USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1037 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: B 27 GLN : amide:sc= -0.146 X(o=-0.033,f=0.079) USER MOD Set 1.2: B 64 SER OG : rot 63:sc= 0.113 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.153 X(o=-0.015,f=0.083) USER MOD Set 2.2: A 64 SER OG : rot 63:sc= 0.138 USER MOD Single : A 17 ASN : amide:sc= -1.99 X(o=-2,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.11) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 1.21 (180deg=1.15) USER MOD Single : A 23 TYR OH : rot -92:sc= -1.64! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.23! C(o=-3.2!,f=-6.3!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 43 GLN : amide:sc= -1.94 X(o=-1.9,f=-2!) USER MOD Single : A 45 SER OG : rot 86:sc= 1.14 USER MOD Single : A 51 GLN : amide:sc= 0.338 X(o=0.34,f=-0.16) USER MOD Single : A 52 CYS SG : rot 61:sc= 0.405 USER MOD Single : A 55 THR OG1 : rot 75:sc= 1.12 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.434 K(o=0.43,f=-0.28) USER MOD Single : A 71 THR OG1 : rot 85:sc= 1.39 USER MOD Single : A 81 THR OG1 : rot -117:sc= 0.0925 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -164:sc= -0.0476 (180deg=-0.4) USER MOD Single : B 17 ASN : amide:sc= -1.96 X(o=-2,f=-1.8) USER MOD Single : B 18 LYS NZ :NH3+ -168:sc= 1.17 (180deg=1.12) USER MOD Single : B 19 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : B 23 TYR OH : rot 122:sc= -1.67! USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 GLN : amide:sc= -3.34! C(o=-3.3!,f=-6.2!) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0.0326 USER MOD Single : B 43 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.9!) USER MOD Single : B 45 SER OG : rot 85:sc= 1.17 USER MOD Single : B 51 GLN : amide:sc= 0.299 X(o=0.3,f=-0.19) USER MOD Single : B 52 CYS SG : rot 67:sc= 0.404 USER MOD Single : B 55 THR OG1 : rot 76:sc= 1.13 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= 0.368 K(o=0.37,f=-0.27) USER MOD Single : B 71 THR OG1 : rot 73:sc= 1.33 USER MOD Single : B 81 THR OG1 : rot -117:sc= 0.0993 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 13.625 6.272 -3.582 1.00 1.26 N ATOM 21 CA ASP A 16 12.443 5.486 -3.911 1.00 1.13 C ATOM 22 C ASP A 16 11.424 5.572 -2.789 1.00 0.92 C ATOM 23 O ASP A 16 11.677 5.112 -1.674 1.00 1.01 O ATOM 24 CB ASP A 16 12.802 4.013 -4.142 1.00 1.39 C ATOM 25 CG ASP A 16 13.773 3.805 -5.286 1.00 1.84 C ATOM 26 OD1 ASP A 16 13.343 3.860 -6.457 1.00 2.40 O ATOM 27 OD2 ASP A 16 14.968 3.564 -5.020 1.00 2.28 O ATOM 0 HA ASP A 16 12.022 5.897 -4.829 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.234 3.604 -3.229 1.00 1.39 H new ATOM 0 HB3 ASP A 16 11.890 3.451 -4.342 1.00 1.39 H new ATOM 32 N ASN A 17 10.270 6.154 -3.076 1.00 0.78 N ATOM 33 CA ASN A 17 9.203 6.224 -2.090 1.00 0.74 C ATOM 34 C ASN A 17 8.431 4.911 -2.067 1.00 0.61 C ATOM 35 O ASN A 17 7.579 4.696 -1.214 1.00 0.65 O ATOM 36 CB ASN A 17 8.262 7.394 -2.385 1.00 0.92 C ATOM 37 CG ASN A 17 7.347 7.699 -1.213 1.00 1.56 C ATOM 38 OD1 ASN A 17 7.719 8.434 -0.301 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.149 7.139 -1.229 1.00 1.71 N ATOM 0 H ASN A 17 10.049 6.581 -3.975 1.00 0.78 H new ATOM 0 HA ASN A 17 9.648 6.391 -1.109 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.850 8.280 -2.626 1.00 0.92 H new ATOM 0 HB3 ASN A 17 7.660 7.162 -3.264 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.495 7.311 -0.465 1.00 1.71 H new ATOM 0 HD22 ASN A 17 5.879 6.535 -2.005 1.00 1.71 H new ATOM 46 N LYS A 18 8.758 4.022 -2.997 1.00 0.59 N ATOM 47 CA LYS A 18 8.084 2.732 -3.087 1.00 0.62 C ATOM 48 C LYS A 18 8.320 1.909 -1.824 1.00 0.53 C ATOM 49 O LYS A 18 7.382 1.349 -1.257 1.00 0.48 O ATOM 50 CB LYS A 18 8.557 1.950 -4.317 1.00 0.82 C ATOM 51 CG LYS A 18 8.449 2.717 -5.628 1.00 1.09 C ATOM 52 CD LYS A 18 7.105 3.418 -5.776 1.00 1.04 C ATOM 53 CE LYS A 18 6.937 3.986 -7.175 1.00 1.44 C ATOM 54 NZ LYS A 18 5.960 5.108 -7.216 1.00 1.90 N ATOM 0 H LYS A 18 9.484 4.170 -3.698 1.00 0.59 H new ATOM 0 HA LYS A 18 7.015 2.923 -3.187 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.595 1.654 -4.167 1.00 0.82 H new ATOM 0 HB3 LYS A 18 7.973 1.033 -4.397 1.00 0.82 H new ATOM 0 HG2 LYS A 18 9.249 3.455 -5.682 1.00 1.09 H new ATOM 0 HG3 LYS A 18 8.592 2.030 -6.462 1.00 1.09 H new ATOM 0 HD2 LYS A 18 6.299 2.715 -5.566 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.027 4.220 -5.042 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.903 4.335 -7.541 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.607 3.195 -7.849 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 5.635 5.250 -8.194 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 5.146 4.882 -6.610 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 6.416 5.978 -6.873 1.00 1.90 H new ATOM 68 N LYS A 19 9.570 1.850 -1.374 1.00 0.60 N ATOM 69 CA LYS A 19 9.902 1.122 -0.154 1.00 0.61 C ATOM 70 C LYS A 19 9.263 1.792 1.055 1.00 0.53 C ATOM 71 O LYS A 19 8.849 1.130 2.006 1.00 0.55 O ATOM 72 CB LYS A 19 11.418 1.045 0.054 1.00 0.77 C ATOM 73 CG LYS A 19 12.083 2.399 0.270 1.00 0.82 C ATOM 74 CD LYS A 19 13.257 2.300 1.231 1.00 1.19 C ATOM 75 CE LYS A 19 14.309 1.331 0.729 1.00 1.06 C ATOM 76 NZ LYS A 19 15.394 1.121 1.721 1.00 1.49 N ATOM 0 H LYS A 19 10.365 2.295 -1.833 1.00 0.60 H new ATOM 0 HA LYS A 19 9.512 0.110 -0.260 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.625 0.409 0.915 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.870 0.564 -0.814 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.427 2.792 -0.686 1.00 0.82 H new ATOM 0 HG3 LYS A 19 11.351 3.106 0.661 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.703 3.286 1.364 1.00 1.19 H new ATOM 0 HD3 LYS A 19 12.901 1.977 2.209 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.840 0.375 0.498 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.736 1.709 -0.200 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 16.266 0.842 1.228 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.560 2.003 2.246 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.117 0.370 2.385 1.00 1.49 H new ATOM 90 N ARG A 20 9.184 3.116 1.002 1.00 0.54 N ATOM 91 CA ARG A 20 8.638 3.891 2.100 1.00 0.58 C ATOM 92 C ARG A 20 7.137 3.682 2.180 1.00 0.54 C ATOM 93 O ARG A 20 6.562 3.606 3.264 1.00 0.61 O ATOM 94 CB ARG A 20 8.983 5.368 1.930 1.00 0.70 C ATOM 95 CG ARG A 20 10.480 5.621 1.823 1.00 0.82 C ATOM 96 CD ARG A 20 10.792 7.107 1.860 1.00 1.01 C ATOM 97 NE ARG A 20 12.230 7.372 1.866 1.00 1.31 N ATOM 98 CZ ARG A 20 12.759 8.589 1.754 1.00 1.45 C ATOM 99 NH1 ARG A 20 11.972 9.649 1.604 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.076 8.744 1.795 1.00 2.34 N ATOM 0 H ARG A 20 9.493 3.673 0.206 1.00 0.54 H new ATOM 0 HA ARG A 20 9.082 3.552 3.036 1.00 0.58 H new ATOM 0 HB2 ARG A 20 8.491 5.750 1.035 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.585 5.928 2.776 1.00 0.70 H new ATOM 0 HG2 ARG A 20 10.995 5.118 2.641 1.00 0.82 H new ATOM 0 HG3 ARG A 20 10.858 5.191 0.896 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.339 7.593 0.996 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.340 7.549 2.748 1.00 1.01 H new ATOM 0 HE ARG A 20 12.864 6.579 1.961 1.00 1.31 H new ATOM 0 HH11 ARG A 20 10.959 9.532 1.574 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.381 10.580 1.519 1.00 1.32 H new ATOM 0 HH21 ARG A 20 14.682 7.932 1.912 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.483 9.675 1.709 1.00 2.34 H new ATOM 114 N LEU A 21 6.526 3.578 1.014 1.00 0.54 N ATOM 115 CA LEU A 21 5.126 3.216 0.887 1.00 0.59 C ATOM 116 C LEU A 21 4.862 1.884 1.587 1.00 0.57 C ATOM 117 O LEU A 21 3.935 1.763 2.385 1.00 0.64 O ATOM 118 CB LEU A 21 4.783 3.149 -0.612 1.00 0.64 C ATOM 119 CG LEU A 21 3.524 2.374 -1.022 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.297 2.862 -0.275 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.303 2.516 -2.517 1.00 0.61 C ATOM 0 H LEU A 21 6.991 3.744 0.121 1.00 0.54 H new ATOM 0 HA LEU A 21 4.490 3.961 1.366 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.682 4.170 -0.979 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.633 2.706 -1.131 1.00 0.64 H new ATOM 0 HG LEU A 21 3.676 1.326 -0.765 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.426 2.289 -0.593 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.447 2.730 0.797 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.135 3.918 -0.491 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.408 1.965 -2.807 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.177 3.569 -2.768 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.164 2.116 -3.052 1.00 0.61 H new ATOM 133 N ALA A 22 5.717 0.908 1.315 1.00 0.56 N ATOM 134 CA ALA A 22 5.558 -0.432 1.858 1.00 0.63 C ATOM 135 C ALA A 22 5.629 -0.457 3.385 1.00 0.51 C ATOM 136 O ALA A 22 4.669 -0.858 4.045 1.00 0.44 O ATOM 137 CB ALA A 22 6.608 -1.357 1.274 1.00 0.83 C ATOM 0 H ALA A 22 6.535 1.022 0.716 1.00 0.56 H new ATOM 0 HA ALA A 22 4.563 -0.778 1.576 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.481 -2.358 1.686 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.498 -1.394 0.190 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.601 -0.985 1.525 1.00 0.83 H new ATOM 143 N TYR A 23 6.756 -0.025 3.948 1.00 0.62 N ATOM 144 CA TYR A 23 6.978 -0.163 5.386 1.00 0.76 C ATOM 145 C TYR A 23 5.967 0.662 6.176 1.00 0.67 C ATOM 146 O TYR A 23 5.490 0.235 7.226 1.00 0.67 O ATOM 147 CB TYR A 23 8.420 0.227 5.775 1.00 1.11 C ATOM 148 CG TYR A 23 8.625 1.698 6.081 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.319 2.227 7.333 1.00 1.46 C ATOM 150 CD2 TYR A 23 9.115 2.554 5.113 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.494 3.569 7.601 1.00 1.82 C ATOM 152 CE2 TYR A 23 9.289 3.899 5.373 1.00 2.48 C ATOM 153 CZ TYR A 23 8.979 4.401 6.616 1.00 2.23 C ATOM 154 OH TYR A 23 9.138 5.742 6.867 1.00 2.99 O ATOM 0 H TYR A 23 7.520 0.418 3.438 1.00 0.62 H new ATOM 0 HA TYR A 23 6.837 -1.214 5.639 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.715 -0.355 6.648 1.00 1.11 H new ATOM 0 HB3 TYR A 23 9.089 -0.056 4.962 1.00 1.11 H new ATOM 0 HD1 TYR A 23 7.939 1.576 8.106 1.00 1.46 H new ATOM 0 HD2 TYR A 23 9.366 2.165 4.137 1.00 1.86 H new ATOM 0 HE1 TYR A 23 8.252 3.965 8.576 1.00 1.82 H new ATOM 0 HE2 TYR A 23 9.667 4.555 4.603 1.00 2.48 H new ATOM 0 HH TYR A 23 8.325 6.223 6.604 1.00 2.99 H new ATOM 164 N ALA A 24 5.642 1.843 5.662 1.00 0.72 N ATOM 165 CA ALA A 24 4.703 2.734 6.333 1.00 0.87 C ATOM 166 C ALA A 24 3.322 2.105 6.400 1.00 0.75 C ATOM 167 O ALA A 24 2.607 2.250 7.395 1.00 0.84 O ATOM 168 CB ALA A 24 4.642 4.077 5.632 1.00 1.14 C ATOM 0 H ALA A 24 6.014 2.205 4.784 1.00 0.72 H new ATOM 0 HA ALA A 24 5.057 2.896 7.351 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.935 4.726 6.150 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.630 4.537 5.640 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.317 3.935 4.601 1.00 1.14 H new ATOM 174 N ILE A 25 2.952 1.409 5.335 1.00 0.62 N ATOM 175 CA ILE A 25 1.720 0.644 5.319 1.00 0.71 C ATOM 176 C ILE A 25 1.792 -0.475 6.349 1.00 0.61 C ATOM 177 O ILE A 25 0.847 -0.693 7.100 1.00 0.66 O ATOM 178 CB ILE A 25 1.434 0.063 3.917 1.00 0.80 C ATOM 179 CG1 ILE A 25 0.978 1.176 2.976 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.392 -1.042 3.974 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.594 0.681 1.603 1.00 0.89 C ATOM 0 H ILE A 25 3.491 1.360 4.470 1.00 0.62 H new ATOM 0 HA ILE A 25 0.900 1.316 5.573 1.00 0.71 H new ATOM 0 HB ILE A 25 2.357 -0.374 3.537 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.126 1.690 3.420 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.778 1.910 2.879 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.215 -1.428 2.970 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.751 -1.848 4.614 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.539 -0.644 4.379 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.280 1.524 0.987 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.451 0.192 1.140 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.227 -0.031 1.689 1.00 0.89 H new ATOM 193 N ILE A 26 2.931 -1.158 6.394 1.00 0.53 N ATOM 194 CA ILE A 26 3.153 -2.217 7.370 1.00 0.53 C ATOM 195 C ILE A 26 2.955 -1.700 8.795 1.00 0.51 C ATOM 196 O ILE A 26 2.272 -2.334 9.595 1.00 0.53 O ATOM 197 CB ILE A 26 4.569 -2.825 7.244 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.740 -3.497 5.877 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.825 -3.817 8.372 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.118 -4.087 5.652 1.00 0.78 C ATOM 0 H ILE A 26 3.716 -0.996 5.764 1.00 0.53 H new ATOM 0 HA ILE A 26 2.419 -2.995 7.161 1.00 0.53 H new ATOM 0 HB ILE A 26 5.302 -2.023 7.325 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.996 -4.287 5.776 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.536 -2.765 5.095 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.826 -4.236 8.268 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.743 -3.306 9.331 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.089 -4.620 8.324 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.161 -4.544 4.664 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.867 -3.298 5.720 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.318 -4.844 6.411 1.00 0.78 H new ATOM 212 N GLN A 27 3.537 -0.541 9.094 1.00 0.54 N ATOM 213 CA GLN A 27 3.456 0.037 10.436 1.00 0.62 C ATOM 214 C GLN A 27 2.003 0.213 10.866 1.00 0.55 C ATOM 215 O GLN A 27 1.598 -0.250 11.937 1.00 0.57 O ATOM 216 CB GLN A 27 4.171 1.392 10.497 1.00 0.79 C ATOM 217 CG GLN A 27 5.644 1.340 10.117 1.00 0.89 C ATOM 218 CD GLN A 27 6.413 0.273 10.871 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.927 0.513 11.964 1.00 1.58 O ATOM 220 NE2 GLN A 27 6.516 -0.904 10.279 1.00 1.34 N ATOM 0 H GLN A 27 4.070 0.017 8.427 1.00 0.54 H new ATOM 0 HA GLN A 27 3.950 -0.655 11.118 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.661 2.089 9.833 1.00 0.79 H new ATOM 0 HB3 GLN A 27 4.082 1.791 11.507 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.731 1.155 9.046 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.098 2.312 10.310 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.074 -1.060 9.373 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.037 -1.657 10.728 1.00 1.34 H new ATOM 229 N PHE A 28 1.221 0.866 10.017 1.00 0.52 N ATOM 230 CA PHE A 28 -0.178 1.133 10.317 1.00 0.51 C ATOM 231 C PHE A 28 -1.008 -0.147 10.275 1.00 0.43 C ATOM 232 O PHE A 28 -1.777 -0.424 11.191 1.00 0.42 O ATOM 233 CB PHE A 28 -0.744 2.160 9.333 1.00 0.60 C ATOM 234 CG PHE A 28 -2.238 2.320 9.409 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.853 2.701 10.591 1.00 1.62 C ATOM 236 CD2 PHE A 28 -3.028 2.074 8.297 1.00 1.60 C ATOM 237 CE1 PHE A 28 -4.225 2.836 10.661 1.00 1.95 C ATOM 238 CE2 PHE A 28 -4.401 2.206 8.362 1.00 1.98 C ATOM 239 CZ PHE A 28 -5.001 2.588 9.547 1.00 1.83 C ATOM 0 H PHE A 28 1.533 1.221 9.113 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.233 1.538 11.327 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.275 3.126 9.522 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.471 1.866 8.319 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.252 2.894 11.467 1.00 1.62 H new ATOM 0 HD2 PHE A 28 -2.564 1.775 7.369 1.00 1.60 H new ATOM 0 HE1 PHE A 28 -4.691 3.136 11.588 1.00 1.95 H new ATOM 0 HE2 PHE A 28 -5.005 2.011 7.488 1.00 1.98 H new ATOM 0 HZ PHE A 28 -6.075 2.692 9.601 1.00 1.83 H new ATOM 249 N LEU A 29 -0.837 -0.931 9.219 1.00 0.45 N ATOM 250 CA LEU A 29 -1.628 -2.139 9.033 1.00 0.45 C ATOM 251 C LEU A 29 -1.341 -3.173 10.112 1.00 0.45 C ATOM 252 O LEU A 29 -2.211 -3.966 10.450 1.00 0.48 O ATOM 253 CB LEU A 29 -1.401 -2.742 7.646 1.00 0.53 C ATOM 254 CG LEU A 29 -2.390 -2.290 6.563 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.362 -0.778 6.381 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.086 -2.991 5.252 1.00 0.70 C ATOM 0 H LEU A 29 -0.158 -0.752 8.479 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.675 -1.849 9.116 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.392 -2.491 7.320 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.449 -3.828 7.728 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.394 -2.565 6.886 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.074 -0.491 5.607 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.632 -0.294 7.319 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.360 -0.465 6.086 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.794 -2.663 4.491 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.072 -2.746 4.935 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.173 -4.069 5.387 1.00 0.70 H new ATOM 268 N HIS A 30 -0.130 -3.162 10.655 1.00 0.47 N ATOM 269 CA HIS A 30 0.218 -4.064 11.748 1.00 0.53 C ATOM 270 C HIS A 30 -0.574 -3.695 13.000 1.00 0.47 C ATOM 271 O HIS A 30 -1.111 -4.564 13.687 1.00 0.49 O ATOM 272 CB HIS A 30 1.723 -4.011 12.034 1.00 0.67 C ATOM 273 CG HIS A 30 2.179 -4.990 13.073 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.634 -4.611 14.317 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.259 -6.341 13.042 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.971 -5.685 15.005 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.752 -6.747 14.256 1.00 1.41 N ATOM 0 H HIS A 30 0.624 -2.543 10.359 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.038 -5.082 11.455 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.266 -4.200 11.108 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.986 -3.004 12.358 1.00 0.67 H new ATOM 0 HD2 HIS A 30 1.986 -6.980 12.215 1.00 1.18 H new ATOM 0 HE1 HIS A 30 3.361 -5.693 16.012 1.00 1.37 H new ATOM 0 HE2 HIS A 30 2.922 -7.714 14.534 1.00 1.41 H new ATOM 286 N ASP A 31 -0.655 -2.397 13.275 1.00 0.48 N ATOM 287 CA ASP A 31 -1.435 -1.901 14.406 1.00 0.51 C ATOM 288 C ASP A 31 -2.913 -2.157 14.167 1.00 0.45 C ATOM 289 O ASP A 31 -3.623 -2.643 15.043 1.00 0.49 O ATOM 290 CB ASP A 31 -1.192 -0.401 14.609 1.00 0.63 C ATOM 291 CG ASP A 31 -1.947 0.155 15.803 1.00 1.24 C ATOM 292 OD1 ASP A 31 -1.403 0.108 16.925 1.00 1.79 O ATOM 293 OD2 ASP A 31 -3.081 0.646 15.626 1.00 1.98 O ATOM 0 H ASP A 31 -0.191 -1.669 12.731 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.119 -2.430 15.305 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.125 -0.224 14.744 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.493 0.137 13.710 1.00 0.63 H new ATOM 298 N GLN A 32 -3.354 -1.844 12.956 1.00 0.42 N ATOM 299 CA GLN A 32 -4.733 -2.063 12.540 1.00 0.43 C ATOM 300 C GLN A 32 -5.108 -3.542 12.638 1.00 0.38 C ATOM 301 O GLN A 32 -6.224 -3.883 13.030 1.00 0.43 O ATOM 302 CB GLN A 32 -4.918 -1.530 11.108 1.00 0.52 C ATOM 303 CG GLN A 32 -6.224 -1.929 10.428 1.00 0.57 C ATOM 304 CD GLN A 32 -6.179 -3.315 9.801 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.190 -4.014 9.743 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.009 -3.724 9.323 1.00 1.31 N ATOM 0 H GLN A 32 -2.765 -1.430 12.233 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.402 -1.521 13.209 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.858 -0.442 11.132 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.087 -1.882 10.497 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -7.031 -1.895 11.160 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.462 -1.197 9.657 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.191 -3.118 9.388 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -4.928 -4.644 8.891 1.00 1.31 H new ATOM 315 N LEU A 33 -4.169 -4.413 12.285 1.00 0.36 N ATOM 316 CA LEU A 33 -4.394 -5.852 12.329 1.00 0.42 C ATOM 317 C LEU A 33 -4.646 -6.287 13.768 1.00 0.46 C ATOM 318 O LEU A 33 -5.582 -7.033 14.051 1.00 0.54 O ATOM 319 CB LEU A 33 -3.177 -6.593 11.755 1.00 0.53 C ATOM 320 CG LEU A 33 -3.477 -7.848 10.921 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.195 -8.905 11.746 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.291 -7.483 9.689 1.00 0.83 C ATOM 0 H LEU A 33 -3.239 -4.144 11.963 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.268 -6.098 11.725 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.613 -5.896 11.135 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.528 -6.879 12.583 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.526 -8.272 10.599 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.392 -9.779 11.125 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.570 -9.193 12.591 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.138 -8.501 12.113 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.495 -8.383 9.108 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.232 -7.028 9.997 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.729 -6.777 9.078 1.00 0.83 H new ATOM 334 N ARG A 34 -3.813 -5.795 14.673 1.00 0.47 N ATOM 335 CA ARG A 34 -3.951 -6.105 16.089 1.00 0.58 C ATOM 336 C ARG A 34 -5.210 -5.458 16.659 1.00 0.58 C ATOM 337 O ARG A 34 -5.873 -6.019 17.529 1.00 0.69 O ATOM 338 CB ARG A 34 -2.719 -5.614 16.855 1.00 0.69 C ATOM 339 CG ARG A 34 -2.711 -6.008 18.324 1.00 1.40 C ATOM 340 CD ARG A 34 -2.608 -7.514 18.496 1.00 1.45 C ATOM 341 NE ARG A 34 -2.607 -7.914 19.902 1.00 2.17 N ATOM 342 CZ ARG A 34 -2.249 -9.126 20.327 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.849 -10.046 19.457 1.00 2.19 N ATOM 344 NH2 ARG A 34 -2.291 -9.418 21.622 1.00 3.49 N ATOM 0 H ARG A 34 -3.032 -5.178 14.451 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.035 -7.186 16.201 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -1.824 -6.012 16.377 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.665 -4.528 16.780 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.873 -5.525 18.827 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.621 -5.647 18.803 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.443 -7.994 17.985 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -1.695 -7.870 18.019 1.00 1.45 H new ATOM 0 HE ARG A 34 -2.897 -7.227 20.598 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -1.815 -9.826 18.462 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.576 -10.973 19.784 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -2.598 -8.714 22.294 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -2.017 -10.346 21.945 1.00 3.49 H new ATOM 358 N HIS A 35 -5.528 -4.275 16.151 1.00 0.53 N ATOM 359 CA HIS A 35 -6.668 -3.507 16.633 1.00 0.58 C ATOM 360 C HIS A 35 -7.989 -4.117 16.169 1.00 0.58 C ATOM 361 O HIS A 35 -8.983 -4.093 16.894 1.00 0.74 O ATOM 362 CB HIS A 35 -6.562 -2.057 16.152 1.00 0.59 C ATOM 363 CG HIS A 35 -7.582 -1.138 16.752 1.00 1.15 C ATOM 364 ND1 HIS A 35 -8.637 -0.612 16.037 1.00 1.98 N ATOM 365 CD2 HIS A 35 -7.698 -0.645 18.005 1.00 1.61 C ATOM 366 CE1 HIS A 35 -9.356 0.161 16.826 1.00 2.68 C ATOM 367 NE2 HIS A 35 -8.809 0.158 18.025 1.00 2.42 N ATOM 0 H HIS A 35 -5.008 -3.823 15.399 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.653 -3.530 17.723 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -5.566 -1.680 16.386 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -6.664 -2.037 15.067 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -7.038 -0.846 18.836 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -10.244 0.705 16.539 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -9.156 0.670 18.836 1.00 2.42 H new ATOM 376 N GLY A 36 -7.990 -4.657 14.957 1.00 0.49 N ATOM 377 CA GLY A 36 -9.193 -5.251 14.407 1.00 0.51 C ATOM 378 C GLY A 36 -9.917 -4.311 13.466 1.00 0.47 C ATOM 379 O GLY A 36 -11.139 -4.183 13.525 1.00 0.53 O ATOM 0 H GLY A 36 -7.176 -4.694 14.343 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.934 -6.166 13.875 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.861 -5.534 15.221 1.00 0.51 H new ATOM 383 N GLY A 37 -9.155 -3.644 12.603 1.00 0.41 N ATOM 384 CA GLY A 37 -9.734 -2.680 11.683 1.00 0.40 C ATOM 385 C GLY A 37 -10.669 -3.318 10.672 1.00 0.39 C ATOM 386 O GLY A 37 -11.873 -3.060 10.683 1.00 0.52 O ATOM 0 H GLY A 37 -8.144 -3.755 12.524 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.280 -1.926 12.250 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.933 -2.163 11.154 1.00 0.40 H new ATOM 390 N LEU A 38 -10.119 -4.152 9.800 1.00 0.36 N ATOM 391 CA LEU A 38 -10.917 -4.812 8.771 1.00 0.41 C ATOM 392 C LEU A 38 -11.625 -6.046 9.328 1.00 0.49 C ATOM 393 O LEU A 38 -11.571 -6.313 10.527 1.00 0.83 O ATOM 394 CB LEU A 38 -10.051 -5.194 7.559 1.00 0.44 C ATOM 395 CG LEU A 38 -9.739 -4.063 6.565 1.00 0.44 C ATOM 396 CD1 LEU A 38 -11.021 -3.446 6.025 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.862 -2.993 7.198 1.00 0.47 C ATOM 0 H LEU A 38 -9.127 -4.388 9.783 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.676 -4.103 8.441 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.107 -5.598 7.926 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.553 -5.997 7.019 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.188 -4.502 5.733 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.774 -2.649 5.324 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.605 -4.211 5.513 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.603 -3.036 6.850 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.661 -2.209 6.468 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.375 -2.564 8.059 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.921 -3.438 7.521 1.00 0.47 H new ATOM 409 N SER A 39 -12.294 -6.787 8.457 1.00 0.47 N ATOM 410 CA SER A 39 -13.065 -7.955 8.869 1.00 0.54 C ATOM 411 C SER A 39 -12.166 -9.162 9.151 1.00 0.48 C ATOM 412 O SER A 39 -10.953 -9.091 8.975 1.00 0.46 O ATOM 413 CB SER A 39 -14.086 -8.297 7.788 1.00 0.67 C ATOM 414 OG SER A 39 -14.922 -7.185 7.516 1.00 1.42 O ATOM 0 H SER A 39 -12.319 -6.600 7.455 1.00 0.47 H new ATOM 0 HA SER A 39 -13.579 -7.711 9.798 1.00 0.54 H new ATOM 0 HB2 SER A 39 -13.570 -8.601 6.877 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.692 -9.144 8.109 1.00 0.67 H new ATOM 0 HG SER A 39 -15.568 -7.424 6.819 1.00 1.42 H new ATOM 420 N SER A 40 -12.775 -10.264 9.576 1.00 0.60 N ATOM 421 CA SER A 40 -12.042 -11.472 9.949 1.00 0.61 C ATOM 422 C SER A 40 -11.210 -12.022 8.786 1.00 0.53 C ATOM 423 O SER A 40 -9.978 -12.052 8.852 1.00 0.50 O ATOM 424 CB SER A 40 -13.030 -12.527 10.447 1.00 0.77 C ATOM 425 OG SER A 40 -14.163 -12.602 9.593 1.00 1.63 O ATOM 0 H SER A 40 -13.787 -10.347 9.672 1.00 0.60 H new ATOM 0 HA SER A 40 -11.343 -11.215 10.745 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.539 -13.499 10.492 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.349 -12.283 11.460 1.00 0.77 H new ATOM 0 HG SER A 40 -14.781 -13.284 9.929 1.00 1.63 H new ATOM 431 N ASP A 41 -11.889 -12.446 7.723 1.00 0.57 N ATOM 432 CA ASP A 41 -11.219 -12.994 6.543 1.00 0.58 C ATOM 433 C ASP A 41 -10.307 -11.952 5.910 1.00 0.53 C ATOM 434 O ASP A 41 -9.257 -12.275 5.351 1.00 0.56 O ATOM 435 CB ASP A 41 -12.251 -13.477 5.522 1.00 0.71 C ATOM 436 CG ASP A 41 -11.614 -13.995 4.248 1.00 1.25 C ATOM 437 OD1 ASP A 41 -11.110 -15.137 4.250 1.00 2.20 O ATOM 438 OD2 ASP A 41 -11.631 -13.270 3.231 1.00 1.69 O ATOM 0 H ASP A 41 -12.906 -12.421 7.653 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.611 -13.842 6.859 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.856 -14.266 5.968 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.927 -12.657 5.278 1.00 0.71 H new ATOM 443 N ALA A 42 -10.719 -10.698 6.012 1.00 0.51 N ATOM 444 CA ALA A 42 -9.930 -9.589 5.507 1.00 0.51 C ATOM 445 C ALA A 42 -8.599 -9.492 6.248 1.00 0.47 C ATOM 446 O ALA A 42 -7.545 -9.458 5.627 1.00 0.52 O ATOM 447 CB ALA A 42 -10.712 -8.294 5.646 1.00 0.54 C ATOM 0 H ALA A 42 -11.602 -10.423 6.443 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.717 -9.762 4.452 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.115 -7.466 5.265 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.638 -8.365 5.076 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.945 -8.121 6.697 1.00 0.54 H new ATOM 453 N GLN A 43 -8.670 -9.470 7.576 1.00 0.44 N ATOM 454 CA GLN A 43 -7.493 -9.367 8.442 1.00 0.45 C ATOM 455 C GLN A 43 -6.435 -10.413 8.119 1.00 0.45 C ATOM 456 O GLN A 43 -5.302 -10.071 7.805 1.00 0.48 O ATOM 457 CB GLN A 43 -7.917 -9.532 9.897 1.00 0.49 C ATOM 458 CG GLN A 43 -8.303 -8.233 10.584 1.00 0.82 C ATOM 459 CD GLN A 43 -8.873 -8.456 11.971 1.00 0.85 C ATOM 460 OE1 GLN A 43 -9.698 -7.680 12.446 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.437 -9.515 12.632 1.00 1.12 N ATOM 0 H GLN A 43 -9.551 -9.523 8.088 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.054 -8.384 8.270 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.762 -10.219 9.942 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -7.101 -9.995 10.452 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.427 -7.589 10.654 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.037 -7.707 9.973 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -7.751 -10.137 12.204 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.787 -9.710 13.570 1.00 1.12 H new ATOM 470 N GLU A 44 -6.799 -11.680 8.234 1.00 0.49 N ATOM 471 CA GLU A 44 -5.861 -12.772 7.964 1.00 0.54 C ATOM 472 C GLU A 44 -5.215 -12.640 6.580 1.00 0.51 C ATOM 473 O GLU A 44 -4.002 -12.796 6.443 1.00 0.50 O ATOM 474 CB GLU A 44 -6.549 -14.133 8.110 1.00 0.68 C ATOM 475 CG GLU A 44 -7.815 -14.284 7.288 1.00 1.20 C ATOM 476 CD GLU A 44 -8.409 -15.668 7.400 1.00 1.65 C ATOM 477 OE1 GLU A 44 -9.026 -15.973 8.443 1.00 2.20 O ATOM 478 OE2 GLU A 44 -8.253 -16.463 6.452 1.00 2.36 O ATOM 0 H GLU A 44 -7.733 -11.983 8.511 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.065 -12.704 8.706 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -5.847 -14.915 7.821 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.791 -14.294 9.161 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.549 -13.548 7.617 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.595 -14.069 6.242 1.00 1.20 H new ATOM 485 N SER A 45 -6.018 -12.328 5.566 1.00 0.54 N ATOM 486 CA SER A 45 -5.497 -12.117 4.218 1.00 0.59 C ATOM 487 C SER A 45 -4.601 -10.882 4.188 1.00 0.55 C ATOM 488 O SER A 45 -3.595 -10.832 3.479 1.00 0.58 O ATOM 489 CB SER A 45 -6.654 -11.947 3.229 1.00 0.71 C ATOM 490 OG SER A 45 -7.554 -13.042 3.302 1.00 1.04 O ATOM 0 H SER A 45 -7.028 -12.216 5.651 1.00 0.54 H new ATOM 0 HA SER A 45 -4.908 -12.987 3.929 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.186 -11.020 3.443 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.261 -11.862 2.216 1.00 0.71 H new ATOM 0 HG SER A 45 -8.213 -12.877 4.008 1.00 1.04 H new ATOM 496 N LEU A 46 -4.974 -9.901 4.988 1.00 0.56 N ATOM 497 CA LEU A 46 -4.263 -8.644 5.081 1.00 0.60 C ATOM 498 C LEU A 46 -2.910 -8.836 5.767 1.00 0.50 C ATOM 499 O LEU A 46 -1.925 -8.195 5.406 1.00 0.48 O ATOM 500 CB LEU A 46 -5.142 -7.653 5.848 1.00 0.74 C ATOM 501 CG LEU A 46 -4.591 -6.248 6.009 1.00 0.75 C ATOM 502 CD1 LEU A 46 -4.118 -5.698 4.672 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.648 -5.338 6.608 1.00 1.14 C ATOM 0 H LEU A 46 -5.789 -9.957 5.598 1.00 0.56 H new ATOM 0 HA LEU A 46 -4.059 -8.254 4.084 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -6.105 -7.587 5.341 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -5.332 -8.062 6.841 1.00 0.74 H new ATOM 0 HG LEU A 46 -3.736 -6.288 6.684 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -3.727 -4.690 4.811 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -3.333 -6.340 4.272 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.955 -5.670 3.974 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -5.242 -4.333 6.719 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -6.517 -5.308 5.951 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.945 -5.719 7.585 1.00 1.14 H new ATOM 515 N GLU A 47 -2.868 -9.738 6.743 1.00 0.49 N ATOM 516 CA GLU A 47 -1.627 -10.063 7.434 1.00 0.48 C ATOM 517 C GLU A 47 -0.650 -10.714 6.462 1.00 0.43 C ATOM 518 O GLU A 47 0.554 -10.451 6.497 1.00 0.45 O ATOM 519 CB GLU A 47 -1.896 -11.000 8.614 1.00 0.55 C ATOM 520 CG GLU A 47 -0.695 -11.186 9.528 1.00 0.81 C ATOM 521 CD GLU A 47 -0.923 -12.244 10.589 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.835 -12.073 11.423 1.00 1.51 O ATOM 523 OE2 GLU A 47 -0.185 -13.253 10.597 1.00 1.76 O ATOM 0 H GLU A 47 -3.682 -10.257 7.073 1.00 0.49 H new ATOM 0 HA GLU A 47 -1.191 -9.141 7.819 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.729 -10.607 9.197 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.206 -11.973 8.232 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.173 -11.460 8.929 1.00 0.81 H new ATOM 0 HG3 GLU A 47 -0.462 -10.237 10.011 1.00 0.81 H new ATOM 530 N VAL A 48 -1.183 -11.562 5.588 1.00 0.41 N ATOM 531 CA VAL A 48 -0.387 -12.178 4.536 1.00 0.42 C ATOM 532 C VAL A 48 0.152 -11.101 3.601 1.00 0.41 C ATOM 533 O VAL A 48 1.320 -11.129 3.211 1.00 0.43 O ATOM 534 CB VAL A 48 -1.210 -13.199 3.720 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.352 -13.869 2.661 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.829 -14.244 4.632 1.00 0.49 C ATOM 0 H VAL A 48 -2.165 -11.838 5.589 1.00 0.41 H new ATOM 0 HA VAL A 48 0.437 -12.710 5.012 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.011 -12.656 3.219 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -0.956 -14.583 2.101 1.00 0.49 H new ATOM 0 HG12 VAL A 48 0.041 -13.114 1.980 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.476 -14.392 3.140 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.404 -14.953 4.036 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.040 -14.775 5.165 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.488 -13.756 5.350 1.00 0.49 H new ATOM 546 N ALA A 49 -0.708 -10.140 3.269 1.00 0.41 N ATOM 547 CA ALA A 49 -0.330 -9.021 2.415 1.00 0.43 C ATOM 548 C ALA A 49 0.858 -8.263 2.992 1.00 0.43 C ATOM 549 O ALA A 49 1.760 -7.869 2.258 1.00 0.48 O ATOM 550 CB ALA A 49 -1.502 -8.072 2.224 1.00 0.44 C ATOM 0 H ALA A 49 -1.678 -10.116 3.583 1.00 0.41 H new ATOM 0 HA ALA A 49 -0.041 -9.430 1.447 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -1.199 -7.244 1.584 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.331 -8.606 1.759 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.818 -7.685 3.193 1.00 0.44 H new ATOM 556 N ILE A 50 0.854 -8.076 4.309 1.00 0.40 N ATOM 557 CA ILE A 50 1.931 -7.368 4.993 1.00 0.40 C ATOM 558 C ILE A 50 3.286 -8.008 4.687 1.00 0.38 C ATOM 559 O ILE A 50 4.210 -7.333 4.235 1.00 0.41 O ATOM 560 CB ILE A 50 1.707 -7.344 6.524 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.391 -6.636 6.860 1.00 0.53 C ATOM 562 CG2 ILE A 50 2.872 -6.660 7.226 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.069 -6.611 8.340 1.00 0.61 C ATOM 0 H ILE A 50 0.112 -8.407 4.926 1.00 0.40 H new ATOM 0 HA ILE A 50 1.927 -6.343 4.623 1.00 0.40 H new ATOM 0 HB ILE A 50 1.649 -8.373 6.879 1.00 0.43 H new ATOM 0 HG12 ILE A 50 0.436 -5.612 6.490 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.422 -7.131 6.329 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.695 -6.653 8.302 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.794 -7.201 7.013 1.00 0.47 H new ATOM 0 HG23 ILE A 50 2.962 -5.635 6.867 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.877 -6.093 8.498 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.010 -7.632 8.713 1.00 0.61 H new ATOM 0 HD13 ILE A 50 0.862 -6.089 8.876 1.00 0.61 H new ATOM 575 N GLN A 51 3.383 -9.315 4.902 1.00 0.39 N ATOM 576 CA GLN A 51 4.630 -10.042 4.670 1.00 0.43 C ATOM 577 C GLN A 51 4.952 -10.138 3.180 1.00 0.43 C ATOM 578 O GLN A 51 6.119 -10.233 2.793 1.00 0.47 O ATOM 579 CB GLN A 51 4.564 -11.439 5.287 1.00 0.50 C ATOM 580 CG GLN A 51 5.000 -11.495 6.746 1.00 0.78 C ATOM 581 CD GLN A 51 4.266 -10.509 7.635 1.00 1.02 C ATOM 582 OE1 GLN A 51 3.195 -10.808 8.163 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.850 -9.336 7.829 1.00 1.35 N ATOM 0 H GLN A 51 2.614 -9.895 5.237 1.00 0.39 H new ATOM 0 HA GLN A 51 5.431 -9.482 5.153 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.542 -11.811 5.210 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.193 -12.112 4.705 1.00 0.50 H new ATOM 0 HG2 GLN A 51 4.840 -12.504 7.126 1.00 0.78 H new ATOM 0 HG3 GLN A 51 6.070 -11.298 6.805 1.00 0.78 H new ATOM 0 HE21 GLN A 51 5.738 -9.127 7.373 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.412 -8.642 8.435 1.00 1.35 H new ATOM 592 N CYS A 52 3.922 -10.114 2.346 1.00 0.45 N ATOM 593 CA CYS A 52 4.123 -10.141 0.906 1.00 0.53 C ATOM 594 C CYS A 52 4.709 -8.817 0.424 1.00 0.53 C ATOM 595 O CYS A 52 5.663 -8.807 -0.349 1.00 0.60 O ATOM 596 CB CYS A 52 2.814 -10.448 0.182 1.00 0.59 C ATOM 597 SG CYS A 52 2.120 -12.071 0.572 1.00 0.69 S ATOM 0 H CYS A 52 2.946 -10.076 2.640 1.00 0.45 H new ATOM 0 HA CYS A 52 4.832 -10.936 0.674 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.082 -9.681 0.436 1.00 0.59 H new ATOM 0 HB3 CYS A 52 2.982 -10.385 -0.893 1.00 0.59 H new ATOM 0 HG CYS A 52 1.856 -12.136 1.843 1.00 0.69 H new ATOM 603 N LEU A 53 4.150 -7.703 0.898 1.00 0.50 N ATOM 604 CA LEU A 53 4.685 -6.378 0.584 1.00 0.54 C ATOM 605 C LEU A 53 6.092 -6.246 1.151 1.00 0.51 C ATOM 606 O LEU A 53 6.994 -5.715 0.500 1.00 0.58 O ATOM 607 CB LEU A 53 3.788 -5.281 1.172 1.00 0.63 C ATOM 608 CG LEU A 53 2.353 -5.240 0.640 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.528 -4.231 1.423 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.337 -4.893 -0.841 1.00 0.61 C ATOM 0 H LEU A 53 3.327 -7.692 1.501 1.00 0.50 H new ATOM 0 HA LEU A 53 4.714 -6.262 -0.499 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.751 -5.409 2.254 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.255 -4.315 0.981 1.00 0.63 H new ATOM 0 HG LEU A 53 1.914 -6.229 0.767 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.510 -4.213 1.034 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.509 -4.515 2.475 1.00 0.76 H new ATOM 0 HD13 LEU A 53 1.973 -3.241 1.322 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.307 -4.869 -1.198 1.00 0.61 H new ATOM 0 HD22 LEU A 53 2.795 -3.916 -0.991 1.00 0.61 H new ATOM 0 HD23 LEU A 53 2.897 -5.645 -1.397 1.00 0.61 H new ATOM 622 N GLU A 54 6.249 -6.746 2.370 1.00 0.47 N ATOM 623 CA GLU A 54 7.534 -6.801 3.056 1.00 0.51 C ATOM 624 C GLU A 54 8.600 -7.421 2.153 1.00 0.56 C ATOM 625 O GLU A 54 9.632 -6.810 1.870 1.00 0.65 O ATOM 626 CB GLU A 54 7.363 -7.643 4.322 1.00 0.56 C ATOM 627 CG GLU A 54 8.590 -7.728 5.207 1.00 0.73 C ATOM 628 CD GLU A 54 8.410 -8.737 6.321 1.00 1.05 C ATOM 629 OE1 GLU A 54 7.531 -8.532 7.181 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.149 -9.746 6.338 1.00 1.65 O ATOM 0 H GLU A 54 5.478 -7.130 2.917 1.00 0.47 H new ATOM 0 HA GLU A 54 7.859 -5.793 3.313 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.541 -7.230 4.906 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.073 -8.653 4.032 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.455 -8.003 4.604 1.00 0.73 H new ATOM 0 HG3 GLU A 54 8.798 -6.747 5.635 1.00 0.73 H new ATOM 637 N THR A 55 8.317 -8.627 1.684 1.00 0.61 N ATOM 638 CA THR A 55 9.239 -9.372 0.843 1.00 0.78 C ATOM 639 C THR A 55 9.376 -8.734 -0.544 1.00 0.83 C ATOM 640 O THR A 55 10.457 -8.730 -1.133 1.00 0.98 O ATOM 641 CB THR A 55 8.760 -10.830 0.696 1.00 0.95 C ATOM 642 OG1 THR A 55 8.523 -11.395 1.995 1.00 1.00 O ATOM 643 CG2 THR A 55 9.780 -11.678 -0.047 1.00 1.16 C ATOM 0 H THR A 55 7.442 -9.116 1.876 1.00 0.61 H new ATOM 0 HA THR A 55 10.217 -9.353 1.325 1.00 0.78 H new ATOM 0 HB THR A 55 7.836 -10.824 0.118 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.687 -11.037 2.360 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.410 -12.700 -0.133 1.00 1.16 H new ATOM 0 HG22 THR A 55 9.940 -11.265 -1.043 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.722 -11.678 0.501 1.00 1.16 H new ATOM 651 N ALA A 56 8.278 -8.181 -1.044 1.00 0.77 N ATOM 652 CA ALA A 56 8.240 -7.609 -2.385 1.00 0.88 C ATOM 653 C ALA A 56 9.172 -6.412 -2.523 1.00 0.88 C ATOM 654 O ALA A 56 10.048 -6.393 -3.382 1.00 1.15 O ATOM 655 CB ALA A 56 6.823 -7.198 -2.739 1.00 0.90 C ATOM 0 H ALA A 56 7.395 -8.116 -0.537 1.00 0.77 H new ATOM 0 HA ALA A 56 8.583 -8.379 -3.076 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.808 -6.772 -3.742 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.172 -8.071 -2.705 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.470 -6.455 -2.024 1.00 0.90 H new ATOM 661 N PHE A 57 8.981 -5.414 -1.677 1.00 0.76 N ATOM 662 CA PHE A 57 9.760 -4.195 -1.765 1.00 1.05 C ATOM 663 C PHE A 57 11.132 -4.371 -1.127 1.00 1.56 C ATOM 664 O PHE A 57 11.981 -3.481 -1.197 1.00 2.05 O ATOM 665 CB PHE A 57 9.011 -3.051 -1.090 1.00 1.04 C ATOM 666 CG PHE A 57 7.737 -2.656 -1.786 1.00 0.93 C ATOM 667 CD1 PHE A 57 6.550 -3.317 -1.516 1.00 1.47 C ATOM 668 CD2 PHE A 57 7.724 -1.611 -2.695 1.00 1.50 C ATOM 669 CE1 PHE A 57 5.375 -2.943 -2.137 1.00 1.46 C ATOM 670 CE2 PHE A 57 6.552 -1.235 -3.324 1.00 1.50 C ATOM 671 CZ PHE A 57 5.375 -1.901 -3.042 1.00 0.92 C ATOM 0 H PHE A 57 8.294 -5.426 -0.923 1.00 0.76 H new ATOM 0 HA PHE A 57 9.906 -3.959 -2.819 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.778 -3.338 -0.065 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.668 -2.183 -1.037 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.544 -4.135 -0.811 1.00 1.47 H new ATOM 0 HD2 PHE A 57 8.640 -1.084 -2.915 1.00 1.50 H new ATOM 0 HE1 PHE A 57 4.456 -3.466 -1.915 1.00 1.46 H new ATOM 0 HE2 PHE A 57 6.556 -0.422 -4.035 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.457 -1.607 -3.529 1.00 0.92 H new ATOM 681 N GLY A 58 11.344 -5.529 -0.512 1.00 1.71 N ATOM 682 CA GLY A 58 12.601 -5.802 0.153 1.00 2.29 C ATOM 683 C GLY A 58 12.772 -4.959 1.395 1.00 2.05 C ATOM 684 O GLY A 58 13.888 -4.578 1.752 1.00 2.60 O ATOM 0 H GLY A 58 10.663 -6.286 -0.463 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.649 -6.858 0.420 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.425 -5.609 -0.534 1.00 2.29 H new ATOM 688 N VAL A 59 11.664 -4.669 2.058 1.00 1.35 N ATOM 689 CA VAL A 59 11.685 -3.815 3.232 1.00 1.13 C ATOM 690 C VAL A 59 11.528 -4.632 4.503 1.00 1.04 C ATOM 691 O VAL A 59 10.882 -5.680 4.508 1.00 1.22 O ATOM 692 CB VAL A 59 10.588 -2.730 3.180 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.848 -1.761 2.040 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.208 -3.352 3.038 1.00 1.00 C ATOM 0 H VAL A 59 10.739 -5.013 1.802 1.00 1.35 H new ATOM 0 HA VAL A 59 12.656 -3.319 3.239 1.00 1.13 H new ATOM 0 HB VAL A 59 10.618 -2.180 4.121 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.064 -1.004 2.020 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.815 -1.279 2.186 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.852 -2.304 1.095 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.456 -2.564 3.004 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.165 -3.935 2.118 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.013 -4.003 3.890 1.00 1.00 H new ATOM 704 N THR A 60 12.144 -4.155 5.568 1.00 1.18 N ATOM 705 CA THR A 60 12.060 -4.805 6.865 1.00 1.30 C ATOM 706 C THR A 60 11.880 -3.766 7.965 1.00 1.16 C ATOM 707 O THR A 60 11.620 -2.593 7.677 1.00 1.15 O ATOM 708 CB THR A 60 13.327 -5.634 7.159 1.00 1.94 C ATOM 709 OG1 THR A 60 14.493 -4.825 6.954 1.00 2.24 O ATOM 710 CG2 THR A 60 13.397 -6.872 6.278 1.00 2.38 C ATOM 0 H THR A 60 12.715 -3.310 5.560 1.00 1.18 H new ATOM 0 HA THR A 60 11.200 -5.474 6.842 1.00 1.30 H new ATOM 0 HB THR A 60 13.284 -5.962 8.198 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.296 -5.354 7.143 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.302 -7.434 6.511 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.524 -7.498 6.461 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.416 -6.572 5.230 1.00 2.38 H new ATOM 718 N VAL A 61 12.023 -4.183 9.216 1.00 1.41 N ATOM 719 CA VAL A 61 11.975 -3.255 10.336 1.00 1.59 C ATOM 720 C VAL A 61 13.114 -2.231 10.234 1.00 1.83 C ATOM 721 O VAL A 61 13.035 -1.138 10.793 1.00 2.11 O ATOM 722 CB VAL A 61 12.032 -4.003 11.688 1.00 1.81 C ATOM 723 CG1 VAL A 61 13.349 -4.752 11.848 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.805 -3.048 12.852 1.00 1.95 C ATOM 0 H VAL A 61 12.173 -5.157 9.480 1.00 1.41 H new ATOM 0 HA VAL A 61 11.025 -2.723 10.291 1.00 1.59 H new ATOM 0 HB VAL A 61 11.227 -4.738 11.694 1.00 1.81 H new ATOM 0 HG11 VAL A 61 13.360 -5.268 12.808 1.00 2.21 H new ATOM 0 HG12 VAL A 61 13.454 -5.480 11.043 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.177 -4.045 11.807 1.00 2.21 H new ATOM 0 HG21 VAL A 61 11.850 -3.601 13.790 1.00 1.95 H new ATOM 0 HG22 VAL A 61 12.577 -2.278 12.847 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.825 -2.580 12.753 1.00 1.95 H new ATOM 734 N GLU A 62 14.155 -2.577 9.479 1.00 1.89 N ATOM 735 CA GLU A 62 15.248 -1.649 9.206 1.00 2.16 C ATOM 736 C GLU A 62 14.724 -0.456 8.410 1.00 1.64 C ATOM 737 O GLU A 62 15.049 0.701 8.691 1.00 1.65 O ATOM 738 CB GLU A 62 16.356 -2.352 8.421 1.00 2.87 C ATOM 739 CG GLU A 62 16.940 -3.559 9.136 1.00 3.13 C ATOM 740 CD GLU A 62 17.588 -3.199 10.454 1.00 3.57 C ATOM 741 OE1 GLU A 62 18.748 -2.736 10.443 1.00 3.98 O ATOM 742 OE2 GLU A 62 16.945 -3.382 11.509 1.00 4.01 O ATOM 0 H GLU A 62 14.264 -3.494 9.046 1.00 1.89 H new ATOM 0 HA GLU A 62 15.658 -1.298 10.153 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.960 -2.669 7.456 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.155 -1.639 8.219 1.00 2.87 H new ATOM 0 HG2 GLU A 62 16.150 -4.289 9.312 1.00 3.13 H new ATOM 0 HG3 GLU A 62 17.678 -4.036 8.491 1.00 3.13 H new ATOM 749 N ASP A 63 13.878 -0.747 7.432 1.00 1.38 N ATOM 750 CA ASP A 63 13.254 0.287 6.624 1.00 1.61 C ATOM 751 C ASP A 63 12.186 1.008 7.430 1.00 1.60 C ATOM 752 O ASP A 63 11.729 2.084 7.062 1.00 1.95 O ATOM 753 CB ASP A 63 12.644 -0.321 5.363 1.00 1.89 C ATOM 754 CG ASP A 63 13.683 -0.998 4.495 1.00 2.88 C ATOM 755 OD1 ASP A 63 14.286 -0.317 3.640 1.00 3.62 O ATOM 756 OD2 ASP A 63 13.911 -2.211 4.672 1.00 3.35 O ATOM 0 H ASP A 63 13.608 -1.697 7.179 1.00 1.38 H new ATOM 0 HA ASP A 63 14.017 1.007 6.329 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.880 -1.046 5.644 1.00 1.89 H new ATOM 0 HB3 ASP A 63 12.147 0.461 4.789 1.00 1.89 H new ATOM 761 N SER A 64 11.798 0.402 8.540 1.00 1.54 N ATOM 762 CA SER A 64 10.858 1.019 9.458 1.00 1.81 C ATOM 763 C SER A 64 11.608 1.905 10.450 1.00 1.74 C ATOM 764 O SER A 64 11.006 2.687 11.184 1.00 1.93 O ATOM 765 CB SER A 64 10.067 -0.061 10.196 1.00 2.41 C ATOM 766 OG SER A 64 9.494 -0.982 9.280 1.00 2.91 O ATOM 0 H SER A 64 12.122 -0.522 8.827 1.00 1.54 H new ATOM 0 HA SER A 64 10.160 1.639 8.896 1.00 1.81 H new ATOM 0 HB2 SER A 64 10.723 -0.590 10.888 1.00 2.41 H new ATOM 0 HB3 SER A 64 9.281 0.402 10.793 1.00 2.41 H new ATOM 0 HG SER A 64 10.207 -1.446 8.793 1.00 2.91 H new ATOM 772 N ASP A 65 12.930 1.767 10.470 1.00 1.69 N ATOM 773 CA ASP A 65 13.778 2.589 11.326 1.00 2.03 C ATOM 774 C ASP A 65 14.033 3.939 10.675 1.00 1.90 C ATOM 775 O ASP A 65 14.159 4.954 11.358 1.00 2.28 O ATOM 776 CB ASP A 65 15.105 1.887 11.614 1.00 2.26 C ATOM 777 CG ASP A 65 16.061 2.759 12.403 1.00 2.89 C ATOM 778 OD1 ASP A 65 15.792 3.018 13.595 1.00 3.46 O ATOM 779 OD2 ASP A 65 17.084 3.194 11.833 1.00 3.35 O ATOM 0 H ASP A 65 13.439 1.091 9.901 1.00 1.69 H new ATOM 0 HA ASP A 65 13.258 2.743 12.272 1.00 2.03 H new ATOM 0 HB2 ASP A 65 14.914 0.968 12.168 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.573 1.600 10.672 1.00 2.26 H new ATOM 784 N LEU A 66 14.083 3.952 9.347 1.00 1.52 N ATOM 785 CA LEU A 66 14.222 5.203 8.600 1.00 1.61 C ATOM 786 C LEU A 66 12.870 5.913 8.485 1.00 1.45 C ATOM 787 O LEU A 66 12.626 6.674 7.546 1.00 1.72 O ATOM 788 CB LEU A 66 14.848 4.948 7.212 1.00 1.77 C ATOM 789 CG LEU A 66 14.148 3.912 6.316 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.059 4.551 5.463 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.162 3.213 5.426 1.00 1.57 C ATOM 0 H LEU A 66 14.030 3.116 8.765 1.00 1.52 H new ATOM 0 HA LEU A 66 14.898 5.860 9.148 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.880 5.896 6.674 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.880 4.629 7.358 1.00 1.77 H new ATOM 0 HG LEU A 66 13.675 3.178 6.969 1.00 1.59 H new ATOM 0 HD11 LEU A 66 12.587 3.788 4.844 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.310 5.007 6.111 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.500 5.316 4.824 1.00 1.87 H new ATOM 0 HD21 LEU A 66 14.652 2.483 4.798 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.661 3.949 4.795 1.00 1.57 H new ATOM 0 HD23 LEU A 66 15.901 2.705 6.046 1.00 1.57 H new ATOM 803 N ALA A 67 12.018 5.670 9.479 1.00 1.30 N ATOM 804 CA ALA A 67 10.654 6.184 9.513 1.00 1.26 C ATOM 805 C ALA A 67 10.586 7.682 9.239 1.00 1.27 C ATOM 806 O ALA A 67 11.356 8.475 9.790 1.00 1.53 O ATOM 807 CB ALA A 67 10.016 5.873 10.854 1.00 1.48 C ATOM 0 H ALA A 67 12.260 5.104 10.292 1.00 1.30 H new ATOM 0 HA ALA A 67 10.103 5.686 8.715 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.997 6.260 10.871 1.00 1.48 H new ATOM 0 HB2 ALA A 67 9.996 4.794 11.006 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.595 6.341 11.650 1.00 1.48 H new ATOM 813 N LEU A 68 9.661 8.043 8.367 1.00 1.15 N ATOM 814 CA LEU A 68 9.408 9.431 8.021 1.00 1.28 C ATOM 815 C LEU A 68 8.689 10.136 9.169 1.00 1.55 C ATOM 816 O LEU A 68 8.087 9.468 10.014 1.00 1.55 O ATOM 817 CB LEU A 68 8.562 9.489 6.743 1.00 1.24 C ATOM 818 CG LEU A 68 9.195 8.831 5.515 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.179 8.717 4.392 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.410 9.620 5.051 1.00 1.18 C ATOM 0 H LEU A 68 9.062 7.379 7.877 1.00 1.15 H new ATOM 0 HA LEU A 68 10.356 9.940 7.846 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.603 9.010 6.939 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.355 10.533 6.510 1.00 1.24 H new ATOM 0 HG LEU A 68 9.521 7.829 5.793 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.645 8.247 3.526 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.336 8.111 4.724 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.826 9.711 4.119 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.846 9.136 4.177 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.108 10.634 4.791 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.148 9.656 5.852 1.00 1.18 H new ATOM 832 N PRO A 69 8.762 11.485 9.229 1.00 1.93 N ATOM 833 CA PRO A 69 8.144 12.284 10.298 1.00 2.35 C ATOM 834 C PRO A 69 6.757 11.789 10.708 1.00 2.24 C ATOM 835 O PRO A 69 6.467 11.644 11.899 1.00 2.61 O ATOM 836 CB PRO A 69 8.053 13.669 9.668 1.00 2.74 C ATOM 837 CG PRO A 69 9.238 13.745 8.771 1.00 2.56 C ATOM 838 CD PRO A 69 9.472 12.346 8.259 1.00 2.06 C ATOM 0 HA PRO A 69 8.723 12.240 11.221 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.124 13.792 9.111 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.077 14.453 10.425 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.058 14.436 7.947 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.111 14.113 9.310 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.078 12.219 7.250 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.535 12.109 8.218 1.00 2.06 H new ATOM 846 N GLN A 70 5.914 11.519 9.724 1.00 1.83 N ATOM 847 CA GLN A 70 4.578 11.013 9.984 1.00 1.81 C ATOM 848 C GLN A 70 4.331 9.766 9.150 1.00 1.42 C ATOM 849 O GLN A 70 4.953 9.580 8.103 1.00 1.30 O ATOM 850 CB GLN A 70 3.531 12.086 9.672 1.00 1.92 C ATOM 851 CG GLN A 70 3.373 12.390 8.191 1.00 1.65 C ATOM 852 CD GLN A 70 2.510 13.610 7.945 1.00 2.17 C ATOM 853 OE1 GLN A 70 1.283 13.517 7.868 1.00 2.65 O ATOM 854 NE2 GLN A 70 3.146 14.758 7.784 1.00 2.75 N ATOM 0 H GLN A 70 6.133 11.643 8.736 1.00 1.83 H new ATOM 0 HA GLN A 70 4.494 10.754 11.039 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.568 11.765 10.070 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.802 13.004 10.193 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.356 12.547 7.748 1.00 1.65 H new ATOM 0 HG3 GLN A 70 2.932 11.528 7.690 1.00 1.65 H new ATOM 0 HE21 GLN A 70 4.163 14.792 7.856 1.00 2.75 H new ATOM 0 HE22 GLN A 70 2.620 15.610 7.588 1.00 2.75 H new ATOM 863 N THR A 71 3.453 8.897 9.627 1.00 1.36 N ATOM 864 CA THR A 71 3.105 7.704 8.891 1.00 1.13 C ATOM 865 C THR A 71 2.359 8.054 7.609 1.00 0.86 C ATOM 866 O THR A 71 1.507 8.942 7.581 1.00 0.83 O ATOM 867 CB THR A 71 2.266 6.749 9.752 1.00 1.23 C ATOM 868 OG1 THR A 71 1.917 7.384 10.988 1.00 1.53 O ATOM 869 CG2 THR A 71 3.041 5.478 10.041 1.00 1.55 C ATOM 0 H THR A 71 2.972 9.001 10.520 1.00 1.36 H new ATOM 0 HA THR A 71 4.033 7.198 8.624 1.00 1.13 H new ATOM 0 HB THR A 71 1.359 6.496 9.203 1.00 1.23 H new ATOM 0 HG1 THR A 71 1.107 7.921 10.863 1.00 1.53 H new ATOM 0 HG21 THR A 71 2.432 4.812 10.652 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.291 4.983 9.103 1.00 1.55 H new ATOM 0 HG23 THR A 71 3.958 5.725 10.576 1.00 1.55 H new ATOM 877 N LEU A 72 2.690 7.330 6.556 1.00 0.80 N ATOM 878 CA LEU A 72 2.235 7.649 5.212 1.00 0.65 C ATOM 879 C LEU A 72 0.744 7.373 4.976 1.00 0.65 C ATOM 880 O LEU A 72 0.115 8.105 4.215 1.00 0.66 O ATOM 881 CB LEU A 72 3.100 6.913 4.198 1.00 0.78 C ATOM 882 CG LEU A 72 4.571 7.327 4.199 1.00 0.97 C ATOM 883 CD1 LEU A 72 5.299 6.712 3.015 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.696 8.845 4.189 1.00 1.79 C ATOM 0 H LEU A 72 3.283 6.502 6.607 1.00 0.80 H new ATOM 0 HA LEU A 72 2.346 8.726 5.085 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.037 5.843 4.395 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.690 7.079 3.202 1.00 0.78 H new ATOM 0 HG LEU A 72 5.037 6.954 5.111 1.00 0.97 H new ATOM 0 HD11 LEU A 72 6.345 7.018 3.032 1.00 1.47 H new ATOM 0 HD12 LEU A 72 5.238 5.625 3.075 1.00 1.47 H new ATOM 0 HD13 LEU A 72 4.837 7.051 2.088 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.750 9.123 4.190 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.216 9.244 3.295 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.212 9.256 5.075 1.00 1.79 H new ATOM 896 N PRO A 73 0.140 6.318 5.574 1.00 0.75 N ATOM 897 CA PRO A 73 -1.318 6.135 5.519 1.00 0.84 C ATOM 898 C PRO A 73 -2.090 7.397 5.928 1.00 0.80 C ATOM 899 O PRO A 73 -3.188 7.648 5.429 1.00 0.82 O ATOM 900 CB PRO A 73 -1.562 5.001 6.510 1.00 1.03 C ATOM 901 CG PRO A 73 -0.315 4.195 6.449 1.00 1.07 C ATOM 902 CD PRO A 73 0.798 5.189 6.268 1.00 0.84 C ATOM 0 HA PRO A 73 -1.666 5.920 4.509 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -1.742 5.382 7.515 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.434 4.409 6.232 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.178 3.615 7.361 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.346 3.486 5.622 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.221 5.497 7.224 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.615 4.775 5.677 1.00 0.84 H new ATOM 910 N GLU A 74 -1.502 8.195 6.821 1.00 0.78 N ATOM 911 CA GLU A 74 -2.105 9.460 7.236 1.00 0.78 C ATOM 912 C GLU A 74 -1.961 10.503 6.133 1.00 0.64 C ATOM 913 O GLU A 74 -2.873 11.295 5.893 1.00 0.64 O ATOM 914 CB GLU A 74 -1.453 9.971 8.520 1.00 0.87 C ATOM 915 CG GLU A 74 -1.618 9.032 9.700 1.00 1.22 C ATOM 916 CD GLU A 74 -0.960 9.559 10.954 1.00 1.48 C ATOM 917 OE1 GLU A 74 0.235 9.280 11.164 1.00 2.28 O ATOM 918 OE2 GLU A 74 -1.634 10.252 11.743 1.00 1.67 O ATOM 0 H GLU A 74 -0.610 7.987 7.270 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.164 9.287 7.425 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.390 10.131 8.339 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.882 10.940 8.775 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.680 8.874 9.889 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -1.191 8.061 9.450 1.00 1.22 H new ATOM 925 N ILE A 75 -0.806 10.498 5.468 1.00 0.58 N ATOM 926 CA ILE A 75 -0.577 11.351 4.303 1.00 0.53 C ATOM 927 C ILE A 75 -1.671 11.125 3.273 1.00 0.49 C ATOM 928 O ILE A 75 -2.262 12.066 2.755 1.00 0.53 O ATOM 929 CB ILE A 75 0.791 11.061 3.642 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.936 11.529 4.535 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.880 11.715 2.268 1.00 0.68 C ATOM 932 CD1 ILE A 75 2.041 13.032 4.635 1.00 1.38 C ATOM 0 H ILE A 75 -0.011 9.910 5.718 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.586 12.384 4.649 1.00 0.53 H new ATOM 0 HB ILE A 75 0.879 9.982 3.512 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.801 11.114 5.534 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.874 11.131 4.149 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.851 11.497 1.823 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.091 11.323 1.627 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.762 12.794 2.370 1.00 0.68 H new ATOM 0 HD11 ILE A 75 2.875 13.296 5.285 1.00 1.38 H new ATOM 0 HD12 ILE A 75 2.207 13.452 3.643 1.00 1.38 H new ATOM 0 HD13 ILE A 75 1.117 13.435 5.050 1.00 1.38 H new ATOM 944 N PHE A 76 -1.933 9.861 2.995 1.00 0.50 N ATOM 945 CA PHE A 76 -2.964 9.476 2.049 1.00 0.56 C ATOM 946 C PHE A 76 -4.342 9.906 2.529 1.00 0.60 C ATOM 947 O PHE A 76 -5.155 10.383 1.744 1.00 0.72 O ATOM 948 CB PHE A 76 -2.916 7.966 1.829 1.00 0.65 C ATOM 949 CG PHE A 76 -2.321 7.540 0.514 1.00 2.05 C ATOM 950 CD1 PHE A 76 -1.539 8.396 -0.252 1.00 2.34 C ATOM 951 CD2 PHE A 76 -2.552 6.266 0.043 1.00 2.12 C ATOM 952 CE1 PHE A 76 -1.004 7.976 -1.450 1.00 2.34 C ATOM 953 CE2 PHE A 76 -2.015 5.844 -1.154 1.00 2.24 C ATOM 954 CZ PHE A 76 -1.239 6.699 -1.898 1.00 2.36 C ATOM 0 H PHE A 76 -1.439 9.075 3.417 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.776 9.983 1.103 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.340 7.513 2.636 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.929 7.570 1.899 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -1.349 9.401 0.095 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -3.163 5.588 0.620 1.00 2.12 H new ATOM 0 HE1 PHE A 76 -0.399 8.651 -2.037 1.00 2.34 H new ATOM 0 HE2 PHE A 76 -2.204 4.841 -1.507 1.00 2.24 H new ATOM 0 HZ PHE A 76 -0.814 6.368 -2.834 1.00 2.36 H new ATOM 964 N GLU A 77 -4.587 9.764 3.818 1.00 0.63 N ATOM 965 CA GLU A 77 -5.865 10.153 4.394 1.00 0.73 C ATOM 966 C GLU A 77 -6.104 11.654 4.196 1.00 0.69 C ATOM 967 O GLU A 77 -7.240 12.108 4.066 1.00 0.80 O ATOM 968 CB GLU A 77 -5.882 9.801 5.881 1.00 0.90 C ATOM 969 CG GLU A 77 -7.264 9.491 6.423 1.00 1.56 C ATOM 970 CD GLU A 77 -7.920 8.334 5.697 1.00 1.94 C ATOM 971 OE1 GLU A 77 -7.284 7.266 5.581 1.00 2.41 O ATOM 972 OE2 GLU A 77 -9.077 8.484 5.250 1.00 2.52 O ATOM 0 H GLU A 77 -3.919 9.382 4.488 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.665 9.611 3.890 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.235 8.940 6.048 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -5.459 10.632 6.446 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.191 9.256 7.485 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -7.894 10.376 6.335 1.00 1.56 H new ATOM 979 N ALA A 78 -5.015 12.414 4.156 1.00 0.61 N ATOM 980 CA ALA A 78 -5.085 13.858 3.982 1.00 0.62 C ATOM 981 C ALA A 78 -5.091 14.255 2.504 1.00 0.60 C ATOM 982 O ALA A 78 -5.966 14.991 2.049 1.00 0.65 O ATOM 983 CB ALA A 78 -3.913 14.521 4.693 1.00 0.64 C ATOM 0 H ALA A 78 -4.066 12.049 4.243 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.023 14.200 4.419 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.970 15.601 4.559 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.951 14.284 5.756 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.977 14.153 4.273 1.00 0.64 H new ATOM 989 N ALA A 79 -4.115 13.754 1.760 1.00 0.65 N ATOM 990 CA ALA A 79 -3.878 14.193 0.387 1.00 0.75 C ATOM 991 C ALA A 79 -4.675 13.390 -0.632 1.00 0.86 C ATOM 992 O ALA A 79 -5.269 13.954 -1.549 1.00 0.99 O ATOM 993 CB ALA A 79 -2.397 14.085 0.062 1.00 0.83 C ATOM 0 H ALA A 79 -3.468 13.036 2.086 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.211 15.229 0.322 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.225 14.413 -0.963 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.828 14.715 0.746 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.075 13.049 0.170 1.00 0.83 H new ATOM 999 N ALA A 80 -4.693 12.079 -0.460 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.222 11.179 -1.479 1.00 1.12 C ATOM 1001 C ALA A 80 -6.743 11.237 -1.569 1.00 1.27 C ATOM 1002 O ALA A 80 -7.336 10.695 -2.494 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.761 9.759 -1.204 1.00 1.25 C ATOM 0 H ALA A 80 -4.347 11.610 0.377 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.833 11.508 -2.443 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -5.160 9.092 -1.969 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -3.672 9.720 -1.221 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.120 9.443 -0.224 1.00 1.25 H new ATOM 1009 N THR A 81 -7.375 11.907 -0.619 1.00 1.23 N ATOM 1010 CA THR A 81 -8.826 12.008 -0.593 1.00 1.46 C ATOM 1011 C THR A 81 -9.368 12.931 -1.694 1.00 1.63 C ATOM 1012 O THR A 81 -10.579 13.150 -1.788 1.00 1.89 O ATOM 1013 CB THR A 81 -9.312 12.493 0.784 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.382 13.443 1.323 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.468 11.326 1.744 1.00 1.65 C ATOM 0 H THR A 81 -6.905 12.390 0.146 1.00 1.23 H new ATOM 0 HA THR A 81 -9.214 11.007 -0.782 1.00 1.46 H new ATOM 0 HB THR A 81 -10.285 12.968 0.657 1.00 1.60 H new ATOM 0 HG1 THR A 81 -7.992 13.087 2.148 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.812 11.694 2.711 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.196 10.620 1.344 1.00 1.65 H new ATOM 0 HG23 THR A 81 -8.508 10.826 1.867 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.480 13.463 -2.528 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.905 14.300 -3.634 1.00 2.14 C ATOM 1025 C GLY A 82 -7.751 15.049 -4.266 1.00 2.00 C ATOM 1026 O GLY A 82 -6.733 15.270 -3.613 1.00 2.59 O ATOM 0 H GLY A 82 -7.471 13.329 -2.457 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.390 13.681 -4.389 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -9.649 15.014 -3.281 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.924 15.434 -5.534 1.00 1.89 N ATOM 1031 CA LYS A 83 -6.910 16.179 -6.294 1.00 2.11 C ATOM 1032 C LYS A 83 -5.693 15.314 -6.606 1.00 2.84 C ATOM 1033 O LYS A 83 -4.789 15.216 -5.749 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.474 17.449 -5.558 1.00 2.31 C ATOM 1035 CG LYS A 83 -7.543 18.526 -5.496 1.00 2.78 C ATOM 1036 CD LYS A 83 -7.047 19.761 -4.760 1.00 3.44 C ATOM 1037 CE LYS A 83 -5.802 20.342 -5.413 1.00 3.93 C ATOM 1038 NZ LYS A 83 -5.323 21.559 -4.709 1.00 4.41 N ATOM 1039 OXT LYS A 83 -5.641 14.743 -7.716 1.00 3.62 O ATOM 0 H LYS A 83 -8.772 15.238 -6.065 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.376 16.469 -7.236 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -6.180 17.185 -4.542 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -5.591 17.856 -6.050 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -7.844 18.800 -6.507 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -8.428 18.133 -4.995 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -7.834 20.515 -4.742 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -6.828 19.504 -3.724 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -5.012 19.591 -5.419 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -6.018 20.586 -6.453 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -4.473 21.924 -5.185 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -6.067 22.285 -4.725 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -5.092 21.322 -3.723 1.00 4.41 H new ATOM 1054 N MET B 15 -15.027 10.000 3.857 1.00 2.24 N ATOM 1055 CA MET B 15 -14.781 8.872 2.932 1.00 1.67 C ATOM 1056 C MET B 15 -13.501 8.155 3.320 1.00 1.40 C ATOM 1057 O MET B 15 -12.487 8.794 3.603 1.00 1.55 O ATOM 1058 CB MET B 15 -14.675 9.366 1.486 1.00 1.81 C ATOM 1059 CG MET B 15 -15.925 10.067 0.980 1.00 2.21 C ATOM 1060 SD MET B 15 -17.394 9.024 1.061 1.00 3.03 S ATOM 1061 CE MET B 15 -16.946 7.703 -0.064 1.00 3.68 C ATOM 0 HA MET B 15 -15.622 8.182 3.003 1.00 1.67 H new ATOM 0 HB2 MET B 15 -13.830 10.050 1.407 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.459 8.517 0.838 1.00 1.81 H new ATOM 0 HG2 MET B 15 -16.093 10.969 1.568 1.00 2.21 H new ATOM 0 HG3 MET B 15 -15.766 10.383 -0.051 1.00 2.21 H new ATOM 0 HE1 MET B 15 -17.839 7.141 -0.339 1.00 3.68 H new ATOM 0 HE2 MET B 15 -16.493 8.126 -0.960 1.00 3.68 H new ATOM 0 HE3 MET B 15 -16.234 7.037 0.423 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.551 6.831 3.336 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.393 6.026 3.700 1.00 1.13 C ATOM 1075 C ASP B 16 -11.371 6.033 2.578 1.00 0.91 C ATOM 1076 O ASP B 16 -11.637 5.537 1.482 1.00 1.01 O ATOM 1077 CB ASP B 16 -12.795 4.577 3.992 1.00 1.39 C ATOM 1078 CG ASP B 16 -13.783 4.446 5.130 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -13.370 4.557 6.303 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -14.979 4.207 4.855 1.00 2.27 O ATOM 0 H ASP B 16 -14.383 6.290 3.101 1.00 1.24 H new ATOM 0 HA ASP B 16 -11.960 6.464 4.600 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.228 4.139 3.092 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -11.901 4.000 4.229 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.201 6.590 2.846 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.129 6.586 1.861 1.00 0.75 C ATOM 1087 C ASN B 17 -8.399 5.251 1.894 1.00 0.62 C ATOM 1088 O ASN B 17 -7.553 4.971 1.052 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.155 7.737 2.108 1.00 0.93 C ATOM 1090 CG ASN B 17 -7.232 7.964 0.926 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -7.581 8.671 -0.015 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.048 7.371 0.968 1.00 1.71 N ATOM 0 H ASN B 17 -9.969 7.047 3.728 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.567 6.725 0.873 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.716 8.649 2.310 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -7.561 7.525 2.997 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.388 7.494 0.200 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -5.796 6.791 1.769 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.752 4.411 2.861 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.118 3.107 3.008 1.00 0.62 C ATOM 1101 C LYS B 18 -8.377 2.237 1.780 1.00 0.54 C ATOM 1102 O LYS B 18 -7.457 1.628 1.239 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.614 2.393 4.268 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.486 3.212 5.546 1.00 1.09 C ATOM 1105 CD LYS B 18 -7.122 3.879 5.669 1.00 1.04 C ATOM 1106 CE LYS B 18 -6.939 4.500 7.044 1.00 1.43 C ATOM 1107 NZ LYS B 18 -5.932 5.594 7.042 1.00 1.89 N ATOM 0 H LYS B 18 -9.473 4.610 3.554 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.044 3.270 3.103 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.660 2.120 4.129 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.056 1.464 4.388 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -9.264 3.975 5.566 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -8.651 2.565 6.408 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -6.337 3.144 5.491 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.019 4.647 4.903 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.895 4.890 7.394 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.632 3.729 7.750 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -5.693 5.847 8.022 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -5.074 5.276 6.547 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -6.324 6.425 6.555 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.629 2.196 1.332 1.00 0.61 N ATOM 1122 CA LYS B 19 -9.981 1.427 0.143 1.00 0.61 C ATOM 1123 C LYS B 19 -9.319 2.028 -1.092 1.00 0.53 C ATOM 1124 O LYS B 19 -8.918 1.312 -2.010 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.498 1.387 -0.066 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.120 2.751 -0.340 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.295 2.646 -1.301 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.376 1.732 -0.759 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.466 1.510 -1.744 1.00 1.49 N ATOM 0 H LYS B 19 -10.411 2.682 1.771 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.623 0.409 0.293 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.723 0.722 -0.900 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.966 0.957 0.820 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.454 3.194 0.598 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -11.366 3.419 -0.757 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.711 3.638 -1.479 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -12.947 2.269 -2.263 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.936 0.774 -0.484 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.793 2.164 0.151 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.175 0.866 -1.338 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.916 2.419 -1.975 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.071 1.089 -2.609 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.202 3.349 -1.096 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.631 4.060 -2.224 1.00 0.59 C ATOM 1145 C ARG B 20 -7.138 3.804 -2.293 1.00 0.55 C ATOM 1146 O ARG B 20 -6.564 3.663 -3.370 1.00 0.61 O ATOM 1147 CB ARG B 20 -8.932 5.553 -2.118 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.421 5.855 -2.026 1.00 0.82 C ATOM 1149 CD ARG B 20 -10.687 7.347 -2.127 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.116 7.656 -2.149 1.00 1.31 N ATOM 1151 CZ ARG B 20 -12.611 8.890 -2.090 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -11.794 9.933 -1.984 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -13.920 9.084 -2.142 1.00 2.34 N ATOM 0 H ARG B 20 -9.497 3.949 -0.326 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.084 3.693 -3.145 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -8.430 5.958 -1.239 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.516 6.064 -2.986 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -10.950 5.334 -2.824 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -10.814 5.476 -1.082 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.221 7.855 -1.283 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.219 7.737 -3.031 1.00 1.01 H new ATOM 0 HE ARG B 20 -12.773 6.879 -2.213 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -10.785 9.789 -1.948 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.176 10.878 -1.939 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -14.551 8.287 -2.227 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.297 10.030 -2.097 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.530 3.733 -1.121 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.142 3.334 -0.974 1.00 0.58 C ATOM 1169 C LEU B 21 -4.917 1.966 -1.616 1.00 0.57 C ATOM 1170 O LEU B 21 -3.993 1.786 -2.406 1.00 0.64 O ATOM 1171 CB LEU B 21 -4.802 3.320 0.527 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.567 2.526 0.972 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.326 2.945 0.210 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.344 2.726 2.461 1.00 0.61 C ATOM 0 H LEU B 21 -6.990 3.953 -0.238 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.484 4.039 -1.482 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.671 4.353 0.851 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.665 2.925 1.063 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.750 1.473 0.759 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.473 2.360 0.554 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.478 2.773 -0.856 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.133 4.004 0.383 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.466 2.162 2.777 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.188 3.785 2.666 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.218 2.375 3.010 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.800 1.029 -1.306 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.680 -0.338 -1.791 1.00 0.63 C ATOM 1188 C ALA B 22 -5.751 -0.427 -3.315 1.00 0.51 C ATOM 1189 O ALA B 22 -4.803 -0.885 -3.956 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.759 -1.205 -1.171 1.00 0.83 C ATOM 0 H ALA B 22 -6.615 1.193 -0.715 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.696 -0.700 -1.492 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.662 -2.226 -1.540 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.652 -1.199 -0.086 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.740 -0.814 -1.441 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.865 0.015 -3.899 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.089 -0.179 -5.331 1.00 0.75 C ATOM 1198 C TYR B 23 -6.052 0.581 -6.153 1.00 0.66 C ATOM 1199 O TYR B 23 -5.590 0.095 -7.184 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.516 0.238 -5.740 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.677 1.700 -6.108 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.355 2.165 -7.380 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -9.142 2.612 -5.180 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.491 3.500 -7.707 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -9.280 3.949 -5.498 1.00 2.48 C ATOM 1206 CZ TYR B 23 -8.953 4.387 -6.760 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.076 5.720 -7.068 1.00 2.99 O ATOM 0 H TYR B 23 -7.616 0.503 -3.411 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.979 -1.244 -5.538 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.827 -0.371 -6.589 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -9.195 0.009 -4.918 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -7.993 1.470 -8.123 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -9.402 2.273 -4.188 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -8.237 3.846 -8.698 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -9.643 4.648 -4.759 1.00 2.48 H new ATOM 0 HH TYR B 23 -10.004 6.003 -6.932 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.691 1.773 -5.689 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.727 2.606 -6.395 1.00 0.87 C ATOM 1219 C ALA B 24 -3.365 1.934 -6.432 1.00 0.75 C ATOM 1220 O ALA B 24 -2.645 2.014 -7.430 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.626 3.976 -5.752 1.00 1.14 C ATOM 0 H ALA B 24 -6.052 2.183 -4.827 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.076 2.735 -7.420 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.900 4.581 -6.296 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.600 4.464 -5.781 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.305 3.869 -4.716 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.017 1.273 -5.336 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.808 0.475 -5.284 1.00 0.71 C ATOM 1229 C ILE B 25 -1.911 -0.684 -6.265 1.00 0.61 C ATOM 1230 O ILE B 25 -0.973 -0.961 -7.006 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.541 -0.053 -3.857 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.053 1.084 -2.963 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.534 -1.190 -3.865 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.684 0.635 -1.570 1.00 0.89 C ATOM 0 H ILE B 25 -3.559 1.276 -4.472 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.969 1.112 -5.564 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.478 -0.444 -3.460 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.186 1.554 -3.427 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.831 1.844 -2.897 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.370 -1.538 -2.845 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.917 -2.011 -4.471 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.408 -0.838 -4.285 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.346 1.493 -0.989 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.555 0.191 -1.088 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.116 -0.104 -1.626 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.070 -1.335 -6.284 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.322 -2.428 -7.215 1.00 0.53 C ATOM 1248 C ILE B 26 -3.108 -1.980 -8.659 1.00 0.51 C ATOM 1249 O ILE B 26 -2.444 -2.668 -9.431 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.756 -2.988 -7.066 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -4.950 -3.596 -5.672 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.042 -4.020 -8.153 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.345 -4.133 -5.425 1.00 0.78 C ATOM 0 H ILE B 26 -3.851 -1.123 -5.663 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.611 -3.217 -6.971 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.464 -2.167 -7.182 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.231 -4.404 -5.535 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.725 -2.838 -4.921 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.055 -4.404 -8.033 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.945 -3.553 -9.133 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.331 -4.842 -8.071 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.403 -4.546 -4.418 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.069 -3.325 -5.528 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.568 -4.915 -6.151 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.654 -0.816 -9.009 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.554 -0.299 -10.374 1.00 0.62 C ATOM 1267 C GLN B 27 -2.096 -0.185 -10.809 1.00 0.55 C ATOM 1268 O GLN B 27 -1.706 -0.701 -11.860 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.227 1.074 -10.494 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.701 1.082 -10.116 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.499 0.011 -10.830 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.999 0.224 -11.935 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.643 -1.140 -10.191 1.00 1.34 N ATOM 0 H GLN B 27 -4.170 -0.214 -8.367 1.00 0.54 H new ATOM 0 HA GLN B 27 -4.068 -1.005 -11.026 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.697 1.783 -9.858 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.125 1.428 -11.520 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.795 0.941 -9.039 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.125 2.059 -10.348 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -6.211 -1.273 -9.277 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.186 -1.893 -10.613 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.295 0.479 -9.986 1.00 0.52 N ATOM 1283 CA PHE B 28 0.112 0.691 -10.293 1.00 0.51 C ATOM 1284 C PHE B 28 0.903 -0.609 -10.195 1.00 0.43 C ATOM 1285 O PHE B 28 1.669 -0.945 -11.097 1.00 0.42 O ATOM 1286 CB PHE B 28 0.706 1.744 -9.353 1.00 0.60 C ATOM 1287 CG PHE B 28 2.205 1.854 -9.431 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.831 2.165 -10.627 1.00 1.62 C ATOM 1289 CD2 PHE B 28 2.985 1.633 -8.309 1.00 1.60 C ATOM 1290 CE1 PHE B 28 4.207 2.256 -10.700 1.00 1.96 C ATOM 1291 CE2 PHE B 28 4.361 1.721 -8.375 1.00 1.98 C ATOM 1292 CZ PHE B 28 4.973 2.033 -9.573 1.00 1.83 C ATOM 0 H PHE B 28 -1.597 0.881 -9.099 1.00 0.52 H new ATOM 0 HA PHE B 28 0.181 1.050 -11.320 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.268 2.714 -9.587 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.422 1.504 -8.328 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.237 2.338 -11.512 1.00 1.62 H new ATOM 0 HD2 PHE B 28 2.511 1.389 -7.370 1.00 1.60 H new ATOM 0 HE1 PHE B 28 4.684 2.501 -11.638 1.00 1.96 H new ATOM 0 HE2 PHE B 28 4.958 1.546 -7.492 1.00 1.98 H new ATOM 0 HZ PHE B 28 6.049 2.102 -9.628 1.00 1.83 H new ATOM 1302 N LEU B 29 0.708 -1.342 -9.109 1.00 0.45 N ATOM 1303 CA LEU B 29 1.461 -2.564 -8.868 1.00 0.45 C ATOM 1304 C LEU B 29 1.142 -3.637 -9.901 1.00 0.45 C ATOM 1305 O LEU B 29 1.987 -4.471 -10.201 1.00 0.48 O ATOM 1306 CB LEU B 29 1.214 -3.100 -7.456 1.00 0.53 C ATOM 1307 CG LEU B 29 2.215 -2.632 -6.392 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.231 -1.113 -6.272 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.888 -3.268 -5.053 1.00 0.70 C ATOM 0 H LEU B 29 0.034 -1.111 -8.379 1.00 0.45 H new ATOM 0 HA LEU B 29 2.516 -2.308 -8.962 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.212 -2.805 -7.143 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.229 -4.189 -7.491 1.00 0.53 H new ATOM 0 HG LEU B 29 3.211 -2.949 -6.702 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.951 -0.816 -5.509 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.515 -0.675 -7.229 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.239 -0.760 -5.991 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.604 -2.929 -4.305 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.882 -2.979 -4.749 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.943 -4.353 -5.143 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.067 -3.611 -10.448 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.440 -4.548 -11.502 1.00 0.53 C ATOM 1323 C HIS B 30 0.366 -4.256 -12.766 1.00 0.48 C ATOM 1324 O HIS B 30 0.880 -5.171 -13.410 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.942 -4.461 -11.795 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.428 -5.468 -12.793 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.873 -5.127 -14.050 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.548 -6.814 -12.705 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -3.246 -6.217 -14.692 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.059 -7.255 -13.900 1.00 1.41 N ATOM 0 H HIS B 30 -0.802 -2.956 -10.182 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.217 -5.560 -11.165 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.492 -4.594 -10.863 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.173 -3.461 -12.162 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.290 -7.426 -11.853 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.639 -6.254 -15.697 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -3.261 -8.226 -14.137 1.00 1.41 H new ATOM 1339 N ASP B 31 0.485 -2.974 -13.099 1.00 0.48 N ATOM 1340 CA ASP B 31 1.280 -2.550 -14.249 1.00 0.52 C ATOM 1341 C ASP B 31 2.752 -2.838 -13.993 1.00 0.45 C ATOM 1342 O ASP B 31 3.452 -3.376 -14.848 1.00 0.50 O ATOM 1343 CB ASP B 31 1.084 -1.054 -14.518 1.00 0.63 C ATOM 1344 CG ASP B 31 1.857 -0.574 -15.734 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.319 -0.658 -16.857 1.00 1.79 O ATOM 1346 OD2 ASP B 31 3.007 -0.106 -15.576 1.00 1.98 O ATOM 0 H ASP B 31 0.041 -2.210 -12.589 1.00 0.48 H new ATOM 0 HA ASP B 31 0.948 -3.108 -15.125 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.023 -0.850 -14.663 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.401 -0.487 -13.643 1.00 0.63 H new ATOM 1351 N GLN B 32 3.199 -2.490 -12.795 1.00 0.42 N ATOM 1352 CA GLN B 32 4.570 -2.732 -12.365 1.00 0.44 C ATOM 1353 C GLN B 32 4.901 -4.225 -12.398 1.00 0.38 C ATOM 1354 O GLN B 32 6.008 -4.614 -12.768 1.00 0.43 O ATOM 1355 CB GLN B 32 4.769 -2.142 -10.956 1.00 0.52 C ATOM 1356 CG GLN B 32 6.061 -2.552 -10.257 1.00 0.57 C ATOM 1357 CD GLN B 32 5.975 -3.909 -9.573 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.964 -4.633 -9.483 1.00 1.93 O ATOM 1359 NE2 GLN B 32 4.792 -4.262 -9.082 1.00 1.31 N ATOM 0 H GLN B 32 2.620 -2.031 -12.092 1.00 0.42 H new ATOM 0 HA GLN B 32 5.256 -2.240 -13.054 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.743 -1.055 -11.028 1.00 0.52 H new ATOM 0 HB3 GLN B 32 3.927 -2.441 -10.332 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.870 -2.572 -10.988 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.320 -1.796 -9.516 1.00 0.57 H new ATOM 0 HE21 GLN B 32 3.993 -3.635 -9.176 1.00 1.31 H new ATOM 0 HE22 GLN B 32 4.683 -5.160 -8.611 1.00 1.31 H new ATOM 1368 N LEU B 33 3.935 -5.050 -12.013 1.00 0.37 N ATOM 1369 CA LEU B 33 4.117 -6.496 -11.994 1.00 0.42 C ATOM 1370 C LEU B 33 4.360 -7.001 -13.411 1.00 0.46 C ATOM 1371 O LEU B 33 5.274 -7.787 -13.657 1.00 0.53 O ATOM 1372 CB LEU B 33 2.878 -7.176 -11.393 1.00 0.53 C ATOM 1373 CG LEU B 33 3.139 -8.401 -10.505 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.827 -9.514 -11.281 1.00 1.22 C ATOM 1375 CD2 LEU B 33 3.963 -8.008 -9.288 1.00 0.83 C ATOM 0 H LEU B 33 3.012 -4.740 -11.708 1.00 0.37 H new ATOM 0 HA LEU B 33 4.981 -6.740 -11.376 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.333 -6.437 -10.805 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.223 -7.479 -12.210 1.00 0.53 H new ATOM 0 HG LEU B 33 2.175 -8.781 -10.167 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.997 -10.366 -10.622 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.195 -9.820 -12.115 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.783 -9.154 -11.663 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.139 -8.887 -8.669 1.00 0.83 H new ATOM 0 HD22 LEU B 33 4.918 -7.596 -9.613 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.423 -7.259 -8.709 1.00 0.83 H new ATOM 1387 N ARG B 34 3.542 -6.524 -14.340 1.00 0.47 N ATOM 1388 CA ARG B 34 3.671 -6.898 -15.740 1.00 0.59 C ATOM 1389 C ARG B 34 4.951 -6.313 -16.331 1.00 0.58 C ATOM 1390 O ARG B 34 5.601 -6.931 -17.170 1.00 0.69 O ATOM 1391 CB ARG B 34 2.458 -6.400 -16.530 1.00 0.70 C ATOM 1392 CG ARG B 34 2.439 -6.857 -17.981 1.00 1.41 C ATOM 1393 CD ARG B 34 2.290 -8.366 -18.085 1.00 1.46 C ATOM 1394 NE ARG B 34 2.282 -8.826 -19.472 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.890 -10.042 -19.848 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.455 -10.912 -18.943 1.00 2.19 N ATOM 1397 NH2 ARG B 34 1.932 -10.390 -21.127 1.00 3.50 N ATOM 0 H ARG B 34 2.779 -5.875 -14.147 1.00 0.47 H new ATOM 0 HA ARG B 34 3.719 -7.985 -15.806 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.549 -6.746 -16.038 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.440 -5.311 -16.502 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.616 -6.372 -18.506 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.360 -6.546 -18.474 1.00 1.41 H new ATOM 0 HD2 ARG B 34 3.108 -8.848 -17.549 1.00 1.46 H new ATOM 0 HD3 ARG B 34 1.365 -8.672 -17.597 1.00 1.46 H new ATOM 0 HE ARG B 34 2.595 -8.178 -20.195 1.00 2.18 H new ATOM 0 HH11 ARG B 34 1.421 -10.649 -17.958 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.155 -11.843 -19.233 1.00 2.19 H new ATOM 0 HH21 ARG B 34 2.265 -9.726 -21.826 1.00 3.50 H new ATOM 0 HH22 ARG B 34 1.631 -11.322 -21.412 1.00 3.50 H new ATOM 1411 N HIS B 35 5.303 -5.118 -15.878 1.00 0.53 N ATOM 1412 CA HIS B 35 6.466 -4.407 -16.387 1.00 0.59 C ATOM 1413 C HIS B 35 7.766 -5.037 -15.891 1.00 0.58 C ATOM 1414 O HIS B 35 8.761 -5.077 -16.612 1.00 0.74 O ATOM 1415 CB HIS B 35 6.406 -2.934 -15.971 1.00 0.59 C ATOM 1416 CG HIS B 35 7.455 -2.075 -16.607 1.00 1.17 C ATOM 1417 ND1 HIS B 35 8.522 -1.550 -15.912 1.00 1.99 N ATOM 1418 CD2 HIS B 35 7.589 -1.643 -17.882 1.00 1.62 C ATOM 1419 CE1 HIS B 35 9.265 -0.834 -16.731 1.00 2.69 C ATOM 1420 NE2 HIS B 35 8.723 -0.873 -17.933 1.00 2.43 N ATOM 0 H HIS B 35 4.793 -4.617 -15.151 1.00 0.53 H new ATOM 0 HA HIS B 35 6.451 -4.477 -17.475 1.00 0.59 H new ATOM 0 HB2 HIS B 35 5.423 -2.536 -16.224 1.00 0.59 H new ATOM 0 HB3 HIS B 35 6.507 -2.869 -14.888 1.00 0.59 H new ATOM 0 HD2 HIS B 35 6.927 -1.863 -18.706 1.00 1.62 H new ATOM 0 HE1 HIS B 35 10.167 -0.304 -16.463 1.00 2.69 H new ATOM 0 HE2 HIS B 35 9.087 -0.407 -18.764 1.00 2.43 H new ATOM 1429 N GLY B 36 7.751 -5.523 -14.657 1.00 0.49 N ATOM 1430 CA GLY B 36 8.935 -6.128 -14.083 1.00 0.51 C ATOM 1431 C GLY B 36 9.683 -5.175 -13.174 1.00 0.47 C ATOM 1432 O GLY B 36 10.909 -5.084 -13.238 1.00 0.53 O ATOM 0 H GLY B 36 6.937 -5.509 -14.042 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.650 -7.016 -13.519 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.597 -6.458 -14.884 1.00 0.51 H new ATOM 1436 N GLY B 37 8.943 -4.442 -12.349 1.00 0.41 N ATOM 1437 CA GLY B 37 9.553 -3.458 -11.470 1.00 0.40 C ATOM 1438 C GLY B 37 10.467 -4.078 -10.431 1.00 0.39 C ATOM 1439 O GLY B 37 11.680 -3.848 -10.449 1.00 0.53 O ATOM 0 H GLY B 37 7.928 -4.511 -12.272 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.122 -2.747 -12.069 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.769 -2.894 -10.966 1.00 0.40 H new ATOM 1443 N LEU B 38 9.891 -4.859 -9.525 1.00 0.36 N ATOM 1444 CA LEU B 38 10.666 -5.499 -8.468 1.00 0.41 C ATOM 1445 C LEU B 38 11.336 -6.778 -8.972 1.00 0.49 C ATOM 1446 O LEU B 38 11.270 -7.096 -10.160 1.00 0.83 O ATOM 1447 CB LEU B 38 9.788 -5.803 -7.244 1.00 0.44 C ATOM 1448 CG LEU B 38 9.507 -4.622 -6.298 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.806 -4.020 -5.781 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.665 -3.555 -6.978 1.00 0.47 C ATOM 0 H LEU B 38 8.892 -5.064 -9.500 1.00 0.36 H new ATOM 0 HA LEU B 38 11.446 -4.800 -8.166 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.834 -6.194 -7.596 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.265 -6.596 -6.669 1.00 0.44 H new ATOM 0 HG LEU B 38 8.942 -5.009 -5.450 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.581 -3.187 -5.115 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.367 -4.779 -5.236 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.401 -3.662 -6.621 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.485 -2.735 -6.282 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.193 -3.178 -7.854 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.712 -3.985 -7.286 1.00 0.47 H new ATOM 1462 N SER B 39 11.983 -7.501 -8.069 1.00 0.47 N ATOM 1463 CA SER B 39 12.719 -8.708 -8.426 1.00 0.54 C ATOM 1464 C SER B 39 11.785 -9.898 -8.659 1.00 0.48 C ATOM 1465 O SER B 39 10.573 -9.784 -8.494 1.00 0.45 O ATOM 1466 CB SER B 39 13.726 -9.033 -7.326 1.00 0.67 C ATOM 1467 OG SER B 39 14.589 -7.934 -7.097 1.00 1.42 O ATOM 0 H SER B 39 12.014 -7.271 -7.076 1.00 0.47 H new ATOM 0 HA SER B 39 13.243 -8.521 -9.363 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.198 -9.285 -6.406 1.00 0.67 H new ATOM 0 HB3 SER B 39 14.311 -9.908 -7.608 1.00 0.67 H new ATOM 0 HG SER B 39 15.226 -8.161 -6.388 1.00 1.42 H new ATOM 1473 N SER B 40 12.362 -11.036 -9.032 1.00 0.59 N ATOM 1474 CA SER B 40 11.592 -12.234 -9.356 1.00 0.61 C ATOM 1475 C SER B 40 10.745 -12.711 -8.172 1.00 0.53 C ATOM 1476 O SER B 40 9.511 -12.720 -8.246 1.00 0.49 O ATOM 1477 CB SER B 40 12.545 -13.339 -9.807 1.00 0.77 C ATOM 1478 OG SER B 40 13.672 -13.412 -8.945 1.00 1.63 O ATOM 0 H SER B 40 13.371 -11.155 -9.118 1.00 0.59 H new ATOM 0 HA SER B 40 10.902 -11.986 -10.163 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.023 -14.296 -9.814 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.874 -13.148 -10.829 1.00 0.77 H new ATOM 0 HG SER B 40 14.270 -14.126 -9.249 1.00 1.63 H new ATOM 1484 N ASP B 41 11.408 -13.105 -7.089 1.00 0.57 N ATOM 1485 CA ASP B 41 10.719 -13.584 -5.889 1.00 0.58 C ATOM 1486 C ASP B 41 9.836 -12.488 -5.304 1.00 0.53 C ATOM 1487 O ASP B 41 8.772 -12.757 -4.743 1.00 0.55 O ATOM 1488 CB ASP B 41 11.733 -14.056 -4.845 1.00 0.71 C ATOM 1489 CG ASP B 41 11.080 -14.492 -3.548 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.518 -15.606 -3.505 1.00 2.21 O ATOM 1491 OD2 ASP B 41 11.148 -13.732 -2.559 1.00 1.69 O ATOM 0 H ASP B 41 12.425 -13.103 -7.015 1.00 0.57 H new ATOM 0 HA ASP B 41 10.087 -14.426 -6.171 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.309 -14.886 -5.254 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.438 -13.250 -4.639 1.00 0.71 H new ATOM 1496 N ALA B 42 10.286 -11.254 -5.454 1.00 0.51 N ATOM 1497 CA ALA B 42 9.529 -10.100 -5.004 1.00 0.50 C ATOM 1498 C ALA B 42 8.204 -9.996 -5.751 1.00 0.47 C ATOM 1499 O ALA B 42 7.149 -9.904 -5.137 1.00 0.52 O ATOM 1500 CB ALA B 42 10.349 -8.837 -5.197 1.00 0.54 C ATOM 0 H ALA B 42 11.180 -11.025 -5.888 1.00 0.51 H new ATOM 0 HA ALA B 42 9.309 -10.220 -3.943 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.775 -7.975 -4.857 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.271 -8.910 -4.619 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.591 -8.718 -6.253 1.00 0.54 H new ATOM 1506 N GLN B 43 8.279 -10.032 -7.079 1.00 0.44 N ATOM 1507 CA GLN B 43 7.107 -9.933 -7.952 1.00 0.45 C ATOM 1508 C GLN B 43 6.017 -10.931 -7.588 1.00 0.45 C ATOM 1509 O GLN B 43 4.895 -10.543 -7.294 1.00 0.48 O ATOM 1510 CB GLN B 43 7.525 -10.172 -9.397 1.00 0.49 C ATOM 1511 CG GLN B 43 7.952 -8.915 -10.137 1.00 0.82 C ATOM 1512 CD GLN B 43 8.517 -9.214 -11.513 1.00 0.85 C ATOM 1513 OE1 GLN B 43 9.370 -8.487 -12.018 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.046 -10.284 -12.132 1.00 1.12 N ATOM 0 H GLN B 43 9.159 -10.131 -7.585 1.00 0.44 H new ATOM 0 HA GLN B 43 6.699 -8.931 -7.823 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.348 -10.887 -9.412 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.694 -10.631 -9.933 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.096 -8.248 -10.237 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.701 -8.387 -9.547 1.00 0.82 H new ATOM 0 HE21 GLN B 43 7.338 -10.864 -11.681 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.391 -10.529 -13.060 1.00 1.12 H new ATOM 1523 N GLU B 44 6.344 -12.213 -7.646 1.00 0.49 N ATOM 1524 CA GLU B 44 5.372 -13.264 -7.333 1.00 0.54 C ATOM 1525 C GLU B 44 4.729 -13.051 -5.958 1.00 0.51 C ATOM 1526 O GLU B 44 3.513 -13.160 -5.817 1.00 0.50 O ATOM 1527 CB GLU B 44 6.017 -14.650 -7.418 1.00 0.68 C ATOM 1528 CG GLU B 44 7.276 -14.805 -6.587 1.00 1.20 C ATOM 1529 CD GLU B 44 7.826 -16.210 -6.633 1.00 1.65 C ATOM 1530 OE1 GLU B 44 8.427 -16.582 -7.662 1.00 2.20 O ATOM 1531 OE2 GLU B 44 7.657 -16.954 -5.644 1.00 2.36 O ATOM 0 H GLU B 44 7.269 -12.556 -7.905 1.00 0.49 H new ATOM 0 HA GLU B 44 4.581 -13.206 -8.080 1.00 0.54 H new ATOM 0 HB2 GLU B 44 5.290 -15.396 -7.097 1.00 0.68 H new ATOM 0 HB3 GLU B 44 6.255 -14.864 -8.460 1.00 0.68 H new ATOM 0 HG2 GLU B 44 8.034 -14.109 -6.947 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.061 -14.535 -5.553 1.00 1.20 H new ATOM 1538 N SER B 45 5.540 -12.720 -4.957 1.00 0.54 N ATOM 1539 CA SER B 45 5.023 -12.439 -3.621 1.00 0.59 C ATOM 1540 C SER B 45 4.163 -11.178 -3.646 1.00 0.55 C ATOM 1541 O SER B 45 3.159 -11.069 -2.941 1.00 0.58 O ATOM 1542 CB SER B 45 6.183 -12.259 -2.638 1.00 0.71 C ATOM 1543 OG SER B 45 7.052 -13.379 -2.667 1.00 1.04 O ATOM 0 H SER B 45 6.553 -12.640 -5.045 1.00 0.54 H new ATOM 0 HA SER B 45 4.409 -13.280 -3.297 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.740 -11.356 -2.888 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.792 -12.123 -1.630 1.00 0.71 H new ATOM 0 HG SER B 45 7.703 -13.269 -3.391 1.00 1.04 H new ATOM 1549 N LEU B 46 4.565 -10.241 -4.486 1.00 0.56 N ATOM 1550 CA LEU B 46 3.893 -8.969 -4.635 1.00 0.60 C ATOM 1551 C LEU B 46 2.537 -9.152 -5.317 1.00 0.50 C ATOM 1552 O LEU B 46 1.571 -8.468 -4.986 1.00 0.48 O ATOM 1553 CB LEU B 46 4.802 -8.039 -5.441 1.00 0.74 C ATOM 1554 CG LEU B 46 4.293 -6.626 -5.663 1.00 0.75 C ATOM 1555 CD1 LEU B 46 3.837 -6.007 -4.350 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.379 -5.774 -6.297 1.00 1.14 C ATOM 0 H LEU B 46 5.379 -10.347 -5.091 1.00 0.56 H new ATOM 0 HA LEU B 46 3.700 -8.529 -3.657 1.00 0.60 H new ATOM 0 HB2 LEU B 46 5.766 -7.980 -4.935 1.00 0.74 H new ATOM 0 HB3 LEU B 46 4.981 -8.495 -6.415 1.00 0.74 H new ATOM 0 HG LEU B 46 3.438 -6.668 -6.337 1.00 0.75 H new ATOM 0 HD11 LEU B 46 3.476 -4.995 -4.531 1.00 1.28 H new ATOM 0 HD12 LEU B 46 3.034 -6.608 -3.924 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.674 -5.974 -3.653 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.004 -4.762 -6.452 1.00 1.14 H new ATOM 0 HD22 LEU B 46 6.247 -5.742 -5.639 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.666 -6.205 -7.256 1.00 1.14 H new ATOM 1568 N GLU B 47 2.469 -10.092 -6.253 1.00 0.49 N ATOM 1569 CA GLU B 47 1.218 -10.409 -6.931 1.00 0.48 C ATOM 1570 C GLU B 47 0.222 -10.988 -5.933 1.00 0.43 C ATOM 1571 O GLU B 47 -0.972 -10.689 -5.979 1.00 0.45 O ATOM 1572 CB GLU B 47 1.461 -11.405 -8.069 1.00 0.55 C ATOM 1573 CG GLU B 47 0.255 -11.593 -8.977 1.00 0.81 C ATOM 1574 CD GLU B 47 0.454 -12.695 -9.997 1.00 1.06 C ATOM 1575 OE1 GLU B 47 1.390 -12.597 -10.814 1.00 1.52 O ATOM 1576 OE2 GLU B 47 -0.334 -13.666 -9.996 1.00 1.75 O ATOM 0 H GLU B 47 3.267 -10.648 -6.560 1.00 0.49 H new ATOM 0 HA GLU B 47 0.808 -9.493 -7.356 1.00 0.48 H new ATOM 0 HB2 GLU B 47 2.306 -11.063 -8.666 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.740 -12.369 -7.644 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.620 -11.821 -8.368 1.00 0.81 H new ATOM 0 HG3 GLU B 47 0.047 -10.657 -9.496 1.00 0.81 H new ATOM 1583 N VAL B 48 0.729 -11.813 -5.022 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.087 -12.360 -3.948 1.00 0.42 C ATOM 1585 C VAL B 48 -0.595 -11.227 -3.062 1.00 0.41 C ATOM 1586 O VAL B 48 -1.766 -11.203 -2.676 1.00 0.43 O ATOM 1587 CB VAL B 48 0.705 -13.369 -3.086 1.00 0.45 C ATOM 1588 CG1 VAL B 48 -0.178 -13.967 -2.003 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.294 -14.472 -3.950 1.00 0.48 C ATOM 0 H VAL B 48 1.703 -12.117 -5.008 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.926 -12.888 -4.402 1.00 0.42 H new ATOM 0 HB VAL B 48 1.522 -12.829 -2.607 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.402 -14.674 -1.410 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.551 -13.172 -1.357 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -1.019 -14.485 -2.464 1.00 0.49 H new ATOM 0 HG21 VAL B 48 1.847 -15.170 -3.322 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.490 -15.002 -4.461 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.968 -14.036 -4.688 1.00 0.48 H new ATOM 1599 N ALA B 49 0.292 -10.279 -2.770 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.054 -9.114 -1.964 1.00 0.43 C ATOM 1601 C ALA B 49 -1.216 -8.347 -2.576 1.00 0.43 C ATOM 1602 O ALA B 49 -2.106 -7.891 -1.861 1.00 0.48 O ATOM 1603 CB ALA B 49 1.148 -8.195 -1.811 1.00 0.44 C ATOM 0 H ALA B 49 1.263 -10.297 -3.083 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.358 -9.471 -0.980 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.871 -7.331 -1.207 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.959 -8.735 -1.322 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.477 -7.859 -2.794 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.204 -8.217 -3.899 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.259 -7.509 -4.617 1.00 0.41 C ATOM 1611 C ILE B 50 -3.632 -8.093 -4.288 1.00 0.38 C ATOM 1612 O ILE B 50 -4.536 -7.372 -3.869 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.032 -7.556 -6.146 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -0.695 -6.901 -6.509 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.173 -6.867 -6.879 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.371 -6.950 -7.988 1.00 0.62 C ATOM 0 H ILE B 50 -0.471 -8.595 -4.499 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.225 -6.469 -4.291 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.004 -8.601 -6.456 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -0.711 -5.861 -6.185 1.00 0.53 H new ATOM 0 HG13 ILE B 50 0.103 -7.395 -5.955 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -2.994 -6.911 -7.953 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.111 -7.370 -6.646 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.232 -5.825 -6.563 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.590 -6.467 -8.166 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.321 -7.988 -8.315 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.148 -6.430 -8.548 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.768 -9.405 -4.447 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.037 -10.083 -4.184 1.00 0.43 C ATOM 1630 C GLN B 51 -5.363 -10.105 -2.694 1.00 0.43 C ATOM 1631 O GLN B 51 -6.533 -10.143 -2.306 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.014 -11.507 -4.740 1.00 0.51 C ATOM 1633 CG GLN B 51 -5.449 -11.612 -6.197 1.00 0.78 C ATOM 1634 CD GLN B 51 -4.682 -10.686 -7.120 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -3.619 -11.040 -7.628 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.229 -9.506 -7.368 1.00 1.35 N ATOM 0 H GLN B 51 -3.017 -10.022 -4.756 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.820 -9.519 -4.691 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.005 -11.907 -4.643 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.665 -12.134 -4.131 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -5.318 -12.640 -6.535 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -6.513 -11.386 -6.269 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -6.112 -9.250 -6.926 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -4.767 -8.853 -8.001 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.335 -10.077 -1.860 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.539 -10.037 -0.420 1.00 0.52 C ATOM 1647 C CYS B 52 -5.086 -8.677 0.005 1.00 0.53 C ATOM 1648 O CYS B 52 -6.041 -8.605 0.772 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.240 -10.351 0.320 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.593 -12.006 0.004 1.00 0.69 S ATOM 0 H CYS B 52 -3.358 -10.081 -2.152 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.272 -10.800 -0.157 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.486 -9.617 0.035 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.408 -10.237 1.391 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.213 -12.094 -1.236 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.493 -7.601 -0.515 1.00 0.49 N ATOM 1657 CA LEU B 53 -4.987 -6.249 -0.260 1.00 0.53 C ATOM 1658 C LEU B 53 -6.389 -6.098 -0.837 1.00 0.50 C ATOM 1659 O LEU B 53 -7.276 -5.511 -0.213 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.058 -5.205 -0.892 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.622 -5.183 -0.359 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.767 -4.234 -1.185 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.599 -4.774 1.106 1.00 0.61 C ATOM 0 H LEU B 53 -3.669 -7.641 -1.116 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.013 -6.087 0.818 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.024 -5.380 -1.967 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.496 -4.218 -0.743 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.210 -6.189 -0.442 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -0.749 -4.228 -0.795 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.756 -4.565 -2.224 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.182 -3.228 -1.129 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.570 -4.765 1.465 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.030 -3.778 1.213 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.181 -5.486 1.692 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.559 -6.644 -2.034 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.844 -6.691 -2.720 1.00 0.50 C ATOM 1677 C GLU B 54 -8.931 -7.237 -1.796 1.00 0.56 C ATOM 1678 O GLU B 54 -9.945 -6.584 -1.547 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.698 -7.590 -3.949 1.00 0.55 C ATOM 1680 CG GLU B 54 -8.925 -7.676 -4.833 1.00 0.73 C ATOM 1681 CD GLU B 54 -8.772 -8.730 -5.910 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -7.881 -8.588 -6.772 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.544 -9.709 -5.902 1.00 1.66 O ATOM 0 H GLU B 54 -5.799 -7.072 -2.563 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.137 -5.685 -3.020 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -6.863 -7.227 -4.548 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.438 -8.595 -3.616 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -9.798 -7.906 -4.222 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.107 -6.707 -5.297 1.00 0.73 H new ATOM 1690 N THR B 55 -8.684 -8.430 -1.273 1.00 0.61 N ATOM 1691 CA THR B 55 -9.631 -9.111 -0.404 1.00 0.77 C ATOM 1692 C THR B 55 -9.750 -8.416 0.956 1.00 0.83 C ATOM 1693 O THR B 55 -10.828 -8.371 1.551 1.00 0.98 O ATOM 1694 CB THR B 55 -9.197 -10.576 -0.199 1.00 0.95 C ATOM 1695 OG1 THR B 55 -8.974 -11.193 -1.476 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.245 -11.363 0.573 1.00 1.15 C ATOM 0 H THR B 55 -7.823 -8.951 -1.439 1.00 0.61 H new ATOM 0 HA THR B 55 -10.607 -9.079 -0.887 1.00 0.77 H new ATOM 0 HB THR B 55 -8.275 -10.580 0.383 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.118 -10.888 -1.842 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.907 -12.392 0.700 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.395 -10.907 1.552 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.185 -11.355 0.022 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.637 -7.869 1.433 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.583 -7.242 2.750 1.00 0.87 C ATOM 1706 C ALA B 56 -9.479 -6.015 2.836 1.00 0.88 C ATOM 1707 O ALA B 56 -10.355 -5.935 3.693 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.154 -6.861 3.089 1.00 0.89 C ATOM 0 H ALA B 56 -7.754 -7.847 0.923 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.950 -7.971 3.473 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.126 -6.394 4.074 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.530 -7.755 3.093 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.778 -6.160 2.344 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.258 -5.059 1.948 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.999 -3.814 1.980 1.00 1.05 C ATOM 1716 C PHE B 57 -11.373 -3.975 1.344 1.00 1.57 C ATOM 1717 O PHE B 57 -12.190 -3.054 1.366 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.214 -2.724 1.258 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.930 -2.338 1.940 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -6.762 -3.044 1.701 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -7.888 -1.256 2.803 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -5.578 -2.679 2.309 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -6.705 -0.889 3.419 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.549 -1.600 3.168 1.00 0.92 C ATOM 0 H PHE B 57 -8.571 -5.124 1.197 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.140 -3.529 3.022 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -8.988 -3.063 0.247 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.844 -1.839 1.164 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -6.778 -3.891 1.031 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -8.789 -0.692 2.997 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -4.675 -3.238 2.112 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -6.686 -0.047 4.095 1.00 1.50 H new ATOM 0 HZ PHE B 57 -4.623 -1.312 3.643 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.618 -5.152 0.780 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.882 -5.414 0.126 1.00 2.29 C ATOM 1736 C GLY B 58 -13.026 -4.626 -1.154 1.00 2.05 C ATOM 1737 O GLY B 58 -14.128 -4.235 -1.535 1.00 2.60 O ATOM 0 H GLY B 58 -10.960 -5.931 0.765 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -12.965 -6.479 -0.092 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.700 -5.162 0.801 1.00 2.29 H new ATOM 1741 N VAL B 59 -11.908 -4.397 -1.826 1.00 1.35 N ATOM 1742 CA VAL B 59 -11.903 -3.594 -3.035 1.00 1.13 C ATOM 1743 C VAL B 59 -11.767 -4.469 -4.270 1.00 1.04 C ATOM 1744 O VAL B 59 -11.153 -5.535 -4.227 1.00 1.22 O ATOM 1745 CB VAL B 59 -10.774 -2.540 -3.026 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.008 -1.515 -1.930 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.414 -3.196 -2.854 1.00 1.00 C ATOM 0 H VAL B 59 -10.993 -4.757 -1.553 1.00 1.35 H new ATOM 0 HA VAL B 59 -12.859 -3.071 -3.066 1.00 1.13 H new ATOM 0 HB VAL B 59 -10.785 -2.030 -3.989 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.202 -0.781 -1.940 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -11.960 -1.011 -2.100 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.031 -2.016 -0.962 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.638 -2.430 -2.851 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.389 -3.741 -1.910 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.237 -3.888 -3.677 1.00 1.00 H new ATOM 1757 N THR B 60 -12.367 -4.019 -5.354 1.00 1.17 N ATOM 1758 CA THR B 60 -12.313 -4.723 -6.623 1.00 1.30 C ATOM 1759 C THR B 60 -12.108 -3.736 -7.764 1.00 1.16 C ATOM 1760 O THR B 60 -11.819 -2.559 -7.527 1.00 1.14 O ATOM 1761 CB THR B 60 -13.603 -5.525 -6.881 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.741 -4.674 -6.705 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.704 -6.723 -5.950 1.00 2.38 C ATOM 0 H THR B 60 -12.907 -3.154 -5.381 1.00 1.17 H new ATOM 0 HA THR B 60 -11.474 -5.417 -6.574 1.00 1.30 H new ATOM 0 HB THR B 60 -13.576 -5.896 -7.906 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.560 -5.185 -6.871 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.625 -7.268 -6.157 1.00 2.38 H new ATOM 0 HG22 THR B 60 -12.849 -7.381 -6.109 1.00 2.38 H new ATOM 0 HG23 THR B 60 -13.710 -6.380 -4.915 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.237 -4.208 -8.997 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.165 -3.329 -10.157 1.00 1.59 C ATOM 1773 C VAL B 61 -13.276 -2.271 -10.100 1.00 1.83 C ATOM 1774 O VAL B 61 -13.167 -1.207 -10.706 1.00 2.11 O ATOM 1775 CB VAL B 61 -12.245 -4.132 -11.478 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -13.582 -4.848 -11.606 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.990 -3.234 -12.680 1.00 1.95 C ATOM 0 H VAL B 61 -12.392 -5.191 -9.220 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.200 -2.823 -10.133 1.00 1.59 H new ATOM 0 HB VAL B 61 -11.462 -4.890 -11.454 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -13.609 -5.404 -12.543 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.707 -5.538 -10.772 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -14.389 -4.116 -11.595 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -12.052 -3.824 -13.595 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.738 -2.442 -12.708 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.997 -2.792 -12.600 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.328 -2.554 -9.333 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.392 -1.581 -9.103 1.00 2.15 C ATOM 1789 C GLU B 62 -14.836 -0.370 -8.359 1.00 1.63 C ATOM 1790 O GLU B 62 -15.132 0.782 -8.689 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.522 -2.215 -8.291 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.142 -3.432 -8.956 1.00 3.13 C ATOM 1793 CD GLU B 62 -17.779 -3.104 -10.289 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.922 -2.605 -10.295 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -17.143 -3.348 -11.334 1.00 4.00 O ATOM 0 H GLU B 62 -14.465 -3.448 -8.862 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.788 -1.259 -10.066 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.137 -2.503 -7.313 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.299 -1.469 -8.121 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -16.375 -4.193 -9.101 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.894 -3.860 -8.293 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.999 -0.642 -7.367 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.347 0.408 -6.602 1.00 1.61 C ATOM 1804 C ASP B 63 -12.256 1.061 -7.435 1.00 1.59 C ATOM 1805 O ASP B 63 -11.769 2.137 -7.113 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.757 -0.162 -5.315 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.814 -0.768 -4.418 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -14.095 -1.975 -4.559 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -14.373 -0.042 -3.572 1.00 3.62 O ATOM 0 H ASP B 63 -13.756 -1.588 -7.073 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.089 1.162 -6.340 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.015 -0.921 -5.563 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.236 0.629 -4.776 1.00 1.89 H new ATOM 1814 N SER B 64 -11.884 0.396 -8.516 1.00 1.56 N ATOM 1815 CA SER B 64 -10.925 0.942 -9.459 1.00 1.82 C ATOM 1816 C SER B 64 -11.646 1.813 -10.487 1.00 1.73 C ATOM 1817 O SER B 64 -11.019 2.554 -11.244 1.00 1.91 O ATOM 1818 CB SER B 64 -10.166 -0.192 -10.149 1.00 2.42 C ATOM 1819 OG SER B 64 -9.625 -1.093 -9.194 1.00 2.92 O ATOM 0 H SER B 64 -12.235 -0.529 -8.763 1.00 1.56 H new ATOM 0 HA SER B 64 -10.206 1.561 -8.923 1.00 1.82 H new ATOM 0 HB2 SER B 64 -10.836 -0.727 -10.821 1.00 2.42 H new ATOM 0 HB3 SER B 64 -9.364 0.221 -10.761 1.00 2.42 H new ATOM 0 HG SER B 64 -10.354 -1.511 -8.689 1.00 2.92 H new ATOM 1825 N ASP B 65 -12.971 1.709 -10.511 1.00 1.68 N ATOM 1826 CA ASP B 65 -13.792 2.518 -11.402 1.00 2.03 C ATOM 1827 C ASP B 65 -14.005 3.905 -10.809 1.00 1.91 C ATOM 1828 O ASP B 65 -14.095 4.895 -11.533 1.00 2.28 O ATOM 1829 CB ASP B 65 -15.141 1.845 -11.663 1.00 2.26 C ATOM 1830 CG ASP B 65 -16.069 2.710 -12.491 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -15.794 2.904 -13.696 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -17.074 3.207 -11.939 1.00 3.35 O ATOM 0 H ASP B 65 -13.500 1.068 -9.920 1.00 1.68 H new ATOM 0 HA ASP B 65 -13.268 2.615 -12.353 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -14.978 0.898 -12.177 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.618 1.613 -10.711 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.061 3.974 -9.484 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.164 5.258 -8.788 1.00 1.62 C ATOM 1839 C LEU B 66 -12.793 5.941 -8.705 1.00 1.45 C ATOM 1840 O LEU B 66 -12.531 6.738 -7.803 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.798 5.081 -7.392 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.131 4.064 -6.451 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.025 4.707 -5.624 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.168 3.435 -5.535 1.00 1.57 C ATOM 0 H LEU B 66 -14.037 3.161 -8.869 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.823 5.909 -9.363 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.802 6.051 -6.895 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.839 4.787 -7.527 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.679 3.288 -7.069 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.577 3.958 -4.971 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.262 5.112 -6.289 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.444 5.512 -5.019 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -14.682 2.717 -4.874 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.645 4.212 -4.938 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -15.921 2.924 -6.135 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.942 5.616 -9.677 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.565 6.091 -9.732 1.00 1.26 C ATOM 1858 C ALA B 67 -10.454 7.596 -9.523 1.00 1.28 C ATOM 1859 O ALA B 67 -11.194 8.386 -10.115 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.937 5.705 -11.059 1.00 1.48 C ATOM 0 H ALA B 67 -12.195 5.008 -10.456 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.028 5.613 -8.913 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.908 6.063 -11.093 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.947 4.620 -11.164 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.504 6.154 -11.874 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.521 7.970 -8.664 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.228 9.363 -8.376 1.00 1.29 C ATOM 1868 C LEU B 68 -8.487 9.996 -9.552 1.00 1.56 C ATOM 1869 O LEU B 68 -7.903 9.271 -10.363 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.383 9.451 -7.101 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.034 8.864 -5.847 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.023 8.768 -4.719 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.225 9.705 -5.420 1.00 1.18 C ATOM 0 H LEU B 68 -8.942 7.311 -8.144 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.160 9.907 -8.224 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.437 8.937 -7.275 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.147 10.498 -6.912 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.387 7.860 -6.082 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.503 8.348 -3.835 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.198 8.124 -5.024 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.641 9.762 -4.487 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.675 9.272 -4.527 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.894 10.721 -5.204 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.962 9.727 -6.223 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.518 11.341 -9.673 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.876 12.074 -10.774 1.00 2.36 C ATOM 1887 C PRO B 69 -6.503 11.524 -11.160 1.00 2.25 C ATOM 1888 O PRO B 69 -6.212 11.327 -12.344 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.742 13.481 -10.205 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.925 13.632 -9.315 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.202 12.264 -8.742 1.00 2.06 C ATOM 0 HA PRO B 69 -8.457 12.005 -11.694 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.810 13.599 -9.652 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.741 14.231 -10.996 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.725 14.352 -8.522 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.786 14.002 -9.872 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.813 12.170 -7.728 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.272 12.061 -8.693 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.669 11.270 -10.165 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.348 10.715 -10.402 1.00 1.82 C ATOM 1901 C GLN B 70 -4.142 9.497 -9.521 1.00 1.41 C ATOM 1902 O GLN B 70 -4.785 9.365 -8.476 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.269 11.768 -10.130 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.106 12.129 -8.663 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.207 13.332 -8.466 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -0.986 13.204 -8.381 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -2.808 14.507 -8.353 1.00 2.76 N ATOM 0 H GLN B 70 -5.885 11.440 -9.183 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.269 10.413 -11.446 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.316 11.401 -10.510 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.510 12.671 -10.690 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.085 12.335 -8.230 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -2.692 11.276 -8.125 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -3.823 14.570 -8.430 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -2.256 15.349 -8.189 1.00 2.76 H new ATOM 1916 N THR B 71 -3.273 8.589 -9.944 1.00 1.34 N ATOM 1917 CA THR B 71 -2.994 7.418 -9.149 1.00 1.13 C ATOM 1918 C THR B 71 -2.243 7.810 -7.885 1.00 0.85 C ATOM 1919 O THR B 71 -1.373 8.682 -7.894 1.00 0.83 O ATOM 1920 CB THR B 71 -2.173 6.401 -9.962 1.00 1.22 C ATOM 1921 OG1 THR B 71 -1.799 6.969 -11.224 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.982 5.142 -10.205 1.00 1.55 C ATOM 0 H THR B 71 -2.759 8.646 -10.823 1.00 1.34 H new ATOM 0 HA THR B 71 -3.939 6.955 -8.867 1.00 1.13 H new ATOM 0 HB THR B 71 -1.278 6.149 -9.393 1.00 1.22 H new ATOM 0 HG1 THR B 71 -1.099 7.640 -11.086 1.00 1.53 H new ATOM 0 HG21 THR B 71 -2.387 4.433 -10.781 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.255 4.695 -9.249 1.00 1.55 H new ATOM 0 HG23 THR B 71 -3.886 5.392 -10.760 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.562 7.115 -6.810 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.109 7.484 -5.479 1.00 0.66 C ATOM 1932 C LEU B 72 -0.628 7.177 -5.226 1.00 0.66 C ATOM 1933 O LEU B 72 0.021 7.923 -4.495 1.00 0.67 O ATOM 1934 CB LEU B 72 -3.000 6.823 -4.437 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.458 7.281 -4.460 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -5.205 6.739 -3.252 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.537 8.801 -4.513 1.00 1.79 C ATOM 0 H LEU B 72 -3.143 6.277 -6.833 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.193 8.568 -5.398 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.970 5.744 -4.585 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.587 7.020 -3.448 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.934 6.885 -5.357 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -6.241 7.075 -3.284 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -5.176 5.649 -3.265 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -4.734 7.104 -2.339 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.582 9.111 -4.529 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.047 9.222 -3.635 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.038 9.160 -5.413 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.056 6.082 -5.776 1.00 0.75 N ATOM 1950 CA PRO B 73 1.395 5.860 -5.711 1.00 0.84 C ATOM 1951 C PRO B 73 2.203 7.080 -6.172 1.00 0.80 C ATOM 1952 O PRO B 73 3.309 7.318 -5.685 1.00 0.82 O ATOM 1953 CB PRO B 73 1.607 4.678 -6.651 1.00 1.03 C ATOM 1954 CG PRO B 73 0.336 3.912 -6.561 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.747 4.944 -6.424 1.00 0.84 C ATOM 0 HA PRO B 73 1.736 5.678 -4.692 1.00 0.84 H new ATOM 0 HB2 PRO B 73 1.801 5.010 -7.671 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.460 4.073 -6.344 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.184 3.299 -7.449 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.345 3.237 -5.705 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.160 5.224 -7.393 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.576 4.579 -5.817 1.00 0.84 H new ATOM 1963 N GLU B 74 1.640 7.857 -7.099 1.00 0.78 N ATOM 1964 CA GLU B 74 2.280 9.084 -7.566 1.00 0.78 C ATOM 1965 C GLU B 74 2.166 10.177 -6.510 1.00 0.64 C ATOM 1966 O GLU B 74 3.103 10.950 -6.302 1.00 0.64 O ATOM 1967 CB GLU B 74 1.644 9.560 -8.871 1.00 0.86 C ATOM 1968 CG GLU B 74 1.781 8.570 -10.009 1.00 1.21 C ATOM 1969 CD GLU B 74 1.134 9.063 -11.285 1.00 1.47 C ATOM 1970 OE1 GLU B 74 -0.072 8.817 -11.477 1.00 2.27 O ATOM 1971 OE2 GLU B 74 1.831 9.695 -12.108 1.00 1.67 O ATOM 0 H GLU B 74 0.742 7.657 -7.540 1.00 0.78 H new ATOM 0 HA GLU B 74 3.334 8.870 -7.746 1.00 0.78 H new ATOM 0 HB2 GLU B 74 0.586 9.758 -8.699 1.00 0.86 H new ATOM 0 HB3 GLU B 74 2.102 10.504 -9.165 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.838 8.376 -10.192 1.00 1.21 H new ATOM 0 HG3 GLU B 74 1.328 7.622 -9.718 1.00 1.21 H new ATOM 1978 N ILE B 75 1.012 10.233 -5.847 1.00 0.58 N ATOM 1979 CA ILE B 75 0.807 11.142 -4.721 1.00 0.53 C ATOM 1980 C ILE B 75 1.892 10.928 -3.679 1.00 0.49 C ATOM 1981 O ILE B 75 2.511 11.872 -3.202 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.570 10.920 -4.052 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.701 11.384 -4.966 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.642 11.635 -2.708 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.761 12.882 -5.131 1.00 1.37 C ATOM 0 H ILE B 75 0.201 9.656 -6.072 1.00 0.58 H new ATOM 0 HA ILE B 75 0.847 12.159 -5.111 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.689 9.851 -3.878 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.579 10.923 -5.946 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.651 11.032 -4.564 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.619 11.464 -2.257 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.135 11.248 -2.048 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.493 12.704 -2.856 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -2.587 13.142 -5.793 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -1.914 13.349 -4.158 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -0.825 13.238 -5.562 1.00 1.37 H new ATOM 1997 N PHE B 76 2.116 9.670 -3.347 1.00 0.50 N ATOM 1998 CA PHE B 76 3.134 9.294 -2.382 1.00 0.56 C ATOM 1999 C PHE B 76 4.525 9.663 -2.877 1.00 0.59 C ATOM 2000 O PHE B 76 5.349 10.152 -2.112 1.00 0.72 O ATOM 2001 CB PHE B 76 3.040 7.796 -2.100 1.00 0.65 C ATOM 2002 CG PHE B 76 2.431 7.446 -0.768 1.00 2.06 C ATOM 2003 CD1 PHE B 76 1.674 8.357 -0.041 1.00 2.34 C ATOM 2004 CD2 PHE B 76 2.622 6.187 -0.242 1.00 2.12 C ATOM 2005 CE1 PHE B 76 1.124 8.004 1.173 1.00 2.35 C ATOM 2006 CE2 PHE B 76 2.071 5.832 0.971 1.00 2.24 C ATOM 2007 CZ PHE B 76 1.320 6.740 1.675 1.00 2.37 C ATOM 0 H PHE B 76 1.599 8.882 -3.737 1.00 0.50 H new ATOM 0 HA PHE B 76 2.960 9.845 -1.458 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.451 7.327 -2.888 1.00 0.65 H new ATOM 0 HB3 PHE B 76 4.040 7.366 -2.151 1.00 0.65 H new ATOM 0 HD1 PHE B 76 1.515 9.352 -0.431 1.00 2.34 H new ATOM 0 HD2 PHE B 76 3.213 5.467 -0.789 1.00 2.12 H new ATOM 0 HE1 PHE B 76 0.539 8.721 1.730 1.00 2.35 H new ATOM 0 HE2 PHE B 76 2.230 4.840 1.367 1.00 2.24 H new ATOM 0 HZ PHE B 76 0.884 6.461 2.623 1.00 2.37 H new ATOM 2017 N GLU B 77 4.768 9.459 -4.158 1.00 0.62 N ATOM 2018 CA GLU B 77 6.058 9.784 -4.748 1.00 0.73 C ATOM 2019 C GLU B 77 6.340 11.286 -4.613 1.00 0.69 C ATOM 2020 O GLU B 77 7.489 11.712 -4.499 1.00 0.79 O ATOM 2021 CB GLU B 77 6.065 9.367 -6.217 1.00 0.89 C ATOM 2022 CG GLU B 77 7.439 8.992 -6.742 1.00 1.56 C ATOM 2023 CD GLU B 77 8.056 7.841 -5.970 1.00 1.93 C ATOM 2024 OE1 GLU B 77 7.386 6.797 -5.821 1.00 2.40 O ATOM 2025 OE2 GLU B 77 9.216 7.969 -5.521 1.00 2.51 O ATOM 0 H GLU B 77 4.090 9.069 -4.813 1.00 0.62 H new ATOM 0 HA GLU B 77 6.843 9.241 -4.221 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.393 8.519 -6.347 1.00 0.89 H new ATOM 0 HB3 GLU B 77 5.667 10.184 -6.819 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.362 8.720 -7.795 1.00 1.56 H new ATOM 0 HG3 GLU B 77 8.097 9.859 -6.684 1.00 1.56 H new ATOM 2032 N ALA B 78 5.273 12.078 -4.615 1.00 0.60 N ATOM 2033 CA ALA B 78 5.384 13.525 -4.498 1.00 0.61 C ATOM 2034 C ALA B 78 5.403 13.984 -3.038 1.00 0.60 C ATOM 2035 O ALA B 78 6.296 14.717 -2.619 1.00 0.64 O ATOM 2036 CB ALA B 78 4.233 14.193 -5.237 1.00 0.64 C ATOM 0 H ALA B 78 4.315 11.737 -4.697 1.00 0.60 H new ATOM 0 HA ALA B 78 6.332 13.820 -4.947 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.322 15.276 -5.146 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.266 13.914 -6.290 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.286 13.869 -4.805 1.00 0.64 H new ATOM 2042 N ALA B 79 4.413 13.543 -2.273 1.00 0.64 N ATOM 2043 CA ALA B 79 4.187 14.045 -0.922 1.00 0.75 C ATOM 2044 C ALA B 79 4.959 13.266 0.134 1.00 0.86 C ATOM 2045 O ALA B 79 5.581 13.851 1.018 1.00 0.99 O ATOM 2046 CB ALA B 79 2.704 13.994 -0.597 1.00 0.83 C ATOM 0 H ALA B 79 3.746 12.830 -2.569 1.00 0.64 H new ATOM 0 HA ALA B 79 4.550 15.073 -0.901 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.540 14.370 0.413 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.154 14.611 -1.308 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.352 12.964 -0.663 1.00 0.83 H new ATOM 2052 N ALA B 80 4.935 11.950 0.022 1.00 0.90 N ATOM 2053 CA ALA B 80 5.437 11.075 1.075 1.00 1.11 C ATOM 2054 C ALA B 80 6.958 11.104 1.176 1.00 1.26 C ATOM 2055 O ALA B 80 7.530 10.593 2.132 1.00 1.55 O ATOM 2056 CB ALA B 80 4.938 9.659 0.856 1.00 1.25 C ATOM 0 H ALA B 80 4.571 11.457 -0.793 1.00 0.90 H new ATOM 0 HA ALA B 80 5.052 11.448 2.024 1.00 1.11 H new ATOM 0 HB1 ALA B 80 5.318 9.013 1.647 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.848 9.651 0.873 1.00 1.25 H new ATOM 0 HB3 ALA B 80 5.289 9.295 -0.110 1.00 1.25 H new ATOM 2062 N THR B 81 7.613 11.694 0.189 1.00 1.23 N ATOM 2063 CA THR B 81 9.068 11.759 0.167 1.00 1.46 C ATOM 2064 C THR B 81 9.633 12.713 1.230 1.00 1.63 C ATOM 2065 O THR B 81 10.850 12.897 1.324 1.00 1.88 O ATOM 2066 CB THR B 81 9.565 12.173 -1.228 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.658 13.124 -1.804 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.687 10.960 -2.138 1.00 1.64 C ATOM 0 H THR B 81 7.160 12.136 -0.610 1.00 1.23 H new ATOM 0 HA THR B 81 9.432 10.759 0.404 1.00 1.46 H new ATOM 0 HB THR B 81 10.550 12.628 -1.124 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.261 12.746 -2.616 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.040 11.276 -3.120 1.00 1.64 H new ATOM 0 HG22 THR B 81 10.396 10.252 -1.708 1.00 1.64 H new ATOM 0 HG23 THR B 81 8.713 10.482 -2.239 1.00 1.64 H new ATOM 2076 N GLY B 82 8.756 13.309 2.033 1.00 1.68 N ATOM 2077 CA GLY B 82 9.202 14.180 3.102 1.00 2.13 C ATOM 2078 C GLY B 82 8.070 14.990 3.698 1.00 1.99 C ATOM 2079 O GLY B 82 7.058 15.214 3.033 1.00 2.59 O ATOM 0 H GLY B 82 7.744 13.203 1.961 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.667 13.581 3.885 1.00 2.13 H new ATOM 0 HA3 GLY B 82 9.967 14.856 2.721 1.00 2.13 H new ATOM 2083 N LYS B 83 8.254 15.420 4.950 1.00 1.88 N ATOM 2084 CA LYS B 83 7.265 16.225 5.677 1.00 2.11 C ATOM 2085 C LYS B 83 6.024 15.412 6.028 1.00 2.84 C ATOM 2086 O LYS B 83 5.108 15.321 5.188 1.00 3.19 O ATOM 2087 CB LYS B 83 6.867 17.475 4.886 1.00 2.30 C ATOM 2088 CG LYS B 83 7.969 18.517 4.781 1.00 2.77 C ATOM 2089 CD LYS B 83 7.511 19.733 3.991 1.00 3.43 C ATOM 2090 CE LYS B 83 6.281 20.379 4.613 1.00 3.92 C ATOM 2091 NZ LYS B 83 5.843 21.582 3.859 1.00 4.40 N ATOM 2092 OXT LYS B 83 5.964 14.882 7.160 1.00 3.61 O ATOM 0 H LYS B 83 9.096 15.219 5.490 1.00 1.88 H new ATOM 0 HA LYS B 83 7.740 16.541 6.606 1.00 2.11 H new ATOM 0 HB2 LYS B 83 6.566 17.177 3.882 1.00 2.30 H new ATOM 0 HB3 LYS B 83 5.996 17.929 5.358 1.00 2.30 H new ATOM 0 HG2 LYS B 83 8.276 18.825 5.780 1.00 2.77 H new ATOM 0 HG3 LYS B 83 8.843 18.077 4.300 1.00 2.77 H new ATOM 0 HD2 LYS B 83 8.320 20.462 3.944 1.00 3.43 H new ATOM 0 HD3 LYS B 83 7.288 19.438 2.966 1.00 3.43 H new ATOM 0 HE2 LYS B 83 5.467 19.654 4.644 1.00 3.92 H new ATOM 0 HE3 LYS B 83 6.500 20.657 5.644 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 5.003 21.991 4.316 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 6.610 22.285 3.851 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 5.609 21.313 2.882 1.00 4.40 H new