USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 736 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 73 SER OG : rot -24:sc= 0.487 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.0621 K(o=0.43,f=-2.6) USER MOD Set 1.3: A 94 THR OG1 : rot -175:sc= -0.117 USER MOD Set 2.1: A 37 THR OG1 : rot 80:sc= 1.08 USER MOD Set 2.2: A 38 ASN : amide:sc= 0.271 K(o=0.78,f=-0.71) USER MOD Set 2.3: A 89 HIS : no HE2:sc= -0.573 K(o=0.78,f=-0.66) USER MOD Set 3.1: A 82 HIS : no HE2:sc= -0.988 K(o=0.11,f=-0.79) USER MOD Set 3.2: A 93 SER OG : rot 77:sc= 1.1 USER MOD Set 4.1: A 70 SER OG : rot 128:sc= 1.28 USER MOD Set 4.2: A 72 ASN : amide:sc= 1.07 K(o=3.7,f=-3.3!) USER MOD Set 4.3: A 96 THR OG1 : rot 69:sc= 1.37 USER MOD Set 5.1: A 54 ASN : amide:sc= -0.082 K(o=0.98,f=-1.1!) USER MOD Set 5.2: A 64 SER OG : rot 74:sc= 1.06 USER MOD Set 6.1: A 33 GLN : amide:sc= -1.78! C(o=-1.8!,f=-8.9!) USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.43! C(o=-1.4!,f=-9!) USER MOD Single : A 9 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 85:sc= 0.034 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.08 F(o=-3.1!,f=-1.1) USER MOD Single : A 17 SER OG : rot 72:sc= 0.237 USER MOD Single : A 19 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.13) USER MOD Single : A 28 SER OG : rot 96:sc= 1.22 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0149) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -163:sc= -8.36! (180deg=-9.65!) USER MOD Single : A 52 SER OG : rot 79:sc= 1.41 USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= -2.63! (180deg=-5.26!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0365 K(o=-0.036,f=-1.1) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= -0.137 (180deg=-0.747) USER MOD Single : A 69 LYS NZ :NH3+ -130:sc= 1.32 (180deg=-1.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -66:sc= -1.22 USER MOD Single : A 76 SER OG : rot -139:sc= 0.494 USER MOD Single : A 80 SER OG : rot -15:sc= 0.773 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 87 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 88 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -18.265 -5.576 -5.341 1.00 0.86 N ATOM 22 CA GLN A 7 -17.027 -4.997 -4.843 1.00 0.74 C ATOM 23 C GLN A 7 -15.866 -5.959 -5.004 1.00 0.69 C ATOM 24 O GLN A 7 -14.731 -5.539 -5.133 1.00 0.64 O ATOM 25 CB GLN A 7 -17.144 -4.613 -3.379 1.00 0.85 C ATOM 26 CG GLN A 7 -15.823 -4.179 -2.774 1.00 0.75 C ATOM 27 CD GLN A 7 -15.415 -2.780 -3.192 1.00 1.15 C ATOM 28 OE1 GLN A 7 -14.235 -2.500 -3.378 1.00 1.96 O ATOM 29 NE2 GLN A 7 -16.382 -1.884 -3.309 1.00 1.70 N ATOM 0 HA GLN A 7 -16.840 -4.101 -5.436 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.867 -3.804 -3.278 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -17.534 -5.461 -2.816 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.895 -4.222 -1.687 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -15.045 -4.883 -3.070 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -17.352 -2.156 -3.146 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -16.158 -0.922 -3.562 1.00 1.70 H new ATOM 38 N ASP A 8 -16.152 -7.244 -5.010 1.00 0.78 N ATOM 39 CA ASP A 8 -15.108 -8.246 -5.134 1.00 0.84 C ATOM 40 C ASP A 8 -14.351 -8.098 -6.449 1.00 0.77 C ATOM 41 O ASP A 8 -13.201 -8.517 -6.565 1.00 0.84 O ATOM 42 CB ASP A 8 -15.695 -9.645 -5.009 1.00 1.01 C ATOM 43 CG ASP A 8 -16.754 -9.938 -6.055 1.00 1.83 C ATOM 44 OD1 ASP A 8 -16.516 -10.799 -6.930 1.00 1.78 O ATOM 45 OD2 ASP A 8 -17.836 -9.314 -6.004 1.00 2.81 O ATOM 0 H ASP A 8 -17.096 -7.621 -4.931 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.398 -8.092 -4.322 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -14.894 -10.379 -5.096 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -16.130 -9.764 -4.016 1.00 1.01 H new ATOM 50 N ASN A 9 -14.997 -7.497 -7.434 1.00 0.72 N ATOM 51 CA ASN A 9 -14.323 -7.131 -8.669 1.00 0.70 C ATOM 52 C ASN A 9 -13.694 -5.761 -8.524 1.00 0.55 C ATOM 53 O ASN A 9 -12.590 -5.502 -9.011 1.00 0.53 O ATOM 54 CB ASN A 9 -15.301 -7.105 -9.835 1.00 0.80 C ATOM 55 CG ASN A 9 -15.669 -8.491 -10.324 1.00 1.28 C ATOM 56 OD1 ASN A 9 -14.870 -9.426 -10.246 1.00 2.04 O ATOM 57 ND2 ASN A 9 -16.883 -8.635 -10.829 1.00 1.78 N ATOM 0 H ASN A 9 -15.987 -7.252 -7.403 1.00 0.72 H new ATOM 0 HA ASN A 9 -13.554 -7.877 -8.869 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.207 -6.579 -9.532 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -14.864 -6.539 -10.657 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -17.188 -9.546 -11.172 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -17.514 -7.835 -10.875 1.00 1.78 H new ATOM 64 N ALA A 10 -14.413 -4.892 -7.833 1.00 0.51 N ATOM 65 CA ALA A 10 -13.990 -3.518 -7.633 1.00 0.45 C ATOM 66 C ALA A 10 -12.710 -3.450 -6.842 1.00 0.38 C ATOM 67 O ALA A 10 -11.744 -2.873 -7.301 1.00 0.35 O ATOM 68 CB ALA A 10 -15.056 -2.736 -6.904 1.00 0.49 C ATOM 0 H ALA A 10 -15.306 -5.120 -7.396 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.823 -3.084 -8.619 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.721 -1.708 -6.763 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -15.975 -2.741 -7.490 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.242 -3.193 -5.932 1.00 0.49 H new ATOM 74 N ARG A 11 -12.719 -4.053 -5.656 1.00 0.41 N ATOM 75 CA ARG A 11 -11.576 -4.021 -4.747 1.00 0.44 C ATOM 76 C ARG A 11 -10.314 -4.368 -5.498 1.00 0.35 C ATOM 77 O ARG A 11 -9.295 -3.706 -5.380 1.00 0.41 O ATOM 78 CB ARG A 11 -11.786 -4.995 -3.571 1.00 0.54 C ATOM 79 CG ARG A 11 -12.144 -6.424 -3.984 1.00 1.44 C ATOM 80 CD ARG A 11 -10.926 -7.318 -4.187 1.00 1.95 C ATOM 81 NE ARG A 11 -11.292 -8.648 -4.668 1.00 2.91 N ATOM 82 CZ ARG A 11 -10.799 -9.785 -4.176 1.00 3.53 C ATOM 83 NH1 ARG A 11 -9.939 -9.766 -3.164 1.00 3.46 N ATOM 84 NH2 ARG A 11 -11.171 -10.945 -4.697 1.00 4.41 N ATOM 0 H ARG A 11 -13.518 -4.577 -5.298 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.482 -3.014 -4.340 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -10.876 -5.021 -2.971 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.578 -4.606 -2.931 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.786 -6.865 -3.221 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -12.721 -6.394 -4.908 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -10.248 -6.849 -4.900 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -10.384 -7.410 -3.246 1.00 1.95 H new ATOM 0 HE ARG A 11 -11.968 -8.711 -5.429 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -9.650 -8.877 -2.757 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -9.567 -10.641 -2.794 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -11.833 -10.967 -5.473 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -10.795 -11.816 -4.322 1.00 4.41 H new ATOM 98 N LYS A 12 -10.428 -5.372 -6.325 1.00 0.28 N ATOM 99 CA LYS A 12 -9.306 -5.878 -7.058 1.00 0.27 C ATOM 100 C LYS A 12 -8.782 -4.823 -8.007 1.00 0.23 C ATOM 101 O LYS A 12 -7.585 -4.629 -8.112 1.00 0.37 O ATOM 102 CB LYS A 12 -9.722 -7.121 -7.837 1.00 0.37 C ATOM 103 CG LYS A 12 -8.563 -7.960 -8.299 1.00 0.49 C ATOM 104 CD LYS A 12 -7.950 -8.709 -7.137 1.00 0.94 C ATOM 105 CE LYS A 12 -6.622 -9.306 -7.521 1.00 0.88 C ATOM 106 NZ LYS A 12 -6.014 -10.072 -6.407 1.00 1.56 N ATOM 0 H LYS A 12 -11.304 -5.861 -6.508 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.513 -6.141 -6.358 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.374 -7.730 -7.211 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.307 -6.816 -8.705 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -8.899 -8.667 -9.058 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -7.811 -7.324 -8.766 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -7.818 -8.033 -6.292 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -8.627 -9.498 -6.811 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.755 -9.962 -8.382 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -5.942 -8.511 -7.828 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -5.102 -10.466 -6.714 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -5.863 -9.441 -5.594 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.650 -10.847 -6.131 1.00 1.56 H new ATOM 120 N SER A 13 -9.692 -4.125 -8.663 1.00 0.21 N ATOM 121 CA SER A 13 -9.324 -3.168 -9.692 1.00 0.24 C ATOM 122 C SER A 13 -9.028 -1.787 -9.101 1.00 0.24 C ATOM 123 O SER A 13 -8.021 -1.159 -9.432 1.00 0.28 O ATOM 124 CB SER A 13 -10.460 -3.088 -10.709 1.00 0.30 C ATOM 125 OG SER A 13 -10.663 -4.344 -11.336 1.00 0.90 O ATOM 0 H SER A 13 -10.696 -4.204 -8.500 1.00 0.21 H new ATOM 0 HA SER A 13 -8.409 -3.504 -10.179 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.377 -2.772 -10.212 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.228 -2.334 -11.461 1.00 0.30 H new ATOM 0 HG SER A 13 -11.250 -4.897 -10.779 1.00 0.90 H new ATOM 131 N ARG A 14 -9.905 -1.337 -8.211 1.00 0.25 N ATOM 132 CA ARG A 14 -9.796 -0.018 -7.603 1.00 0.30 C ATOM 133 C ARG A 14 -8.492 0.118 -6.840 1.00 0.24 C ATOM 134 O ARG A 14 -7.867 1.180 -6.840 1.00 0.30 O ATOM 135 CB ARG A 14 -10.970 0.241 -6.652 1.00 0.37 C ATOM 136 CG ARG A 14 -10.964 -0.675 -5.444 1.00 0.36 C ATOM 137 CD ARG A 14 -11.921 -0.216 -4.363 1.00 0.52 C ATOM 138 NE ARG A 14 -13.321 -0.360 -4.762 1.00 1.14 N ATOM 139 CZ ARG A 14 -14.133 0.665 -5.032 1.00 1.41 C ATOM 140 NH1 ARG A 14 -13.688 1.913 -4.953 1.00 1.66 N ATOM 141 NH2 ARG A 14 -15.395 0.440 -5.383 1.00 2.05 N ATOM 0 H ARG A 14 -10.710 -1.876 -7.892 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.818 0.718 -8.406 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -10.937 1.277 -6.316 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -11.906 0.112 -7.195 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -11.231 -1.685 -5.756 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -9.955 -0.724 -5.035 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.743 -0.792 -3.455 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -11.720 0.828 -4.122 1.00 0.52 H new ATOM 0 HE ARG A 14 -13.701 -1.303 -4.839 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.721 2.093 -4.685 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -14.313 2.692 -5.161 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -15.744 -0.516 -5.446 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -16.015 1.224 -5.589 1.00 2.05 H new ATOM 155 N ILE A 15 -8.076 -0.962 -6.200 1.00 0.17 N ATOM 156 CA ILE A 15 -6.854 -0.948 -5.453 1.00 0.15 C ATOM 157 C ILE A 15 -5.700 -1.067 -6.405 1.00 0.13 C ATOM 158 O ILE A 15 -4.747 -0.320 -6.320 1.00 0.13 O ATOM 159 CB ILE A 15 -6.780 -2.114 -4.472 1.00 0.19 C ATOM 160 CG1 ILE A 15 -7.925 -2.057 -3.469 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.457 -2.081 -3.740 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.058 -3.323 -2.663 1.00 0.34 C ATOM 0 H ILE A 15 -8.573 -1.852 -6.190 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.815 -0.014 -4.892 1.00 0.15 H new ATOM 0 HB ILE A 15 -6.864 -3.043 -5.036 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.769 -1.216 -2.793 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -8.858 -1.870 -4.000 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.408 -2.915 -3.040 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.641 -2.161 -4.459 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.367 -1.143 -3.193 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -8.890 -3.224 -1.965 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.244 -4.163 -3.333 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.137 -3.499 -2.107 1.00 0.34 H new ATOM 174 N GLN A 16 -5.833 -2.009 -7.325 1.00 0.15 N ATOM 175 CA GLN A 16 -4.781 -2.368 -8.255 1.00 0.20 C ATOM 176 C GLN A 16 -4.210 -1.173 -9.003 1.00 0.21 C ATOM 177 O GLN A 16 -2.988 -1.059 -9.135 1.00 0.24 O ATOM 178 CB GLN A 16 -5.318 -3.386 -9.232 1.00 0.25 C ATOM 179 CG GLN A 16 -4.647 -4.728 -9.090 1.00 0.40 C ATOM 180 CD GLN A 16 -5.063 -5.716 -10.162 1.00 1.08 C ATOM 181 OE1 GLN A 16 -6.141 -6.429 -9.911 1.00 1.85 O flip ATOM 182 NE2 GLN A 16 -4.433 -5.818 -11.215 1.00 1.71 N flip ATOM 0 H GLN A 16 -6.688 -2.552 -7.446 1.00 0.15 H new ATOM 0 HA GLN A 16 -3.958 -2.786 -7.676 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.391 -3.501 -9.079 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.178 -3.019 -10.249 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.566 -4.593 -9.128 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.882 -5.143 -8.110 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -3.602 -5.247 -11.370 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -4.742 -6.474 -11.933 1.00 1.71 H new ATOM 191 N SER A 17 -5.081 -0.281 -9.470 1.00 0.23 N ATOM 192 CA SER A 17 -4.637 0.888 -10.217 1.00 0.28 C ATOM 193 C SER A 17 -3.665 1.704 -9.376 1.00 0.25 C ATOM 194 O SER A 17 -2.664 2.222 -9.870 1.00 0.34 O ATOM 195 CB SER A 17 -5.837 1.747 -10.615 1.00 0.33 C ATOM 196 OG SER A 17 -6.853 0.959 -11.212 1.00 1.04 O ATOM 0 H SER A 17 -6.091 -0.346 -9.344 1.00 0.23 H new ATOM 0 HA SER A 17 -4.129 0.556 -11.122 1.00 0.28 H new ATOM 0 HB2 SER A 17 -6.234 2.252 -9.735 1.00 0.33 H new ATOM 0 HB3 SER A 17 -5.518 2.523 -11.311 1.00 0.33 H new ATOM 0 HG SER A 17 -7.284 0.407 -10.526 1.00 1.04 H new ATOM 202 N GLU A 18 -3.966 1.785 -8.094 1.00 0.19 N ATOM 203 CA GLU A 18 -3.135 2.491 -7.148 1.00 0.20 C ATOM 204 C GLU A 18 -2.003 1.598 -6.650 1.00 0.16 C ATOM 205 O GLU A 18 -0.872 2.044 -6.520 1.00 0.17 O ATOM 206 CB GLU A 18 -3.988 2.923 -5.973 1.00 0.28 C ATOM 207 CG GLU A 18 -5.283 3.590 -6.386 1.00 0.37 C ATOM 208 CD GLU A 18 -5.074 4.745 -7.340 1.00 1.43 C ATOM 209 OE1 GLU A 18 -5.584 4.679 -8.478 1.00 2.36 O ATOM 210 OE2 GLU A 18 -4.383 5.713 -6.964 1.00 1.76 O ATOM 0 H GLU A 18 -4.797 1.361 -7.682 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.698 3.360 -7.640 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.216 2.052 -5.359 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.415 3.611 -5.351 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.932 2.851 -6.855 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.800 3.950 -5.496 1.00 0.37 H new ATOM 217 N HIS A 19 -2.338 0.337 -6.373 1.00 0.15 N ATOM 218 CA HIS A 19 -1.417 -0.639 -5.794 1.00 0.14 C ATOM 219 C HIS A 19 -0.080 -0.616 -6.509 1.00 0.13 C ATOM 220 O HIS A 19 0.937 -0.435 -5.859 1.00 0.13 O ATOM 221 CB HIS A 19 -2.059 -2.049 -5.796 1.00 0.15 C ATOM 222 CG HIS A 19 -1.103 -3.194 -5.630 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.345 -3.401 -4.496 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.811 -4.217 -6.466 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.374 -4.499 -4.648 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.108 -5.012 -5.833 1.00 0.36 N ATOM 0 H HIS A 19 -3.270 -0.039 -6.547 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.223 -0.368 -4.756 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.796 -2.095 -4.994 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.599 -2.182 -6.734 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.226 -4.377 -7.450 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.063 -4.907 -3.924 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.520 -5.863 -6.216 1.00 0.36 H new ATOM 235 N ARG A 20 -0.092 -0.735 -7.832 1.00 0.14 N ATOM 236 CA ARG A 20 1.147 -0.704 -8.610 1.00 0.14 C ATOM 237 C ARG A 20 1.951 0.552 -8.291 1.00 0.12 C ATOM 238 O ARG A 20 3.160 0.484 -8.068 1.00 0.15 O ATOM 239 CB ARG A 20 0.848 -0.753 -10.108 1.00 0.19 C ATOM 240 CG ARG A 20 0.032 -1.961 -10.540 1.00 0.25 C ATOM 241 CD ARG A 20 0.259 -2.268 -12.009 1.00 0.90 C ATOM 242 NE ARG A 20 -0.403 -3.501 -12.430 1.00 2.11 N ATOM 243 CZ ARG A 20 -0.150 -4.124 -13.581 1.00 2.93 C ATOM 244 NH1 ARG A 20 0.723 -3.609 -14.437 1.00 2.80 N ATOM 245 NH2 ARG A 20 -0.779 -5.252 -13.883 1.00 4.14 N ATOM 0 H ARG A 20 -0.939 -0.853 -8.388 1.00 0.14 H new ATOM 0 HA ARG A 20 1.734 -1.581 -8.337 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.312 0.153 -10.390 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.790 -0.750 -10.656 1.00 0.19 H new ATOM 0 HG2 ARG A 20 0.307 -2.826 -9.936 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -1.027 -1.772 -10.363 1.00 0.25 H new ATOM 0 HD2 ARG A 20 -0.109 -1.438 -12.612 1.00 0.90 H new ATOM 0 HD3 ARG A 20 1.329 -2.350 -12.199 1.00 0.90 H new ATOM 0 HE ARG A 20 -1.100 -3.909 -11.806 1.00 2.11 H new ATOM 0 HH11 ARG A 20 1.201 -2.736 -14.215 1.00 2.80 H new ATOM 0 HH12 ARG A 20 0.916 -4.086 -15.318 1.00 2.80 H new ATOM 0 HH21 ARG A 20 -1.459 -5.646 -13.233 1.00 4.14 H new ATOM 0 HH22 ARG A 20 -0.582 -5.725 -14.765 1.00 4.14 H new ATOM 259 N GLU A 21 1.266 1.692 -8.248 1.00 0.14 N ATOM 260 CA GLU A 21 1.895 2.953 -7.889 1.00 0.14 C ATOM 261 C GLU A 21 2.515 2.882 -6.493 1.00 0.11 C ATOM 262 O GLU A 21 3.657 3.286 -6.304 1.00 0.13 O ATOM 263 CB GLU A 21 0.873 4.089 -7.913 1.00 0.20 C ATOM 264 CG GLU A 21 0.146 4.265 -9.227 1.00 0.33 C ATOM 265 CD GLU A 21 1.052 4.742 -10.343 1.00 0.52 C ATOM 266 OE1 GLU A 21 1.670 5.823 -10.203 1.00 0.98 O ATOM 267 OE2 GLU A 21 1.143 4.044 -11.371 1.00 0.82 O ATOM 0 H GLU A 21 0.271 1.765 -8.459 1.00 0.14 H new ATOM 0 HA GLU A 21 2.679 3.145 -8.622 1.00 0.14 H new ATOM 0 HB2 GLU A 21 0.137 3.913 -7.128 1.00 0.20 H new ATOM 0 HB3 GLU A 21 1.382 5.021 -7.669 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.308 3.317 -9.515 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -0.666 4.980 -9.094 1.00 0.33 H new ATOM 274 N LEU A 22 1.749 2.380 -5.515 1.00 0.10 N ATOM 275 CA LEU A 22 2.220 2.331 -4.127 1.00 0.09 C ATOM 276 C LEU A 22 3.510 1.542 -4.010 1.00 0.09 C ATOM 277 O LEU A 22 4.410 1.924 -3.272 1.00 0.12 O ATOM 278 CB LEU A 22 1.180 1.733 -3.162 1.00 0.10 C ATOM 279 CG LEU A 22 0.064 2.670 -2.698 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.621 4.049 -2.403 1.00 0.18 C ATOM 281 CD2 LEU A 22 -1.035 2.752 -3.722 1.00 0.22 C ATOM 0 H LEU A 22 0.811 2.006 -5.658 1.00 0.10 H new ATOM 0 HA LEU A 22 2.393 3.368 -3.840 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.722 0.870 -3.645 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.704 1.364 -2.281 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.362 2.262 -1.781 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -0.185 4.704 -2.074 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.374 3.977 -1.618 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.076 4.458 -3.305 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.815 3.425 -3.366 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.630 3.130 -4.661 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.457 1.760 -3.883 1.00 0.22 H new ATOM 293 N VAL A 23 3.612 0.442 -4.735 1.00 0.08 N ATOM 294 CA VAL A 23 4.804 -0.371 -4.648 1.00 0.09 C ATOM 295 C VAL A 23 5.921 0.226 -5.489 1.00 0.11 C ATOM 296 O VAL A 23 7.096 0.131 -5.128 1.00 0.12 O ATOM 297 CB VAL A 23 4.549 -1.843 -5.015 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.104 -2.104 -5.396 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.471 -2.290 -6.117 1.00 0.12 C ATOM 0 H VAL A 23 2.898 0.099 -5.377 1.00 0.08 H new ATOM 0 HA VAL A 23 5.117 -0.369 -3.604 1.00 0.09 H new ATOM 0 HB VAL A 23 4.758 -2.429 -4.120 1.00 0.11 H new ATOM 0 HG11 VAL A 23 2.978 -3.157 -5.646 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.455 -1.850 -4.558 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.839 -1.492 -6.258 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.271 -3.334 -6.358 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.305 -1.675 -7.002 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.506 -2.185 -5.791 1.00 0.12 H new ATOM 309 N SER A 24 5.552 0.864 -6.595 1.00 0.12 N ATOM 310 CA SER A 24 6.507 1.640 -7.370 1.00 0.15 C ATOM 311 C SER A 24 7.092 2.728 -6.478 1.00 0.13 C ATOM 312 O SER A 24 8.229 3.170 -6.653 1.00 0.15 O ATOM 313 CB SER A 24 5.819 2.272 -8.580 1.00 0.19 C ATOM 314 OG SER A 24 6.768 2.750 -9.520 1.00 0.74 O ATOM 0 H SER A 24 4.604 0.858 -6.971 1.00 0.12 H new ATOM 0 HA SER A 24 7.302 0.987 -7.729 1.00 0.15 H new ATOM 0 HB2 SER A 24 5.170 1.538 -9.057 1.00 0.19 H new ATOM 0 HB3 SER A 24 5.183 3.094 -8.251 1.00 0.19 H new ATOM 0 HG SER A 24 6.300 3.148 -10.284 1.00 0.74 H new ATOM 320 N ALA A 25 6.295 3.125 -5.499 1.00 0.10 N ATOM 321 CA ALA A 25 6.696 4.122 -4.531 1.00 0.09 C ATOM 322 C ALA A 25 7.481 3.471 -3.407 1.00 0.08 C ATOM 323 O ALA A 25 8.386 4.082 -2.852 1.00 0.08 O ATOM 324 CB ALA A 25 5.476 4.835 -3.979 1.00 0.12 C ATOM 0 H ALA A 25 5.352 2.762 -5.357 1.00 0.10 H new ATOM 0 HA ALA A 25 7.334 4.856 -5.023 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.790 5.583 -3.251 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.940 5.323 -4.793 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.820 4.112 -3.495 1.00 0.12 H new ATOM 330 N ILE A 26 7.138 2.223 -3.069 1.00 0.08 N ATOM 331 CA ILE A 26 7.881 1.488 -2.070 1.00 0.08 C ATOM 332 C ILE A 26 9.317 1.306 -2.521 1.00 0.09 C ATOM 333 O ILE A 26 10.249 1.578 -1.775 1.00 0.12 O ATOM 334 CB ILE A 26 7.242 0.107 -1.756 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.498 0.175 -0.438 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.278 -1.005 -1.694 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.084 -1.182 0.054 1.00 0.20 C ATOM 0 H ILE A 26 6.354 1.714 -3.476 1.00 0.08 H new ATOM 0 HA ILE A 26 7.855 2.073 -1.151 1.00 0.08 H new ATOM 0 HB ILE A 26 6.553 -0.125 -2.568 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.131 0.652 0.310 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.614 0.802 -0.554 1.00 0.18 H new ATOM 0 HG21 ILE A 26 7.784 -1.951 -1.472 1.00 0.15 H new ATOM 0 HG22 ILE A 26 8.790 -1.079 -2.654 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.004 -0.783 -0.912 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.555 -1.080 1.001 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.428 -1.650 -0.680 1.00 0.20 H new ATOM 0 HD13 ILE A 26 6.969 -1.802 0.198 1.00 0.20 H new ATOM 349 N GLN A 27 9.479 0.878 -3.762 1.00 0.09 N ATOM 350 CA GLN A 27 10.793 0.659 -4.334 1.00 0.11 C ATOM 351 C GLN A 27 11.589 1.960 -4.319 1.00 0.13 C ATOM 352 O GLN A 27 12.811 1.965 -4.186 1.00 0.17 O ATOM 353 CB GLN A 27 10.642 0.121 -5.758 1.00 0.11 C ATOM 354 CG GLN A 27 9.889 -1.195 -5.815 1.00 0.13 C ATOM 355 CD GLN A 27 9.789 -1.758 -7.220 1.00 0.19 C ATOM 356 OE1 GLN A 27 8.824 -1.502 -7.940 1.00 0.99 O ATOM 357 NE2 GLN A 27 10.792 -2.519 -7.624 1.00 1.25 N ATOM 0 H GLN A 27 8.707 0.674 -4.397 1.00 0.09 H new ATOM 0 HA GLN A 27 11.337 -0.076 -3.741 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.120 0.859 -6.366 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.631 -0.012 -6.197 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.388 -1.921 -5.173 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.886 -1.051 -5.414 1.00 0.13 H new ATOM 0 HE21 GLN A 27 11.574 -2.708 -6.997 1.00 1.25 H new ATOM 0 HE22 GLN A 27 10.784 -2.917 -8.563 1.00 1.25 H new ATOM 366 N SER A 28 10.864 3.059 -4.425 1.00 0.13 N ATOM 367 CA SER A 28 11.433 4.389 -4.373 1.00 0.16 C ATOM 368 C SER A 28 11.789 4.779 -2.926 1.00 0.18 C ATOM 369 O SER A 28 12.920 5.180 -2.642 1.00 0.22 O ATOM 370 CB SER A 28 10.415 5.353 -4.981 1.00 0.16 C ATOM 371 OG SER A 28 10.185 5.049 -6.350 1.00 0.68 O ATOM 0 H SER A 28 9.852 3.050 -4.551 1.00 0.13 H new ATOM 0 HA SER A 28 12.363 4.428 -4.941 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.477 5.294 -4.429 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.777 6.377 -4.887 1.00 0.16 H new ATOM 0 HG SER A 28 9.388 4.484 -6.430 1.00 0.68 H new ATOM 377 N TYR A 29 10.816 4.649 -2.023 1.00 0.16 N ATOM 378 CA TYR A 29 11.000 4.913 -0.592 1.00 0.19 C ATOM 379 C TYR A 29 12.143 4.071 -0.028 1.00 0.24 C ATOM 380 O TYR A 29 13.097 4.598 0.538 1.00 0.28 O ATOM 381 CB TYR A 29 9.685 4.573 0.133 1.00 0.15 C ATOM 382 CG TYR A 29 9.614 4.868 1.631 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.376 4.922 2.260 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.748 5.052 2.420 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.264 5.150 3.620 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.638 5.285 3.778 1.00 0.27 C ATOM 387 CZ TYR A 29 9.399 5.329 4.371 1.00 0.22 C ATOM 388 OH TYR A 29 9.294 5.556 5.725 1.00 0.32 O ATOM 0 H TYR A 29 9.870 4.355 -2.265 1.00 0.16 H new ATOM 0 HA TYR A 29 11.255 5.962 -0.443 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.879 5.119 -0.357 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.485 3.511 -0.012 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.480 4.783 1.673 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.726 5.012 1.964 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.291 5.187 4.087 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.527 5.433 4.374 1.00 0.27 H new ATOM 0 HH TYR A 29 10.189 5.661 6.110 1.00 0.32 H new ATOM 398 N ILE A 30 12.028 2.767 -0.193 1.00 0.25 N ATOM 399 CA ILE A 30 12.958 1.820 0.394 1.00 0.32 C ATOM 400 C ILE A 30 14.383 2.033 -0.089 1.00 0.38 C ATOM 401 O ILE A 30 15.326 1.964 0.699 1.00 0.44 O ATOM 402 CB ILE A 30 12.512 0.387 0.085 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.142 0.148 0.712 1.00 0.28 C ATOM 404 CG2 ILE A 30 13.536 -0.615 0.578 1.00 0.40 C ATOM 405 CD1 ILE A 30 10.640 -1.263 0.579 1.00 0.29 C ATOM 0 H ILE A 30 11.284 2.333 -0.740 1.00 0.25 H new ATOM 0 HA ILE A 30 12.951 1.986 1.471 1.00 0.32 H new ATOM 0 HB ILE A 30 12.433 0.252 -0.994 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.189 0.407 1.770 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.421 0.823 0.251 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.197 -1.625 0.347 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.491 -0.431 0.086 1.00 0.40 H new ATOM 0 HG23 ILE A 30 13.657 -0.511 1.656 1.00 0.40 H new ATOM 0 HD11 ILE A 30 9.661 -1.347 1.051 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.557 -1.522 -0.477 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.337 -1.945 1.066 1.00 0.29 H new ATOM 417 N GLY A 31 14.538 2.321 -1.372 1.00 0.38 N ATOM 418 CA GLY A 31 15.863 2.536 -1.919 1.00 0.47 C ATOM 419 C GLY A 31 16.475 3.820 -1.402 1.00 0.50 C ATOM 420 O GLY A 31 17.674 4.059 -1.550 1.00 0.57 O ATOM 0 H GLY A 31 13.775 2.410 -2.043 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.506 1.695 -1.659 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.807 2.571 -3.007 1.00 0.47 H new ATOM 424 N ALA A 32 15.640 4.645 -0.788 1.00 0.48 N ATOM 425 CA ALA A 32 16.072 5.903 -0.209 1.00 0.51 C ATOM 426 C ALA A 32 16.364 5.745 1.271 1.00 0.54 C ATOM 427 O ALA A 32 17.082 6.549 1.863 1.00 0.60 O ATOM 428 CB ALA A 32 14.995 6.950 -0.395 1.00 0.46 C ATOM 0 H ALA A 32 14.643 4.459 -0.678 1.00 0.48 H new ATOM 0 HA ALA A 32 16.985 6.215 -0.716 1.00 0.51 H new ATOM 0 HB1 ALA A 32 15.325 7.893 0.042 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.804 7.090 -1.459 1.00 0.46 H new ATOM 0 HB3 ALA A 32 14.080 6.622 0.098 1.00 0.46 H new ATOM 434 N GLN A 33 15.781 4.715 1.871 1.00 0.50 N ATOM 435 CA GLN A 33 15.888 4.504 3.294 1.00 0.53 C ATOM 436 C GLN A 33 17.316 4.345 3.768 1.00 0.65 C ATOM 437 O GLN A 33 18.225 4.037 2.994 1.00 0.70 O ATOM 438 CB GLN A 33 15.092 3.292 3.698 1.00 0.50 C ATOM 439 CG GLN A 33 13.625 3.592 3.785 1.00 0.42 C ATOM 440 CD GLN A 33 13.204 3.993 5.185 1.00 0.44 C ATOM 441 OE1 GLN A 33 12.821 3.155 5.999 1.00 1.04 O ATOM 442 NE2 GLN A 33 13.280 5.281 5.477 1.00 1.19 N ATOM 0 H GLN A 33 15.227 4.012 1.382 1.00 0.50 H new ATOM 0 HA GLN A 33 15.488 5.400 3.769 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.257 2.492 2.977 1.00 0.50 H new ATOM 0 HB3 GLN A 33 15.447 2.929 4.663 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.378 4.394 3.090 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.058 2.715 3.474 1.00 0.42 H new ATOM 0 HE21 GLN A 33 13.603 5.945 4.774 1.00 1.19 H new ATOM 0 HE22 GLN A 33 13.016 5.610 6.406 1.00 1.19 H new ATOM 451 N ASP A 34 17.486 4.562 5.055 1.00 0.72 N ATOM 452 CA ASP A 34 18.756 4.345 5.718 1.00 0.85 C ATOM 453 C ASP A 34 19.132 2.881 5.628 1.00 0.88 C ATOM 454 O ASP A 34 20.298 2.524 5.471 1.00 0.99 O ATOM 455 CB ASP A 34 18.639 4.780 7.168 1.00 0.90 C ATOM 456 CG ASP A 34 19.979 4.867 7.867 1.00 1.06 C ATOM 457 OD1 ASP A 34 20.142 4.235 8.933 1.00 1.14 O ATOM 458 OD2 ASP A 34 20.877 5.571 7.361 1.00 1.22 O ATOM 0 H ASP A 34 16.746 4.895 5.673 1.00 0.72 H new ATOM 0 HA ASP A 34 19.536 4.932 5.233 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.148 5.752 7.212 1.00 0.90 H new ATOM 0 HB3 ASP A 34 18.001 4.076 7.703 1.00 0.90 H new ATOM 463 N ASP A 35 18.112 2.048 5.698 1.00 0.82 N ATOM 464 CA ASP A 35 18.267 0.613 5.498 1.00 0.89 C ATOM 465 C ASP A 35 17.137 0.114 4.625 1.00 0.80 C ATOM 466 O ASP A 35 15.996 0.005 5.076 1.00 0.77 O ATOM 467 CB ASP A 35 18.250 -0.199 6.801 1.00 0.99 C ATOM 468 CG ASP A 35 19.162 0.338 7.882 1.00 1.60 C ATOM 469 OD1 ASP A 35 18.653 0.969 8.832 1.00 2.19 O ATOM 470 OD2 ASP A 35 20.388 0.109 7.801 1.00 1.95 O ATOM 0 H ASP A 35 17.155 2.341 5.894 1.00 0.82 H new ATOM 0 HA ASP A 35 19.244 0.471 5.036 1.00 0.89 H new ATOM 0 HB2 ASP A 35 17.230 -0.228 7.184 1.00 0.99 H new ATOM 0 HB3 ASP A 35 18.536 -1.227 6.578 1.00 0.99 H new ATOM 475 N PRO A 36 17.429 -0.199 3.365 1.00 0.79 N ATOM 476 CA PRO A 36 16.445 -0.748 2.429 1.00 0.72 C ATOM 477 C PRO A 36 16.163 -2.205 2.733 1.00 0.77 C ATOM 478 O PRO A 36 15.328 -2.854 2.103 1.00 0.77 O ATOM 479 CB PRO A 36 17.187 -0.617 1.100 1.00 0.73 C ATOM 480 CG PRO A 36 18.583 -0.883 1.500 1.00 0.84 C ATOM 481 CD PRO A 36 18.744 -0.043 2.718 1.00 0.85 C ATOM 0 HA PRO A 36 15.477 -0.248 2.459 1.00 0.72 H new ATOM 0 HB2 PRO A 36 16.830 -1.335 0.361 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.070 0.375 0.663 1.00 0.73 H new ATOM 0 HG2 PRO A 36 18.748 -1.939 1.713 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.288 -0.601 0.718 1.00 0.84 H new ATOM 0 HD2 PRO A 36 19.557 -0.395 3.353 1.00 0.85 H new ATOM 0 HD3 PRO A 36 18.959 0.997 2.472 1.00 0.85 H new ATOM 489 N THR A 37 16.879 -2.698 3.717 1.00 0.84 N ATOM 490 CA THR A 37 16.835 -4.087 4.071 1.00 0.90 C ATOM 491 C THR A 37 15.615 -4.385 4.920 1.00 0.89 C ATOM 492 O THR A 37 15.007 -5.448 4.808 1.00 0.91 O ATOM 493 CB THR A 37 18.122 -4.445 4.835 1.00 1.03 C ATOM 494 OG1 THR A 37 18.084 -3.868 6.149 1.00 1.07 O ATOM 495 CG2 THR A 37 19.333 -3.888 4.098 1.00 1.06 C ATOM 0 H THR A 37 17.509 -2.140 4.293 1.00 0.84 H new ATOM 0 HA THR A 37 16.765 -4.690 3.166 1.00 0.90 H new ATOM 0 HB THR A 37 18.195 -5.530 4.906 1.00 1.03 H new ATOM 0 HG1 THR A 37 17.528 -4.423 6.734 1.00 1.07 H new ATOM 0 HG21 THR A 37 20.241 -4.145 4.644 1.00 1.06 H new ATOM 0 HG22 THR A 37 19.378 -4.316 3.097 1.00 1.06 H new ATOM 0 HG23 THR A 37 19.248 -2.804 4.025 1.00 1.06 H new ATOM 503 N ASN A 38 15.237 -3.409 5.726 1.00 0.87 N ATOM 504 CA ASN A 38 14.056 -3.500 6.561 1.00 0.88 C ATOM 505 C ASN A 38 13.545 -2.094 6.855 1.00 0.80 C ATOM 506 O ASN A 38 13.563 -1.653 8.005 1.00 0.86 O ATOM 507 CB ASN A 38 14.342 -4.180 7.901 1.00 1.05 C ATOM 508 CG ASN A 38 15.149 -5.467 7.819 1.00 1.02 C ATOM 509 OD1 ASN A 38 16.376 -5.440 7.701 1.00 1.43 O ATOM 510 ND2 ASN A 38 14.480 -6.601 7.942 1.00 1.64 N ATOM 0 H ASN A 38 15.743 -2.528 5.819 1.00 0.87 H new ATOM 0 HA ASN A 38 13.322 -4.095 6.018 1.00 0.88 H new ATOM 0 HB2 ASN A 38 14.876 -3.476 8.540 1.00 1.05 H new ATOM 0 HB3 ASN A 38 13.392 -4.397 8.389 1.00 1.05 H new ATOM 0 HD21 ASN A 38 14.979 -7.490 7.941 1.00 1.64 H new ATOM 0 HD22 ASN A 38 13.465 -6.586 8.038 1.00 1.64 H new ATOM 517 N PRO A 39 13.118 -1.359 5.823 1.00 0.68 N ATOM 518 CA PRO A 39 12.610 0.010 5.978 1.00 0.61 C ATOM 519 C PRO A 39 11.450 0.103 6.967 1.00 0.63 C ATOM 520 O PRO A 39 10.771 -0.891 7.243 1.00 0.73 O ATOM 521 CB PRO A 39 12.138 0.387 4.572 1.00 0.53 C ATOM 522 CG PRO A 39 12.059 -0.897 3.831 1.00 0.54 C ATOM 523 CD PRO A 39 13.102 -1.780 4.420 1.00 0.64 C ATOM 0 HA PRO A 39 13.377 0.674 6.378 1.00 0.61 H new ATOM 0 HB2 PRO A 39 11.169 0.885 4.602 1.00 0.53 H new ATOM 0 HB3 PRO A 39 12.835 1.075 4.094 1.00 0.53 H new ATOM 0 HG2 PRO A 39 11.070 -1.343 3.930 1.00 0.54 H new ATOM 0 HG3 PRO A 39 12.235 -0.744 2.766 1.00 0.54 H new ATOM 0 HD2 PRO A 39 12.847 -2.835 4.316 1.00 0.64 H new ATOM 0 HD3 PRO A 39 14.071 -1.638 3.942 1.00 0.64 H new ATOM 531 N SER A 40 11.235 1.305 7.494 1.00 0.58 N ATOM 532 CA SER A 40 10.135 1.570 8.415 1.00 0.61 C ATOM 533 C SER A 40 8.804 1.229 7.764 1.00 0.53 C ATOM 534 O SER A 40 8.724 1.089 6.543 1.00 0.49 O ATOM 535 CB SER A 40 10.147 3.046 8.808 1.00 0.64 C ATOM 536 OG SER A 40 11.413 3.422 9.328 1.00 0.77 O ATOM 0 H SER A 40 11.816 2.120 7.295 1.00 0.58 H new ATOM 0 HA SER A 40 10.261 0.950 9.303 1.00 0.61 H new ATOM 0 HB2 SER A 40 9.910 3.660 7.939 1.00 0.64 H new ATOM 0 HB3 SER A 40 9.373 3.234 9.552 1.00 0.64 H new ATOM 0 HG SER A 40 11.398 4.371 9.571 1.00 0.77 H new ATOM 542 N GLU A 41 7.759 1.097 8.578 1.00 0.58 N ATOM 543 CA GLU A 41 6.450 0.799 8.062 1.00 0.55 C ATOM 544 C GLU A 41 6.029 1.873 7.096 1.00 0.51 C ATOM 545 O GLU A 41 5.837 3.038 7.454 1.00 0.72 O ATOM 546 CB GLU A 41 5.452 0.639 9.196 1.00 0.66 C ATOM 547 CG GLU A 41 4.017 0.851 8.774 1.00 0.66 C ATOM 548 CD GLU A 41 3.017 0.585 9.883 1.00 0.82 C ATOM 549 OE1 GLU A 41 2.658 -0.593 10.096 1.00 0.85 O ATOM 550 OE2 GLU A 41 2.580 1.555 10.543 1.00 0.99 O ATOM 0 H GLU A 41 7.805 1.194 9.592 1.00 0.58 H new ATOM 0 HA GLU A 41 6.481 -0.148 7.524 1.00 0.55 H new ATOM 0 HB2 GLU A 41 5.553 -0.360 9.620 1.00 0.66 H new ATOM 0 HB3 GLU A 41 5.698 1.347 9.987 1.00 0.66 H new ATOM 0 HG2 GLU A 41 3.897 1.876 8.425 1.00 0.66 H new ATOM 0 HG3 GLU A 41 3.794 0.198 7.930 1.00 0.66 H new ATOM 557 N ILE A 42 5.933 1.454 5.865 1.00 0.29 N ATOM 558 CA ILE A 42 5.681 2.332 4.768 1.00 0.21 C ATOM 559 C ILE A 42 4.195 2.590 4.622 1.00 0.22 C ATOM 560 O ILE A 42 3.389 1.660 4.632 1.00 0.27 O ATOM 561 CB ILE A 42 6.264 1.725 3.490 1.00 0.16 C ATOM 562 CG1 ILE A 42 7.789 1.809 3.552 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.714 2.420 2.267 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.468 1.574 2.233 1.00 0.15 C ATOM 0 H ILE A 42 6.030 0.475 5.596 1.00 0.29 H new ATOM 0 HA ILE A 42 6.164 3.292 4.954 1.00 0.21 H new ATOM 0 HB ILE A 42 5.974 0.677 3.414 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.074 2.793 3.925 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.154 1.077 4.272 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.142 1.972 1.370 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.630 2.312 2.244 1.00 0.13 H new ATOM 0 HG23 ILE A 42 5.973 3.478 2.303 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.548 1.650 2.361 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.216 0.579 1.866 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.134 2.322 1.514 1.00 0.15 H new ATOM 576 N THR A 43 3.832 3.855 4.517 1.00 0.19 N ATOM 577 CA THR A 43 2.444 4.213 4.365 1.00 0.19 C ATOM 578 C THR A 43 2.244 5.107 3.176 1.00 0.16 C ATOM 579 O THR A 43 3.198 5.606 2.590 1.00 0.15 O ATOM 580 CB THR A 43 1.877 4.905 5.614 1.00 0.21 C ATOM 581 OG1 THR A 43 2.621 6.090 5.903 1.00 0.21 O ATOM 582 CG2 THR A 43 1.918 3.970 6.807 1.00 0.22 C ATOM 0 H THR A 43 4.479 4.644 4.535 1.00 0.19 H new ATOM 0 HA THR A 43 1.904 3.278 4.217 1.00 0.19 H new ATOM 0 HB THR A 43 0.840 5.174 5.415 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.250 6.523 6.700 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.512 4.478 7.682 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.322 3.082 6.594 1.00 0.22 H new ATOM 0 HG23 THR A 43 2.949 3.676 7.004 1.00 0.22 H new ATOM 590 N LEU A 44 0.997 5.313 2.844 1.00 0.16 N ATOM 591 CA LEU A 44 0.631 6.099 1.691 1.00 0.15 C ATOM 592 C LEU A 44 1.008 7.548 1.898 1.00 0.15 C ATOM 593 O LEU A 44 1.446 8.239 0.981 1.00 0.16 O ATOM 594 CB LEU A 44 -0.853 5.961 1.474 1.00 0.16 C ATOM 595 CG LEU A 44 -1.345 4.527 1.453 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.758 4.455 0.924 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.398 3.660 0.641 1.00 0.18 C ATOM 0 H LEU A 44 0.203 4.941 3.365 1.00 0.16 H new ATOM 0 HA LEU A 44 1.166 5.741 0.812 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.376 6.502 2.262 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -1.117 6.438 0.530 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.360 4.143 2.473 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -3.092 3.417 0.917 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.416 5.044 1.563 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.787 4.852 -0.091 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.762 2.633 0.633 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.348 4.035 -0.381 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.596 3.690 1.088 1.00 0.18 H new ATOM 609 N ALA A 45 0.853 7.981 3.129 1.00 0.15 N ATOM 610 CA ALA A 45 1.195 9.331 3.518 1.00 0.15 C ATOM 611 C ALA A 45 2.714 9.542 3.451 1.00 0.15 C ATOM 612 O ALA A 45 3.196 10.663 3.294 1.00 0.18 O ATOM 613 CB ALA A 45 0.647 9.591 4.910 1.00 0.18 C ATOM 0 H ALA A 45 0.486 7.408 3.889 1.00 0.15 H new ATOM 0 HA ALA A 45 0.747 10.045 2.827 1.00 0.15 H new ATOM 0 HB1 ALA A 45 0.898 10.607 5.216 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.436 9.472 4.903 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.085 8.882 5.612 1.00 0.18 H new ATOM 619 N LYS A 46 3.456 8.444 3.559 1.00 0.15 N ATOM 620 CA LYS A 46 4.907 8.455 3.439 1.00 0.15 C ATOM 621 C LYS A 46 5.345 8.262 1.995 1.00 0.13 C ATOM 622 O LYS A 46 6.385 8.767 1.577 1.00 0.13 O ATOM 623 CB LYS A 46 5.483 7.334 4.276 1.00 0.16 C ATOM 624 CG LYS A 46 5.290 7.512 5.762 1.00 0.20 C ATOM 625 CD LYS A 46 5.773 6.290 6.511 1.00 0.22 C ATOM 626 CE LYS A 46 5.286 6.296 7.940 1.00 0.30 C ATOM 627 NZ LYS A 46 5.819 7.450 8.711 1.00 0.36 N ATOM 0 H LYS A 46 3.064 7.518 3.733 1.00 0.15 H new ATOM 0 HA LYS A 46 5.270 9.423 3.786 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.023 6.394 3.971 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.549 7.250 4.067 1.00 0.16 H new ATOM 0 HG2 LYS A 46 5.835 8.393 6.102 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.236 7.686 5.979 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.421 5.389 6.008 1.00 0.22 H new ATOM 0 HD3 LYS A 46 6.862 6.258 6.496 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.196 6.327 7.950 1.00 0.30 H new ATOM 0 HE3 LYS A 46 5.583 5.367 8.427 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 5.528 7.367 9.706 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 6.857 7.456 8.654 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.445 8.335 8.314 1.00 0.36 H new ATOM 641 N LEU A 47 4.560 7.497 1.255 1.00 0.13 N ATOM 642 CA LEU A 47 4.847 7.199 -0.134 1.00 0.11 C ATOM 643 C LEU A 47 4.500 8.368 -1.040 1.00 0.12 C ATOM 644 O LEU A 47 4.878 8.380 -2.206 1.00 0.14 O ATOM 645 CB LEU A 47 4.070 5.957 -0.559 1.00 0.09 C ATOM 646 CG LEU A 47 4.613 4.642 -0.015 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.743 3.482 -0.464 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.051 4.443 -0.462 1.00 0.11 C ATOM 0 H LEU A 47 3.704 7.065 1.603 1.00 0.13 H new ATOM 0 HA LEU A 47 5.917 7.015 -0.229 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.034 6.066 -0.237 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.061 5.907 -1.648 1.00 0.09 H new ATOM 0 HG LEU A 47 4.593 4.679 1.074 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.145 2.550 -0.066 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.727 3.625 -0.095 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.731 3.437 -1.553 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.428 3.500 -0.067 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.094 4.423 -1.551 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.665 5.263 -0.090 1.00 0.11 H new ATOM 660 N ALA A 48 3.802 9.351 -0.478 1.00 0.12 N ATOM 661 CA ALA A 48 3.358 10.538 -1.212 1.00 0.14 C ATOM 662 C ALA A 48 4.432 11.117 -2.141 1.00 0.15 C ATOM 663 O ALA A 48 4.171 11.321 -3.327 1.00 0.19 O ATOM 664 CB ALA A 48 2.875 11.605 -0.239 1.00 0.16 C ATOM 0 H ALA A 48 3.526 9.349 0.504 1.00 0.12 H new ATOM 0 HA ALA A 48 2.536 10.217 -1.852 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.547 12.483 -0.795 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.042 11.214 0.346 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.689 11.883 0.430 1.00 0.16 H new ATOM 670 N PRO A 49 5.654 11.387 -1.632 1.00 0.15 N ATOM 671 CA PRO A 49 6.734 11.978 -2.433 1.00 0.19 C ATOM 672 C PRO A 49 7.236 11.059 -3.545 1.00 0.21 C ATOM 673 O PRO A 49 7.924 11.499 -4.469 1.00 0.28 O ATOM 674 CB PRO A 49 7.851 12.188 -1.407 1.00 0.21 C ATOM 675 CG PRO A 49 7.164 12.196 -0.095 1.00 0.37 C ATOM 676 CD PRO A 49 6.101 11.172 -0.244 1.00 0.14 C ATOM 0 HA PRO A 49 6.397 12.882 -2.941 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.592 11.390 -1.460 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.378 13.126 -1.583 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.848 11.947 0.716 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.745 13.177 0.131 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.484 10.163 -0.091 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.292 11.318 0.472 1.00 0.14 H new ATOM 684 N TYR A 50 6.899 9.787 -3.445 1.00 0.21 N ATOM 685 CA TYR A 50 7.416 8.782 -4.355 1.00 0.25 C ATOM 686 C TYR A 50 6.359 8.316 -5.349 1.00 0.27 C ATOM 687 O TYR A 50 6.646 7.489 -6.216 1.00 0.33 O ATOM 688 CB TYR A 50 7.935 7.586 -3.559 1.00 0.26 C ATOM 689 CG TYR A 50 8.967 7.951 -2.517 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.288 8.182 -2.871 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.615 8.068 -1.181 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.232 8.519 -1.921 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.553 8.406 -0.224 1.00 0.30 C ATOM 694 CZ TYR A 50 10.861 8.632 -0.600 1.00 0.36 C ATOM 695 OH TYR A 50 11.801 8.975 0.345 1.00 0.42 O ATOM 0 H TYR A 50 6.263 9.423 -2.735 1.00 0.21 H new ATOM 0 HA TYR A 50 8.229 9.235 -4.923 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.094 7.095 -3.069 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.369 6.862 -4.249 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.583 8.097 -3.906 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.592 7.892 -0.884 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.257 8.693 -2.213 1.00 0.39 H new ATOM 0 HE2 TYR A 50 9.264 8.493 0.813 1.00 0.30 H new ATOM 0 HH TYR A 50 11.378 9.014 1.228 1.00 0.42 H new ATOM 705 N MET A 51 5.143 8.836 -5.240 1.00 0.28 N ATOM 706 CA MET A 51 4.077 8.399 -6.133 1.00 0.35 C ATOM 707 C MET A 51 4.151 9.137 -7.446 1.00 0.54 C ATOM 708 O MET A 51 4.246 10.363 -7.504 1.00 0.51 O ATOM 709 CB MET A 51 2.694 8.555 -5.516 1.00 0.29 C ATOM 710 CG MET A 51 2.608 7.989 -4.123 1.00 0.15 C ATOM 711 SD MET A 51 2.687 6.198 -4.064 1.00 0.26 S ATOM 712 CE MET A 51 1.487 5.761 -5.299 1.00 0.25 C ATOM 0 H MET A 51 4.873 9.545 -4.558 1.00 0.28 H new ATOM 0 HA MET A 51 4.230 7.334 -6.309 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.430 9.612 -5.490 1.00 0.29 H new ATOM 0 HB3 MET A 51 1.960 8.058 -6.151 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.420 8.399 -3.523 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.676 8.318 -3.664 1.00 0.15 H new ATOM 0 HE1 MET A 51 1.201 4.717 -5.175 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.606 6.394 -5.191 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.917 5.904 -6.290 1.00 0.25 H new ATOM 722 N SER A 52 4.104 8.352 -8.491 1.00 0.90 N ATOM 723 CA SER A 52 4.307 8.836 -9.848 1.00 1.14 C ATOM 724 C SER A 52 3.059 9.508 -10.411 1.00 0.98 C ATOM 725 O SER A 52 3.119 10.635 -10.905 1.00 1.19 O ATOM 726 CB SER A 52 4.742 7.672 -10.738 1.00 1.43 C ATOM 727 OG SER A 52 4.326 6.427 -10.184 1.00 2.32 O ATOM 0 H SER A 52 3.923 7.350 -8.433 1.00 0.90 H new ATOM 0 HA SER A 52 5.089 9.595 -9.826 1.00 1.14 H new ATOM 0 HB2 SER A 52 4.317 7.792 -11.734 1.00 1.43 H new ATOM 0 HB3 SER A 52 5.826 7.680 -10.851 1.00 1.43 H new ATOM 0 HG SER A 52 3.374 6.288 -10.370 1.00 2.32 H new ATOM 733 N LYS A 53 1.934 8.812 -10.345 1.00 0.79 N ATOM 734 CA LYS A 53 0.674 9.340 -10.837 1.00 0.81 C ATOM 735 C LYS A 53 0.153 10.430 -9.908 1.00 0.98 C ATOM 736 O LYS A 53 0.748 10.656 -8.861 1.00 1.91 O ATOM 737 CB LYS A 53 -0.347 8.194 -10.939 1.00 0.99 C ATOM 738 CG LYS A 53 -1.223 7.984 -9.704 1.00 0.82 C ATOM 739 CD LYS A 53 -0.400 7.799 -8.439 1.00 0.69 C ATOM 740 CE LYS A 53 -1.258 7.370 -7.267 1.00 0.86 C ATOM 741 NZ LYS A 53 -1.858 6.029 -7.488 1.00 1.65 N ATOM 0 H LYS A 53 1.870 7.873 -9.952 1.00 0.79 H new ATOM 0 HA LYS A 53 0.828 9.780 -11.822 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -0.995 8.382 -11.795 1.00 0.99 H new ATOM 0 HB3 LYS A 53 0.191 7.268 -11.144 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -1.886 8.840 -9.582 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -1.856 7.109 -9.854 1.00 0.82 H new ATOM 0 HD2 LYS A 53 0.374 7.052 -8.615 1.00 0.69 H new ATOM 0 HD3 LYS A 53 0.107 8.733 -8.196 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -0.654 7.353 -6.360 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -2.050 8.102 -7.109 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -2.820 6.010 -7.093 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -1.898 5.830 -8.508 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -1.276 5.307 -7.017 1.00 1.65 H new ATOM 755 N ASN A 54 -0.921 11.103 -10.345 1.00 0.79 N ATOM 756 CA ASN A 54 -1.807 11.947 -9.508 1.00 0.77 C ATOM 757 C ASN A 54 -1.122 12.608 -8.304 1.00 0.93 C ATOM 758 O ASN A 54 -0.888 13.818 -8.287 1.00 1.79 O ATOM 759 CB ASN A 54 -2.975 11.087 -9.004 1.00 0.75 C ATOM 760 CG ASN A 54 -4.186 11.914 -8.596 1.00 1.15 C ATOM 761 OD1 ASN A 54 -4.064 13.082 -8.220 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.364 11.313 -8.660 1.00 1.22 N ATOM 0 H ASN A 54 -1.212 11.079 -11.322 1.00 0.79 H new ATOM 0 HA ASN A 54 -2.138 12.764 -10.149 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.267 10.386 -9.786 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -2.642 10.494 -8.152 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -6.209 11.818 -8.393 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -5.426 10.345 -8.976 1.00 1.22 H new ATOM 769 N ALA A 55 -0.839 11.777 -7.310 1.00 0.45 N ATOM 770 CA ALA A 55 -0.292 12.165 -6.021 1.00 0.38 C ATOM 771 C ALA A 55 0.862 13.158 -6.101 1.00 0.49 C ATOM 772 O ALA A 55 1.590 13.233 -7.094 1.00 0.72 O ATOM 773 CB ALA A 55 0.185 10.909 -5.332 1.00 0.31 C ATOM 0 H ALA A 55 -0.992 10.771 -7.385 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.084 12.674 -5.471 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.603 11.164 -4.358 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.654 10.226 -5.199 1.00 0.31 H new ATOM 0 HB3 ALA A 55 0.951 10.428 -5.941 1.00 0.31 H new ATOM 779 N LYS A 56 1.022 13.899 -5.014 1.00 0.48 N ATOM 780 CA LYS A 56 2.137 14.805 -4.848 1.00 0.59 C ATOM 781 C LYS A 56 2.482 14.911 -3.367 1.00 0.45 C ATOM 782 O LYS A 56 3.616 14.657 -2.965 1.00 0.50 O ATOM 783 CB LYS A 56 1.816 16.183 -5.432 1.00 0.79 C ATOM 784 CG LYS A 56 3.019 17.111 -5.498 1.00 1.43 C ATOM 785 CD LYS A 56 4.130 16.540 -6.371 1.00 1.46 C ATOM 786 CE LYS A 56 3.674 16.319 -7.807 1.00 1.71 C ATOM 787 NZ LYS A 56 4.764 15.769 -8.658 1.00 2.30 N ATOM 0 H LYS A 56 0.378 13.885 -4.223 1.00 0.48 H new ATOM 0 HA LYS A 56 2.998 14.413 -5.390 1.00 0.59 H new ATOM 0 HB2 LYS A 56 1.409 16.057 -6.435 1.00 0.79 H new ATOM 0 HB3 LYS A 56 1.038 16.652 -4.829 1.00 0.79 H new ATOM 0 HG2 LYS A 56 2.709 18.079 -5.892 1.00 1.43 H new ATOM 0 HG3 LYS A 56 3.400 17.283 -4.492 1.00 1.43 H new ATOM 0 HD2 LYS A 56 4.983 17.219 -6.362 1.00 1.46 H new ATOM 0 HD3 LYS A 56 4.471 15.594 -5.950 1.00 1.46 H new ATOM 0 HE2 LYS A 56 2.826 15.635 -7.817 1.00 1.71 H new ATOM 0 HE3 LYS A 56 3.327 17.263 -8.227 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 4.413 15.633 -9.627 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 5.564 16.433 -8.670 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 5.078 14.856 -8.273 1.00 2.30 H new ATOM 801 N ASN A 57 1.488 15.258 -2.556 1.00 0.36 N ATOM 802 CA ASN A 57 1.661 15.317 -1.118 1.00 0.26 C ATOM 803 C ASN A 57 0.766 14.301 -0.439 1.00 0.22 C ATOM 804 O ASN A 57 -0.048 13.653 -1.099 1.00 0.24 O ATOM 805 CB ASN A 57 1.356 16.710 -0.570 1.00 0.31 C ATOM 806 CG ASN A 57 2.419 17.732 -0.925 1.00 0.35 C ATOM 807 OD1 ASN A 57 3.596 17.403 -1.053 1.00 1.02 O ATOM 808 ND2 ASN A 57 2.013 18.983 -1.079 1.00 1.32 N ATOM 0 H ASN A 57 0.551 15.503 -2.877 1.00 0.36 H new ATOM 0 HA ASN A 57 2.705 15.087 -0.906 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.394 17.045 -0.958 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.260 16.655 0.514 1.00 0.31 H new ATOM 0 HD21 ASN A 57 2.686 19.713 -1.312 1.00 1.32 H new ATOM 0 HD22 ASN A 57 1.027 19.217 -0.964 1.00 1.32 H new ATOM 815 N GLU A 58 0.900 14.186 0.869 1.00 0.23 N ATOM 816 CA GLU A 58 0.165 13.192 1.646 1.00 0.23 C ATOM 817 C GLU A 58 -1.341 13.432 1.570 1.00 0.30 C ATOM 818 O GLU A 58 -2.138 12.489 1.524 1.00 0.36 O ATOM 819 CB GLU A 58 0.664 13.206 3.089 1.00 0.27 C ATOM 820 CG GLU A 58 -0.359 13.676 4.089 1.00 0.36 C ATOM 821 CD GLU A 58 0.215 13.857 5.478 1.00 0.46 C ATOM 822 OE1 GLU A 58 0.577 14.994 5.836 1.00 0.68 O ATOM 823 OE2 GLU A 58 0.306 12.857 6.224 1.00 0.59 O ATOM 0 H GLU A 58 1.519 14.775 1.426 1.00 0.23 H new ATOM 0 HA GLU A 58 0.347 12.204 1.223 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.986 12.201 3.360 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.541 13.850 3.153 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -0.783 14.621 3.751 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.177 12.957 4.130 1.00 0.36 H new ATOM 830 N ASP A 59 -1.712 14.698 1.530 1.00 0.37 N ATOM 831 CA ASP A 59 -3.107 15.101 1.431 1.00 0.48 C ATOM 832 C ASP A 59 -3.718 14.626 0.122 1.00 0.41 C ATOM 833 O ASP A 59 -4.896 14.275 0.060 1.00 0.50 O ATOM 834 CB ASP A 59 -3.203 16.621 1.545 1.00 0.63 C ATOM 835 CG ASP A 59 -4.535 17.172 1.074 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.501 17.160 1.866 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.624 17.618 -0.091 1.00 0.55 O ATOM 0 H ASP A 59 -1.056 15.478 1.565 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.667 14.641 2.245 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.043 16.912 2.583 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.402 17.074 0.960 1.00 0.63 H new ATOM 842 N GLY A 60 -2.899 14.595 -0.915 1.00 0.35 N ATOM 843 CA GLY A 60 -3.375 14.202 -2.221 1.00 0.41 C ATOM 844 C GLY A 60 -3.322 12.706 -2.445 1.00 0.43 C ATOM 845 O GLY A 60 -4.327 12.102 -2.807 1.00 0.83 O ATOM 0 H GLY A 60 -1.909 14.836 -0.875 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -4.402 14.546 -2.346 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.777 14.699 -2.984 1.00 0.41 H new ATOM 849 N ILE A 61 -2.157 12.112 -2.201 1.00 0.25 N ATOM 850 CA ILE A 61 -1.917 10.708 -2.495 1.00 0.20 C ATOM 851 C ILE A 61 -2.985 9.806 -1.910 1.00 0.15 C ATOM 852 O ILE A 61 -3.696 9.112 -2.632 1.00 0.17 O ATOM 853 CB ILE A 61 -0.522 10.274 -1.974 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.340 8.767 -2.053 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.295 10.730 -0.543 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.721 8.162 -3.387 1.00 0.20 C ATOM 0 H ILE A 61 -1.355 12.593 -1.794 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.952 10.602 -3.579 1.00 0.20 H new ATOM 0 HB ILE A 61 0.213 10.754 -2.620 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.702 8.527 -1.843 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.938 8.299 -1.271 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.692 10.409 -0.211 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.358 11.817 -0.493 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -1.056 10.292 0.103 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.561 7.084 -3.357 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.772 8.367 -3.593 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.105 8.599 -4.174 1.00 0.20 H new ATOM 868 N VAL A 62 -3.093 9.856 -0.613 1.00 0.14 N ATOM 869 CA VAL A 62 -3.934 8.954 0.138 1.00 0.13 C ATOM 870 C VAL A 62 -5.383 9.102 -0.271 1.00 0.19 C ATOM 871 O VAL A 62 -6.125 8.131 -0.366 1.00 0.24 O ATOM 872 CB VAL A 62 -3.771 9.252 1.626 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.696 8.409 2.459 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.342 9.021 2.029 1.00 0.12 C ATOM 0 H VAL A 62 -2.594 10.532 -0.035 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.633 7.927 -0.068 1.00 0.13 H new ATOM 0 HB VAL A 62 -4.034 10.295 1.801 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.554 8.646 3.513 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.729 8.614 2.177 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.477 7.354 2.292 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.225 9.234 3.092 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -2.072 7.983 1.835 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.691 9.679 1.453 1.00 0.12 H new ATOM 884 N ASN A 63 -5.751 10.328 -0.549 1.00 0.23 N ATOM 885 CA ASN A 63 -7.111 10.659 -0.932 1.00 0.28 C ATOM 886 C ASN A 63 -7.407 10.194 -2.361 1.00 0.26 C ATOM 887 O ASN A 63 -8.554 9.909 -2.708 1.00 0.32 O ATOM 888 CB ASN A 63 -7.315 12.166 -0.795 1.00 0.39 C ATOM 889 CG ASN A 63 -8.737 12.608 -1.084 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.085 12.914 -2.224 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.565 12.657 -0.053 1.00 1.20 N ATOM 0 H ASN A 63 -5.120 11.129 -0.518 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.806 10.140 -0.272 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -7.045 12.472 0.216 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.637 12.681 -1.475 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.531 12.957 -0.188 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -9.238 12.395 0.877 1.00 1.20 H new ATOM 898 N SER A 64 -6.363 10.112 -3.178 1.00 0.25 N ATOM 899 CA SER A 64 -6.484 9.636 -4.554 1.00 0.30 C ATOM 900 C SER A 64 -6.495 8.111 -4.599 1.00 0.28 C ATOM 901 O SER A 64 -6.951 7.498 -5.568 1.00 0.39 O ATOM 902 CB SER A 64 -5.321 10.169 -5.391 1.00 0.38 C ATOM 903 OG SER A 64 -5.296 11.584 -5.376 1.00 1.17 O ATOM 0 H SER A 64 -5.414 10.371 -2.909 1.00 0.25 H new ATOM 0 HA SER A 64 -7.425 10.002 -4.965 1.00 0.30 H new ATOM 0 HB2 SER A 64 -4.380 9.780 -5.002 1.00 0.38 H new ATOM 0 HB3 SER A 64 -5.413 9.814 -6.417 1.00 0.38 H new ATOM 0 HG SER A 64 -4.968 11.896 -4.507 1.00 1.17 H new ATOM 909 N LEU A 65 -5.996 7.515 -3.534 1.00 0.21 N ATOM 910 CA LEU A 65 -5.916 6.072 -3.412 1.00 0.20 C ATOM 911 C LEU A 65 -7.204 5.524 -2.831 1.00 0.20 C ATOM 912 O LEU A 65 -8.002 6.277 -2.279 1.00 0.22 O ATOM 913 CB LEU A 65 -4.758 5.683 -2.506 1.00 0.21 C ATOM 914 CG LEU A 65 -3.402 6.213 -2.917 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.396 5.941 -1.826 1.00 0.18 C ATOM 916 CD2 LEU A 65 -2.949 5.561 -4.194 1.00 0.71 C ATOM 0 H LEU A 65 -5.633 8.020 -2.725 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.757 5.653 -4.405 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.975 6.034 -1.497 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -4.705 4.595 -2.460 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.482 7.288 -3.079 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.421 6.324 -2.126 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.713 6.435 -0.907 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.326 4.867 -1.655 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -1.972 5.953 -4.476 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -2.879 4.483 -4.047 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -3.667 5.773 -4.986 1.00 0.71 H new ATOM 928 N ALA A 66 -7.428 4.223 -3.006 1.00 0.21 N ATOM 929 CA ALA A 66 -8.592 3.570 -2.423 1.00 0.21 C ATOM 930 C ALA A 66 -8.721 3.890 -0.958 1.00 0.17 C ATOM 931 O ALA A 66 -7.738 3.893 -0.213 1.00 0.15 O ATOM 932 CB ALA A 66 -8.545 2.060 -2.584 1.00 0.23 C ATOM 0 H ALA A 66 -6.821 3.605 -3.544 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.455 3.956 -2.965 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.434 1.618 -2.134 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.512 1.808 -3.644 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.656 1.669 -2.090 1.00 0.23 H new ATOM 938 N LYS A 67 -9.939 4.147 -0.554 1.00 0.21 N ATOM 939 CA LYS A 67 -10.229 4.470 0.814 1.00 0.22 C ATOM 940 C LYS A 67 -11.136 3.418 1.392 1.00 0.29 C ATOM 941 O LYS A 67 -12.063 2.951 0.723 1.00 0.38 O ATOM 942 CB LYS A 67 -10.899 5.836 0.914 1.00 0.26 C ATOM 943 CG LYS A 67 -10.175 6.942 0.170 1.00 0.26 C ATOM 944 CD LYS A 67 -8.717 7.059 0.570 1.00 0.35 C ATOM 945 CE LYS A 67 -8.535 7.684 1.946 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.247 8.983 2.078 1.00 0.20 N ATOM 0 H LYS A 67 -10.755 4.137 -1.166 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.294 4.502 1.374 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -11.915 5.759 0.527 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -10.978 6.113 1.965 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.240 6.756 -0.902 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.677 7.891 0.360 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.261 6.069 0.562 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.188 7.659 -0.170 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -8.900 6.994 2.707 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -7.472 7.834 2.136 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.736 9.592 2.748 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.292 9.450 1.150 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -10.212 8.816 2.428 1.00 0.20 H new ATOM 960 N ASP A 68 -10.874 3.024 2.617 1.00 0.30 N ATOM 961 CA ASP A 68 -11.757 2.087 3.265 1.00 0.42 C ATOM 962 C ASP A 68 -12.426 2.727 4.475 1.00 0.49 C ATOM 963 O ASP A 68 -11.835 3.561 5.164 1.00 0.64 O ATOM 964 CB ASP A 68 -11.064 0.778 3.632 1.00 0.50 C ATOM 965 CG ASP A 68 -12.094 -0.315 3.734 1.00 1.21 C ATOM 966 OD1 ASP A 68 -12.866 -0.312 4.710 1.00 1.35 O ATOM 967 OD2 ASP A 68 -12.182 -1.148 2.814 1.00 2.24 O ATOM 0 H ASP A 68 -10.075 3.330 3.173 1.00 0.30 H new ATOM 0 HA ASP A 68 -12.531 1.825 2.543 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -10.319 0.523 2.878 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -10.535 0.886 4.579 1.00 0.50 H new ATOM 972 N LYS A 69 -13.652 2.298 4.734 1.00 0.58 N ATOM 973 CA LYS A 69 -14.587 3.046 5.562 1.00 0.74 C ATOM 974 C LYS A 69 -14.413 2.806 7.057 1.00 0.70 C ATOM 975 O LYS A 69 -14.563 3.730 7.853 1.00 0.84 O ATOM 976 CB LYS A 69 -16.026 2.733 5.133 1.00 0.94 C ATOM 977 CG LYS A 69 -16.615 1.439 5.691 1.00 0.98 C ATOM 978 CD LYS A 69 -15.880 0.201 5.202 1.00 1.81 C ATOM 979 CE LYS A 69 -16.010 0.010 3.701 1.00 2.24 C ATOM 980 NZ LYS A 69 -15.186 -1.130 3.219 1.00 3.13 N ATOM 0 H LYS A 69 -14.028 1.420 4.376 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.368 4.102 5.402 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -16.665 3.562 5.436 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -16.060 2.687 4.045 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -16.582 1.470 6.780 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.665 1.370 5.406 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -14.825 0.279 5.466 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -16.273 -0.678 5.713 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -17.055 -0.163 3.445 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -15.703 0.923 3.190 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -14.611 -0.824 2.408 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -14.561 -1.454 3.984 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -15.809 -1.910 2.927 1.00 3.13 H new ATOM 994 N SER A 70 -14.118 1.583 7.448 1.00 0.59 N ATOM 995 CA SER A 70 -14.087 1.252 8.857 1.00 0.65 C ATOM 996 C SER A 70 -12.663 1.233 9.383 1.00 0.70 C ATOM 997 O SER A 70 -12.396 1.666 10.504 1.00 0.87 O ATOM 998 CB SER A 70 -14.768 -0.095 9.078 1.00 0.65 C ATOM 999 OG SER A 70 -14.361 -1.028 8.091 1.00 1.13 O ATOM 0 H SER A 70 -13.899 0.811 6.819 1.00 0.59 H new ATOM 0 HA SER A 70 -14.628 2.019 9.411 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.521 -0.475 10.069 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.850 0.029 9.045 1.00 0.65 H new ATOM 0 HG SER A 70 -14.046 -1.848 8.526 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.749 0.756 8.552 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.353 0.704 8.945 1.00 0.73 C ATOM 1007 C GLY A 71 -10.110 -0.235 10.114 1.00 0.69 C ATOM 1008 O GLY A 71 -9.212 0.000 10.919 1.00 0.76 O ATOM 0 H GLY A 71 -11.946 0.405 7.615 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.752 0.383 8.095 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.017 1.706 9.213 1.00 0.73 H new ATOM 1012 N ASN A 72 -10.920 -1.291 10.207 1.00 0.63 N ATOM 1013 CA ASN A 72 -10.884 -2.224 11.345 1.00 0.68 C ATOM 1014 C ASN A 72 -9.466 -2.658 11.704 1.00 0.62 C ATOM 1015 O ASN A 72 -9.094 -2.679 12.876 1.00 0.61 O ATOM 1016 CB ASN A 72 -11.712 -3.479 11.050 1.00 0.86 C ATOM 1017 CG ASN A 72 -13.184 -3.191 10.849 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -13.635 -2.979 9.725 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -13.943 -3.184 11.933 1.00 1.67 N ATOM 0 H ASN A 72 -11.618 -1.527 9.502 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.306 -1.680 12.190 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -11.318 -3.964 10.157 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -11.596 -4.184 11.873 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -14.943 -2.998 11.854 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -13.528 -3.365 12.847 1.00 1.67 H new ATOM 1026 N SER A 73 -8.674 -2.990 10.696 1.00 0.68 N ATOM 1027 CA SER A 73 -7.345 -3.536 10.927 1.00 0.70 C ATOM 1028 C SER A 73 -6.305 -2.436 11.139 1.00 0.61 C ATOM 1029 O SER A 73 -5.139 -2.731 11.400 1.00 0.64 O ATOM 1030 CB SER A 73 -6.938 -4.434 9.754 1.00 0.92 C ATOM 1031 OG SER A 73 -5.690 -5.066 9.992 1.00 1.74 O ATOM 0 H SER A 73 -8.927 -2.891 9.713 1.00 0.68 H new ATOM 0 HA SER A 73 -7.383 -4.128 11.841 1.00 0.70 H new ATOM 0 HB2 SER A 73 -7.705 -5.191 9.591 1.00 0.92 H new ATOM 0 HB3 SER A 73 -6.878 -3.839 8.843 1.00 0.92 H new ATOM 0 HG SER A 73 -5.174 -4.538 10.637 1.00 1.74 H new ATOM 1037 N SER A 74 -6.739 -1.176 11.041 1.00 0.56 N ATOM 1038 CA SER A 74 -5.844 -0.025 11.146 1.00 0.56 C ATOM 1039 C SER A 74 -4.795 -0.081 10.042 1.00 0.57 C ATOM 1040 O SER A 74 -3.711 -0.632 10.220 1.00 1.03 O ATOM 1041 CB SER A 74 -5.179 0.029 12.526 1.00 0.67 C ATOM 1042 OG SER A 74 -4.535 1.276 12.743 1.00 1.30 O ATOM 0 H SER A 74 -7.716 -0.928 10.887 1.00 0.56 H new ATOM 0 HA SER A 74 -6.432 0.885 11.026 1.00 0.56 H new ATOM 0 HB2 SER A 74 -5.929 -0.134 13.300 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.451 -0.778 12.613 1.00 0.67 H new ATOM 0 HG SER A 74 -4.122 1.281 13.632 1.00 1.30 H new ATOM 1048 N THR A 75 -5.124 0.498 8.902 1.00 0.33 N ATOM 1049 CA THR A 75 -4.303 0.373 7.709 1.00 0.26 C ATOM 1050 C THR A 75 -3.134 1.358 7.716 1.00 0.25 C ATOM 1051 O THR A 75 -2.364 1.414 6.754 1.00 0.24 O ATOM 1052 CB THR A 75 -5.164 0.582 6.444 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.448 0.177 5.274 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.574 2.035 6.305 1.00 0.28 C ATOM 0 H THR A 75 -5.962 1.065 8.776 1.00 0.33 H new ATOM 0 HA THR A 75 -3.887 -0.634 7.702 1.00 0.26 H new ATOM 0 HB THR A 75 -6.059 -0.031 6.547 1.00 0.25 H new ATOM 0 HG1 THR A 75 -3.681 0.771 5.138 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.180 2.158 5.407 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.154 2.334 7.178 1.00 0.28 H new ATOM 0 HG23 THR A 75 -4.683 2.659 6.230 1.00 0.28 H new ATOM 1062 N SER A 76 -3.013 2.134 8.796 1.00 0.27 N ATOM 1063 CA SER A 76 -1.952 3.136 8.949 1.00 0.29 C ATOM 1064 C SER A 76 -2.160 4.324 8.001 1.00 0.24 C ATOM 1065 O SER A 76 -1.992 5.477 8.400 1.00 0.29 O ATOM 1066 CB SER A 76 -0.564 2.515 8.743 1.00 0.35 C ATOM 1067 OG SER A 76 -0.289 1.522 9.719 1.00 0.94 O ATOM 0 H SER A 76 -3.649 2.086 9.592 1.00 0.27 H new ATOM 0 HA SER A 76 -2.007 3.510 9.971 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.505 2.075 7.748 1.00 0.35 H new ATOM 0 HB3 SER A 76 0.196 3.295 8.792 1.00 0.35 H new ATOM 0 HG SER A 76 0.643 1.601 10.012 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.536 4.042 6.759 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.812 5.090 5.787 1.00 0.15 C ATOM 1075 C ALA A 77 -4.150 5.739 6.083 1.00 0.16 C ATOM 1076 O ALA A 77 -5.170 5.056 6.151 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.810 4.536 4.376 1.00 0.14 C ATOM 0 H ALA A 77 -2.657 3.094 6.402 1.00 0.17 H new ATOM 0 HA ALA A 77 -2.024 5.839 5.864 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.019 5.339 3.669 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.834 4.104 4.156 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.576 3.766 4.286 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.156 7.064 6.258 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.357 7.808 6.650 1.00 0.16 C ATOM 1085 C PRO A 78 -6.577 7.480 5.785 1.00 0.16 C ATOM 1086 O PRO A 78 -6.676 7.901 4.634 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.919 9.258 6.444 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.460 9.238 6.689 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.986 7.947 6.103 1.00 0.17 C ATOM 0 HA PRO A 78 -5.681 7.570 7.663 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.148 9.603 5.436 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.429 9.929 7.135 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.969 10.089 6.217 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.238 9.293 7.755 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.701 8.059 5.057 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.115 7.559 6.631 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.511 6.744 6.377 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.751 6.368 5.707 1.00 0.22 C ATOM 1099 C GLY A 79 -8.568 5.539 4.438 1.00 0.17 C ATOM 1100 O GLY A 79 -9.538 5.260 3.742 1.00 0.20 O ATOM 0 H GLY A 79 -7.431 6.392 7.331 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.369 5.804 6.406 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.301 7.275 5.455 1.00 0.22 H new ATOM 1104 N SER A 80 -7.342 5.139 4.130 1.00 0.17 N ATOM 1105 CA SER A 80 -7.052 4.462 2.868 1.00 0.14 C ATOM 1106 C SER A 80 -7.165 2.953 2.985 1.00 0.21 C ATOM 1107 O SER A 80 -7.519 2.414 4.034 1.00 0.49 O ATOM 1108 CB SER A 80 -5.656 4.839 2.393 1.00 0.18 C ATOM 1109 OG SER A 80 -5.654 5.147 1.008 1.00 0.58 O ATOM 0 H SER A 80 -6.531 5.270 4.734 1.00 0.17 H new ATOM 0 HA SER A 80 -7.796 4.789 2.142 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.295 5.697 2.960 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.968 4.016 2.587 1.00 0.18 H new ATOM 0 HG SER A 80 -6.486 4.828 0.601 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.902 2.292 1.868 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.936 0.857 1.786 1.00 0.17 C ATOM 1117 C ALA A 81 -5.565 0.300 1.431 1.00 0.17 C ATOM 1118 O ALA A 81 -5.448 -0.614 0.615 1.00 0.21 O ATOM 1119 CB ALA A 81 -7.948 0.452 0.737 1.00 0.21 C ATOM 0 H ALA A 81 -6.658 2.750 0.990 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.221 0.450 2.756 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.983 -0.635 0.666 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.932 0.829 1.016 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.659 0.870 -0.227 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.517 0.881 1.995 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.181 0.357 1.803 1.00 0.19 C ATOM 1127 C HIS A 82 -2.400 0.347 3.110 1.00 0.19 C ATOM 1128 O HIS A 82 -2.306 1.361 3.796 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.413 1.154 0.750 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.880 0.967 -0.663 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.506 -0.101 -1.440 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.684 1.734 -1.446 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -3.053 0.012 -2.636 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -3.775 1.115 -2.666 1.00 0.88 N ATOM 0 H HIS A 82 -4.569 1.711 2.586 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.290 -0.669 1.450 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.479 2.213 1.000 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.360 0.879 0.807 1.00 0.19 H new ATOM 0 HD1 HIS A 82 -1.899 -0.864 -1.140 1.00 0.66 H new ATOM 0 HD2 HIS A 82 -4.162 2.659 -1.160 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -2.930 -0.683 -3.453 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.846 -0.812 3.437 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.043 -0.993 4.638 1.00 0.25 C ATOM 1145 C GLN A 83 0.059 -1.986 4.347 1.00 0.22 C ATOM 1146 O GLN A 83 -0.211 -3.119 4.012 1.00 0.20 O ATOM 1147 CB GLN A 83 -1.909 -1.526 5.777 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.128 -1.925 7.017 1.00 0.74 C ATOM 1149 CD GLN A 83 -2.002 -2.602 8.053 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -2.997 -3.249 7.720 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -1.630 -2.470 9.312 1.00 2.09 N ATOM 0 H GLN A 83 -1.941 -1.657 2.874 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.619 -0.033 4.933 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.639 -0.764 6.050 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.468 -2.390 5.420 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -0.318 -2.597 6.733 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -0.669 -1.039 7.455 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -0.799 -1.925 9.544 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -2.173 -2.913 10.053 1.00 2.09 H new ATOM 1160 N ILE A 84 1.289 -1.570 4.484 1.00 0.23 N ATOM 1161 CA ILE A 84 2.403 -2.414 4.141 1.00 0.21 C ATOM 1162 C ILE A 84 2.872 -3.281 5.308 1.00 0.25 C ATOM 1163 O ILE A 84 2.878 -2.852 6.462 1.00 0.29 O ATOM 1164 CB ILE A 84 3.522 -1.532 3.593 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.184 -1.224 2.142 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.894 -2.180 3.734 1.00 0.29 C ATOM 1167 CD1 ILE A 84 3.015 0.245 1.843 1.00 0.20 C ATOM 0 H ILE A 84 1.546 -0.647 4.833 1.00 0.23 H new ATOM 0 HA ILE A 84 2.087 -3.123 3.376 1.00 0.21 H new ATOM 0 HB ILE A 84 3.585 -0.610 4.171 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.972 -1.624 1.505 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.264 -1.745 1.877 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.655 -1.513 3.330 1.00 0.29 H new ATOM 0 HG22 ILE A 84 5.100 -2.370 4.787 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.909 -3.122 3.186 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.776 0.376 0.788 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.206 0.649 2.452 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.941 0.772 2.073 1.00 0.20 H new ATOM 1179 N ASP A 85 3.242 -4.515 4.985 1.00 0.28 N ATOM 1180 CA ASP A 85 3.739 -5.463 5.971 1.00 0.32 C ATOM 1181 C ASP A 85 5.246 -5.460 5.975 1.00 0.38 C ATOM 1182 O ASP A 85 5.884 -5.874 5.012 1.00 0.37 O ATOM 1183 CB ASP A 85 3.233 -6.882 5.686 1.00 0.27 C ATOM 1184 CG ASP A 85 3.866 -7.922 6.594 1.00 0.36 C ATOM 1185 OD1 ASP A 85 3.540 -7.947 7.800 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.694 -8.720 6.106 1.00 0.54 O ATOM 0 H ASP A 85 3.206 -4.884 4.035 1.00 0.28 H new ATOM 0 HA ASP A 85 3.366 -5.154 6.948 1.00 0.32 H new ATOM 0 HB2 ASP A 85 2.150 -6.909 5.809 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.443 -7.137 4.647 1.00 0.27 H new ATOM 1191 N THR A 86 5.810 -5.004 7.065 1.00 0.49 N ATOM 1192 CA THR A 86 7.241 -4.896 7.181 1.00 0.58 C ATOM 1193 C THR A 86 7.849 -6.208 7.653 1.00 0.57 C ATOM 1194 O THR A 86 9.060 -6.406 7.597 1.00 0.63 O ATOM 1195 CB THR A 86 7.600 -3.764 8.139 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.836 -3.883 9.346 1.00 0.81 O ATOM 1197 CG2 THR A 86 7.316 -2.436 7.474 1.00 0.82 C ATOM 0 H THR A 86 5.294 -4.699 7.891 1.00 0.49 H new ATOM 0 HA THR A 86 7.653 -4.672 6.197 1.00 0.58 H new ATOM 0 HB THR A 86 8.659 -3.823 8.389 1.00 0.75 H new ATOM 0 HG1 THR A 86 7.073 -3.154 9.957 1.00 0.81 H new ATOM 0 HG21 THR A 86 7.572 -1.625 8.156 1.00 0.82 H new ATOM 0 HG22 THR A 86 7.913 -2.348 6.566 1.00 0.82 H new ATOM 0 HG23 THR A 86 6.258 -2.376 7.219 1.00 0.82 H new ATOM 1205 N THR A 87 6.988 -7.099 8.113 1.00 0.52 N ATOM 1206 CA THR A 87 7.396 -8.423 8.539 1.00 0.54 C ATOM 1207 C THR A 87 8.039 -9.187 7.384 1.00 0.50 C ATOM 1208 O THR A 87 9.197 -9.597 7.461 1.00 0.54 O ATOM 1209 CB THR A 87 6.184 -9.212 9.052 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.323 -8.342 9.798 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.628 -10.368 9.925 1.00 0.58 C ATOM 0 H THR A 87 5.987 -6.923 8.201 1.00 0.52 H new ATOM 0 HA THR A 87 8.125 -8.310 9.342 1.00 0.54 H new ATOM 0 HB THR A 87 5.642 -9.614 8.196 1.00 0.58 H new ATOM 0 HG1 THR A 87 4.635 -7.975 9.204 1.00 0.71 H new ATOM 0 HG21 THR A 87 5.753 -10.914 10.278 1.00 0.58 H new ATOM 0 HG22 THR A 87 7.265 -11.037 9.346 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.186 -9.985 10.779 1.00 0.58 H new ATOM 1219 N ASN A 88 7.286 -9.357 6.306 1.00 0.47 N ATOM 1220 CA ASN A 88 7.778 -10.064 5.130 1.00 0.53 C ATOM 1221 C ASN A 88 8.244 -9.072 4.076 1.00 0.52 C ATOM 1222 O ASN A 88 8.788 -9.456 3.043 1.00 0.64 O ATOM 1223 CB ASN A 88 6.687 -10.963 4.540 1.00 0.59 C ATOM 1224 CG ASN A 88 6.127 -11.954 5.542 1.00 0.76 C ATOM 1225 OD1 ASN A 88 6.613 -13.078 5.663 1.00 1.26 O ATOM 1226 ND2 ASN A 88 5.100 -11.543 6.271 1.00 1.50 N ATOM 0 H ASN A 88 6.329 -9.014 6.221 1.00 0.47 H new ATOM 0 HA ASN A 88 8.618 -10.686 5.437 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.876 -10.340 4.162 1.00 0.59 H new ATOM 0 HB3 ASN A 88 7.094 -11.508 3.688 1.00 0.59 H new ATOM 0 HD21 ASN A 88 4.684 -12.166 6.963 1.00 1.50 H new ATOM 0 HD22 ASN A 88 4.726 -10.603 6.141 1.00 1.50 H new ATOM 1233 N HIS A 89 8.019 -7.788 4.369 1.00 0.47 N ATOM 1234 CA HIS A 89 8.389 -6.682 3.479 1.00 0.53 C ATOM 1235 C HIS A 89 7.505 -6.662 2.235 1.00 0.43 C ATOM 1236 O HIS A 89 7.999 -6.558 1.112 1.00 0.45 O ATOM 1237 CB HIS A 89 9.867 -6.755 3.072 1.00 0.72 C ATOM 1238 CG HIS A 89 10.819 -6.675 4.225 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.864 -7.556 4.393 1.00 1.28 N ATOM 1240 CD2 HIS A 89 10.887 -5.813 5.266 1.00 0.96 C ATOM 1241 CE1 HIS A 89 12.530 -7.237 5.483 1.00 1.48 C ATOM 1242 NE2 HIS A 89 11.957 -6.182 6.033 1.00 1.26 N ATOM 0 H HIS A 89 7.573 -7.484 5.234 1.00 0.47 H new ATOM 0 HA HIS A 89 8.235 -5.757 4.035 1.00 0.53 H new ATOM 0 HB2 HIS A 89 10.040 -7.688 2.535 1.00 0.72 H new ATOM 0 HB3 HIS A 89 10.083 -5.943 2.378 1.00 0.72 H new ATOM 0 HD1 HIS A 89 12.087 -8.333 3.771 1.00 1.28 H new ATOM 0 HD2 HIS A 89 10.219 -4.986 5.456 1.00 0.96 H new ATOM 0 HE1 HIS A 89 13.400 -7.752 5.864 1.00 1.48 H new ATOM 1251 N LYS A 90 6.196 -6.745 2.440 1.00 0.35 N ATOM 1252 CA LYS A 90 5.258 -6.748 1.319 1.00 0.28 C ATOM 1253 C LYS A 90 4.394 -5.495 1.311 1.00 0.23 C ATOM 1254 O LYS A 90 4.109 -4.907 2.353 1.00 0.26 O ATOM 1255 CB LYS A 90 4.353 -7.992 1.339 1.00 0.30 C ATOM 1256 CG LYS A 90 5.104 -9.272 1.673 1.00 0.33 C ATOM 1257 CD LYS A 90 4.170 -10.455 1.853 1.00 0.32 C ATOM 1258 CE LYS A 90 3.323 -10.302 3.104 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.506 -11.514 3.368 1.00 0.44 N ATOM 0 H LYS A 90 5.761 -6.811 3.360 1.00 0.35 H new ATOM 0 HA LYS A 90 5.861 -6.768 0.411 1.00 0.28 H new ATOM 0 HB2 LYS A 90 3.558 -7.843 2.069 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.875 -8.102 0.365 1.00 0.30 H new ATOM 0 HG2 LYS A 90 5.816 -9.491 0.878 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.681 -9.125 2.586 1.00 0.33 H new ATOM 0 HD2 LYS A 90 3.522 -10.546 0.981 1.00 0.32 H new ATOM 0 HD3 LYS A 90 4.752 -11.375 1.915 1.00 0.32 H new ATOM 0 HE2 LYS A 90 3.970 -10.106 3.959 1.00 0.34 H new ATOM 0 HE3 LYS A 90 2.667 -9.438 2.996 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 1.942 -11.371 4.230 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.871 -11.687 2.563 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 3.133 -12.334 3.496 1.00 0.44 H new ATOM 1273 N LEU A 91 3.974 -5.109 0.118 1.00 0.20 N ATOM 1274 CA LEU A 91 3.043 -4.016 -0.066 1.00 0.17 C ATOM 1275 C LEU A 91 1.643 -4.602 -0.059 1.00 0.14 C ATOM 1276 O LEU A 91 1.192 -5.181 -1.044 1.00 0.17 O ATOM 1277 CB LEU A 91 3.349 -3.303 -1.399 1.00 0.26 C ATOM 1278 CG LEU A 91 2.540 -2.041 -1.780 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.239 -1.869 -1.006 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.393 -0.813 -1.625 1.00 0.16 C ATOM 0 H LEU A 91 4.273 -5.549 -0.752 1.00 0.20 H new ATOM 0 HA LEU A 91 3.131 -3.277 0.731 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.403 -3.027 -1.389 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.218 -4.032 -2.199 1.00 0.26 H new ATOM 0 HG LEU A 91 2.252 -2.179 -2.822 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.737 -0.960 -1.336 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.592 -2.727 -1.187 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.456 -1.797 0.060 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.813 0.069 -1.896 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.722 -0.727 -0.589 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.263 -0.890 -2.277 1.00 0.16 H new ATOM 1292 N ILE A 92 0.975 -4.428 1.061 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.375 -4.896 1.249 1.00 0.16 C ATOM 1294 C ILE A 92 -1.354 -3.762 1.013 1.00 0.17 C ATOM 1295 O ILE A 92 -1.074 -2.598 1.309 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.553 -5.441 2.685 1.00 0.19 C ATOM 1297 CG1 ILE A 92 0.060 -6.828 2.826 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.011 -5.456 3.127 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.554 -6.815 2.951 1.00 0.22 C ATOM 0 H ILE A 92 1.362 -3.951 1.875 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.571 -5.696 0.535 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.022 -4.755 3.345 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.365 -7.316 3.703 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.218 -7.429 1.960 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.079 -5.847 4.142 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.409 -4.442 3.102 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.589 -6.090 2.454 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.920 -7.837 3.048 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.989 -6.356 2.063 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.840 -6.242 3.833 1.00 0.22 H new ATOM 1311 N SER A 93 -2.481 -4.092 0.443 1.00 0.20 N ATOM 1312 CA SER A 93 -3.567 -3.159 0.355 1.00 0.26 C ATOM 1313 C SER A 93 -4.716 -3.672 1.201 1.00 0.37 C ATOM 1314 O SER A 93 -5.293 -4.702 0.889 1.00 0.61 O ATOM 1315 CB SER A 93 -3.979 -2.991 -1.093 1.00 0.40 C ATOM 1316 OG SER A 93 -2.830 -2.941 -1.934 1.00 1.41 O ATOM 0 H SER A 93 -2.670 -5.006 0.031 1.00 0.20 H new ATOM 0 HA SER A 93 -3.263 -2.182 0.730 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.621 -3.819 -1.393 1.00 0.40 H new ATOM 0 HB3 SER A 93 -4.562 -2.077 -1.208 1.00 0.40 H new ATOM 0 HG SER A 93 -2.470 -3.845 -2.050 1.00 1.41 H new ATOM 1322 N THR A 94 -5.030 -2.966 2.272 1.00 0.34 N ATOM 1323 CA THR A 94 -5.975 -3.464 3.248 1.00 0.38 C ATOM 1324 C THR A 94 -7.365 -2.904 3.013 1.00 0.42 C ATOM 1325 O THR A 94 -7.617 -1.713 3.178 1.00 0.49 O ATOM 1326 CB THR A 94 -5.514 -3.133 4.678 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.303 -3.841 4.982 1.00 0.45 O ATOM 1328 CG2 THR A 94 -6.589 -3.493 5.692 1.00 0.48 C ATOM 0 H THR A 94 -4.643 -2.047 2.486 1.00 0.34 H new ATOM 0 HA THR A 94 -6.017 -4.547 3.131 1.00 0.38 H new ATOM 0 HB THR A 94 -5.329 -2.060 4.736 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.059 -3.685 5.918 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.239 -3.250 6.695 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.496 -2.928 5.477 1.00 0.48 H new ATOM 0 HG23 THR A 94 -6.804 -4.560 5.632 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.253 -3.790 2.624 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.642 -3.459 2.414 1.00 0.50 C ATOM 1338 C PHE A 95 -10.466 -4.003 3.557 1.00 0.53 C ATOM 1339 O PHE A 95 -10.730 -5.202 3.590 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.129 -4.115 1.137 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.532 -3.742 0.743 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.627 -4.426 1.263 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.758 -2.709 -0.150 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.912 -4.082 0.898 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -13.042 -2.363 -0.516 1.00 1.13 C ATOM 1346 CZ PHE A 95 -14.119 -3.050 0.009 1.00 1.23 C ATOM 0 H PHE A 95 -8.029 -4.768 2.443 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.743 -2.376 2.351 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.453 -3.847 0.325 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.073 -5.197 1.255 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.469 -5.235 1.960 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.920 -2.168 -0.565 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.754 -4.620 1.308 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -13.205 -1.555 -1.213 1.00 1.13 H new ATOM 0 HZ PHE A 95 -15.124 -2.778 -0.278 1.00 1.23 H new ATOM 1356 N THR A 96 -10.883 -3.162 4.475 1.00 0.60 N ATOM 1357 CA THR A 96 -11.682 -3.638 5.583 1.00 0.69 C ATOM 1358 C THR A 96 -13.146 -3.752 5.195 1.00 0.86 C ATOM 1359 O THR A 96 -13.831 -2.751 4.999 1.00 1.02 O ATOM 1360 CB THR A 96 -11.542 -2.746 6.825 1.00 0.79 C ATOM 1361 OG1 THR A 96 -11.388 -1.372 6.459 1.00 1.39 O ATOM 1362 CG2 THR A 96 -10.355 -3.184 7.639 1.00 0.74 C ATOM 0 H THR A 96 -10.687 -2.161 4.479 1.00 0.60 H new ATOM 0 HA THR A 96 -11.302 -4.628 5.835 1.00 0.69 H new ATOM 0 HB THR A 96 -12.452 -2.846 7.417 1.00 0.79 H new ATOM 0 HG1 THR A 96 -12.225 -1.040 6.073 1.00 1.39 H new ATOM 0 HG21 THR A 96 -10.262 -2.547 8.518 1.00 0.74 H new ATOM 0 HG22 THR A 96 -10.491 -4.219 7.953 1.00 0.74 H new ATOM 0 HG23 THR A 96 -9.451 -3.104 7.036 1.00 0.74 H new ATOM 1440 N ALA A 103 -9.371 -8.508 5.726 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.329 -7.514 4.668 1.00 0.61 C ATOM 1442 C ALA A 103 -8.908 -8.102 3.346 1.00 0.58 C ATOM 1443 O ALA A 103 -8.139 -9.059 3.265 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.405 -6.377 5.053 1.00 0.52 C ATOM 0 HA ALA A 103 -10.342 -7.132 4.544 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.383 -5.639 4.251 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -8.767 -5.908 5.968 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.400 -6.765 5.217 1.00 0.52 H new ATOM 1450 N THR A 104 -9.442 -7.488 2.322 1.00 0.53 N ATOM 1451 CA THR A 104 -9.154 -7.818 0.954 1.00 0.50 C ATOM 1452 C THR A 104 -7.849 -7.143 0.551 1.00 0.43 C ATOM 1453 O THR A 104 -7.680 -5.948 0.780 1.00 0.51 O ATOM 1454 CB THR A 104 -10.339 -7.352 0.093 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.208 -8.458 -0.189 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.896 -6.687 -1.191 1.00 0.56 C ATOM 0 H THR A 104 -10.109 -6.722 2.422 1.00 0.53 H new ATOM 0 HA THR A 104 -9.028 -8.892 0.814 1.00 0.50 H new ATOM 0 HB THR A 104 -10.881 -6.601 0.668 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.961 -8.151 -0.736 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.772 -6.377 -1.761 1.00 0.56 H new ATOM 0 HG22 THR A 104 -9.288 -5.813 -0.957 1.00 0.56 H new ATOM 0 HG23 THR A 104 -9.309 -7.391 -1.781 1.00 0.56 H new ATOM 1464 N VAL A 105 -6.916 -7.903 -0.010 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.559 -7.401 -0.160 1.00 0.28 C ATOM 1466 C VAL A 105 -4.984 -7.566 -1.565 1.00 0.25 C ATOM 1467 O VAL A 105 -5.089 -8.622 -2.187 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.604 -8.092 0.837 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.178 -7.628 0.634 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.023 -7.841 2.276 1.00 0.35 C ATOM 0 H VAL A 105 -7.070 -8.848 -0.361 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.633 -6.333 0.043 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.660 -9.163 0.642 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.527 -8.130 1.349 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.858 -7.869 -0.380 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.121 -6.550 0.786 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.328 -8.342 2.950 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.013 -6.770 2.476 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.028 -8.231 2.436 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.381 -6.481 -2.036 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.493 -6.491 -3.192 1.00 0.17 C ATOM 1482 C LEU A 106 -2.047 -6.436 -2.696 1.00 0.15 C ATOM 1483 O LEU A 106 -1.607 -5.390 -2.211 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.767 -5.275 -4.097 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.774 -5.472 -5.235 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.395 -6.676 -6.081 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.194 -5.619 -4.688 1.00 0.26 C ATOM 0 H LEU A 106 -4.497 -5.557 -1.620 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.666 -7.399 -3.770 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -4.120 -4.457 -3.469 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.820 -4.956 -4.533 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.748 -4.586 -5.869 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.122 -6.800 -6.884 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.404 -6.523 -6.509 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.387 -7.570 -5.458 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -6.890 -5.758 -5.515 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.241 -6.483 -4.025 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.465 -4.721 -4.133 1.00 0.26 H new ATOM 1499 N THR A 107 -1.314 -7.544 -2.798 1.00 0.15 N ATOM 1500 CA THR A 107 0.031 -7.607 -2.219 1.00 0.12 C ATOM 1501 C THR A 107 1.124 -7.660 -3.281 1.00 0.12 C ATOM 1502 O THR A 107 0.977 -8.290 -4.329 1.00 0.19 O ATOM 1503 CB THR A 107 0.229 -8.828 -1.299 1.00 0.17 C ATOM 1504 OG1 THR A 107 -0.973 -9.116 -0.583 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.374 -8.581 -0.307 1.00 0.24 C ATOM 0 H THR A 107 -1.620 -8.397 -3.267 1.00 0.15 H new ATOM 0 HA THR A 107 0.116 -6.688 -1.639 1.00 0.12 H new ATOM 0 HB THR A 107 0.484 -9.683 -1.926 1.00 0.17 H new ATOM 0 HG1 THR A 107 -0.831 -9.895 -0.005 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.496 -9.455 0.332 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.298 -8.401 -0.856 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.142 -7.711 0.308 1.00 0.24 H new ATOM 1513 N TYR A 108 2.213 -6.985 -2.978 1.00 0.13 N ATOM 1514 CA TYR A 108 3.445 -7.063 -3.741 1.00 0.15 C ATOM 1515 C TYR A 108 4.573 -7.370 -2.770 1.00 0.17 C ATOM 1516 O TYR A 108 4.548 -6.889 -1.648 1.00 0.20 O ATOM 1517 CB TYR A 108 3.699 -5.733 -4.458 1.00 0.17 C ATOM 1518 CG TYR A 108 5.160 -5.372 -4.603 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.764 -4.523 -3.685 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.926 -5.859 -5.654 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.089 -4.170 -3.804 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.258 -5.512 -5.781 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.835 -4.667 -4.854 1.00 0.20 C ATOM 1524 OH TYR A 108 9.159 -4.319 -4.980 1.00 0.23 O ATOM 0 H TYR A 108 2.270 -6.354 -2.179 1.00 0.13 H new ATOM 0 HA TYR A 108 3.381 -7.845 -4.498 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.248 -5.776 -5.449 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.193 -4.937 -3.912 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.183 -4.132 -2.862 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.475 -6.517 -6.382 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.542 -3.508 -3.081 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.844 -5.900 -6.601 1.00 0.21 H new ATOM 0 HH TYR A 108 9.538 -4.755 -5.771 1.00 0.23 H new ATOM 1534 N ASP A 109 5.551 -8.154 -3.172 1.00 0.17 N ATOM 1535 CA ASP A 109 6.639 -8.482 -2.266 1.00 0.19 C ATOM 1536 C ASP A 109 7.915 -7.784 -2.706 1.00 0.23 C ATOM 1537 O ASP A 109 8.364 -7.947 -3.840 1.00 0.29 O ATOM 1538 CB ASP A 109 6.865 -9.989 -2.203 1.00 0.23 C ATOM 1539 CG ASP A 109 7.529 -10.412 -0.907 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.481 -9.728 -0.474 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.102 -11.427 -0.316 1.00 1.85 O ATOM 0 H ASP A 109 5.619 -8.571 -4.101 1.00 0.17 H new ATOM 0 HA ASP A 109 6.365 -8.136 -1.269 1.00 0.19 H new ATOM 0 HB2 ASP A 109 5.909 -10.503 -2.305 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.484 -10.298 -3.045 1.00 0.23 H new ATOM 1546 N TRP A 110 8.487 -6.992 -1.811 1.00 0.24 N ATOM 1547 CA TRP A 110 9.704 -6.255 -2.116 1.00 0.30 C ATOM 1548 C TRP A 110 10.931 -7.153 -1.974 1.00 0.43 C ATOM 1549 O TRP A 110 11.949 -6.941 -2.633 1.00 0.52 O ATOM 1550 CB TRP A 110 9.810 -5.006 -1.219 1.00 0.26 C ATOM 1551 CG TRP A 110 11.210 -4.492 -1.037 1.00 0.30 C ATOM 1552 CD1 TRP A 110 12.018 -4.691 0.048 1.00 0.74 C ATOM 1553 CD2 TRP A 110 11.967 -3.700 -1.960 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.228 -4.072 -0.145 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.221 -3.457 -1.370 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.709 -3.173 -3.228 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.211 -2.712 -2.003 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.694 -2.433 -3.856 1.00 2.91 C ATOM 1559 CH2 TRP A 110 13.930 -2.209 -3.243 1.00 2.54 C ATOM 0 H TRP A 110 8.128 -6.843 -0.868 1.00 0.24 H new ATOM 0 HA TRP A 110 9.662 -5.922 -3.153 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.197 -4.213 -1.647 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.391 -5.240 -0.240 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.744 -5.253 0.929 1.00 0.74 H new ATOM 0 HE1 TRP A 110 14.005 -4.070 0.515 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.757 -3.341 -3.709 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.167 -2.537 -1.532 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.505 -2.021 -4.836 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.679 -1.627 -3.759 1.00 2.54 H new ATOM 1570 N SER A 111 10.823 -8.173 -1.140 1.00 0.53 N ATOM 1571 CA SER A 111 11.938 -9.074 -0.913 1.00 0.69 C ATOM 1572 C SER A 111 11.731 -10.375 -1.675 1.00 0.68 C ATOM 1573 O SER A 111 12.684 -10.993 -2.160 1.00 0.85 O ATOM 1574 CB SER A 111 12.112 -9.332 0.586 1.00 0.82 C ATOM 1575 OG SER A 111 13.247 -10.139 0.849 1.00 1.56 O ATOM 0 H SER A 111 9.979 -8.397 -0.612 1.00 0.53 H new ATOM 0 HA SER A 111 12.851 -8.609 -1.285 1.00 0.69 H new ATOM 0 HB2 SER A 111 12.212 -8.381 1.110 1.00 0.82 H new ATOM 0 HB3 SER A 111 11.219 -9.820 0.978 1.00 0.82 H new ATOM 0 HG SER A 111 13.329 -10.283 1.815 1.00 1.56 H new