 6.324 -9.923 1.00 0.99 H new ATOM 0 HB3 LYS A 53 0.856 7.083 -8.343 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -1.679 7.193 -9.887 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -1.174 5.623 -9.295 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.898 6.662 -6.992 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -1.594 8.138 -7.630 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -2.900 5.469 -7.156 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -3.465 7.070 -6.722 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.821 6.594 -8.472 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -3.561 7.363 -9.311 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -3.659 5.668 -9.294 1.00 1.65 H new ATOM 755 N ASN A 54 -1.499 9.621 -9.591 1.00 0.79 N ATOM 756 CA ASN A 54 -2.424 10.563 -8.939 1.00 0.77 C ATOM 757 C ASN A 54 -2.105 10.743 -7.469 1.00 0.93 C ATOM 758 O ASN A 54 -2.573 9.999 -6.604 1.00 1.79 O ATOM 759 CB ASN A 54 -3.834 10.052 -9.064 1.00 0.75 C ATOM 760 CG ASN A 54 -4.881 11.031 -8.571 1.00 1.15 C ATOM 761 OD1 ASN A 54 -4.704 12.247 -8.647 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.991 10.506 -8.079 1.00 1.22 N ATOM 0 H ASN A 54 -1.951 9.007 -10.268 1.00 0.79 H new ATOM 0 HA ASN A 54 -2.314 11.527 -9.437 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -4.034 9.815 -10.109 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.926 9.122 -8.503 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -6.739 11.114 -7.746 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -6.099 9.493 -8.033 1.00 1.22 H new ATOM 769 N ALA A 55 -1.285 11.725 -7.230 1.00 0.45 N ATOM 770 CA ALA A 55 -0.759 12.014 -5.912 1.00 0.38 C ATOM 771 C ALA A 55 -0.031 13.358 -5.879 1.00 0.49 C ATOM 772 O ALA A 55 -0.064 14.107 -6.857 1.00 0.72 O ATOM 773 CB ALA A 55 0.199 10.909 -5.547 1.00 0.31 C ATOM 0 H ALA A 55 -0.953 12.363 -7.953 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.583 12.073 -5.201 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.613 11.099 -4.557 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.330 9.956 -5.543 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.007 10.872 -6.277 1.00 0.31 H new ATOM 779 N LYS A 56 0.608 13.648 -4.740 1.00 0.48 N ATOM 780 CA LYS A 56 1.462 14.827 -4.579 1.00 0.59 C ATOM 781 C LYS A 56 2.031 14.866 -3.157 1.00 0.45 C ATOM 782 O LYS A 56 3.154 14.424 -2.920 1.00 0.50 O ATOM 783 CB LYS A 56 0.707 16.127 -4.884 1.00 0.79 C ATOM 784 CG LYS A 56 1.586 17.377 -4.906 1.00 1.43 C ATOM 785 CD LYS A 56 2.545 17.388 -6.094 1.00 1.46 C ATOM 786 CE LYS A 56 3.908 16.804 -5.743 1.00 1.71 C ATOM 787 NZ LYS A 56 4.793 16.703 -6.935 1.00 2.30 N ATOM 0 H LYS A 56 0.546 13.069 -3.902 1.00 0.48 H new ATOM 0 HA LYS A 56 2.278 14.748 -5.297 1.00 0.59 H new ATOM 0 HB2 LYS A 56 0.213 16.028 -5.851 1.00 0.79 H new ATOM 0 HB3 LYS A 56 -0.076 16.262 -4.138 1.00 0.79 H new ATOM 0 HG2 LYS A 56 0.953 18.263 -4.944 1.00 1.43 H new ATOM 0 HG3 LYS A 56 2.158 17.433 -3.980 1.00 1.43 H new ATOM 0 HD2 LYS A 56 2.109 16.819 -6.915 1.00 1.46 H new ATOM 0 HD3 LYS A 56 2.671 18.412 -6.447 1.00 1.46 H new ATOM 0 HE2 LYS A 56 4.386 17.428 -4.988 1.00 1.71 H new ATOM 0 HE3 LYS A 56 3.777 15.815 -5.304 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 5.710 16.301 -6.653 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 4.349 16.087 -7.646 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 4.940 17.650 -7.340 1.00 2.30 H new ATOM 801 N ASN A 57 1.258 15.391 -2.213 1.00 0.36 N ATOM 802 CA ASN A 57 1.623 15.324 -0.808 1.00 0.26 C ATOM 803 C ASN A 57 0.898 14.165 -0.176 1.00 0.22 C ATOM 804 O ASN A 57 0.280 13.372 -0.880 1.00 0.24 O ATOM 805 CB ASN A 57 1.270 16.612 -0.062 1.00 0.31 C ATOM 806 CG ASN A 57 2.120 17.791 -0.483 1.00 0.35 C ATOM 807 OD1 ASN A 57 1.752 18.552 -1.379 1.00 1.02 O ATOM 808 ND2 ASN A 57 3.270 17.946 0.151 1.00 1.32 N ATOM 0 H ASN A 57 0.375 15.867 -2.398 1.00 0.36 H new ATOM 0 HA ASN A 57 2.703 15.191 -0.741 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.220 16.849 -0.234 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.389 16.449 1.009 1.00 0.31 H new ATOM 0 HD21 ASN A 57 3.889 18.718 -0.097 1.00 1.32 H new ATOM 0 HD22 ASN A 57 3.538 17.294 0.888 1.00 1.32 H new ATOM 815 N GLU A 58 0.962 14.069 1.136 1.00 0.23 N ATOM 816 CA GLU A 58 0.293 12.994 1.848 1.00 0.23 C ATOM 817 C GLU A 58 -1.210 13.067 1.592 1.00 0.30 C ATOM 818 O GLU A 58 -1.867 12.056 1.345 1.00 0.36 O ATOM 819 CB GLU A 58 0.631 13.063 3.338 1.00 0.27 C ATOM 820 CG GLU A 58 -0.570 13.211 4.234 1.00 0.36 C ATOM 821 CD GLU A 58 -0.204 13.378 5.695 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.763 14.285 6.347 1.00 0.68 O ATOM 823 OE2 GLU A 58 0.652 12.618 6.198 1.00 0.59 O ATOM 0 H GLU A 58 1.470 14.721 1.733 1.00 0.23 H new ATOM 0 HA GLU A 58 0.644 12.029 1.482 1.00 0.23 H new ATOM 0 HB2 GLU A 58 1.172 12.159 3.619 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.304 13.903 3.509 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.153 14.073 3.911 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.209 12.335 4.123 1.00 0.36 H new ATOM 830 N ASP A 59 -1.726 14.281 1.601 1.00 0.37 N ATOM 831 CA ASP A 59 -3.115 14.532 1.258 1.00 0.48 C ATOM 832 C ASP A 59 -3.339 14.287 -0.231 1.00 0.41 C ATOM 833 O ASP A 59 -4.389 13.799 -0.646 1.00 0.50 O ATOM 834 CB ASP A 59 -3.480 15.966 1.631 1.00 0.63 C ATOM 835 CG ASP A 59 -4.848 16.383 1.129 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.860 16.054 1.789 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.920 17.030 0.066 1.00 0.55 O ATOM 0 H ASP A 59 -1.198 15.119 1.845 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.757 13.850 1.816 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.450 16.071 2.715 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.729 16.643 1.224 1.00 0.63 H new ATOM 842 N GLY A 60 -2.320 14.603 -1.022 1.00 0.35 N ATOM 843 CA GLY A 60 -2.393 14.431 -2.460 1.00 0.41 C ATOM 844 C GLY A 60 -2.467 12.981 -2.877 1.00 0.43 C ATOM 845 O GLY A 60 -3.108 12.655 -3.870 1.00 0.83 O ATOM 0 H GLY A 60 -1.434 14.980 -0.687 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.268 14.958 -2.840 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -1.519 14.892 -2.921 1.00 0.41 H new ATOM 849 N ILE A 61 -1.799 12.111 -2.137 1.00 0.25 N ATOM 850 CA ILE A 61 -1.758 10.706 -2.482 1.00 0.20 C ATOM 851 C ILE A 61 -2.890 9.933 -1.835 1.00 0.15 C ATOM 852 O ILE A 61 -3.700 9.310 -2.509 1.00 0.17 O ATOM 853 CB ILE A 61 -0.399 10.070 -2.092 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.442 8.563 -2.268 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.007 10.404 -0.660 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.967 8.126 -3.625 1.00 0.20 C ATOM 0 H ILE A 61 -1.279 12.356 -1.294 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.878 10.646 -3.564 1.00 0.20 H new ATOM 0 HB ILE A 61 0.353 10.492 -2.758 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.561 8.160 -2.128 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -1.070 8.132 -1.488 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.951 9.939 -0.427 1.00 0.23 H new ATOM 0 HG22 ILE A 61 0.078 11.485 -0.549 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.768 10.027 0.023 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.970 7.037 -3.681 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.982 8.499 -3.760 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.326 8.528 -4.410 1.00 0.20 H new ATOM 868 N VAL A 62 -2.939 10.004 -0.535 1.00 0.14 N ATOM 869 CA VAL A 62 -3.809 9.153 0.247 1.00 0.13 C ATOM 870 C VAL A 62 -5.269 9.414 -0.060 1.00 0.19 C ATOM 871 O VAL A 62 -6.034 8.485 -0.287 1.00 0.24 O ATOM 872 CB VAL A 62 -3.514 9.334 1.739 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.425 8.494 2.595 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.083 8.959 2.002 1.00 0.12 C ATOM 0 H VAL A 62 -2.379 10.652 0.019 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.609 8.117 -0.025 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.689 10.378 1.999 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.183 8.651 3.646 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.461 8.781 2.414 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.291 7.442 2.345 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -1.863 9.085 3.062 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -1.921 7.919 1.719 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.425 9.601 1.416 1.00 0.12 H new ATOM 884 N ASN A 63 -5.643 10.677 -0.116 1.00 0.23 N ATOM 885 CA ASN A 63 -7.020 11.043 -0.434 1.00 0.28 C ATOM 886 C ASN A 63 -7.354 10.664 -1.881 1.00 0.26 C ATOM 887 O ASN A 63 -8.517 10.509 -2.249 1.00 0.32 O ATOM 888 CB ASN A 63 -7.234 12.539 -0.206 1.00 0.39 C ATOM 889 CG ASN A 63 -8.686 12.958 -0.358 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.137 13.301 -1.454 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.427 12.941 0.738 1.00 1.20 N ATOM 0 H ASN A 63 -5.021 11.467 0.053 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.690 10.493 0.227 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -6.888 12.802 0.793 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.623 13.100 -0.913 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.408 13.218 0.695 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -9.017 12.651 1.626 1.00 1.20 H new ATOM 898 N SER A 64 -6.312 10.505 -2.684 1.00 0.25 N ATOM 899 CA SER A 64 -6.445 10.093 -4.079 1.00 0.30 C ATOM 900 C SER A 64 -6.632 8.583 -4.197 1.00 0.28 C ATOM 901 O SER A 64 -7.220 8.087 -5.159 1.00 0.39 O ATOM 902 CB SER A 64 -5.197 10.524 -4.848 1.00 0.38 C ATOM 903 OG SER A 64 -5.241 11.907 -5.155 1.00 1.17 O ATOM 0 H SER A 64 -5.348 10.658 -2.389 1.00 0.25 H new ATOM 0 HA SER A 64 -7.329 10.572 -4.500 1.00 0.30 H new ATOM 0 HB2 SER A 64 -4.308 10.308 -4.256 1.00 0.38 H new ATOM 0 HB3 SER A 64 -5.115 9.946 -5.769 1.00 0.38 H new ATOM 0 HG SER A 64 -4.571 12.382 -4.621 1.00 1.17 H new ATOM 909 N LEU A 65 -6.142 7.873 -3.202 1.00 0.21 N ATOM 910 CA LEU A 65 -6.142 6.420 -3.206 1.00 0.20 C ATOM 911 C LEU A 65 -7.415 5.846 -2.615 1.00 0.20 C ATOM 912 O LEU A 65 -8.163 6.545 -1.927 1.00 0.22 O ATOM 913 CB LEU A 65 -4.953 5.894 -2.422 1.00 0.21 C ATOM 914 CG LEU A 65 -3.600 6.221 -3.005 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.518 5.765 -2.058 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.441 5.547 -4.340 1.00 0.71 C ATOM 0 H LEU A 65 -5.731 8.286 -2.365 1.00 0.21 H new ATOM 0 HA LEU A 65 -6.077 6.105 -4.247 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -5.000 6.295 -1.409 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -5.043 4.811 -2.341 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.518 7.299 -3.146 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.541 6.002 -2.480 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.633 6.275 -1.101 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.597 4.688 -1.907 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.462 5.788 -4.755 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.527 4.468 -4.215 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -4.219 5.897 -5.019 1.00 0.71 H new ATOM 928 N ALA A 66 -7.661 4.576 -2.921 1.00 0.21 N ATOM 929 CA ALA A 66 -8.805 3.853 -2.390 1.00 0.21 C ATOM 930 C ALA A 66 -8.901 4.003 -0.889 1.00 0.17 C ATOM 931 O ALA A 66 -7.889 4.055 -0.188 1.00 0.15 O ATOM 932 CB ALA A 66 -8.721 2.376 -2.753 1.00 0.23 C ATOM 0 H ALA A 66 -7.072 4.022 -3.543 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.701 4.282 -2.838 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.586 1.852 -2.347 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.708 2.268 -3.838 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.809 1.950 -2.335 1.00 0.23 H new ATOM 938 N LYS A 67 -10.122 4.074 -0.403 1.00 0.21 N ATOM 939 CA LYS A 67 -10.365 4.255 1.010 1.00 0.22 C ATOM 940 C LYS A 67 -11.079 3.048 1.596 1.00 0.29 C ATOM 941 O LYS A 67 -11.998 2.497 0.986 1.00 0.38 O ATOM 942 CB LYS A 67 -11.175 5.528 1.259 1.00 0.26 C ATOM 943 CG LYS A 67 -10.445 6.818 0.893 1.00 0.26 C ATOM 944 CD LYS A 67 -8.992 6.771 1.336 1.00 0.35 C ATOM 945 CE LYS A 67 -8.352 8.151 1.422 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.021 9.027 2.422 1.00 0.20 N ATOM 0 H LYS A 67 -10.966 4.008 -0.971 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.401 4.356 1.508 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -12.101 5.473 0.687 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -11.453 5.568 2.312 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.495 6.974 -0.185 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.944 7.667 1.361 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.930 6.286 2.310 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.424 6.156 0.638 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -7.299 8.044 1.684 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -8.390 8.628 0.443 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.366 9.779 2.718 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.869 9.454 1.997 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -9.296 8.461 3.250 1.00 0.20 H new ATOM 960 N ASP A 68 -10.648 2.648 2.779 1.00 0.30 N ATOM 961 CA ASP A 68 -11.227 1.503 3.465 1.00 0.42 C ATOM 962 C ASP A 68 -12.439 1.970 4.269 1.00 0.49 C ATOM 963 O ASP A 68 -12.470 3.092 4.772 1.00 0.64 O ATOM 964 CB ASP A 68 -10.179 0.827 4.365 1.00 0.50 C ATOM 965 CG ASP A 68 -10.069 1.438 5.748 1.00 1.21 C ATOM 966 OD1 ASP A 68 -10.434 0.746 6.725 1.00 1.35 O ATOM 967 OD2 ASP A 68 -9.621 2.592 5.869 1.00 2.24 O ATOM 0 H ASP A 68 -9.892 3.103 3.290 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.552 0.760 2.737 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -10.427 -0.230 4.464 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.206 0.881 3.876 1.00 0.50 H new ATOM 972 N LYS A 69 -13.448 1.116 4.354 1.00 0.58 N ATOM 973 CA LYS A 69 -14.768 1.545 4.797 1.00 0.74 C ATOM 974 C LYS A 69 -14.923 1.556 6.315 1.00 0.70 C ATOM 975 O LYS A 69 -15.452 2.515 6.875 1.00 0.84 O ATOM 976 CB LYS A 69 -15.839 0.658 4.175 1.00 0.94 C ATOM 977 CG LYS A 69 -17.241 1.248 4.247 1.00 0.98 C ATOM 978 CD LYS A 69 -17.343 2.566 3.491 1.00 1.81 C ATOM 979 CE LYS A 69 -16.983 2.402 2.022 1.00 2.24 C ATOM 980 NZ LYS A 69 -16.961 3.703 1.305 1.00 3.13 N ATOM 0 H LYS A 69 -13.380 0.125 4.123 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.888 2.575 4.462 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.585 0.475 3.131 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.835 -0.309 4.679 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.956 0.536 3.834 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.515 1.406 5.290 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -18.357 2.956 3.576 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -16.680 3.300 3.948 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -16.006 1.926 1.939 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -17.703 1.737 1.545 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -16.711 3.546 0.308 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -17.900 4.146 1.361 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -16.256 4.329 1.744 1.00 3.13 H new ATOM 994 N SER A 70 -14.489 0.498 6.980 1.00 0.59 N ATOM 995 CA SER A 70 -14.747 0.364 8.409 1.00 0.65 C ATOM 996 C SER A 70 -13.625 0.937 9.273 1.00 0.70 C ATOM 997 O SER A 70 -13.875 1.455 10.361 1.00 0.87 O ATOM 998 CB SER A 70 -14.990 -1.102 8.763 1.00 0.65 C ATOM 999 OG SER A 70 -14.043 -1.941 8.127 1.00 1.13 O ATOM 0 H SER A 70 -13.964 -0.271 6.564 1.00 0.59 H new ATOM 0 HA SER A 70 -15.641 0.949 8.626 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.930 -1.234 9.843 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.997 -1.391 8.462 1.00 0.65 H new ATOM 0 HG SER A 70 -14.489 -2.472 7.435 1.00 1.13 H new ATOM 1005 N GLY A 71 -12.393 0.859 8.787 1.00 0.62 N ATOM 1006 CA GLY A 71 -11.261 1.286 9.586 1.00 0.73 C ATOM 1007 C GLY A 71 -10.900 0.257 10.640 1.00 0.69 C ATOM 1008 O GLY A 71 -10.167 0.547 11.585 1.00 0.76 O ATOM 0 H GLY A 71 -12.158 0.509 7.858 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -10.402 1.460 8.937 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -11.493 2.235 10.068 1.00 0.73 H new ATOM 1012 N ASN A 72 -11.410 -0.954 10.459 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.284 -2.010 11.460 1.00 0.68 C ATOM 1014 C ASN A 72 -9.891 -2.641 11.456 1.00 0.62 C ATOM 1015 O ASN A 72 -9.453 -3.201 12.459 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.339 -3.093 11.201 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.303 -4.216 12.222 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -12.017 -3.997 13.398 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -12.573 -5.434 11.774 1.00 1.67 N ATOM 0 H ASN A 72 -11.920 -1.233 9.621 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.440 -1.558 12.439 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.329 -2.636 11.207 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -12.186 -3.510 10.206 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -12.548 -6.229 12.412 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -12.806 -5.576 10.791 1.00 1.67 H new ATOM 1026 N SER A 73 -9.185 -2.541 10.341 1.00 0.68 N ATOM 1027 CA SER A 73 -7.941 -3.280 10.183 1.00 0.70 C ATOM 1028 C SER A 73 -6.719 -2.443 10.558 1.00 0.61 C ATOM 1029 O SER A 73 -5.598 -2.953 10.578 1.00 0.64 O ATOM 1030 CB SER A 73 -7.813 -3.793 8.748 1.00 0.92 C ATOM 1031 OG SER A 73 -6.784 -4.761 8.636 1.00 1.74 O ATOM 0 H SER A 73 -9.446 -1.964 9.542 1.00 0.68 H new ATOM 0 HA SER A 73 -7.975 -4.126 10.870 1.00 0.70 H new ATOM 0 HB2 SER A 73 -8.760 -4.228 8.429 1.00 0.92 H new ATOM 0 HB3 SER A 73 -7.604 -2.958 8.079 1.00 0.92 H new ATOM 0 HG SER A 73 -6.019 -4.491 9.186 1.00 1.74 H new ATOM 1037 N SER A 74 -6.947 -1.166 10.864 1.00 0.56 N ATOM 1038 CA SER A 74 -5.869 -0.244 11.209 1.00 0.56 C ATOM 1039 C SER A 74 -4.867 -0.144 10.058 1.00 0.57 C ATOM 1040 O SER A 74 -3.682 -0.439 10.214 1.00 1.03 O ATOM 1041 CB SER A 74 -5.180 -0.697 12.496 1.00 0.67 C ATOM 1042 OG SER A 74 -6.125 -0.895 13.541 1.00 1.30 O ATOM 0 H SER A 74 -7.876 -0.746 10.879 1.00 0.56 H new ATOM 0 HA SER A 74 -6.291 0.747 11.378 1.00 0.56 H new ATOM 0 HB2 SER A 74 -4.635 -1.623 12.314 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.447 0.049 12.801 1.00 0.67 H new ATOM 0 HG SER A 74 -5.659 -1.186 14.353 1.00 1.30 H new ATOM 1048 N THR A 75 -5.369 0.296 8.910 1.00 0.33 N ATOM 1049 CA THR A 75 -4.608 0.334 7.663 1.00 0.26 C ATOM 1050 C THR A 75 -3.431 1.314 7.723 1.00 0.25 C ATOM 1051 O THR A 75 -2.599 1.342 6.815 1.00 0.24 O ATOM 1052 CB THR A 75 -5.548 0.702 6.493 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.906 0.489 5.232 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.988 2.153 6.594 1.00 0.28 C ATOM 0 H THR A 75 -6.325 0.640 8.816 1.00 0.33 H new ATOM 0 HA THR A 75 -4.187 -0.659 7.505 1.00 0.26 H new ATOM 0 HB THR A 75 -6.423 0.055 6.559 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.150 1.210 4.615 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.649 2.392 5.761 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.518 2.308 7.534 1.00 0.28 H new ATOM 0 HG23 THR A 75 -5.113 2.802 6.560 1.00 0.28 H new ATOM 1062 N SER A 76 -3.365 2.112 8.791 1.00 0.27 N ATOM 1063 CA SER A 76 -2.283 3.078 8.996 1.00 0.29 C ATOM 1064 C SER A 76 -2.412 4.263 8.033 1.00 0.24 C ATOM 1065 O SER A 76 -2.363 5.420 8.455 1.00 0.29 O ATOM 1066 CB SER A 76 -0.910 2.403 8.855 1.00 0.35 C ATOM 1067 OG SER A 76 0.137 3.267 9.261 1.00 0.94 O ATOM 0 H SER A 76 -4.060 2.107 9.538 1.00 0.27 H new ATOM 0 HA SER A 76 -2.367 3.463 10.012 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.887 1.494 9.456 1.00 0.35 H new ATOM 0 HB3 SER A 76 -0.755 2.104 7.818 1.00 0.35 H new ATOM 0 HG SER A 76 0.997 2.808 9.161 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.594 3.974 6.748 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.822 5.019 5.760 1.00 0.15 C ATOM 1075 C ALA A 77 -4.124 5.718 6.066 1.00 0.16 C ATOM 1076 O ALA A 77 -5.149 5.063 6.237 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.873 4.446 4.356 1.00 0.14 C ATOM 0 H ALA A 77 -2.588 3.027 6.369 1.00 0.17 H new ATOM 0 HA ALA A 77 -1.994 5.726 5.809 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.044 5.250 3.641 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.927 3.954 4.129 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.684 3.721 4.288 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.103 7.047 6.168 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.295 7.818 6.521 1.00 0.16 C ATOM 1085 C PRO A 78 -6.500 7.471 5.639 1.00 0.16 C ATOM 1086 O PRO A 78 -6.595 7.887 4.487 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.832 9.256 6.287 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.371 9.216 6.535 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.917 7.904 5.981 1.00 0.17 C ATOM 0 HA PRO A 78 -5.642 7.622 7.536 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.054 9.585 5.272 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.331 9.950 6.963 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.865 10.047 6.044 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.150 9.292 7.600 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.636 7.983 4.931 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.049 7.517 6.515 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.435 6.733 6.226 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.640 6.299 5.530 1.00 0.22 C ATOM 1099 C GLY A 79 -8.398 5.391 4.326 1.00 0.17 C ATOM 1100 O GLY A 79 -9.353 4.925 3.715 1.00 0.20 O ATOM 0 H GLY A 79 -7.379 6.419 7.195 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.282 5.775 6.238 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.187 7.181 5.197 1.00 0.22 H new ATOM 1104 N SER A 80 -7.145 5.123 3.986 1.00 0.17 N ATOM 1105 CA SER A 80 -6.814 4.508 2.705 1.00 0.14 C ATOM 1106 C SER A 80 -6.624 3.006 2.768 1.00 0.21 C ATOM 1107 O SER A 80 -6.043 2.460 3.695 1.00 0.49 O ATOM 1108 CB SER A 80 -5.558 5.144 2.151 1.00 0.18 C ATOM 1109 OG SER A 80 -5.845 5.966 1.035 1.00 0.58 O ATOM 0 H SER A 80 -6.339 5.321 4.579 1.00 0.17 H new ATOM 0 HA SER A 80 -7.671 4.684 2.054 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.076 5.738 2.928 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.852 4.366 1.860 1.00 0.18 H new ATOM 0 HG SER A 80 -6.401 5.471 0.398 1.00 0.58 H new ATOM 1115 N ALA A 81 -7.071 2.371 1.700 1.00 0.14 N ATOM 1116 CA ALA A 81 -7.015 0.934 1.538 1.00 0.17 C ATOM 1117 C ALA A 81 -5.629 0.442 1.148 1.00 0.17 C ATOM 1118 O ALA A 81 -5.489 -0.410 0.270 1.00 0.21 O ATOM 1119 CB ALA A 81 -8.010 0.529 0.475 1.00 0.21 C ATOM 0 H ALA A 81 -7.492 2.852 0.905 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.257 0.479 2.498 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.980 -0.552 0.341 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -9.012 0.829 0.782 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.757 1.018 -0.466 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.599 0.991 1.761 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.264 0.479 1.570 1.00 0.19 C ATOM 1127 C HIS A 82 -2.504 0.458 2.885 1.00 0.19 C ATOM 1128 O HIS A 82 -2.390 1.477 3.562 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.498 1.302 0.537 1.00 0.19 C ATOM 1130 CG HIS A 82 -3.052 1.252 -0.860 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.769 0.246 -1.760 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.878 2.109 -1.510 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -3.400 0.490 -2.899 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -4.080 1.612 -2.770 1.00 0.88 N ATOM 0 H HIS A 82 -4.664 1.789 2.393 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.353 -0.541 1.197 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.478 2.341 0.866 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.465 0.955 0.514 1.00 0.19 H new ATOM 0 HD2 HIS A 82 -4.300 3.018 -1.107 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -3.363 -0.127 -3.785 1.00 0.88 H new ATOM 0 HE2 HIS A 82 -4.661 2.040 -3.491 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.971 -0.706 3.218 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.209 -0.896 4.441 1.00 0.25 C ATOM 1145 C GLN A 83 -0.105 -1.893 4.176 1.00 0.22 C ATOM 1146 O GLN A 83 -0.365 -3.035 3.848 1.00 0.20 O ATOM 1147 CB GLN A 83 -2.119 -1.436 5.543 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.402 -1.736 6.849 1.00 0.74 C ATOM 1149 CD GLN A 83 -2.226 -2.614 7.769 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -3.457 -2.594 7.736 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -1.552 -3.398 8.595 1.00 2.09 N ATOM 0 H GLN A 83 -2.055 -1.547 2.647 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.788 0.058 4.760 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.910 -0.711 5.734 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.600 -2.347 5.188 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -0.453 -2.228 6.635 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -1.169 -0.800 7.356 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -0.532 -3.385 8.592 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -2.052 -4.015 9.235 1.00 2.09 H new ATOM 1160 N ILE A 84 1.119 -1.474 4.332 1.00 0.23 N ATOM 1161 CA ILE A 84 2.236 -2.324 4.028 1.00 0.21 C ATOM 1162 C ILE A 84 2.712 -3.120 5.238 1.00 0.25 C ATOM 1163 O ILE A 84 2.868 -2.580 6.334 1.00 0.29 O ATOM 1164 CB ILE A 84 3.344 -1.456 3.442 1.00 0.24 C ATOM 1165 CG1 ILE A 84 2.990 -1.194 1.988 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.715 -2.097 3.587 1.00 0.29 C ATOM 1167 CD1 ILE A 84 2.971 0.268 1.617 1.00 0.20 C ATOM 0 H ILE A 84 1.370 -0.545 4.669 1.00 0.23 H new ATOM 0 HA ILE A 84 1.929 -3.074 3.299 1.00 0.21 H new ATOM 0 HB ILE A 84 3.411 -0.516 3.990 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.707 -1.711 1.351 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.010 -1.624 1.780 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.471 -1.441 3.155 1.00 0.29 H new ATOM 0 HG22 ILE A 84 4.933 -2.255 4.643 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.726 -3.055 3.067 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.710 0.373 0.564 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.233 0.789 2.227 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.956 0.701 1.792 1.00 0.20 H new ATOM 1179 N ASP A 85 2.924 -4.412 5.017 1.00 0.28 N ATOM 1180 CA ASP A 85 3.407 -5.315 6.053 1.00 0.32 C ATOM 1181 C ASP A 85 4.917 -5.265 6.098 1.00 0.38 C ATOM 1182 O ASP A 85 5.576 -5.679 5.154 1.00 0.37 O ATOM 1183 CB ASP A 85 2.980 -6.755 5.760 1.00 0.27 C ATOM 1184 CG ASP A 85 3.253 -7.688 6.922 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.300 -8.032 7.650 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.419 -8.086 7.107 1.00 0.54 O ATOM 0 H ASP A 85 2.766 -4.862 4.115 1.00 0.28 H new ATOM 0 HA ASP A 85 2.983 -5.000 7.006 1.00 0.32 H new ATOM 0 HB2 ASP A 85 1.916 -6.774 5.525 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.508 -7.115 4.877 1.00 0.27 H new ATOM 1191 N THR A 86 5.468 -4.759 7.175 1.00 0.49 N ATOM 1192 CA THR A 86 6.901 -4.611 7.273 1.00 0.58 C ATOM 1193 C THR A 86 7.573 -5.872 7.796 1.00 0.57 C ATOM 1194 O THR A 86 8.757 -6.103 7.551 1.00 0.63 O ATOM 1195 CB THR A 86 7.238 -3.420 8.158 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.589 -3.549 9.431 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.781 -2.156 7.468 1.00 0.82 C ATOM 0 H THR A 86 4.948 -4.443 7.994 1.00 0.49 H new ATOM 0 HA THR A 86 7.287 -4.437 6.268 1.00 0.58 H new ATOM 0 HB THR A 86 8.314 -3.380 8.325 1.00 0.75 H new ATOM 0 HG1 THR A 86 6.814 -2.778 9.993 1.00 0.81 H new ATOM 0 HG21 THR A 86 7.017 -1.295 8.093 1.00 0.82 H new ATOM 0 HG22 THR A 86 7.291 -2.060 6.510 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.704 -2.200 7.303 1.00 0.82 H new ATOM 1205 N THR A 87 6.808 -6.685 8.506 1.00 0.52 N ATOM 1206 CA THR A 87 7.308 -7.939 9.034 1.00 0.54 C ATOM 1207 C THR A 87 7.733 -8.869 7.902 1.00 0.50 C ATOM 1208 O THR A 87 8.853 -9.380 7.881 1.00 0.54 O ATOM 1209 CB THR A 87 6.230 -8.627 9.885 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.904 -7.807 11.013 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.698 -9.991 10.350 1.00 0.58 C ATOM 0 H THR A 87 5.831 -6.495 8.730 1.00 0.52 H new ATOM 0 HA THR A 87 8.175 -7.722 9.658 1.00 0.54 H new ATOM 0 HB THR A 87 5.340 -8.764 9.271 1.00 0.58 H new ATOM 0 HG1 THR A 87 5.215 -8.250 11.551 1.00 0.71 H new ATOM 0 HG21 THR A 87 5.918 -10.458 10.951 1.00 0.58 H new ATOM 0 HG22 THR A 87 6.913 -10.617 9.484 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.601 -9.881 10.951 1.00 0.58 H new ATOM 1219 N ASN A 88 6.832 -9.078 6.959 1.00 0.47 N ATOM 1220 CA ASN A 88 7.106 -9.935 5.820 1.00 0.53 C ATOM 1221 C ASN A 88 7.565 -9.102 4.633 1.00 0.52 C ATOM 1222 O ASN A 88 8.037 -9.633 3.630 1.00 0.64 O ATOM 1223 CB ASN A 88 5.863 -10.744 5.456 1.00 0.59 C ATOM 1224 CG ASN A 88 5.433 -11.702 6.555 1.00 0.76 C ATOM 1225 OD1 ASN A 88 4.244 -11.972 6.728 1.00 1.26 O ATOM 1226 ND2 ASN A 88 6.390 -12.238 7.300 1.00 1.50 N ATOM 0 H ASN A 88 5.900 -8.664 6.960 1.00 0.47 H new ATOM 0 HA ASN A 88 7.904 -10.628 6.087 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.043 -10.060 5.237 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.059 -11.310 4.545 1.00 0.59 H new ATOM 0 HD21 ASN A 88 6.151 -12.895 8.042 1.00 1.50 H new ATOM 0 HD22 ASN A 88 7.366 -11.993 7.131 1.00 1.50 H new ATOM 1233 N HIS A 89 7.385 -7.786 4.766 1.00 0.47 N ATOM 1234 CA HIS A 89 7.908 -6.804 3.814 1.00 0.53 C ATOM 1235 C HIS A 89 7.108 -6.821 2.519 1.00 0.43 C ATOM 1236 O HIS A 89 7.653 -6.847 1.415 1.00 0.45 O ATOM 1237 CB HIS A 89 9.401 -7.033 3.567 1.00 0.72 C ATOM 1238 CG HIS A 89 10.271 -6.192 4.450 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.401 -6.669 5.075 1.00 1.28 N ATOM 1240 CD2 HIS A 89 10.166 -4.890 4.813 1.00 0.96 C ATOM 1241 CE1 HIS A 89 11.953 -5.701 5.783 1.00 1.48 C ATOM 1242 NE2 HIS A 89 11.225 -4.611 5.641 1.00 1.26 N ATOM 0 H HIS A 89 6.870 -7.370 5.541 1.00 0.47 H new ATOM 0 HA HIS A 89 7.797 -5.810 4.247 1.00 0.53 H new ATOM 0 HB2 HIS A 89 9.634 -8.085 3.730 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.630 -6.814 2.524 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.393 -4.200 4.508 1.00 0.96 H new ATOM 0 HE1 HIS A 89 12.850 -5.787 6.378 1.00 1.48 H new ATOM 0 HE2 HIS A 89 11.417 -3.708 6.075 1.00 1.26 H new ATOM 1251 N LYS A 90 5.799 -6.779 2.692 1.00 0.35 N ATOM 1252 CA LYS A 90 4.854 -6.839 1.599 1.00 0.28 C ATOM 1253 C LYS A 90 4.084 -5.526 1.445 1.00 0.23 C ATOM 1254 O LYS A 90 3.817 -4.835 2.422 1.00 0.26 O ATOM 1255 CB LYS A 90 3.871 -7.964 1.888 1.00 0.30 C ATOM 1256 CG LYS A 90 4.366 -9.347 1.504 1.00 0.33 C ATOM 1257 CD LYS A 90 3.343 -10.413 1.865 1.00 0.32 C ATOM 1258 CE LYS A 90 3.006 -10.372 3.347 1.00 0.34 C ATOM 1259 NZ LYS A 90 1.990 -11.391 3.721 1.00 0.44 N ATOM 0 H LYS A 90 5.360 -6.701 3.609 1.00 0.35 H new ATOM 0 HA LYS A 90 5.398 -7.015 0.671 1.00 0.28 H new ATOM 0 HB2 LYS A 90 3.635 -7.959 2.952 1.00 0.30 H new ATOM 0 HB3 LYS A 90 2.942 -7.763 1.355 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.568 -9.380 0.433 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.307 -9.554 2.013 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.436 -10.264 1.279 1.00 0.32 H new ATOM 0 HD3 LYS A 90 3.732 -11.397 1.605 1.00 0.32 H new ATOM 0 HE2 LYS A 90 3.913 -10.536 3.929 1.00 0.34 H new ATOM 0 HE3 LYS A 90 2.636 -9.380 3.606 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 1.792 -11.326 4.740 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.114 -11.221 3.186 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 2.352 -12.340 3.499 1.00 0.44 H new ATOM 1273 N LEU A 91 3.707 -5.218 0.214 1.00 0.20 N ATOM 1274 CA LEU A 91 2.792 -4.118 -0.065 1.00 0.17 C ATOM 1275 C LEU A 91 1.397 -4.702 -0.035 1.00 0.14 C ATOM 1276 O LEU A 91 0.981 -5.384 -0.969 1.00 0.17 O ATOM 1277 CB LEU A 91 3.046 -3.513 -1.459 1.00 0.26 C ATOM 1278 CG LEU A 91 2.341 -2.182 -1.833 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.016 -1.970 -1.118 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.243 -1.000 -1.610 1.00 0.16 C ATOM 0 H LEU A 91 4.023 -5.719 -0.616 1.00 0.20 H new ATOM 0 HA LEU A 91 2.930 -3.325 0.670 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.120 -3.358 -1.562 1.00 0.26 H new ATOM 0 HB3 LEU A 91 2.759 -4.259 -2.200 1.00 0.26 H new ATOM 0 HG LEU A 91 2.115 -2.266 -2.896 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.582 -1.020 -1.430 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.333 -2.781 -1.370 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.182 -1.957 -0.041 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.717 -0.085 -1.882 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.531 -0.955 -0.560 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.136 -1.102 -2.227 1.00 0.16 H new ATOM 1292 N ILE A 92 0.698 -4.445 1.038 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.667 -4.862 1.178 1.00 0.16 C ATOM 1294 C ILE A 92 -1.586 -3.698 0.891 1.00 0.17 C ATOM 1295 O ILE A 92 -1.285 -2.549 1.214 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.922 -5.379 2.606 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.411 -6.802 2.763 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.389 -5.293 3.004 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.066 -6.881 2.999 1.00 0.22 C ATOM 0 H ILE A 92 1.064 -3.937 1.843 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.864 -5.666 0.469 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.368 -4.727 3.281 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.930 -7.277 3.595 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.659 -7.370 1.867 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.513 -5.670 4.019 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.718 -4.255 2.960 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.988 -5.893 2.318 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.363 -7.925 3.102 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.594 -6.435 2.156 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.318 -6.341 3.911 1.00 0.22 H new ATOM 1311 N SER A 93 -2.677 -3.979 0.239 1.00 0.20 N ATOM 1312 CA SER A 93 -3.730 -3.019 0.159 1.00 0.26 C ATOM 1313 C SER A 93 -4.852 -3.483 1.062 1.00 0.37 C ATOM 1314 O SER A 93 -5.458 -4.516 0.808 1.00 0.61 O ATOM 1315 CB SER A 93 -4.205 -2.866 -1.274 1.00 0.40 C ATOM 1316 OG SER A 93 -4.949 -3.988 -1.689 1.00 1.41 O ATOM 0 H SER A 93 -2.857 -4.861 -0.241 1.00 0.20 H new ATOM 0 HA SER A 93 -3.377 -2.040 0.484 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.817 -1.968 -1.363 1.00 0.40 H new ATOM 0 HB3 SER A 93 -3.346 -2.733 -1.932 1.00 0.40 H new ATOM 0 HG SER A 93 -5.614 -4.211 -1.005 1.00 1.41 H new ATOM 1322 N THR A 94 -5.115 -2.763 2.127 1.00 0.34 N ATOM 1323 CA THR A 94 -6.095 -3.226 3.068 1.00 0.38 C ATOM 1324 C THR A 94 -7.431 -2.578 2.799 1.00 0.42 C ATOM 1325 O THR A 94 -7.625 -1.392 3.045 1.00 0.49 O ATOM 1326 CB THR A 94 -5.674 -2.928 4.511 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.426 -3.566 4.808 1.00 0.45 O ATOM 1328 CG2 THR A 94 -6.741 -3.412 5.471 1.00 0.48 C ATOM 0 H THR A 94 -4.672 -1.873 2.357 1.00 0.34 H new ATOM 0 HA THR A 94 -6.177 -4.306 2.945 1.00 0.38 H new ATOM 0 HB THR A 94 -5.553 -1.851 4.624 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.254 -3.516 5.771 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.434 -3.197 6.495 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.680 -2.901 5.259 1.00 0.48 H new ATOM 0 HG23 THR A 94 -6.877 -4.487 5.352 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.358 -3.366 2.307 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.698 -2.886 2.108 1.00 0.50 C ATOM 1338 C PHE A 95 -10.571 -3.451 3.188 1.00 0.53 C ATOM 1339 O PHE A 95 -10.984 -4.600 3.094 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.253 -3.345 0.779 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.413 -2.508 0.312 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.696 -2.741 0.792 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.220 -1.475 -0.592 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.758 -1.959 0.377 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -12.279 -0.694 -1.011 1.00 1.13 C ATOM 1346 CZ PHE A 95 -13.549 -0.937 -0.526 1.00 1.23 C ATOM 0 H PHE A 95 -8.206 -4.338 2.039 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.680 -1.796 2.130 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.462 -3.313 0.029 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.571 -4.384 0.862 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.865 -3.542 1.497 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.229 -1.278 -0.973 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.750 -2.148 0.759 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -12.114 0.106 -1.717 1.00 1.13 H new ATOM 0 HZ PHE A 95 -14.378 -0.327 -0.853 1.00 1.23 H new ATOM 1356 N THR A 96 -10.857 -2.661 4.192 1.00 0.60 N ATOM 1357 CA THR A 96 -11.672 -3.124 5.285 1.00 0.69 C ATOM 1358 C THR A 96 -13.149 -2.897 4.993 1.00 0.86 C ATOM 1359 O THR A 96 -13.639 -1.768 5.067 1.00 1.02 O ATOM 1360 CB THR A 96 -11.281 -2.429 6.592 1.00 0.79 C ATOM 1361 OG1 THR A 96 -9.990 -1.820 6.459 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.238 -3.443 7.709 1.00 0.74 C ATOM 0 H THR A 96 -10.538 -1.696 4.275 1.00 0.60 H new ATOM 0 HA THR A 96 -11.500 -4.194 5.398 1.00 0.69 H new ATOM 0 HB THR A 96 -12.020 -1.660 6.818 1.00 0.79 H new ATOM 0 HG1 THR A 96 -10.022 -0.905 6.808 1.00 1.39 H new ATOM 0 HG21 THR A 96 -10.960 -2.948 8.639 1.00 0.74 H new ATOM 0 HG22 THR A 96 -12.220 -3.902 7.822 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.503 -4.213 7.474 1.00 0.74 H new ATOM 1370 N PRO A 97 -13.865 -3.976 4.634 1.00 0.92 N ATOM 1371 CA PRO A 97 -15.285 -3.909 4.309 1.00 1.14 C ATOM 1372 C PRO A 97 -16.135 -3.482 5.497 1.00 1.26 C ATOM 1373 O PRO A 97 -15.697 -3.535 6.651 1.00 1.22 O ATOM 1374 CB PRO A 97 -15.650 -5.337 3.902 1.00 1.19 C ATOM 1375 CG PRO A 97 -14.527 -6.210 4.334 1.00 1.04 C ATOM 1376 CD PRO A 97 -13.325 -5.339 4.507 1.00 0.83 C ATOM 0 HA PRO A 97 -15.472 -3.170 3.530 1.00 1.14 H new ATOM 0 HB2 PRO A 97 -16.583 -5.646 4.373 1.00 1.19 H new ATOM 0 HB3 PRO A 97 -15.799 -5.405 2.824 1.00 1.19 H new ATOM 0 HG2 PRO A 97 -14.772 -6.716 5.268 1.00 1.04 H new ATOM 0 HG3 PRO A 97 -14.336 -6.985 3.592 1.00 1.04 H new ATOM 0 HD2 PRO A 97 -12.755 -5.623 5.391 1.00 0.83 H new ATOM 0 HD3 PRO A 97 -12.651 -5.420 3.654 1.00 0.83 H new ATOM 1384 N SER A 98 -17.364 -3.082 5.197 1.00 1.46 N ATOM 1385 CA SER A 98 -18.299 -2.600 6.200 1.00 1.59 C ATOM 1386 C SER A 98 -18.742 -3.738 7.109 1.00 1.54 C ATOM 1387 O SER A 98 -19.196 -3.517 8.230 1.00 1.61 O ATOM 1388 CB SER A 98 -19.515 -1.988 5.509 1.00 1.88 C ATOM 1389 OG SER A 98 -19.120 -1.172 4.418 1.00 2.35 O ATOM 0 H SER A 98 -17.739 -3.083 4.249 1.00 1.46 H new ATOM 0 HA SER A 98 -17.804 -1.843 6.809 1.00 1.59 H new ATOM 0 HB2 SER A 98 -20.174 -2.781 5.155 1.00 1.88 H new ATOM 0 HB3 SER A 98 -20.085 -1.395 6.224 1.00 1.88 H new ATOM 0 HG SER A 98 -19.915 -0.792 3.989 1.00 2.35 H new ATOM 1395 N ASN A 99 -18.605 -4.958 6.606 1.00 1.51 N ATOM 1396 CA ASN A 99 -18.978 -6.152 7.355 1.00 1.59 C ATOM 1397 C ASN A 99 -17.986 -6.435 8.467 1.00 1.49 C ATOM 1398 O ASN A 99 -18.291 -7.132 9.433 1.00 1.65 O ATOM 1399 CB ASN A 99 -19.012 -7.356 6.422 1.00 1.69 C ATOM 1400 CG ASN A 99 -20.256 -7.419 5.558 1.00 1.99 C ATOM 1401 OD1 ASN A 99 -20.842 -6.392 5.212 1.00 2.33 O ATOM 1402 ND2 ASN A 99 -20.663 -8.623 5.195 1.00 2.36 N ATOM 0 H ASN A 99 -18.235 -5.148 5.675 1.00 1.51 H new ATOM 0 HA ASN A 99 -19.962 -5.977 7.791 1.00 1.59 H new ATOM 0 HB2 ASN A 99 -18.133 -7.331 5.778 1.00 1.69 H new ATOM 0 HB3 ASN A 99 -18.946 -8.268 7.016 1.00 1.69 H new ATOM 0 HD21 ASN A 99 -21.490 -8.726 4.607 1.00 2.36 H new ATOM 0 HD22 ASN A 99 -20.150 -9.449 5.503 1.00 2.36 H new ATOM 1409 N GLY A 100 -16.800 -5.880 8.320 1.00 1.31 N ATOM 1410 CA GLY A 100 -15.747 -6.086 9.292 1.00 1.30 C ATOM 1411 C GLY A 100 -15.000 -7.376 9.041 1.00 1.31 C ATOM 1412 O GLY A 100 -14.186 -7.808 9.857 1.00 1.39 O ATOM 0 H GLY A 100 -16.542 -5.282 7.535 1.00 1.31 H new ATOM 0 HA2 GLY A 100 -15.050 -5.249 9.256 1.00 1.30 H new ATOM 0 HA3 GLY A 100 -16.175 -6.102 10.294 1.00 1.30 H new ATOM 1416 N GLY A 101 -15.283 -7.986 7.900 1.00 1.28 N ATOM 1417 CA GLY A 101 -14.657 -9.240 7.538 1.00 1.33 C ATOM 1418 C GLY A 101 -13.251 -9.058 7.009 1.00 1.17 C ATOM 1419 O GLY A 101 -12.654 -7.991 7.164 1.00 1.05 O ATOM 0 H GLY A 101 -15.944 -7.629 7.210 1.00 1.28 H new ATOM 0 HA2 GLY A 101 -14.631 -9.894 8.410 1.00 1.33 H new ATOM 0 HA3 GLY A 101 -15.263 -9.740 6.783 1.00 1.33 H new ATOM 1423 N GLN A 102 -12.723 -10.106 6.390 1.00 1.21 N ATOM 1424 CA GLN A 102 -11.374 -10.082 5.844 1.00 1.07 C ATOM 1425 C GLN A 102 -11.233 -8.981 4.807 1.00 0.89 C ATOM 1426 O GLN A 102 -12.101 -8.793 3.952 1.00 0.90 O ATOM 1427 CB GLN A 102 -11.008 -11.432 5.216 1.00 1.13 C ATOM 1428 CG GLN A 102 -10.730 -12.537 6.226 1.00 1.89 C ATOM 1429 CD GLN A 102 -11.968 -12.984 6.981 1.00 2.23 C ATOM 1430 OE1 GLN A 102 -12.291 -12.451 8.041 1.00 2.80 O ATOM 1431 NE2 GLN A 102 -12.670 -13.964 6.438 1.00 2.53 N ATOM 0 H GLN A 102 -13.214 -10.990 6.253 1.00 1.21 H new ATOM 0 HA GLN A 102 -10.689 -9.884 6.669 1.00 1.07 H new ATOM 0 HB2 GLN A 102 -11.822 -11.748 4.563 1.00 1.13 H new ATOM 0 HB3 GLN A 102 -10.127 -11.300 4.587 1.00 1.13 H new ATOM 0 HG2 GLN A 102 -10.300 -13.394 5.708 1.00 1.89 H new ATOM 0 HG3 GLN A 102 -9.984 -12.188 6.940 1.00 1.89 H new ATOM 0 HE21 GLN A 102 -12.368 -14.380 5.557 1.00 2.53 H new ATOM 0 HE22 GLN A 102 -13.513 -14.304 6.900 1.00 2.53 H new ATOM 1440 N ALA A 103 -10.137 -8.253 4.901 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.871 -7.154 3.995 1.00 0.61 C ATOM 1442 C ALA A 103 -9.393 -7.656 2.662 1.00 0.58 C ATOM 1443 O ALA A 103 -8.721 -8.683 2.546 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.863 -6.191 4.594 1.00 0.52 C ATOM 0 H ALA A 103 -9.412 -8.405 5.602 1.00 0.76 H new ATOM 0 HA ALA A 103 -10.807 -6.617 3.839 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.680 -5.375 3.895 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.255 -5.788 5.528 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.929 -6.717 4.790 1.00 0.52 H new ATOM 1450 N THR A 104 -9.768 -6.906 1.667 1.00 0.53 N ATOM 1451 CA THR A 104 -9.454 -7.205 0.298 1.00 0.50 C ATOM 1452 C THR A 104 -8.081 -6.641 -0.055 1.00 0.43 C ATOM 1453 O THR A 104 -7.856 -5.437 0.063 1.00 0.51 O ATOM 1454 CB THR A 104 -10.555 -6.616 -0.582 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.683 -7.501 -0.636 1.00 0.64 O ATOM 1456 CG2 THR A 104 -10.065 -6.292 -1.973 1.00 0.56 C ATOM 0 H THR A 104 -10.312 -6.051 1.786 1.00 0.53 H new ATOM 0 HA THR A 104 -9.410 -8.282 0.135 1.00 0.50 H new ATOM 0 HB THR A 104 -10.864 -5.676 -0.125 1.00 0.53 H new ATOM 0 HG1 THR A 104 -12.043 -7.517 -1.547 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.884 -5.876 -2.560 1.00 0.56 H new ATOM 0 HG22 THR A 104 -9.256 -5.564 -1.913 1.00 0.56 H new ATOM 0 HG23 THR A 104 -9.701 -7.201 -2.452 1.00 0.56 H new ATOM 1464 N VAL A 105 -7.164 -7.511 -0.477 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.760 -7.133 -0.575 1.00 0.28 C ATOM 1466 C VAL A 105 -5.156 -7.376 -1.953 1.00 0.25 C ATOM 1467 O VAL A 105 -5.412 -8.387 -2.608 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.909 -7.909 0.448 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.443 -7.515 0.359 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.416 -7.711 1.867 1.00 0.35 C ATOM 0 H VAL A 105 -7.367 -8.472 -0.753 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.743 -6.062 -0.374 1.00 0.28 H new ATOM 0 HB VAL A 105 -5.001 -8.966 0.198 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.869 -8.080 1.094 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -3.068 -7.733 -0.641 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.340 -6.449 0.560 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.790 -8.274 2.559 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.378 -6.652 2.123 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.445 -8.065 1.939 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.362 -6.407 -2.366 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.454 -6.528 -3.487 1.00 0.17 C ATOM 1482 C LEU A 106 -2.027 -6.507 -2.956 1.00 0.15 C ATOM 1483 O LEU A 106 -1.584 -5.496 -2.406 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.674 -5.372 -4.462 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.924 -5.468 -5.332 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.988 -6.826 -6.015 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.185 -5.230 -4.504 1.00 0.26 C ATOM 0 H LEU A 106 -4.331 -5.491 -1.919 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.636 -7.462 -4.018 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -3.721 -4.444 -3.892 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.804 -5.301 -5.115 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.868 -4.692 -6.096 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.885 -6.881 -6.632 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -4.107 -6.960 -6.642 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -5.019 -7.612 -5.260 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -7.062 -5.304 -5.147 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.249 -5.980 -3.715 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.145 -4.236 -4.058 1.00 0.26 H new ATOM 1499 N THR A 107 -1.311 -7.612 -3.113 1.00 0.15 N ATOM 1500 CA THR A 107 -0.032 -7.779 -2.432 1.00 0.12 C ATOM 1501 C THR A 107 1.173 -7.736 -3.380 1.00 0.12 C ATOM 1502 O THR A 107 1.111 -8.174 -4.528 1.00 0.19 O ATOM 1503 CB THR A 107 0.002 -9.104 -1.649 1.00 0.17 C ATOM 1504 OG1 THR A 107 -1.254 -9.321 -0.993 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.119 -9.097 -0.610 1.00 0.24 C ATOM 0 H THR A 107 -1.589 -8.399 -3.699 1.00 0.15 H new ATOM 0 HA THR A 107 0.050 -6.931 -1.752 1.00 0.12 H new ATOM 0 HB THR A 107 0.189 -9.909 -2.360 1.00 0.17 H new ATOM 0 HG1 THR A 107 -1.223 -10.167 -0.499 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.121 -10.045 -0.071 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.079 -8.961 -1.109 1.00 0.24 H new ATOM 0 HG23 THR A 107 0.957 -8.280 0.093 1.00 0.24 H new ATOM 1513 N TYR A 108 2.260 -7.178 -2.862 1.00 0.13 N ATOM 1514 CA TYR A 108 3.559 -7.147 -3.527 1.00 0.15 C ATOM 1515 C TYR A 108 4.625 -7.492 -2.497 1.00 0.17 C ATOM 1516 O TYR A 108 4.482 -7.136 -1.337 1.00 0.20 O ATOM 1517 CB TYR A 108 3.808 -5.749 -4.105 1.00 0.17 C ATOM 1518 CG TYR A 108 5.252 -5.404 -4.382 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.924 -4.527 -3.545 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.929 -5.915 -5.480 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.230 -4.169 -3.784 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.244 -5.565 -5.725 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.890 -4.692 -4.876 1.00 0.20 C ATOM 1524 OH TYR A 108 9.197 -4.342 -5.123 1.00 0.23 O ATOM 0 H TYR A 108 2.264 -6.724 -1.948 1.00 0.13 H new ATOM 0 HA TYR A 108 3.588 -7.866 -4.345 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.246 -5.654 -5.034 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.404 -5.012 -3.412 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.411 -4.116 -2.688 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.423 -6.594 -6.151 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.736 -3.483 -3.121 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.763 -5.974 -6.579 1.00 0.21 H new ATOM 0 HH TYR A 108 9.511 -4.800 -5.930 1.00 0.23 H new ATOM 1534 N ASP A 109 5.676 -8.182 -2.896 1.00 0.17 N ATOM 1535 CA ASP A 109 6.730 -8.540 -1.952 1.00 0.19 C ATOM 1536 C ASP A 109 8.030 -7.836 -2.327 1.00 0.23 C ATOM 1537 O ASP A 109 8.658 -8.177 -3.324 1.00 0.29 O ATOM 1538 CB ASP A 109 6.930 -10.056 -1.938 1.00 0.23 C ATOM 1539 CG ASP A 109 7.677 -10.538 -0.710 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.835 -10.125 -0.505 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.107 -11.352 0.051 1.00 1.85 O ATOM 0 H ASP A 109 5.827 -8.504 -3.852 1.00 0.17 H new ATOM 0 HA ASP A 109 6.435 -8.218 -0.953 1.00 0.19 H new ATOM 0 HB2 ASP A 109 5.958 -10.547 -1.982 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.478 -10.354 -2.832 1.00 0.23 H new ATOM 1546 N TRP A 110 8.423 -6.841 -1.535 1.00 0.24 N ATOM 1547 CA TRP A 110 9.637 -6.075 -1.814 1.00 0.30 C ATOM 1548 C TRP A 110 10.877 -6.941 -1.634 1.00 0.43 C ATOM 1549 O TRP A 110 11.820 -6.871 -2.426 1.00 0.52 O ATOM 1550 CB TRP A 110 9.717 -4.830 -0.914 1.00 0.26 C ATOM 1551 CG TRP A 110 11.110 -4.285 -0.756 1.00 0.30 C ATOM 1552 CD1 TRP A 110 11.807 -3.528 -1.653 1.00 0.74 C ATOM 1553 CD2 TRP A 110 11.976 -4.459 0.375 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.050 -3.222 -1.148 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.174 -3.782 0.095 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.853 -5.121 1.597 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.240 -3.753 0.994 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.909 -5.088 2.487 1.00 2.91 C ATOM 1559 CH2 TRP A 110 14.090 -4.408 2.184 1.00 2.54 C ATOM 0 H TRP A 110 7.921 -6.546 -0.697 1.00 0.24 H new ATOM 0 HA TRP A 110 9.595 -5.746 -2.852 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.077 -4.051 -1.329 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.320 -5.078 0.070 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.437 -3.215 -2.618 1.00 0.74 H new ATOM 0 HE1 TRP A 110 13.763 -2.668 -1.623 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.945 -5.652 1.844 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.155 -3.230 0.757 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.819 -5.598 3.435 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.898 -4.399 2.901 1.00 2.54 H new ATOM 1570 N SER A 111 10.855 -7.763 -0.604 1.00 0.53 N ATOM 1571 CA SER A 111 11.967 -8.630 -0.280 1.00 0.69 C ATOM 1572 C SER A 111 12.193 -9.686 -1.361 1.00 0.68 C ATOM 1573 O SER A 111 13.321 -10.128 -1.589 1.00 0.85 O ATOM 1574 CB SER A 111 11.698 -9.278 1.063 1.00 0.82 C ATOM 1575 OG SER A 111 11.732 -8.321 2.105 1.00 1.56 O ATOM 0 H SER A 111 10.063 -7.848 0.033 1.00 0.53 H new ATOM 0 HA SER A 111 12.880 -8.036 -0.228 1.00 0.69 H new ATOM 0 HB2 SER A 111 10.724 -9.767 1.046 1.00 0.82 H new ATOM 0 HB3 SER A 111 12.441 -10.053 1.252 1.00 0.82 H new ATOM 0 HG SER A 111 11.752 -7.420 1.721 1.00 1.56 H new ATOM 1581 N ALA A 112 11.120 -10.091 -2.021 1.00 0.63 N ATOM 1582 CA ALA A 112 11.214 -11.035 -3.122 1.00 0.84 C ATOM 1583 C ALA A 112 11.228 -10.325 -4.471 1.00 1.74 C ATOM 1584 O ALA A 112 11.039 -10.950 -5.516 1.00 1.93 O ATOM 1585 CB ALA A 112 10.078 -12.040 -3.060 1.00 1.01 C ATOM 0 H ALA A 112 10.171 -9.780 -1.812 1.00 0.63 H new ATOM 0 HA ALA A 112 12.159 -11.568 -3.020 1.00 0.84 H new ATOM 0 HB1 ALA A 112 10.165 -12.739 -3.892 1.00 1.01 H new ATOM 0 HB2 ALA A 112 10.128 -12.588 -2.119 1.00 1.01 H new ATOM 0 HB3 ALA A 112 9.125 -11.516 -3.124 1.00 1.01 H new ATOM 1591 N ASN A 113 11.477 -9.017 -4.424 1.00 2.66 N ATOM 1592 CA ASN A 113 11.544 -8.168 -5.608 1.00 3.90 C ATOM 1593 C ASN A 113 10.337 -8.365 -6.514 1.00 4.58 C ATOM 1594 O ASN A 113 10.466 -8.512 -7.730 1.00 5.50 O ATOM 1595 CB ASN A 113 12.839 -8.428 -6.368 1.00 4.77 C ATOM 1596 CG ASN A 113 14.067 -7.998 -5.590 1.00 5.70 C ATOM 1597 OD1 ASN A 113 14.505 -6.852 -5.681 1.00 6.43 O ATOM 1598 ND2 ASN A 113 14.640 -8.917 -4.828 1.00 5.99 N ATOM 0 H ASN A 113 11.639 -8.513 -3.552 1.00 2.66 H new ATOM 0 HA ASN A 113 11.531 -7.130 -5.276 1.00 3.90 H new ATOM 0 HB2 ASN A 113 12.913 -9.491 -6.599 1.00 4.77 H new ATOM 0 HB3 ASN A 113 12.811 -7.896 -7.319 1.00 4.77 H new ATOM 0 HD21 ASN A 113 15.475 -8.685 -4.290 1.00 5.99 H new ATOM 0 HD22 ASN A 113 14.246 -9.857 -4.779 1.00 5.99 H new ATOM 1605 N GLY A 114 9.161 -8.362 -5.909 1.00 4.42 N ATOM 1606 CA GLY A 114 7.938 -8.603 -6.639 1.00 5.31 C ATOM 1607 C GLY A 114 7.464 -10.014 -6.421 1.00 5.08 C ATOM 1608 O GLY A 114 6.628 -10.275 -5.555 1.00 5.11 O ATOM 0 H GLY A 114 9.032 -8.194 -4.911 1.00 4.42 H new ATOM 0 HA2 GLY A 114 7.170 -7.901 -6.315 1.00 5.31 H new ATOM 0 HA3 GLY A 114 8.102 -8.428 -7.702 1.00 5.31 H new ATOM 1612 N VAL A 115 8.018 -10.922 -7.197 1.00 5.27 N ATOM 1613 CA VAL A 115 7.799 -12.334 -7.001 1.00 5.54 C ATOM 1614 C VAL A 115 9.103 -13.083 -7.224 1.00 5.84 C ATOM 1615 O VAL A 115 9.850 -12.794 -8.162 1.00 6.24 O ATOM 1616 CB VAL A 115 6.696 -12.890 -7.929 1.00 6.36 C ATOM 1617 CG1 VAL A 115 7.045 -12.671 -9.392 1.00 7.05 C ATOM 1618 CG2 VAL A 115 6.449 -14.368 -7.642 1.00 6.96 C ATOM 0 H VAL A 115 8.632 -10.699 -7.980 1.00 5.27 H new ATOM 0 HA VAL A 115 7.456 -12.481 -5.977 1.00 5.54 H new ATOM 0 HB VAL A 115 5.776 -12.343 -7.724 1.00 6.36 H new ATOM 0 HG11 VAL A 115 6.250 -13.073 -10.020 1.00 7.05 H new ATOM 0 HG12 VAL A 115 7.155 -11.604 -9.584 1.00 7.05 H new ATOM 0 HG13 VAL A 115 7.981 -13.179 -9.623 1.00 7.05 H new ATOM 0 HG21 VAL A 115 5.669 -14.742 -8.305 1.00 6.96 H new ATOM 0 HG22 VAL A 115 7.368 -14.930 -7.810 1.00 6.96 H new ATOM 0 HG23 VAL A 115 6.133 -14.490 -6.606 1.00 6.96 H new ATOM 1628 N ASN A 116 9.387 -14.008 -6.329 1.00 6.03 N ATOM 1629 CA ASN A 116 10.595 -14.808 -6.401 1.00 6.77 C ATOM 1630 C ASN A 116 10.537 -15.736 -7.606 1.00 7.60 C ATOM 1631 O ASN A 116 9.466 -16.235 -7.957 1.00 7.94 O ATOM 1632 CB ASN A 116 10.740 -15.620 -5.115 1.00 7.12 C ATOM 1633 CG ASN A 116 12.036 -16.407 -5.058 1.00 7.81 C ATOM 1634 OD1 ASN A 116 12.095 -17.555 -5.496 1.00 8.34 O ATOM 1635 ND2 ASN A 116 13.077 -15.798 -4.513 1.00 8.08 N ATOM 0 H ASN A 116 8.789 -14.227 -5.532 1.00 6.03 H new ATOM 0 HA ASN A 116 11.458 -14.152 -6.512 1.00 6.77 H new ATOM 0 HB2 ASN A 116 10.691 -14.947 -4.259 1.00 7.12 H new ATOM 0 HB3 ASN A 116 9.899 -16.308 -5.028 1.00 7.12 H new ATOM 0 HD21 ASN A 116 13.972 -16.282 -4.444 1.00 8.08 H new ATOM 0 HD22 ASN A 116 12.984 -14.845 -4.162 1.00 8.08 H new ATOM 1642 N SER A 117 11.680 -15.950 -8.246 1.00 8.17 N ATOM 1643 CA SER A 117 11.766 -16.846 -9.391 1.00 9.18 C ATOM 1644 C SER A 117 11.676 -18.300 -8.938 1.00 9.70 C ATOM 1645 O SER A 117 12.631 -19.070 -9.051 1.00 10.53 O ATOM 1646 CB SER A 117 13.068 -16.600 -10.155 1.00 9.92 C ATOM 1647 OG SER A 117 13.154 -15.251 -10.585 1.00 9.90 O ATOM 0 H SER A 117 12.565 -15.512 -7.989 1.00 8.17 H new ATOM 0 HA SER A 117 10.928 -16.644 -10.058 1.00 9.18 H new ATOM 0 HB2 SER A 117 13.919 -16.838 -9.517 1.00 9.92 H new ATOM 0 HB3 SER A 117 13.120 -17.265 -11.017 1.00 9.92 H new ATOM 0 HG SER A 117 13.995 -15.115 -11.070 1.00 9.90 H new ATOM 1653 N ASN A 118 10.524 -18.653 -8.398 1.00 9.37 N ATOM 1654 CA ASN A 118 10.274 -19.990 -7.905 1.00 10.00 C ATOM 1655 C ASN A 118 9.554 -20.804 -8.968 1.00 10.75 C ATOM 1656 O ASN A 118 8.309 -20.753 -9.024 1.00 11.23 O ATOM 1657 CB ASN A 118 9.452 -19.923 -6.615 1.00 9.57 C ATOM 1658 CG ASN A 118 9.105 -21.291 -6.061 1.00 9.83 C ATOM 1659 OD1 ASN A 118 8.040 -21.832 -6.340 1.00 10.17 O ATOM 1660 ND2 ASN A 118 10.003 -21.861 -5.274 1.00 9.94 N ATOM 1661 OXT ASN A 118 10.241 -21.464 -9.772 1.00 11.04 O ATOM 0 H ASN A 118 9.734 -18.016 -8.290 1.00 9.37 H new ATOM 0 HA ASN A 118 11.222 -20.479 -7.682 1.00 10.00 H new ATOM 0 HB2 ASN A 118 10.010 -19.364 -5.864 1.00 9.57 H new ATOM 0 HB3 ASN A 118 8.532 -19.370 -6.805 1.00 9.57 H new ATOM 0 HD21 ASN A 118 9.821 -22.782 -4.876 1.00 9.94 H new ATOM 0 HD22 ASN A 118 10.877 -21.379 -5.065 1.00 9.94 H new TER 1668 ASN A 118