USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 81:sc= 0.725 USER MOD Set 1.2: A 38 THR OG1 : rot -65:sc= 1.85 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= 0.517 (180deg=0.0568) USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 1.23 (180deg=0.986) USER MOD Single : A 11 TYR OH : rot -125:sc= 1.31 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 18 LYS NZ :NH3+ 159:sc=-0.00656 (180deg=-0.0975) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0345) USER MOD Single : A 20 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 21 ASN : amide:sc= -0.371 K(o=-0.37,f=-4.8!) USER MOD Single : A 22 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0088) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 118:sc= 1.31 USER MOD Single : A 31 HIS : no HD1:sc= 1.16 K(o=1.2,f=-5.7!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.2) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-1.8) USER MOD Single : A 54 GLN : amide:sc= 0.0317 K(o=0.032,f=-1.7) USER MOD Single : A 60 THR OG1 : rot 115:sc= 1.31 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 68 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=-0.0022) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00632 USER MOD Single : A 70 THR OG1 : rot 93:sc= 0.0778 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -36:sc= 0.209 USER MOD Single : A 85 HIS : no HE2:sc= -0.473 K(o=-0.47,f=-7.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -161:sc=-0.00656 (180deg=-0.146) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -115:sc= 1.7 (180deg=-1.17!) USER MOD Single : A 96 MET CE :methyl 158:sc= -0.157 (180deg=-0.825) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0479 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.849 -11.144 17.128 1.00 0.86 N ATOM 21 CA ALA A 2 17.818 -10.227 16.651 1.00 0.87 C ATOM 22 C ALA A 2 17.968 -9.957 15.156 1.00 0.72 C ATOM 23 O ALA A 2 17.810 -8.825 14.695 1.00 0.87 O ATOM 24 CB ALA A 2 17.876 -8.923 17.436 1.00 1.10 C ATOM 0 HA ALA A 2 16.846 -10.694 16.809 1.00 0.87 H new ATOM 0 HB1 ALA A 2 17.103 -8.245 17.073 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.712 -9.128 18.494 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.855 -8.462 17.303 1.00 1.10 H new ATOM 30 N ALA A 3 18.266 -11.001 14.401 1.00 0.71 N ATOM 31 CA ALA A 3 18.439 -10.877 12.960 1.00 0.72 C ATOM 32 C ALA A 3 17.744 -12.017 12.228 1.00 0.70 C ATOM 33 O ALA A 3 18.106 -13.183 12.396 1.00 1.05 O ATOM 34 CB ALA A 3 19.918 -10.840 12.606 1.00 0.96 C ATOM 0 H ALA A 3 18.394 -11.947 14.761 1.00 0.71 H new ATOM 0 HA ALA A 3 17.980 -9.941 12.641 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.031 -10.747 11.526 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.388 -9.987 13.095 1.00 0.96 H new ATOM 0 HB3 ALA A 3 20.396 -11.760 12.943 1.00 0.96 H new ATOM 40 N GLN A 4 16.735 -11.677 11.437 1.00 0.66 N ATOM 41 CA GLN A 4 15.993 -12.670 10.672 1.00 0.68 C ATOM 42 C GLN A 4 15.511 -12.079 9.351 1.00 0.66 C ATOM 43 O GLN A 4 15.129 -10.910 9.284 1.00 0.81 O ATOM 44 CB GLN A 4 14.800 -13.195 11.481 1.00 0.83 C ATOM 45 CG GLN A 4 13.865 -12.104 11.973 1.00 0.97 C ATOM 46 CD GLN A 4 12.621 -12.652 12.639 1.00 1.33 C ATOM 47 OE1 GLN A 4 12.635 -13.750 13.201 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.538 -11.898 12.578 1.00 1.63 N ATOM 0 H GLN A 4 16.411 -10.718 11.308 1.00 0.66 H new ATOM 0 HA GLN A 4 16.663 -13.503 10.458 1.00 0.68 H new ATOM 0 HB2 GLN A 4 14.235 -13.894 10.865 1.00 0.83 H new ATOM 0 HB3 GLN A 4 15.173 -13.755 12.339 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.398 -11.466 12.678 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.574 -11.475 11.132 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.571 -10.996 12.103 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.669 -12.218 13.006 1.00 1.63 H new ATOM 57 N SER A 5 15.548 -12.883 8.302 1.00 0.71 N ATOM 58 CA SER A 5 15.108 -12.435 6.991 1.00 0.76 C ATOM 59 C SER A 5 14.047 -13.379 6.432 1.00 0.73 C ATOM 60 O SER A 5 14.359 -14.451 5.908 1.00 1.11 O ATOM 61 CB SER A 5 16.301 -12.333 6.039 1.00 0.98 C ATOM 62 OG SER A 5 17.319 -11.514 6.595 1.00 1.18 O ATOM 0 H SER A 5 15.878 -13.848 8.332 1.00 0.71 H new ATOM 0 HA SER A 5 14.662 -11.445 7.091 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.698 -13.328 5.837 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.976 -11.920 5.084 1.00 0.98 H new ATOM 0 HG SER A 5 18.074 -11.462 5.972 1.00 1.18 H new ATOM 68 N ASP A 6 12.789 -12.980 6.572 1.00 0.62 N ATOM 69 CA ASP A 6 11.674 -13.777 6.083 1.00 0.68 C ATOM 70 C ASP A 6 10.877 -13.001 5.048 1.00 0.58 C ATOM 71 O ASP A 6 10.708 -11.783 5.166 1.00 0.80 O ATOM 72 CB ASP A 6 10.751 -14.185 7.234 1.00 0.89 C ATOM 73 CG ASP A 6 11.027 -15.587 7.738 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.369 -16.463 6.917 1.00 1.98 O ATOM 75 OD2 ASP A 6 10.900 -15.825 8.958 1.00 2.18 O ATOM 0 H ASP A 6 12.516 -12.106 7.022 1.00 0.62 H new ATOM 0 HA ASP A 6 12.084 -14.675 5.622 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.868 -13.479 8.056 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.714 -14.120 6.903 1.00 0.89 H new ATOM 80 N LYS A 7 10.399 -13.698 4.031 1.00 0.54 N ATOM 81 CA LYS A 7 9.609 -13.070 2.985 1.00 0.58 C ATOM 82 C LYS A 7 8.213 -13.669 2.978 1.00 0.53 C ATOM 83 O LYS A 7 8.024 -14.832 2.617 1.00 0.85 O ATOM 84 CB LYS A 7 10.279 -13.232 1.617 1.00 0.81 C ATOM 85 CG LYS A 7 11.527 -12.372 1.442 1.00 1.05 C ATOM 86 CD LYS A 7 11.253 -10.904 1.747 1.00 1.24 C ATOM 87 CE LYS A 7 12.472 -10.037 1.471 1.00 1.58 C ATOM 88 NZ LYS A 7 12.352 -8.694 2.101 1.00 1.91 N ATOM 0 H LYS A 7 10.544 -14.700 3.907 1.00 0.54 H new ATOM 0 HA LYS A 7 9.538 -12.002 3.189 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.547 -14.279 1.475 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.561 -12.978 0.838 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.315 -12.738 2.099 1.00 1.05 H new ATOM 0 HG3 LYS A 7 11.894 -12.468 0.420 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.415 -10.557 1.143 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.959 -10.798 2.791 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.365 -10.536 1.847 1.00 1.58 H new ATOM 0 HE3 LYS A 7 12.600 -9.923 0.395 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 13.283 -8.390 2.451 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.006 -8.010 1.398 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.683 -8.742 2.895 1.00 1.91 H new ATOM 102 N ASP A 8 7.240 -12.879 3.401 1.00 0.50 N ATOM 103 CA ASP A 8 5.861 -13.335 3.461 1.00 0.54 C ATOM 104 C ASP A 8 4.978 -12.542 2.510 1.00 0.51 C ATOM 105 O ASP A 8 5.042 -11.315 2.464 1.00 0.83 O ATOM 106 CB ASP A 8 5.329 -13.210 4.890 1.00 0.75 C ATOM 107 CG ASP A 8 3.865 -13.584 5.010 1.00 1.00 C ATOM 108 OD1 ASP A 8 3.561 -14.793 5.050 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.015 -12.673 5.085 1.00 1.72 O ATOM 0 H ASP A 8 7.380 -11.917 3.709 1.00 0.50 H new ATOM 0 HA ASP A 8 5.838 -14.381 3.156 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.917 -13.849 5.548 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.466 -12.185 5.235 1.00 0.75 H new ATOM 114 N VAL A 9 4.163 -13.247 1.744 1.00 0.39 N ATOM 115 CA VAL A 9 3.259 -12.606 0.808 1.00 0.35 C ATOM 116 C VAL A 9 1.814 -12.966 1.147 1.00 0.33 C ATOM 117 O VAL A 9 1.374 -14.101 0.943 1.00 0.44 O ATOM 118 CB VAL A 9 3.596 -12.983 -0.661 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.727 -14.492 -0.837 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.561 -12.413 -1.625 1.00 0.47 C ATOM 0 H VAL A 9 4.110 -14.266 1.753 1.00 0.39 H new ATOM 0 HA VAL A 9 3.383 -11.527 0.900 1.00 0.35 H new ATOM 0 HB VAL A 9 4.562 -12.538 -0.897 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.963 -14.718 -1.877 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.524 -14.865 -0.195 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.787 -14.973 -0.566 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.822 -12.692 -2.646 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.577 -12.812 -1.380 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.544 -11.327 -1.539 1.00 0.47 H new ATOM 130 N LYS A 10 1.091 -12.013 1.712 1.00 0.30 N ATOM 131 CA LYS A 10 -0.296 -12.236 2.085 1.00 0.34 C ATOM 132 C LYS A 10 -1.240 -11.456 1.179 1.00 0.34 C ATOM 133 O LYS A 10 -1.089 -10.247 0.999 1.00 0.48 O ATOM 134 CB LYS A 10 -0.533 -11.838 3.543 1.00 0.42 C ATOM 135 CG LYS A 10 -0.476 -13.008 4.509 1.00 0.93 C ATOM 136 CD LYS A 10 -1.010 -12.624 5.880 1.00 0.98 C ATOM 137 CE LYS A 10 -0.076 -11.662 6.609 1.00 1.27 C ATOM 138 NZ LYS A 10 1.225 -12.293 6.952 1.00 1.97 N ATOM 0 H LYS A 10 1.441 -11.078 1.922 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.502 -13.300 1.968 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.214 -11.100 3.835 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -1.507 -11.356 3.626 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.058 -13.839 4.110 1.00 0.93 H new ATOM 0 HG3 LYS A 10 0.553 -13.355 4.602 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.992 -12.163 5.771 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.145 -13.523 6.481 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.101 -10.786 5.984 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.559 -11.311 7.521 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 1.786 -11.638 7.533 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 1.056 -13.170 7.484 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 1.745 -12.513 6.079 1.00 1.97 H new ATOM 152 N TYR A 11 -2.201 -12.155 0.600 1.00 0.34 N ATOM 153 CA TYR A 11 -3.179 -11.526 -0.270 1.00 0.35 C ATOM 154 C TYR A 11 -4.315 -10.964 0.574 1.00 0.33 C ATOM 155 O TYR A 11 -5.217 -11.695 0.987 1.00 0.39 O ATOM 156 CB TYR A 11 -3.711 -12.531 -1.300 1.00 0.43 C ATOM 157 CG TYR A 11 -2.808 -12.690 -2.505 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.554 -13.279 -2.391 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.211 -12.239 -3.753 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.729 -13.414 -3.491 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.391 -12.367 -4.856 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.151 -12.954 -4.722 1.00 0.83 C ATOM 163 OH TYR A 11 -0.329 -13.076 -5.821 1.00 1.03 O ATOM 0 H TYR A 11 -2.325 -13.161 0.717 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.704 -10.711 -0.816 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.837 -13.501 -0.819 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.698 -12.210 -1.634 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.220 -13.636 -1.428 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.182 -11.780 -3.864 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.241 -13.877 -3.388 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.720 -12.009 -5.820 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.196 -12.195 -6.230 1.00 1.03 H new ATOM 173 N TYR A 12 -4.247 -9.667 0.845 1.00 0.37 N ATOM 174 CA TYR A 12 -5.247 -8.997 1.664 1.00 0.41 C ATOM 175 C TYR A 12 -6.480 -8.638 0.848 1.00 0.42 C ATOM 176 O TYR A 12 -6.404 -8.432 -0.368 1.00 0.45 O ATOM 177 CB TYR A 12 -4.661 -7.729 2.295 1.00 0.45 C ATOM 178 CG TYR A 12 -3.691 -7.995 3.428 1.00 0.51 C ATOM 179 CD1 TYR A 12 -4.147 -8.417 4.668 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.324 -7.816 3.256 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.269 -8.656 5.707 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.439 -8.053 4.293 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.918 -8.473 5.514 1.00 0.82 C ATOM 184 OH TYR A 12 -1.044 -8.713 6.551 1.00 1.02 O ATOM 0 H TYR A 12 -3.504 -9.055 0.507 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.544 -9.689 2.452 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.152 -7.153 1.522 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.478 -7.110 2.667 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -5.206 -8.561 4.824 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.947 -7.487 2.299 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.640 -8.985 6.666 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.379 -7.909 4.146 1.00 0.82 H new ATOM 0 HH TYR A 12 -0.127 -8.538 6.253 1.00 1.02 H new ATOM 194 N THR A 13 -7.612 -8.579 1.526 1.00 0.47 N ATOM 195 CA THR A 13 -8.869 -8.231 0.900 1.00 0.51 C ATOM 196 C THR A 13 -8.945 -6.724 0.664 1.00 0.47 C ATOM 197 O THR A 13 -8.260 -5.948 1.339 1.00 0.46 O ATOM 198 CB THR A 13 -10.042 -8.687 1.785 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.540 -9.096 3.068 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.790 -9.841 1.134 1.00 0.86 C ATOM 0 H THR A 13 -7.683 -8.771 2.525 1.00 0.47 H new ATOM 0 HA THR A 13 -8.933 -8.738 -0.063 1.00 0.51 H new ATOM 0 HB THR A 13 -10.734 -7.854 1.908 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.286 -9.385 3.634 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.615 -10.148 1.776 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.181 -9.522 0.168 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.110 -10.681 0.991 1.00 0.86 H new ATOM 208 N LEU A 14 -9.768 -6.315 -0.292 1.00 0.50 N ATOM 209 CA LEU A 14 -9.924 -4.900 -0.624 1.00 0.51 C ATOM 210 C LEU A 14 -10.429 -4.107 0.576 1.00 0.48 C ATOM 211 O LEU A 14 -9.938 -3.018 0.870 1.00 0.51 O ATOM 212 CB LEU A 14 -10.896 -4.742 -1.796 1.00 0.58 C ATOM 213 CG LEU A 14 -11.058 -3.317 -2.328 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.802 -2.874 -3.057 1.00 1.00 C ATOM 215 CD2 LEU A 14 -12.260 -3.229 -3.252 1.00 0.95 C ATOM 0 H LEU A 14 -10.341 -6.944 -0.855 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.947 -4.508 -0.907 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.560 -5.380 -2.613 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.874 -5.109 -1.486 1.00 0.58 H new ATOM 0 HG LEU A 14 -11.220 -2.651 -1.480 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.936 -1.858 -3.428 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.955 -2.901 -2.372 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.612 -3.545 -3.895 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.361 -2.209 -3.622 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -12.122 -3.908 -4.094 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -13.161 -3.507 -2.705 1.00 0.95 H new ATOM 227 N GLU A 15 -11.393 -4.675 1.277 1.00 0.50 N ATOM 228 CA GLU A 15 -11.986 -4.029 2.444 1.00 0.53 C ATOM 229 C GLU A 15 -11.040 -4.036 3.644 1.00 0.51 C ATOM 230 O GLU A 15 -11.315 -3.395 4.654 1.00 0.61 O ATOM 231 CB GLU A 15 -13.304 -4.713 2.816 1.00 0.61 C ATOM 232 CG GLU A 15 -13.223 -6.231 2.834 1.00 0.67 C ATOM 233 CD GLU A 15 -13.553 -6.848 1.490 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.644 -6.964 0.641 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.723 -7.222 1.274 1.00 1.05 O ATOM 0 H GLU A 15 -11.788 -5.590 1.060 1.00 0.50 H new ATOM 0 HA GLU A 15 -12.177 -2.989 2.178 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.619 -4.363 3.799 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -14.074 -4.408 2.107 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.219 -6.534 3.132 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.910 -6.619 3.586 1.00 0.67 H new ATOM 242 N GLU A 16 -9.932 -4.753 3.533 1.00 0.46 N ATOM 243 CA GLU A 16 -8.967 -4.831 4.622 1.00 0.50 C ATOM 244 C GLU A 16 -7.888 -3.760 4.471 1.00 0.46 C ATOM 245 O GLU A 16 -7.589 -3.021 5.412 1.00 0.51 O ATOM 246 CB GLU A 16 -8.332 -6.228 4.662 1.00 0.58 C ATOM 247 CG GLU A 16 -7.371 -6.448 5.825 1.00 1.05 C ATOM 248 CD GLU A 16 -8.018 -6.223 7.175 1.00 1.60 C ATOM 249 OE1 GLU A 16 -8.583 -7.185 7.739 1.00 2.19 O ATOM 250 OE2 GLU A 16 -7.956 -5.083 7.682 1.00 2.32 O ATOM 0 H GLU A 16 -9.678 -5.288 2.703 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.491 -4.653 5.561 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.125 -6.973 4.716 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.798 -6.398 3.727 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.981 -7.465 5.780 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.520 -5.775 5.719 1.00 1.05 H new ATOM 257 N ILE A 17 -7.324 -3.657 3.273 1.00 0.42 N ATOM 258 CA ILE A 17 -6.265 -2.686 3.008 1.00 0.44 C ATOM 259 C ILE A 17 -6.756 -1.239 3.120 1.00 0.43 C ATOM 260 O ILE A 17 -5.994 -0.351 3.502 1.00 0.48 O ATOM 261 CB ILE A 17 -5.609 -2.906 1.622 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.661 -3.075 0.519 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.687 -4.116 1.658 1.00 0.58 C ATOM 264 CD1 ILE A 17 -7.048 -1.778 -0.162 1.00 0.98 C ATOM 0 H ILE A 17 -7.581 -4.232 2.470 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.514 -2.852 3.781 1.00 0.44 H new ATOM 0 HB ILE A 17 -5.023 -2.017 1.390 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.279 -3.768 -0.231 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.554 -3.529 0.948 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.234 -4.257 0.677 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.904 -3.955 2.399 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.262 -5.003 1.924 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.796 -1.979 -0.929 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.461 -1.089 0.575 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -6.167 -1.332 -0.622 1.00 0.98 H new ATOM 276 N LYS A 18 -8.028 -1.003 2.812 1.00 0.42 N ATOM 277 CA LYS A 18 -8.585 0.347 2.870 1.00 0.48 C ATOM 278 C LYS A 18 -9.216 0.639 4.230 1.00 0.50 C ATOM 279 O LYS A 18 -9.883 1.660 4.410 1.00 0.63 O ATOM 280 CB LYS A 18 -9.615 0.557 1.753 1.00 0.56 C ATOM 281 CG LYS A 18 -10.902 -0.242 1.923 1.00 0.53 C ATOM 282 CD LYS A 18 -12.091 0.664 2.207 1.00 0.87 C ATOM 283 CE LYS A 18 -12.295 1.693 1.103 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.117 3.084 1.599 1.00 1.48 N ATOM 0 H LYS A 18 -8.690 -1.723 2.521 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.760 1.045 2.726 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.864 1.617 1.700 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -9.159 0.289 0.800 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -11.093 -0.821 1.020 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.783 -0.954 2.740 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.992 0.059 2.311 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.939 1.176 3.157 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -11.589 1.503 0.295 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -13.295 1.582 0.684 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.910 3.714 0.798 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.989 3.399 2.071 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.328 3.113 2.276 1.00 1.48 H new ATOM 298 N LYS A 19 -9.006 -0.254 5.182 1.00 0.47 N ATOM 299 CA LYS A 19 -9.560 -0.081 6.518 1.00 0.53 C ATOM 300 C LYS A 19 -8.445 0.014 7.550 1.00 0.54 C ATOM 301 O LYS A 19 -8.590 0.666 8.586 1.00 0.67 O ATOM 302 CB LYS A 19 -10.486 -1.249 6.848 1.00 0.60 C ATOM 303 CG LYS A 19 -11.479 -0.954 7.961 1.00 0.84 C ATOM 304 CD LYS A 19 -12.892 -1.352 7.558 1.00 1.09 C ATOM 305 CE LYS A 19 -12.997 -2.841 7.266 1.00 1.31 C ATOM 306 NZ LYS A 19 -12.818 -3.663 8.491 1.00 1.68 N ATOM 0 H LYS A 19 -8.458 -1.105 5.057 1.00 0.47 H new ATOM 0 HA LYS A 19 -10.132 0.847 6.544 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -11.036 -1.529 5.949 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.881 -2.110 7.133 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.190 -1.494 8.863 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.453 0.108 8.203 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.586 -1.088 8.356 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -13.191 -0.786 6.676 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.970 -3.056 6.824 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.244 -3.120 6.529 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -13.014 -4.661 8.271 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -11.840 -3.569 8.832 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -13.475 -3.335 9.228 1.00 1.68 H new ATOM 320 N HIS A 20 -7.329 -0.631 7.250 1.00 0.55 N ATOM 321 CA HIS A 20 -6.186 -0.640 8.147 1.00 0.59 C ATOM 322 C HIS A 20 -5.421 0.680 8.101 1.00 0.58 C ATOM 323 O HIS A 20 -4.725 1.027 9.052 1.00 0.66 O ATOM 324 CB HIS A 20 -5.255 -1.791 7.783 1.00 0.68 C ATOM 325 CG HIS A 20 -5.141 -2.836 8.853 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.935 -3.964 8.900 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.313 -2.921 9.922 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.598 -4.695 9.945 1.00 1.07 C ATOM 329 NE2 HIS A 20 -4.618 -4.086 10.579 1.00 1.13 N ATOM 0 H HIS A 20 -7.191 -1.158 6.387 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.559 -0.773 9.163 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.613 -2.260 6.866 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.263 -1.391 7.571 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.669 -4.196 8.230 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.555 -2.206 10.204 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.049 -5.633 10.232 1.00 1.07 H new ATOM 338 N ASN A 21 -5.567 1.410 6.999 1.00 0.58 N ATOM 339 CA ASN A 21 -4.879 2.688 6.806 1.00 0.61 C ATOM 340 C ASN A 21 -5.225 3.693 7.907 1.00 0.60 C ATOM 341 O ASN A 21 -6.324 4.243 7.950 1.00 0.75 O ATOM 342 CB ASN A 21 -5.211 3.275 5.418 1.00 0.72 C ATOM 343 CG ASN A 21 -6.703 3.481 5.174 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.543 2.761 5.711 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.041 4.460 4.347 1.00 0.88 N ATOM 0 H ASN A 21 -6.162 1.136 6.217 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.808 2.495 6.863 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.699 4.231 5.307 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.816 2.611 4.650 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.024 4.635 4.139 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.318 5.038 3.919 1.00 0.88 H new ATOM 352 N HIS A 22 -4.280 3.913 8.818 1.00 0.64 N ATOM 353 CA HIS A 22 -4.480 4.852 9.918 1.00 0.76 C ATOM 354 C HIS A 22 -3.232 5.702 10.135 1.00 0.88 C ATOM 355 O HIS A 22 -3.101 6.780 9.559 1.00 1.61 O ATOM 356 CB HIS A 22 -4.845 4.110 11.212 1.00 0.83 C ATOM 357 CG HIS A 22 -6.276 3.672 11.274 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.678 2.484 11.841 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.403 4.269 10.821 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.988 2.366 11.724 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.454 3.438 11.111 1.00 1.09 N ATOM 0 H HIS A 22 -3.369 3.454 8.816 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.308 5.509 9.651 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.202 3.235 11.312 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.636 4.758 12.063 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -7.463 5.225 10.322 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.579 1.532 12.072 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.433 3.618 10.890 1.00 1.09 H new ATOM 370 N SER A 23 -2.322 5.214 10.966 1.00 0.60 N ATOM 371 CA SER A 23 -1.086 5.931 11.259 1.00 0.62 C ATOM 372 C SER A 23 0.078 4.956 11.389 1.00 0.52 C ATOM 373 O SER A 23 1.173 5.195 10.873 1.00 0.62 O ATOM 374 CB SER A 23 -1.248 6.734 12.550 1.00 0.84 C ATOM 375 OG SER A 23 -1.936 5.975 13.533 1.00 1.32 O ATOM 0 H SER A 23 -2.416 4.322 11.451 1.00 0.60 H new ATOM 0 HA SER A 23 -0.872 6.614 10.437 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.268 7.024 12.928 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.796 7.654 12.345 1.00 0.84 H new ATOM 0 HG SER A 23 -2.028 6.506 14.351 1.00 1.32 H new ATOM 381 N LYS A 24 -0.166 3.860 12.090 1.00 0.51 N ATOM 382 CA LYS A 24 0.841 2.827 12.284 1.00 0.51 C ATOM 383 C LYS A 24 0.485 1.589 11.467 1.00 0.44 C ATOM 384 O LYS A 24 0.900 0.474 11.784 1.00 0.45 O ATOM 385 CB LYS A 24 0.968 2.469 13.767 1.00 0.71 C ATOM 386 CG LYS A 24 -0.361 2.194 14.457 1.00 0.97 C ATOM 387 CD LYS A 24 -0.598 3.163 15.604 1.00 1.41 C ATOM 388 CE LYS A 24 0.417 2.969 16.721 1.00 1.88 C ATOM 389 NZ LYS A 24 0.235 3.956 17.814 1.00 2.36 N ATOM 0 H LYS A 24 -1.061 3.661 12.538 1.00 0.51 H new ATOM 0 HA LYS A 24 1.802 3.210 11.942 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.604 1.589 13.864 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.472 3.285 14.285 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.173 2.277 13.734 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.373 1.171 14.834 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.541 4.187 15.234 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -1.605 3.022 15.998 1.00 1.41 H new ATOM 0 HE2 LYS A 24 0.325 1.960 17.124 1.00 1.88 H new ATOM 0 HE3 LYS A 24 1.425 3.059 16.315 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 0.946 3.789 18.554 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 0.348 4.918 17.435 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.717 3.854 18.219 1.00 2.36 H new ATOM 403 N SER A 25 -0.280 1.809 10.410 1.00 0.43 N ATOM 404 CA SER A 25 -0.716 0.742 9.525 1.00 0.42 C ATOM 405 C SER A 25 -1.032 1.324 8.151 1.00 0.42 C ATOM 406 O SER A 25 -1.991 0.928 7.489 1.00 0.50 O ATOM 407 CB SER A 25 -1.946 0.048 10.121 1.00 0.48 C ATOM 408 OG SER A 25 -2.782 0.982 10.791 1.00 0.83 O ATOM 0 H SER A 25 -0.616 2.734 10.141 1.00 0.43 H new ATOM 0 HA SER A 25 0.076 0.001 9.417 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.509 -0.447 9.329 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.629 -0.727 10.818 1.00 0.48 H new ATOM 0 HG SER A 25 -3.657 1.012 10.351 1.00 0.83 H new ATOM 414 N THR A 26 -0.218 2.284 7.749 1.00 0.42 N ATOM 415 CA THR A 26 -0.377 2.957 6.473 1.00 0.43 C ATOM 416 C THR A 26 0.165 2.106 5.323 1.00 0.36 C ATOM 417 O THR A 26 1.366 2.103 5.047 1.00 0.41 O ATOM 418 CB THR A 26 0.347 4.309 6.512 1.00 0.51 C ATOM 419 OG1 THR A 26 0.153 4.908 7.802 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.165 5.247 5.432 1.00 0.56 C ATOM 0 H THR A 26 0.573 2.619 8.299 1.00 0.42 H new ATOM 0 HA THR A 26 -1.441 3.115 6.299 1.00 0.43 H new ATOM 0 HB THR A 26 1.408 4.137 6.330 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.788 4.522 8.441 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.370 6.195 5.490 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.002 4.797 4.452 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.231 5.423 5.578 1.00 0.56 H new ATOM 428 N TRP A 27 -0.729 1.377 4.665 1.00 0.35 N ATOM 429 CA TRP A 27 -0.351 0.519 3.549 1.00 0.33 C ATOM 430 C TRP A 27 -0.643 1.203 2.220 1.00 0.32 C ATOM 431 O TRP A 27 -1.659 1.890 2.071 1.00 0.36 O ATOM 432 CB TRP A 27 -1.102 -0.817 3.619 1.00 0.38 C ATOM 433 CG TRP A 27 -0.793 -1.632 4.843 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.289 -1.508 5.666 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.574 -2.713 5.371 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.225 -2.436 6.676 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.909 -3.187 6.517 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.776 -3.319 4.989 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -1.399 -4.243 7.280 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -3.261 -4.369 5.748 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.575 -4.819 6.883 1.00 0.71 C ATOM 0 H TRP A 27 -1.725 1.363 4.887 1.00 0.35 H new ATOM 0 HA TRP A 27 0.720 0.329 3.619 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.174 -0.621 3.587 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.859 -1.405 2.734 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.081 -0.784 5.541 1.00 0.43 H new ATOM 0 HE1 TRP A 27 0.910 -2.548 7.423 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.314 -2.974 4.119 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.870 -4.595 8.154 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -4.184 -4.850 5.460 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.983 -5.638 7.457 1.00 0.71 H new ATOM 452 N LEU A 28 0.251 1.011 1.260 1.00 0.32 N ATOM 453 CA LEU A 28 0.099 1.600 -0.063 1.00 0.33 C ATOM 454 C LEU A 28 0.060 0.513 -1.132 1.00 0.32 C ATOM 455 O LEU A 28 0.805 -0.466 -1.055 1.00 0.32 O ATOM 456 CB LEU A 28 1.250 2.569 -0.366 1.00 0.36 C ATOM 457 CG LEU A 28 1.180 3.929 0.336 1.00 0.56 C ATOM 458 CD1 LEU A 28 2.399 4.769 -0.003 1.00 0.85 C ATOM 459 CD2 LEU A 28 -0.081 4.670 -0.064 1.00 0.99 C ATOM 0 H LEU A 28 1.094 0.448 1.374 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.841 2.151 -0.075 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.188 2.087 -0.090 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.283 2.738 -1.442 1.00 0.36 H new ATOM 0 HG LEU A 28 1.161 3.754 1.412 1.00 0.56 H new ATOM 0 HD11 LEU A 28 2.331 5.731 0.505 1.00 0.85 H new ATOM 0 HD12 LEU A 28 3.301 4.250 0.323 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.442 4.930 -1.080 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.114 5.634 0.444 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.083 4.828 -1.142 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.954 4.081 0.218 1.00 0.99 H new ATOM 471 N ILE A 29 -0.807 0.685 -2.121 1.00 0.35 N ATOM 472 CA ILE A 29 -0.920 -0.277 -3.205 1.00 0.36 C ATOM 473 C ILE A 29 -0.157 0.210 -4.429 1.00 0.36 C ATOM 474 O ILE A 29 -0.485 1.245 -5.014 1.00 0.39 O ATOM 475 CB ILE A 29 -2.391 -0.540 -3.596 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.178 -1.070 -2.398 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.469 -1.517 -4.762 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.661 -1.198 -2.667 1.00 0.80 C ATOM 0 H ILE A 29 -1.441 1.481 -2.194 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.490 -1.212 -2.846 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.837 0.404 -3.909 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.782 -2.045 -2.114 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.026 -0.404 -1.549 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.513 -1.690 -5.023 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.944 -1.100 -5.622 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.005 -2.461 -4.477 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.161 -1.579 -1.777 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -5.070 -0.220 -2.922 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.822 -1.887 -3.496 1.00 0.80 H new ATOM 490 N LEU A 30 0.866 -0.532 -4.807 1.00 0.34 N ATOM 491 CA LEU A 30 1.671 -0.185 -5.964 1.00 0.37 C ATOM 492 C LEU A 30 1.741 -1.361 -6.921 1.00 0.38 C ATOM 493 O LEU A 30 2.297 -2.404 -6.583 1.00 0.38 O ATOM 494 CB LEU A 30 3.080 0.235 -5.538 1.00 0.38 C ATOM 495 CG LEU A 30 3.153 1.530 -4.729 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.559 1.749 -4.202 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.709 2.711 -5.580 1.00 0.48 C ATOM 0 H LEU A 30 1.161 -1.383 -4.328 1.00 0.34 H new ATOM 0 HA LEU A 30 1.201 0.658 -6.471 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.519 -0.569 -4.948 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.695 0.347 -6.431 1.00 0.38 H new ATOM 0 HG LEU A 30 2.478 1.446 -3.877 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.592 2.675 -3.629 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.841 0.914 -3.560 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.255 1.815 -5.038 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.766 3.626 -4.991 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.360 2.798 -6.450 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.682 2.556 -5.910 1.00 0.48 H new ATOM 509 N HIS A 31 1.149 -1.192 -8.103 1.00 0.41 N ATOM 510 CA HIS A 31 1.132 -2.241 -9.123 1.00 0.43 C ATOM 511 C HIS A 31 0.365 -3.461 -8.624 1.00 0.42 C ATOM 512 O HIS A 31 0.753 -4.602 -8.877 1.00 0.45 O ATOM 513 CB HIS A 31 2.553 -2.629 -9.544 1.00 0.47 C ATOM 514 CG HIS A 31 3.085 -1.816 -10.688 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.845 -2.350 -11.705 1.00 1.11 N ATOM 516 CD2 HIS A 31 2.958 -0.499 -10.972 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.163 -1.398 -12.561 1.00 1.22 C ATOM 518 NE2 HIS A 31 3.640 -0.265 -12.140 1.00 1.18 N ATOM 0 H HIS A 31 0.672 -0.334 -8.379 1.00 0.41 H new ATOM 0 HA HIS A 31 0.621 -1.847 -10.001 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.219 -2.517 -8.689 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.565 -3.683 -9.822 1.00 0.47 H new ATOM 0 HD2 HIS A 31 2.420 0.233 -10.388 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.753 -1.526 -13.456 1.00 1.22 H new ATOM 0 HE2 HIS A 31 3.727 0.638 -12.606 1.00 1.18 H new ATOM 527 N HIS A 32 -0.730 -3.190 -7.910 1.00 0.42 N ATOM 528 CA HIS A 32 -1.606 -4.226 -7.353 1.00 0.44 C ATOM 529 C HIS A 32 -0.925 -5.006 -6.229 1.00 0.40 C ATOM 530 O HIS A 32 -1.394 -6.072 -5.826 1.00 0.44 O ATOM 531 CB HIS A 32 -2.098 -5.177 -8.453 1.00 0.52 C ATOM 532 CG HIS A 32 -2.969 -4.514 -9.475 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.664 -4.481 -10.818 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.151 -3.865 -9.344 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.620 -3.839 -11.467 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.536 -3.458 -10.596 1.00 0.97 N ATOM 0 H HIS A 32 -1.037 -2.240 -7.700 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.470 -3.720 -6.922 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.235 -5.617 -8.954 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.651 -5.996 -7.993 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.691 -3.699 -8.423 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.647 -3.657 -12.531 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.390 -2.945 -10.818 1.00 0.97 H new ATOM 545 N LYS A 33 0.172 -4.463 -5.717 1.00 0.37 N ATOM 546 CA LYS A 33 0.910 -5.091 -4.625 1.00 0.37 C ATOM 547 C LYS A 33 0.797 -4.229 -3.371 1.00 0.33 C ATOM 548 O LYS A 33 0.667 -3.008 -3.467 1.00 0.36 O ATOM 549 CB LYS A 33 2.377 -5.285 -5.019 1.00 0.40 C ATOM 550 CG LYS A 33 2.560 -5.933 -6.386 1.00 0.57 C ATOM 551 CD LYS A 33 4.027 -6.025 -6.774 1.00 0.79 C ATOM 552 CE LYS A 33 4.714 -7.197 -6.093 1.00 0.94 C ATOM 553 NZ LYS A 33 4.414 -8.487 -6.771 1.00 1.02 N ATOM 0 H LYS A 33 0.574 -3.583 -6.042 1.00 0.37 H new ATOM 0 HA LYS A 33 0.482 -6.072 -4.418 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.877 -4.316 -5.015 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.869 -5.900 -4.266 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.123 -6.932 -6.377 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.021 -5.356 -7.137 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.112 -6.131 -7.855 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.534 -5.099 -6.504 1.00 0.79 H new ATOM 0 HE2 LYS A 33 5.791 -7.032 -6.087 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.394 -7.251 -5.053 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.845 -9.268 -6.237 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 3.384 -8.625 -6.815 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 4.803 -8.471 -7.736 1.00 1.02 H new ATOM 567 N VAL A 34 0.850 -4.857 -2.201 1.00 0.30 N ATOM 568 CA VAL A 34 0.722 -4.130 -0.944 1.00 0.30 C ATOM 569 C VAL A 34 2.084 -3.871 -0.310 1.00 0.27 C ATOM 570 O VAL A 34 2.857 -4.802 -0.062 1.00 0.28 O ATOM 571 CB VAL A 34 -0.161 -4.893 0.068 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.512 -4.004 1.253 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.426 -5.413 -0.595 1.00 0.35 C ATOM 0 H VAL A 34 0.980 -5.863 -2.097 1.00 0.30 H new ATOM 0 HA VAL A 34 0.248 -3.178 -1.185 1.00 0.30 H new ATOM 0 HB VAL A 34 0.410 -5.748 0.432 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.134 -4.561 1.954 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.403 -3.686 1.753 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.056 -3.127 0.902 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.029 -5.946 0.140 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.998 -4.576 -0.995 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.160 -6.091 -1.406 1.00 0.35 H new ATOM 583 N TYR A 35 2.373 -2.603 -0.050 1.00 0.28 N ATOM 584 CA TYR A 35 3.633 -2.209 0.563 1.00 0.28 C ATOM 585 C TYR A 35 3.387 -1.473 1.876 1.00 0.30 C ATOM 586 O TYR A 35 2.556 -0.563 1.939 1.00 0.32 O ATOM 587 CB TYR A 35 4.431 -1.307 -0.385 1.00 0.31 C ATOM 588 CG TYR A 35 4.922 -2.001 -1.634 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.140 -2.662 -1.642 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.175 -1.992 -2.803 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.603 -3.294 -2.779 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.631 -2.622 -3.945 1.00 0.47 C ATOM 593 CZ TYR A 35 5.845 -3.271 -3.928 1.00 0.41 C ATOM 594 OH TYR A 35 6.305 -3.895 -5.067 1.00 0.48 O ATOM 0 H TYR A 35 1.746 -1.825 -0.256 1.00 0.28 H new ATOM 0 HA TYR A 35 4.206 -3.114 0.765 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.807 -0.461 -0.674 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.288 -0.902 0.153 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.738 -2.683 -0.743 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.222 -1.484 -2.821 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.555 -3.804 -2.767 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.038 -2.605 -4.847 1.00 0.47 H new ATOM 0 HH TYR A 35 6.868 -4.657 -4.818 1.00 0.48 H new ATOM 604 N ASP A 36 4.102 -1.873 2.921 1.00 0.32 N ATOM 605 CA ASP A 36 3.974 -1.239 4.228 1.00 0.36 C ATOM 606 C ASP A 36 5.197 -0.390 4.521 1.00 0.38 C ATOM 607 O ASP A 36 6.309 -0.897 4.653 1.00 0.50 O ATOM 608 CB ASP A 36 3.794 -2.274 5.345 1.00 0.43 C ATOM 609 CG ASP A 36 3.854 -1.654 6.737 1.00 0.57 C ATOM 610 OD1 ASP A 36 3.526 -0.453 6.883 1.00 0.90 O ATOM 611 OD2 ASP A 36 4.223 -2.372 7.698 1.00 1.28 O ATOM 0 H ASP A 36 4.778 -2.636 2.888 1.00 0.32 H new ATOM 0 HA ASP A 36 3.085 -0.609 4.199 1.00 0.36 H new ATOM 0 HB2 ASP A 36 2.836 -2.778 5.217 1.00 0.43 H new ATOM 0 HB3 ASP A 36 4.569 -3.036 5.257 1.00 0.43 H new ATOM 616 N LEU A 37 4.972 0.902 4.621 1.00 0.37 N ATOM 617 CA LEU A 37 6.029 1.852 4.906 1.00 0.43 C ATOM 618 C LEU A 37 5.522 2.838 5.948 1.00 0.37 C ATOM 619 O LEU A 37 5.953 3.993 6.008 1.00 0.40 O ATOM 620 CB LEU A 37 6.462 2.587 3.631 1.00 0.56 C ATOM 621 CG LEU A 37 5.452 3.598 3.078 1.00 0.66 C ATOM 622 CD1 LEU A 37 6.161 4.649 2.241 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.381 2.896 2.257 1.00 0.80 C ATOM 0 H LEU A 37 4.051 1.325 4.507 1.00 0.37 H new ATOM 0 HA LEU A 37 6.902 1.324 5.290 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.398 3.108 3.833 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.669 1.847 2.858 1.00 0.56 H new ATOM 0 HG LEU A 37 4.966 4.093 3.919 1.00 0.66 H new ATOM 0 HD11 LEU A 37 5.431 5.360 1.855 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.889 5.175 2.858 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.673 4.167 1.408 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.675 3.633 1.874 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.847 2.372 1.422 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.853 2.179 2.885 1.00 0.80 H new ATOM 635 N THR A 38 4.616 2.352 6.785 1.00 0.34 N ATOM 636 CA THR A 38 3.996 3.165 7.822 1.00 0.36 C ATOM 637 C THR A 38 5.016 3.780 8.791 1.00 0.38 C ATOM 638 O THR A 38 4.737 4.793 9.430 1.00 0.44 O ATOM 639 CB THR A 38 2.940 2.353 8.604 1.00 0.41 C ATOM 640 OG1 THR A 38 1.990 3.240 9.207 1.00 0.48 O ATOM 641 CG2 THR A 38 3.582 1.477 9.675 1.00 0.48 C ATOM 0 H THR A 38 4.291 1.385 6.765 1.00 0.34 H new ATOM 0 HA THR A 38 3.505 3.991 7.308 1.00 0.36 H new ATOM 0 HB THR A 38 2.433 1.698 7.896 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.439 3.792 9.881 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.807 0.922 10.203 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.274 0.778 9.206 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.124 2.105 10.382 1.00 0.48 H new ATOM 649 N LYS A 39 6.196 3.180 8.896 1.00 0.39 N ATOM 650 CA LYS A 39 7.228 3.705 9.781 1.00 0.47 C ATOM 651 C LYS A 39 8.344 4.358 8.975 1.00 0.47 C ATOM 652 O LYS A 39 9.398 4.701 9.505 1.00 0.59 O ATOM 653 CB LYS A 39 7.783 2.597 10.677 1.00 0.56 C ATOM 654 CG LYS A 39 7.256 2.654 12.107 1.00 0.75 C ATOM 655 CD LYS A 39 7.756 3.894 12.834 1.00 0.92 C ATOM 656 CE LYS A 39 7.010 4.119 14.140 1.00 1.27 C ATOM 657 NZ LYS A 39 7.516 5.312 14.868 1.00 1.50 N ATOM 0 H LYS A 39 6.460 2.338 8.385 1.00 0.39 H new ATOM 0 HA LYS A 39 6.779 4.466 10.419 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.532 1.629 10.243 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.871 2.665 10.695 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.166 2.652 12.095 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.570 1.762 12.648 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.822 3.792 13.037 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.636 4.766 12.191 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.947 4.243 13.934 1.00 1.27 H new ATOM 0 HE3 LYS A 39 7.111 3.237 14.773 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 6.982 5.431 15.753 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 8.524 5.183 15.087 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 7.396 6.158 14.275 1.00 1.50 H new ATOM 671 N PHE A 40 8.098 4.534 7.685 1.00 0.40 N ATOM 672 CA PHE A 40 9.072 5.151 6.797 1.00 0.44 C ATOM 673 C PHE A 40 8.517 6.459 6.239 1.00 0.40 C ATOM 674 O PHE A 40 9.203 7.182 5.524 1.00 0.42 O ATOM 675 CB PHE A 40 9.425 4.194 5.652 1.00 0.52 C ATOM 676 CG PHE A 40 10.663 4.578 4.886 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.920 4.409 5.446 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.567 5.107 3.605 1.00 1.77 C ATOM 679 CE1 PHE A 40 13.058 4.760 4.742 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.700 5.459 2.899 1.00 2.45 C ATOM 681 CZ PHE A 40 12.946 5.286 3.468 1.00 2.68 C ATOM 0 H PHE A 40 7.229 4.257 7.229 1.00 0.40 H new ATOM 0 HA PHE A 40 9.978 5.367 7.364 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.560 3.192 6.059 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.584 4.147 4.961 1.00 0.52 H new ATOM 0 HD1 PHE A 40 12.012 3.999 6.441 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.594 5.245 3.156 1.00 1.77 H new ATOM 0 HE1 PHE A 40 14.033 4.623 5.187 1.00 2.39 H new ATOM 0 HE2 PHE A 40 11.612 5.869 1.904 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.834 5.562 2.918 1.00 2.68 H new ATOM 691 N LEU A 41 7.269 6.764 6.592 1.00 0.39 N ATOM 692 CA LEU A 41 6.604 7.983 6.129 1.00 0.43 C ATOM 693 C LEU A 41 7.411 9.226 6.495 1.00 0.44 C ATOM 694 O LEU A 41 7.536 10.159 5.708 1.00 0.47 O ATOM 695 CB LEU A 41 5.204 8.091 6.744 1.00 0.49 C ATOM 696 CG LEU A 41 4.316 6.853 6.594 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.060 7.000 7.435 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.953 6.620 5.135 1.00 0.59 C ATOM 0 H LEU A 41 6.695 6.181 7.200 1.00 0.39 H new ATOM 0 HA LEU A 41 6.525 7.924 5.043 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.310 8.313 7.806 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.692 8.940 6.290 1.00 0.49 H new ATOM 0 HG LEU A 41 4.875 5.987 6.948 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.438 6.112 7.318 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.335 7.115 8.483 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.504 7.878 7.108 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.322 5.735 5.054 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.414 7.486 4.751 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.863 6.471 4.553 1.00 0.59 H new ATOM 710 N GLU A 42 7.978 9.215 7.689 1.00 0.49 N ATOM 711 CA GLU A 42 8.763 10.339 8.180 1.00 0.56 C ATOM 712 C GLU A 42 10.185 10.338 7.616 1.00 0.54 C ATOM 713 O GLU A 42 10.969 11.249 7.884 1.00 0.66 O ATOM 714 CB GLU A 42 8.816 10.293 9.700 1.00 0.67 C ATOM 715 CG GLU A 42 9.200 8.928 10.243 1.00 0.72 C ATOM 716 CD GLU A 42 9.665 8.992 11.675 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.810 9.435 11.909 1.00 1.50 O ATOM 718 OE2 GLU A 42 8.887 8.603 12.573 1.00 1.40 O ATOM 0 H GLU A 42 7.910 8.435 8.342 1.00 0.49 H new ATOM 0 HA GLU A 42 8.277 11.256 7.845 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.533 11.033 10.055 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.842 10.575 10.100 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.344 8.257 10.171 1.00 0.72 H new ATOM 0 HG3 GLU A 42 9.991 8.503 9.625 1.00 0.72 H new ATOM 725 N GLU A 43 10.520 9.310 6.853 1.00 0.48 N ATOM 726 CA GLU A 43 11.851 9.194 6.266 1.00 0.50 C ATOM 727 C GLU A 43 11.769 9.266 4.748 1.00 0.43 C ATOM 728 O GLU A 43 12.780 9.205 4.052 1.00 0.54 O ATOM 729 CB GLU A 43 12.509 7.878 6.691 1.00 0.58 C ATOM 730 CG GLU A 43 12.299 7.541 8.157 1.00 0.76 C ATOM 731 CD GLU A 43 13.539 6.965 8.804 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.976 5.869 8.400 1.00 1.56 O ATOM 733 OE2 GLU A 43 14.089 7.615 9.721 1.00 1.46 O ATOM 0 H GLU A 43 9.890 8.541 6.624 1.00 0.48 H new ATOM 0 HA GLU A 43 12.459 10.024 6.626 1.00 0.50 H new ATOM 0 HB2 GLU A 43 12.111 7.068 6.080 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.579 7.934 6.489 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.998 8.441 8.694 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.481 6.827 8.248 1.00 0.76 H new ATOM 740 N HIS A 44 10.554 9.417 4.249 1.00 0.43 N ATOM 741 CA HIS A 44 10.312 9.489 2.820 1.00 0.39 C ATOM 742 C HIS A 44 10.528 10.909 2.308 1.00 0.43 C ATOM 743 O HIS A 44 9.889 11.852 2.781 1.00 0.51 O ATOM 744 CB HIS A 44 8.887 9.021 2.515 1.00 0.41 C ATOM 745 CG HIS A 44 8.581 8.925 1.054 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.809 9.841 0.375 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.957 7.997 0.136 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.738 9.453 -0.901 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.418 8.339 -1.099 1.00 0.41 N ATOM 0 H HIS A 44 9.712 9.493 4.820 1.00 0.43 H new ATOM 0 HA HIS A 44 11.019 8.835 2.309 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.729 8.045 2.974 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.181 9.710 2.980 1.00 0.41 H new ATOM 0 HD2 HIS A 44 9.575 7.133 0.334 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.195 9.982 -1.670 1.00 0.40 H new ATOM 0 HE2 HIS A 44 8.526 7.833 -1.978 1.00 0.41 H new ATOM 757 N PRO A 45 11.443 11.079 1.340 1.00 0.44 N ATOM 758 CA PRO A 45 11.744 12.388 0.757 1.00 0.53 C ATOM 759 C PRO A 45 10.569 12.928 -0.052 1.00 0.62 C ATOM 760 O PRO A 45 10.189 12.362 -1.076 1.00 1.11 O ATOM 761 CB PRO A 45 12.949 12.114 -0.151 1.00 0.58 C ATOM 762 CG PRO A 45 12.876 10.660 -0.462 1.00 0.56 C ATOM 763 CD PRO A 45 12.247 10.003 0.734 1.00 0.44 C ATOM 0 HA PRO A 45 11.944 13.143 1.518 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.903 12.714 -1.060 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.885 12.364 0.349 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.283 10.484 -1.359 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.869 10.253 -0.652 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.627 9.154 0.445 1.00 0.44 H new ATOM 0 HD3 PRO A 45 13.000 9.627 1.427 1.00 0.44 H new ATOM 771 N GLY A 46 9.992 14.020 0.421 1.00 0.75 N ATOM 772 CA GLY A 46 8.864 14.615 -0.254 1.00 0.82 C ATOM 773 C GLY A 46 7.734 14.890 0.707 1.00 0.83 C ATOM 774 O GLY A 46 6.891 15.748 0.460 1.00 1.38 O ATOM 0 H GLY A 46 10.289 14.507 1.267 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.172 15.545 -0.732 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.518 13.949 -1.045 1.00 0.82 H new ATOM 778 N GLY A 47 7.723 14.163 1.814 1.00 0.66 N ATOM 779 CA GLY A 47 6.690 14.353 2.805 1.00 0.67 C ATOM 780 C GLY A 47 5.860 13.106 3.020 1.00 0.60 C ATOM 781 O GLY A 47 6.024 12.112 2.308 1.00 0.64 O ATOM 0 H GLY A 47 8.411 13.446 2.042 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.146 14.650 3.749 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.039 15.170 2.495 1.00 0.67 H new ATOM 785 N GLU A 48 4.965 13.157 3.999 1.00 0.61 N ATOM 786 CA GLU A 48 4.111 12.020 4.307 1.00 0.63 C ATOM 787 C GLU A 48 2.658 12.300 3.939 1.00 0.63 C ATOM 788 O GLU A 48 1.849 11.373 3.843 1.00 0.65 O ATOM 789 CB GLU A 48 4.219 11.654 5.792 1.00 0.76 C ATOM 790 CG GLU A 48 3.452 12.577 6.727 1.00 0.95 C ATOM 791 CD GLU A 48 4.088 13.945 6.867 1.00 1.21 C ATOM 792 OE1 GLU A 48 5.023 14.088 7.677 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.649 14.885 6.170 1.00 1.86 O ATOM 0 H GLU A 48 4.813 13.973 4.592 1.00 0.61 H new ATOM 0 HA GLU A 48 4.454 11.176 3.708 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.856 10.635 5.929 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.271 11.659 6.079 1.00 0.76 H new ATOM 0 HG2 GLU A 48 2.433 12.693 6.358 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.384 12.112 7.711 1.00 0.95 H new ATOM 800 N GLU A 49 2.335 13.572 3.713 1.00 0.66 N ATOM 801 CA GLU A 49 0.972 13.970 3.363 1.00 0.74 C ATOM 802 C GLU A 49 0.548 13.297 2.068 1.00 0.68 C ATOM 803 O GLU A 49 -0.542 12.730 1.972 1.00 0.72 O ATOM 804 CB GLU A 49 0.869 15.492 3.222 1.00 0.86 C ATOM 805 CG GLU A 49 -0.552 16.019 3.324 1.00 1.10 C ATOM 806 CD GLU A 49 -1.039 16.080 4.754 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.100 15.021 5.408 1.00 1.69 O ATOM 808 OE2 GLU A 49 -1.357 17.188 5.232 1.00 1.81 O ATOM 0 H GLU A 49 2.998 14.345 3.766 1.00 0.66 H new ATOM 0 HA GLU A 49 0.305 13.653 4.165 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.478 15.962 3.995 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.289 15.788 2.261 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.601 17.015 2.883 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.217 15.380 2.743 1.00 1.10 H new ATOM 815 N VAL A 50 1.440 13.329 1.089 1.00 0.63 N ATOM 816 CA VAL A 50 1.180 12.723 -0.211 1.00 0.60 C ATOM 817 C VAL A 50 1.060 11.201 -0.103 1.00 0.54 C ATOM 818 O VAL A 50 0.566 10.541 -1.013 1.00 0.54 O ATOM 819 CB VAL A 50 2.285 13.083 -1.229 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.274 14.577 -1.522 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.656 12.646 -0.725 1.00 0.62 C ATOM 0 H VAL A 50 2.356 13.771 1.170 1.00 0.63 H new ATOM 0 HA VAL A 50 0.231 13.126 -0.564 1.00 0.60 H new ATOM 0 HB VAL A 50 2.080 12.546 -2.155 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.059 14.813 -2.241 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.306 14.859 -1.936 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.449 15.130 -0.599 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.416 12.911 -1.460 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.874 13.147 0.218 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.660 11.567 -0.572 1.00 0.62 H new ATOM 831 N LEU A 51 1.497 10.656 1.024 1.00 0.52 N ATOM 832 CA LEU A 51 1.443 9.221 1.252 1.00 0.50 C ATOM 833 C LEU A 51 0.167 8.831 1.989 1.00 0.53 C ATOM 834 O LEU A 51 -0.513 7.880 1.607 1.00 0.55 O ATOM 835 CB LEU A 51 2.667 8.762 2.050 1.00 0.48 C ATOM 836 CG LEU A 51 4.023 9.107 1.428 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.152 8.633 2.330 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.152 8.487 0.042 1.00 0.47 C ATOM 0 H LEU A 51 1.894 11.190 1.797 1.00 0.52 H new ATOM 0 HA LEU A 51 1.444 8.727 0.281 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.619 9.206 3.044 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.610 7.681 2.180 1.00 0.48 H new ATOM 0 HG LEU A 51 4.090 10.190 1.325 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.110 8.885 1.876 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.071 9.121 3.301 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.085 7.553 2.460 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.122 8.744 -0.383 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.065 7.403 0.119 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.361 8.870 -0.603 1.00 0.47 H new ATOM 850 N ARG A 52 -0.173 9.577 3.037 1.00 0.59 N ATOM 851 CA ARG A 52 -1.365 9.275 3.827 1.00 0.66 C ATOM 852 C ARG A 52 -2.648 9.486 3.027 1.00 0.65 C ATOM 853 O ARG A 52 -3.680 8.893 3.340 1.00 0.69 O ATOM 854 CB ARG A 52 -1.398 10.089 5.131 1.00 0.79 C ATOM 855 CG ARG A 52 -1.138 11.581 4.967 1.00 0.97 C ATOM 856 CD ARG A 52 -2.395 12.348 4.572 1.00 1.22 C ATOM 857 NE ARG A 52 -3.499 12.125 5.507 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.967 13.044 6.350 1.00 1.90 C ATOM 859 NH1 ARG A 52 -3.372 14.229 6.459 1.00 2.00 N ATOM 860 NH2 ARG A 52 -5.021 12.765 7.106 1.00 2.61 N ATOM 0 H ARG A 52 0.355 10.389 3.358 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.309 8.218 4.089 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.373 9.955 5.600 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.655 9.679 5.816 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.748 11.984 5.901 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.370 11.732 4.209 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.169 13.413 4.528 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.703 12.046 3.571 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.939 11.205 5.513 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.550 14.441 5.894 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -3.738 14.926 7.108 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -5.468 11.851 7.040 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -5.384 13.465 7.753 1.00 2.61 H new ATOM 874 N GLU A 53 -2.588 10.322 1.995 1.00 0.64 N ATOM 875 CA GLU A 53 -3.760 10.576 1.168 1.00 0.68 C ATOM 876 C GLU A 53 -3.988 9.422 0.194 1.00 0.65 C ATOM 877 O GLU A 53 -5.100 9.207 -0.281 1.00 0.78 O ATOM 878 CB GLU A 53 -3.613 11.894 0.406 1.00 0.72 C ATOM 879 CG GLU A 53 -2.511 11.888 -0.639 1.00 0.67 C ATOM 880 CD GLU A 53 -2.959 12.493 -1.953 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.560 11.766 -2.773 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.726 13.700 -2.169 1.00 1.26 O ATOM 0 H GLU A 53 -1.749 10.830 1.714 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.627 10.655 1.824 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.560 12.127 -0.082 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.417 12.694 1.120 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.652 12.443 -0.261 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.180 10.863 -0.808 1.00 0.67 H new ATOM 889 N GLN A 54 -2.927 8.684 -0.096 1.00 0.57 N ATOM 890 CA GLN A 54 -3.007 7.549 -1.006 1.00 0.58 C ATOM 891 C GLN A 54 -3.153 6.256 -0.210 1.00 0.57 C ATOM 892 O GLN A 54 -3.336 5.177 -0.772 1.00 0.60 O ATOM 893 CB GLN A 54 -1.755 7.482 -1.885 1.00 0.57 C ATOM 894 CG GLN A 54 -1.580 8.666 -2.827 1.00 0.64 C ATOM 895 CD GLN A 54 -2.445 8.564 -4.067 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.060 7.942 -5.056 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.604 9.198 -4.037 1.00 0.96 N ATOM 0 H GLN A 54 -1.996 8.851 0.287 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.879 7.675 -1.648 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.878 7.413 -1.241 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.790 6.566 -2.475 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.823 9.586 -2.295 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.534 8.736 -3.124 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.888 9.703 -3.197 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.215 9.182 -4.854 1.00 0.96 H new ATOM 906 N ALA A 55 -3.055 6.383 1.109 1.00 0.58 N ATOM 907 CA ALA A 55 -3.167 5.245 2.013 1.00 0.60 C ATOM 908 C ALA A 55 -4.527 4.579 1.893 1.00 0.61 C ATOM 909 O ALA A 55 -5.563 5.249 1.932 1.00 0.68 O ATOM 910 CB ALA A 55 -2.927 5.687 3.445 1.00 0.65 C ATOM 0 H ALA A 55 -2.896 7.274 1.580 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.407 4.516 1.732 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.013 4.828 4.110 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.928 6.114 3.531 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.667 6.437 3.723 1.00 0.65 H new ATOM 916 N GLY A 56 -4.523 3.263 1.756 1.00 0.59 N ATOM 917 CA GLY A 56 -5.766 2.530 1.620 1.00 0.64 C ATOM 918 C GLY A 56 -6.238 2.506 0.182 1.00 0.62 C ATOM 919 O GLY A 56 -7.358 2.095 -0.110 1.00 0.66 O ATOM 0 H GLY A 56 -3.681 2.687 1.736 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.629 1.509 1.977 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.531 2.987 2.248 1.00 0.64 H new ATOM 923 N GLY A 57 -5.376 2.975 -0.708 1.00 0.63 N ATOM 924 CA GLY A 57 -5.683 3.002 -2.119 1.00 0.65 C ATOM 925 C GLY A 57 -4.451 2.702 -2.938 1.00 0.59 C ATOM 926 O GLY A 57 -3.421 2.299 -2.388 1.00 0.55 O ATOM 0 H GLY A 57 -4.455 3.343 -0.470 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.461 2.271 -2.341 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -6.078 3.981 -2.392 1.00 0.65 H new ATOM 930 N ASP A 58 -4.531 2.900 -4.240 1.00 0.65 N ATOM 931 CA ASP A 58 -3.394 2.635 -5.101 1.00 0.62 C ATOM 932 C ASP A 58 -2.785 3.935 -5.593 1.00 0.61 C ATOM 933 O ASP A 58 -3.492 4.903 -5.872 1.00 0.71 O ATOM 934 CB ASP A 58 -3.788 1.740 -6.281 1.00 0.69 C ATOM 935 CG ASP A 58 -4.578 2.472 -7.348 1.00 0.99 C ATOM 936 OD1 ASP A 58 -5.798 2.674 -7.162 1.00 1.51 O ATOM 937 OD2 ASP A 58 -3.981 2.836 -8.383 1.00 1.32 O ATOM 0 H ASP A 58 -5.363 3.240 -4.722 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.645 2.102 -4.515 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -2.886 1.322 -6.728 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.379 0.902 -5.912 1.00 0.69 H new ATOM 942 N ALA A 59 -1.464 3.951 -5.672 1.00 0.55 N ATOM 943 CA ALA A 59 -0.731 5.121 -6.128 1.00 0.57 C ATOM 944 C ALA A 59 -0.050 4.829 -7.457 1.00 0.54 C ATOM 945 O ALA A 59 1.026 5.354 -7.752 1.00 0.54 O ATOM 946 CB ALA A 59 0.294 5.541 -5.084 1.00 0.60 C ATOM 0 H ALA A 59 -0.873 3.158 -5.423 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.434 5.942 -6.272 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.836 6.418 -5.438 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.215 5.781 -4.151 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.996 4.725 -4.915 1.00 0.60 H new ATOM 952 N THR A 60 -0.692 3.985 -8.254 1.00 0.56 N ATOM 953 CA THR A 60 -0.172 3.595 -9.558 1.00 0.57 C ATOM 954 C THR A 60 0.058 4.817 -10.445 1.00 0.57 C ATOM 955 O THR A 60 1.110 4.956 -11.065 1.00 0.58 O ATOM 956 CB THR A 60 -1.147 2.631 -10.256 1.00 0.64 C ATOM 957 OG1 THR A 60 -1.787 1.801 -9.275 1.00 0.67 O ATOM 958 CG2 THR A 60 -0.421 1.759 -11.271 1.00 0.71 C ATOM 0 H THR A 60 -1.585 3.553 -8.016 1.00 0.56 H new ATOM 0 HA THR A 60 0.783 3.094 -9.400 1.00 0.57 H new ATOM 0 HB THR A 60 -1.895 3.221 -10.785 1.00 0.64 H new ATOM 0 HG1 THR A 60 -2.747 1.996 -9.257 1.00 0.67 H new ATOM 0 HG21 THR A 60 -1.134 1.087 -11.749 1.00 0.71 H new ATOM 0 HG22 THR A 60 0.045 2.391 -12.027 1.00 0.71 H new ATOM 0 HG23 THR A 60 0.346 1.173 -10.765 1.00 0.71 H new ATOM 966 N GLU A 61 -0.919 5.717 -10.450 1.00 0.62 N ATOM 967 CA GLU A 61 -0.856 6.932 -11.257 1.00 0.67 C ATOM 968 C GLU A 61 0.128 7.951 -10.681 1.00 0.63 C ATOM 969 O GLU A 61 0.350 9.002 -11.273 1.00 0.74 O ATOM 970 CB GLU A 61 -2.250 7.560 -11.358 1.00 0.78 C ATOM 971 CG GLU A 61 -2.969 7.665 -10.018 1.00 0.83 C ATOM 972 CD GLU A 61 -4.415 8.084 -10.160 1.00 1.06 C ATOM 973 OE1 GLU A 61 -5.174 7.378 -10.862 1.00 1.48 O ATOM 974 OE2 GLU A 61 -4.799 9.115 -9.570 1.00 1.64 O ATOM 0 H GLU A 61 -1.772 5.627 -9.899 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.501 6.652 -12.249 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.160 8.556 -11.792 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.858 6.968 -12.042 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.923 6.702 -9.510 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.447 8.384 -9.386 1.00 0.83 H new ATOM 981 N ASN A 62 0.712 7.642 -9.532 1.00 0.56 N ATOM 982 CA ASN A 62 1.657 8.553 -8.895 1.00 0.55 C ATOM 983 C ASN A 62 3.084 8.003 -8.969 1.00 0.50 C ATOM 984 O ASN A 62 4.031 8.735 -9.255 1.00 0.50 O ATOM 985 CB ASN A 62 1.245 8.790 -7.437 1.00 0.58 C ATOM 986 CG ASN A 62 1.780 10.096 -6.871 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.873 10.535 -7.217 1.00 1.28 O ATOM 988 ND2 ASN A 62 1.002 10.733 -6.007 1.00 1.32 N ATOM 0 H ASN A 62 0.551 6.773 -9.023 1.00 0.56 H new ATOM 0 HA ASN A 62 1.639 9.503 -9.429 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.157 8.790 -7.368 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.603 7.962 -6.825 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.305 11.620 -5.605 1.00 1.32 H new ATOM 0 HD22 ASN A 62 0.100 10.336 -5.744 1.00 1.32 H new ATOM 995 N PHE A 63 3.223 6.702 -8.744 1.00 0.48 N ATOM 996 CA PHE A 63 4.528 6.040 -8.765 1.00 0.46 C ATOM 997 C PHE A 63 5.264 6.259 -10.089 1.00 0.49 C ATOM 998 O PHE A 63 6.417 6.700 -10.100 1.00 0.50 O ATOM 999 CB PHE A 63 4.357 4.540 -8.499 1.00 0.48 C ATOM 1000 CG PHE A 63 5.608 3.725 -8.701 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.670 3.822 -7.814 1.00 0.63 C ATOM 1002 CD2 PHE A 63 5.721 2.864 -9.783 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.818 3.074 -8.001 1.00 0.76 C ATOM 1004 CE2 PHE A 63 6.866 2.116 -9.975 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.917 2.219 -9.084 1.00 0.73 C ATOM 0 H PHE A 63 2.442 6.077 -8.543 1.00 0.48 H new ATOM 0 HA PHE A 63 5.136 6.486 -7.977 1.00 0.46 H new ATOM 0 HB2 PHE A 63 4.010 4.402 -7.475 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.577 4.154 -9.155 1.00 0.48 H new ATOM 0 HD1 PHE A 63 6.600 4.489 -6.968 1.00 0.63 H new ATOM 0 HD2 PHE A 63 4.904 2.778 -10.484 1.00 0.70 H new ATOM 0 HE1 PHE A 63 8.637 3.157 -7.302 1.00 0.76 H new ATOM 0 HE2 PHE A 63 6.940 1.450 -10.822 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.813 1.634 -9.233 1.00 0.73 H new ATOM 1015 N GLU A 64 4.594 5.968 -11.199 1.00 0.53 N ATOM 1016 CA GLU A 64 5.203 6.121 -12.521 1.00 0.58 C ATOM 1017 C GLU A 64 5.047 7.551 -13.033 1.00 0.57 C ATOM 1018 O GLU A 64 5.492 7.880 -14.135 1.00 0.65 O ATOM 1019 CB GLU A 64 4.594 5.130 -13.523 1.00 0.69 C ATOM 1020 CG GLU A 64 3.517 4.229 -12.935 1.00 1.08 C ATOM 1021 CD GLU A 64 3.138 3.089 -13.861 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.590 3.364 -14.950 1.00 1.89 O ATOM 1023 OE2 GLU A 64 3.380 1.917 -13.503 1.00 1.88 O ATOM 0 H GLU A 64 3.633 5.626 -11.213 1.00 0.53 H new ATOM 0 HA GLU A 64 6.267 5.904 -12.423 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.169 5.689 -14.357 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.390 4.507 -13.930 1.00 0.69 H new ATOM 0 HG2 GLU A 64 3.868 3.821 -11.987 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.630 4.824 -12.716 1.00 1.08 H new ATOM 1030 N ASP A 65 4.419 8.396 -12.228 1.00 0.54 N ATOM 1031 CA ASP A 65 4.215 9.791 -12.598 1.00 0.55 C ATOM 1032 C ASP A 65 5.453 10.606 -12.269 1.00 0.53 C ATOM 1033 O ASP A 65 5.994 11.304 -13.124 1.00 0.58 O ATOM 1034 CB ASP A 65 3.002 10.374 -11.869 1.00 0.57 C ATOM 1035 CG ASP A 65 2.887 11.879 -12.038 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.417 12.332 -13.105 1.00 0.88 O ATOM 1037 OD2 ASP A 65 3.268 12.617 -11.107 1.00 0.79 O ATOM 0 H ASP A 65 4.042 8.141 -11.315 1.00 0.54 H new ATOM 0 HA ASP A 65 4.030 9.836 -13.671 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.095 9.900 -12.244 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.071 10.135 -10.808 1.00 0.57 H new ATOM 1042 N VAL A 66 5.903 10.499 -11.027 1.00 0.50 N ATOM 1043 CA VAL A 66 7.081 11.227 -10.578 1.00 0.52 C ATOM 1044 C VAL A 66 8.358 10.550 -11.062 1.00 0.50 C ATOM 1045 O VAL A 66 9.278 11.210 -11.540 1.00 0.55 O ATOM 1046 CB VAL A 66 7.123 11.341 -9.040 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.216 12.307 -8.606 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.772 11.778 -8.496 1.00 0.60 C ATOM 0 H VAL A 66 5.470 9.915 -10.312 1.00 0.50 H new ATOM 0 HA VAL A 66 7.017 12.228 -11.005 1.00 0.52 H new ATOM 0 HB VAL A 66 7.352 10.358 -8.630 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.231 12.375 -7.518 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.182 11.947 -8.960 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.019 13.292 -9.028 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.824 11.852 -7.410 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.509 12.750 -8.914 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.014 11.046 -8.774 1.00 0.60 H new ATOM 1058 N GLY A 67 8.401 9.231 -10.951 1.00 0.50 N ATOM 1059 CA GLY A 67 9.574 8.498 -11.372 1.00 0.54 C ATOM 1060 C GLY A 67 10.504 8.215 -10.212 1.00 0.54 C ATOM 1061 O GLY A 67 10.887 9.130 -9.481 1.00 0.82 O ATOM 0 H GLY A 67 7.645 8.657 -10.577 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.270 7.558 -11.832 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.106 9.068 -12.134 1.00 0.54 H new ATOM 1065 N HIS A 68 10.855 6.954 -10.032 1.00 0.45 N ATOM 1066 CA HIS A 68 11.735 6.551 -8.945 1.00 0.42 C ATOM 1067 C HIS A 68 13.068 6.048 -9.481 1.00 0.47 C ATOM 1068 O HIS A 68 13.136 5.500 -10.584 1.00 0.58 O ATOM 1069 CB HIS A 68 11.069 5.462 -8.105 1.00 0.39 C ATOM 1070 CG HIS A 68 10.089 5.991 -7.108 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.932 6.658 -7.448 1.00 0.35 N ATOM 1072 CD2 HIS A 68 10.119 5.955 -5.752 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.310 7.001 -6.315 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.987 6.599 -5.260 1.00 0.40 N ATOM 0 H HIS A 68 10.543 6.187 -10.627 1.00 0.45 H new ATOM 0 HA HIS A 68 11.923 7.424 -8.319 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.559 4.764 -8.769 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.840 4.897 -7.580 1.00 0.39 H new ATOM 0 HD2 HIS A 68 10.894 5.501 -5.152 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.374 7.538 -6.271 1.00 0.35 H new ATOM 0 HE2 HIS A 68 8.734 6.732 -4.281 1.00 0.40 H new ATOM 1082 N SER A 69 14.122 6.242 -8.697 1.00 0.45 N ATOM 1083 CA SER A 69 15.459 5.811 -9.080 1.00 0.50 C ATOM 1084 C SER A 69 15.546 4.290 -9.178 1.00 0.50 C ATOM 1085 O SER A 69 14.699 3.567 -8.638 1.00 0.46 O ATOM 1086 CB SER A 69 16.483 6.330 -8.068 1.00 0.55 C ATOM 1087 OG SER A 69 16.081 6.043 -6.738 1.00 1.01 O ATOM 0 H SER A 69 14.074 6.698 -7.786 1.00 0.45 H new ATOM 0 HA SER A 69 15.679 6.224 -10.064 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.454 5.875 -8.263 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.605 7.406 -8.190 1.00 0.55 H new ATOM 0 HG SER A 69 16.754 6.384 -6.112 1.00 1.01 H new ATOM 1093 N THR A 70 16.585 3.813 -9.855 1.00 0.59 N ATOM 1094 CA THR A 70 16.801 2.386 -10.041 1.00 0.64 C ATOM 1095 C THR A 70 17.030 1.670 -8.710 1.00 0.61 C ATOM 1096 O THR A 70 16.856 0.457 -8.611 1.00 0.66 O ATOM 1097 CB THR A 70 17.995 2.140 -10.979 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.142 3.264 -11.855 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.788 0.871 -11.796 1.00 1.08 C ATOM 0 H THR A 70 17.296 4.402 -10.287 1.00 0.59 H new ATOM 0 HA THR A 70 15.897 1.977 -10.493 1.00 0.64 H new ATOM 0 HB THR A 70 18.897 2.016 -10.380 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.775 3.902 -11.465 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.645 0.717 -12.452 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.687 0.018 -11.125 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.884 0.968 -12.397 1.00 1.08 H new ATOM 1107 N ASP A 71 17.415 2.423 -7.688 1.00 0.60 N ATOM 1108 CA ASP A 71 17.645 1.849 -6.368 1.00 0.61 C ATOM 1109 C ASP A 71 16.363 1.856 -5.540 1.00 0.54 C ATOM 1110 O ASP A 71 16.073 0.901 -4.818 1.00 0.56 O ATOM 1111 CB ASP A 71 18.741 2.618 -5.628 1.00 0.70 C ATOM 1112 CG ASP A 71 19.006 2.056 -4.246 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.628 0.974 -4.144 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.600 2.692 -3.252 1.00 1.29 O ATOM 0 H ASP A 71 17.574 3.429 -7.747 1.00 0.60 H new ATOM 0 HA ASP A 71 17.967 0.817 -6.506 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.661 2.588 -6.212 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.452 3.666 -5.542 1.00 0.70 H new ATOM 1119 N ALA A 72 15.586 2.929 -5.667 1.00 0.48 N ATOM 1120 CA ALA A 72 14.335 3.075 -4.929 1.00 0.44 C ATOM 1121 C ALA A 72 13.360 1.941 -5.236 1.00 0.42 C ATOM 1122 O ALA A 72 12.724 1.394 -4.333 1.00 0.43 O ATOM 1123 CB ALA A 72 13.698 4.415 -5.252 1.00 0.47 C ATOM 0 H ALA A 72 15.804 3.715 -6.279 1.00 0.48 H new ATOM 0 HA ALA A 72 14.568 3.029 -3.865 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.765 4.517 -4.698 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.378 5.219 -4.969 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.493 4.472 -6.321 1.00 0.47 H new ATOM 1129 N ARG A 73 13.260 1.578 -6.510 1.00 0.44 N ATOM 1130 CA ARG A 73 12.357 0.508 -6.932 1.00 0.48 C ATOM 1131 C ARG A 73 12.761 -0.838 -6.328 1.00 0.49 C ATOM 1132 O ARG A 73 11.920 -1.711 -6.116 1.00 0.56 O ATOM 1133 CB ARG A 73 12.304 0.418 -8.459 1.00 0.54 C ATOM 1134 CG ARG A 73 13.667 0.501 -9.126 1.00 0.68 C ATOM 1135 CD ARG A 73 13.971 -0.746 -9.936 1.00 0.74 C ATOM 1136 NE ARG A 73 13.024 -0.934 -11.034 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.405 -2.084 -11.301 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.631 -3.162 -10.559 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.559 -2.157 -12.319 1.00 1.36 N ATOM 0 H ARG A 73 13.791 2.006 -7.268 1.00 0.44 H new ATOM 0 HA ARG A 73 11.361 0.751 -6.562 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.828 -0.521 -8.742 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.674 1.222 -8.839 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.702 1.375 -9.776 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.436 0.638 -8.366 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.982 -0.679 -10.338 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.945 -1.618 -9.282 1.00 0.74 H new ATOM 0 HE ARG A 73 12.824 -0.134 -11.634 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.283 -3.115 -9.776 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.152 -4.037 -10.772 1.00 1.08 H new ATOM 0 HH21 ARG A 73 11.383 -1.334 -12.896 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.084 -3.036 -12.525 1.00 1.36 H new ATOM 1153 N GLU A 74 14.045 -1.000 -6.040 1.00 0.47 N ATOM 1154 CA GLU A 74 14.536 -2.236 -5.452 1.00 0.51 C ATOM 1155 C GLU A 74 14.409 -2.165 -3.936 1.00 0.49 C ATOM 1156 O GLU A 74 14.280 -3.182 -3.260 1.00 0.55 O ATOM 1157 CB GLU A 74 15.988 -2.488 -5.857 1.00 0.57 C ATOM 1158 CG GLU A 74 16.183 -2.638 -7.358 1.00 0.65 C ATOM 1159 CD GLU A 74 15.325 -3.738 -7.952 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.763 -4.908 -7.957 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.205 -3.439 -8.417 1.00 0.84 O ATOM 0 H GLU A 74 14.762 -0.293 -6.204 1.00 0.47 H new ATOM 0 HA GLU A 74 13.935 -3.067 -5.822 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.605 -1.664 -5.499 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.344 -3.391 -5.361 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.946 -1.693 -7.847 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.232 -2.849 -7.565 1.00 0.65 H new ATOM 1168 N LEU A 75 14.429 -0.943 -3.411 1.00 0.47 N ATOM 1169 CA LEU A 75 14.301 -0.716 -1.978 1.00 0.48 C ATOM 1170 C LEU A 75 12.893 -1.080 -1.512 1.00 0.43 C ATOM 1171 O LEU A 75 12.663 -1.369 -0.339 1.00 0.44 O ATOM 1172 CB LEU A 75 14.613 0.748 -1.643 1.00 0.53 C ATOM 1173 CG LEU A 75 14.452 1.133 -0.172 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.452 0.382 0.693 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.617 2.634 0.006 1.00 0.61 C ATOM 0 H LEU A 75 14.533 -0.091 -3.962 1.00 0.47 H new ATOM 0 HA LEU A 75 15.016 -1.351 -1.456 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.638 0.962 -1.947 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.963 1.386 -2.241 1.00 0.53 H new ATOM 0 HG LEU A 75 13.447 0.855 0.146 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.320 0.671 1.736 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.289 -0.691 0.590 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.465 0.627 0.374 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.499 2.891 1.059 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.609 2.934 -0.332 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.861 3.155 -0.581 1.00 0.61 H new ATOM 1187 N SER A 76 11.958 -1.098 -2.454 1.00 0.45 N ATOM 1188 CA SER A 76 10.569 -1.430 -2.157 1.00 0.46 C ATOM 1189 C SER A 76 10.426 -2.906 -1.770 1.00 0.43 C ATOM 1190 O SER A 76 9.406 -3.318 -1.214 1.00 0.45 O ATOM 1191 CB SER A 76 9.693 -1.120 -3.372 1.00 0.55 C ATOM 1192 OG SER A 76 9.978 0.170 -3.895 1.00 0.82 O ATOM 0 H SER A 76 12.137 -0.885 -3.435 1.00 0.45 H new ATOM 0 HA SER A 76 10.244 -0.825 -1.311 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.857 -1.872 -4.143 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.642 -1.177 -3.090 1.00 0.55 H new ATOM 0 HG SER A 76 9.406 0.342 -4.672 1.00 0.82 H new ATOM 1198 N LYS A 77 11.469 -3.688 -2.034 1.00 0.45 N ATOM 1199 CA LYS A 77 11.465 -5.116 -1.732 1.00 0.51 C ATOM 1200 C LYS A 77 11.518 -5.376 -0.225 1.00 0.47 C ATOM 1201 O LYS A 77 11.386 -6.517 0.219 1.00 0.56 O ATOM 1202 CB LYS A 77 12.640 -5.808 -2.423 1.00 0.63 C ATOM 1203 CG LYS A 77 12.218 -6.942 -3.339 1.00 0.94 C ATOM 1204 CD LYS A 77 13.420 -7.600 -3.988 1.00 1.20 C ATOM 1205 CE LYS A 77 13.000 -8.670 -4.983 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.171 -9.372 -5.568 1.00 1.89 N ATOM 0 H LYS A 77 12.334 -3.354 -2.460 1.00 0.45 H new ATOM 0 HA LYS A 77 10.530 -5.529 -2.110 1.00 0.51 H new ATOM 0 HB2 LYS A 77 13.196 -5.071 -3.002 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.320 -6.197 -1.665 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.658 -7.684 -2.769 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.549 -6.560 -4.110 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.020 -6.845 -4.496 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.052 -8.045 -3.219 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.354 -9.394 -4.487 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.414 -8.214 -5.781 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.843 -10.094 -6.241 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.775 -8.686 -6.064 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.716 -9.829 -4.809 1.00 1.89 H new ATOM 1220 N THR A 78 11.716 -4.328 0.558 1.00 0.42 N ATOM 1221 CA THR A 78 11.767 -4.471 2.004 1.00 0.48 C ATOM 1222 C THR A 78 10.484 -3.942 2.643 1.00 0.43 C ATOM 1223 O THR A 78 10.357 -3.897 3.868 1.00 0.53 O ATOM 1224 CB THR A 78 13.001 -3.751 2.604 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.240 -4.217 3.937 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.817 -2.239 2.624 1.00 0.63 C ATOM 0 H THR A 78 11.843 -3.374 0.219 1.00 0.42 H new ATOM 0 HA THR A 78 11.859 -5.534 2.225 1.00 0.48 H new ATOM 0 HB THR A 78 13.856 -3.982 1.969 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.384 -4.393 4.380 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.703 -1.770 3.052 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.670 -1.877 1.606 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.946 -1.986 3.228 1.00 0.63 H new ATOM 1234 N PHE A 79 9.537 -3.551 1.799 1.00 0.36 N ATOM 1235 CA PHE A 79 8.260 -3.026 2.267 1.00 0.38 C ATOM 1236 C PHE A 79 7.105 -3.896 1.779 1.00 0.32 C ATOM 1237 O PHE A 79 5.957 -3.697 2.175 1.00 0.33 O ATOM 1238 CB PHE A 79 8.061 -1.586 1.782 1.00 0.46 C ATOM 1239 CG PHE A 79 9.045 -0.602 2.351 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.194 -0.466 3.722 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.818 0.187 1.515 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.096 0.438 4.247 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.723 1.093 2.037 1.00 1.01 C ATOM 1244 CZ PHE A 79 10.861 1.218 3.404 1.00 0.70 C ATOM 0 H PHE A 79 9.630 -3.588 0.784 1.00 0.36 H new ATOM 0 HA PHE A 79 8.272 -3.037 3.357 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.134 -1.568 0.695 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.052 -1.264 2.040 1.00 0.46 H new ATOM 0 HD1 PHE A 79 8.598 -1.074 4.387 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.713 0.094 0.444 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.203 0.535 5.317 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.321 1.702 1.375 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.567 1.925 3.814 1.00 0.70 H new ATOM 1254 N ILE A 80 7.410 -4.857 0.921 1.00 0.38 N ATOM 1255 CA ILE A 80 6.389 -5.741 0.373 1.00 0.36 C ATOM 1256 C ILE A 80 5.980 -6.807 1.393 1.00 0.33 C ATOM 1257 O ILE A 80 6.824 -7.519 1.941 1.00 0.42 O ATOM 1258 CB ILE A 80 6.875 -6.408 -0.942 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.797 -7.329 -1.525 1.00 0.46 C ATOM 1260 CG2 ILE A 80 8.176 -7.172 -0.729 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.686 -6.590 -2.238 1.00 0.72 C ATOM 0 H ILE A 80 8.355 -5.046 0.588 1.00 0.38 H new ATOM 0 HA ILE A 80 5.514 -5.132 0.144 1.00 0.36 H new ATOM 0 HB ILE A 80 7.067 -5.611 -1.661 1.00 0.46 H new ATOM 0 HG12 ILE A 80 6.264 -8.025 -2.222 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.367 -7.925 -0.720 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.489 -7.627 -1.669 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.949 -6.485 -0.383 1.00 0.58 H new ATOM 0 HG23 ILE A 80 8.022 -7.951 0.018 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.961 -7.307 -2.624 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.192 -5.914 -1.540 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.103 -6.016 -3.065 1.00 0.72 H new ATOM 1273 N ILE A 81 4.681 -6.885 1.678 1.00 0.28 N ATOM 1274 CA ILE A 81 4.172 -7.864 2.633 1.00 0.32 C ATOM 1275 C ILE A 81 3.004 -8.663 2.053 1.00 0.29 C ATOM 1276 O ILE A 81 2.420 -9.515 2.731 1.00 0.31 O ATOM 1277 CB ILE A 81 3.727 -7.210 3.970 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.430 -6.391 3.797 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.842 -6.345 4.551 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.628 -5.013 3.197 1.00 0.77 C ATOM 0 H ILE A 81 3.967 -6.286 1.264 1.00 0.28 H new ATOM 0 HA ILE A 81 5.003 -8.539 2.838 1.00 0.32 H new ATOM 0 HB ILE A 81 3.517 -8.015 4.674 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.743 -6.953 3.164 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.951 -6.284 4.770 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.506 -5.898 5.487 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.721 -6.962 4.739 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.097 -5.556 3.843 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.664 -4.511 3.113 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.287 -4.428 3.839 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.075 -5.108 2.208 1.00 0.77 H new ATOM 1292 N GLY A 82 2.660 -8.398 0.800 1.00 0.32 N ATOM 1293 CA GLY A 82 1.563 -9.114 0.186 1.00 0.35 C ATOM 1294 C GLY A 82 1.097 -8.494 -1.111 1.00 0.31 C ATOM 1295 O GLY A 82 1.734 -7.582 -1.638 1.00 0.34 O ATOM 0 H GLY A 82 3.116 -7.707 0.204 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.869 -10.143 -0.001 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.727 -9.152 0.884 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.027 -8.981 -1.619 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.587 -8.487 -2.870 1.00 0.31 C ATOM 1301 C GLU A 83 -2.102 -8.359 -2.764 1.00 0.32 C ATOM 1302 O GLU A 83 -2.694 -8.769 -1.764 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.209 -9.418 -4.023 1.00 0.37 C ATOM 1304 CG GLU A 83 0.520 -8.709 -5.150 1.00 0.61 C ATOM 1305 CD GLU A 83 0.856 -9.630 -6.301 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.048 -10.535 -6.597 1.00 0.72 O ATOM 1307 OE2 GLU A 83 1.927 -9.450 -6.920 1.00 0.86 O ATOM 0 H GLU A 83 -0.572 -9.723 -1.180 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.172 -7.499 -3.069 1.00 0.31 H new ATOM 0 HB2 GLU A 83 0.420 -10.222 -3.641 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.113 -9.881 -4.419 1.00 0.37 H new ATOM 0 HG2 GLU A 83 -0.097 -7.888 -5.516 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.439 -8.269 -4.762 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.720 -7.795 -3.793 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.163 -7.603 -3.806 1.00 0.44 C ATOM 1316 C LEU A 84 -4.908 -8.875 -4.183 1.00 0.40 C ATOM 1317 O LEU A 84 -4.460 -9.650 -5.034 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.546 -6.488 -4.778 1.00 0.52 C ATOM 1319 CG LEU A 84 -4.897 -5.148 -4.129 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.150 -5.275 -3.277 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.730 -4.637 -3.297 1.00 0.87 C ATOM 0 H LEU A 84 -2.243 -7.462 -4.631 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.454 -7.327 -2.792 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.719 -6.332 -5.471 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.399 -6.821 -5.370 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.097 -4.425 -4.920 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.382 -4.311 -2.825 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.984 -5.592 -3.902 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.983 -6.013 -2.492 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.997 -3.683 -2.843 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.497 -5.359 -2.514 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -2.858 -4.502 -3.937 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.050 -9.059 -3.532 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.932 -10.198 -3.756 1.00 0.48 C ATOM 1335 C HIS A 85 -7.305 -10.301 -5.239 1.00 0.42 C ATOM 1336 O HIS A 85 -7.732 -9.317 -5.837 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.187 -10.001 -2.897 1.00 0.61 C ATOM 1338 CG HIS A 85 -9.032 -11.222 -2.705 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -10.401 -11.206 -2.834 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -8.705 -12.486 -2.354 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -10.880 -12.405 -2.571 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -9.871 -13.202 -2.279 1.00 1.10 N ATOM 0 H HIS A 85 -6.395 -8.412 -2.823 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.430 -11.124 -3.477 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -7.882 -9.633 -1.917 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.800 -9.223 -3.353 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -10.959 -10.392 -3.093 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.710 -12.862 -2.167 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -11.922 -12.687 -2.591 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.147 -11.487 -5.854 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.452 -11.693 -7.278 1.00 0.44 C ATOM 1353 C PRO A 86 -8.890 -11.332 -7.649 1.00 0.40 C ATOM 1354 O PRO A 86 -9.137 -10.687 -8.671 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.205 -13.192 -7.496 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.164 -13.792 -6.133 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.644 -12.718 -5.223 1.00 0.53 C ATOM 0 HA PRO A 86 -6.837 -11.048 -7.905 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.998 -13.637 -8.097 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.269 -13.362 -8.028 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.155 -14.121 -5.822 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.516 -14.668 -6.112 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.018 -12.833 -4.206 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.556 -12.728 -5.166 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.833 -11.740 -6.808 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.249 -11.466 -7.039 1.00 0.43 C ATOM 1367 C ASP A 87 -11.537 -9.971 -6.988 1.00 0.41 C ATOM 1368 O ASP A 87 -12.540 -9.504 -7.523 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.109 -12.193 -6.003 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.985 -13.701 -6.094 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.970 -14.246 -5.601 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.895 -14.349 -6.653 1.00 1.30 O ATOM 0 H ASP A 87 -9.642 -12.265 -5.955 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.499 -11.831 -8.035 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.819 -11.868 -5.004 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.153 -11.909 -6.140 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.649 -9.225 -6.350 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.802 -7.779 -6.231 1.00 0.50 C ATOM 1379 C ASP A 88 -9.792 -7.074 -7.123 1.00 0.49 C ATOM 1380 O ASP A 88 -9.553 -5.877 -6.984 1.00 0.64 O ATOM 1381 CB ASP A 88 -10.609 -7.326 -4.780 1.00 0.60 C ATOM 1382 CG ASP A 88 -11.691 -7.844 -3.856 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.552 -8.976 -3.346 1.00 1.20 O ATOM 1384 OD2 ASP A 88 -12.679 -7.119 -3.628 1.00 1.22 O ATOM 0 H ASP A 88 -9.810 -9.597 -5.904 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.812 -7.517 -6.546 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -9.638 -7.669 -4.423 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -10.596 -6.237 -4.743 1.00 0.60 H new ATOM 1389 N ARG A 89 -9.201 -7.827 -8.044 1.00 0.44 N ATOM 1390 CA ARG A 89 -8.210 -7.279 -8.955 1.00 0.51 C ATOM 1391 C ARG A 89 -8.660 -7.425 -10.405 1.00 0.57 C ATOM 1392 O ARG A 89 -8.837 -6.434 -11.108 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.862 -7.975 -8.756 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.721 -7.316 -9.511 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.539 -8.257 -9.675 1.00 0.88 C ATOM 1396 NE ARG A 89 -4.075 -8.808 -8.400 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.829 -9.234 -8.186 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.916 -9.139 -9.144 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.495 -9.749 -7.010 1.00 0.81 N ATOM 0 H ARG A 89 -9.393 -8.820 -8.177 1.00 0.44 H new ATOM 0 HA ARG A 89 -8.100 -6.217 -8.733 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.623 -7.989 -7.693 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.948 -9.013 -9.077 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -6.071 -6.996 -10.493 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -5.402 -6.420 -8.979 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.820 -9.075 -10.339 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.719 -7.724 -10.156 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.743 -8.870 -7.631 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -2.166 -8.739 -10.048 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.965 -9.466 -8.976 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.191 -9.820 -6.268 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.542 -10.074 -6.848 1.00 0.81 H new ATOM 1413 N SER A 90 -8.851 -8.659 -10.845 1.00 0.50 N ATOM 1414 CA SER A 90 -9.260 -8.919 -12.219 1.00 0.59 C ATOM 1415 C SER A 90 -10.683 -9.473 -12.282 1.00 0.57 C ATOM 1416 O SER A 90 -11.024 -10.240 -13.183 1.00 0.88 O ATOM 1417 CB SER A 90 -8.284 -9.900 -12.865 1.00 0.71 C ATOM 1418 OG SER A 90 -6.938 -9.557 -12.563 1.00 1.16 O ATOM 0 H SER A 90 -8.730 -9.495 -10.273 1.00 0.50 H new ATOM 0 HA SER A 90 -9.247 -7.976 -12.765 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.493 -10.910 -12.513 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.428 -9.903 -13.945 1.00 0.71 H new ATOM 0 HG SER A 90 -6.333 -10.201 -12.987 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.513 -9.077 -11.328 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.896 -9.531 -11.291 1.00 0.49 C ATOM 1426 C LYS A 91 -13.815 -8.420 -10.796 1.00 0.51 C ATOM 1427 O LYS A 91 -14.683 -7.955 -11.535 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.033 -10.776 -10.409 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.986 -12.082 -11.188 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.135 -13.282 -10.269 1.00 1.09 C ATOM 1431 CE LYS A 91 -11.795 -13.936 -9.964 1.00 1.24 C ATOM 1432 NZ LYS A 91 -11.228 -14.626 -11.152 1.00 1.76 N ATOM 0 H LYS A 91 -11.254 -8.444 -10.571 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.195 -9.795 -12.305 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.234 -10.776 -9.668 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.975 -10.722 -9.863 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -13.782 -12.092 -11.933 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -12.042 -12.151 -11.729 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.606 -12.969 -9.337 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -13.798 -14.013 -10.732 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.093 -13.178 -9.616 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -11.918 -14.653 -9.153 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -10.509 -15.311 -10.845 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -11.987 -15.124 -11.659 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -10.791 -13.926 -11.785 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.607 -7.996 -9.549 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.406 -6.932 -8.932 1.00 0.55 C ATOM 1448 C LEU A 92 -15.872 -7.350 -8.840 1.00 0.58 C ATOM 1449 O LEU A 92 -16.782 -6.537 -9.016 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.280 -5.613 -9.714 1.00 0.65 C ATOM 1451 CG LEU A 92 -13.070 -4.735 -9.366 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.956 -4.538 -7.860 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.791 -5.332 -9.927 1.00 0.90 C ATOM 0 H LEU A 92 -12.884 -8.377 -8.939 1.00 0.48 H new ATOM 0 HA LEU A 92 -14.020 -6.768 -7.926 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.239 -5.847 -10.778 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -15.186 -5.029 -9.551 1.00 0.65 H new ATOM 0 HG LEU A 92 -13.220 -3.758 -9.825 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -12.091 -3.913 -7.639 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.859 -4.054 -7.487 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.837 -5.507 -7.374 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.947 -4.693 -9.668 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.637 -6.325 -9.505 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.870 -5.407 -11.012 1.00 0.90 H new ATOM 1465 N SER A 93 -16.091 -8.623 -8.546 1.00 0.52 N ATOM 1466 CA SER A 93 -17.437 -9.164 -8.438 1.00 0.57 C ATOM 1467 C SER A 93 -17.916 -9.142 -6.987 1.00 0.58 C ATOM 1468 O SER A 93 -18.353 -10.158 -6.448 1.00 0.70 O ATOM 1469 CB SER A 93 -17.457 -10.587 -8.994 1.00 0.62 C ATOM 1470 OG SER A 93 -16.653 -10.679 -10.162 1.00 0.70 O ATOM 0 H SER A 93 -15.350 -9.303 -8.377 1.00 0.52 H new ATOM 0 HA SER A 93 -18.119 -8.544 -9.020 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.092 -11.283 -8.239 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.481 -10.878 -9.227 1.00 0.62 H new ATOM 0 HG SER A 93 -16.676 -11.597 -10.503 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.830 -7.974 -6.360 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.248 -7.812 -4.975 1.00 0.60 C ATOM 1478 C LYS A 94 -19.008 -6.502 -4.802 1.00 0.71 C ATOM 1479 O LYS A 94 -18.606 -5.470 -5.344 1.00 0.82 O ATOM 1480 CB LYS A 94 -17.032 -7.844 -4.039 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.505 -9.246 -3.763 1.00 0.73 C ATOM 1482 CD LYS A 94 -15.124 -9.217 -3.123 1.00 0.75 C ATOM 1483 CE LYS A 94 -15.164 -8.623 -1.723 1.00 0.85 C ATOM 1484 NZ LYS A 94 -14.271 -7.441 -1.597 1.00 0.93 N ATOM 0 H LYS A 94 -17.473 -7.122 -6.793 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.909 -8.639 -4.716 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.233 -7.245 -4.476 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.301 -7.374 -3.093 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -17.198 -9.772 -3.107 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.461 -9.808 -4.696 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.723 -10.230 -3.077 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.446 -8.634 -3.746 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -16.186 -8.333 -1.481 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.867 -9.381 -0.998 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.505 -7.654 -0.926 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.864 -7.213 -2.526 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -14.818 -6.628 -1.250 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.128 -6.535 -4.063 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.948 -5.347 -3.812 1.00 0.92 C ATOM 1500 C PRO A 95 -20.299 -4.392 -2.813 1.00 0.95 C ATOM 1501 O PRO A 95 -19.570 -4.818 -1.915 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.240 -5.931 -3.236 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.824 -7.205 -2.588 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.689 -7.741 -3.416 1.00 0.84 C ATOM 0 HA PRO A 95 -21.095 -4.752 -4.713 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.695 -5.251 -2.516 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.978 -6.107 -4.019 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.509 -7.034 -1.559 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.651 -7.914 -2.555 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.946 -8.246 -2.798 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -21.037 -8.465 -4.152 1.00 0.84 H new ATOM 1512 N MET A 96 -20.555 -3.102 -2.980 1.00 1.06 N ATOM 1513 CA MET A 96 -20.001 -2.095 -2.089 1.00 1.14 C ATOM 1514 C MET A 96 -20.940 -1.849 -0.911 1.00 1.16 C ATOM 1515 O MET A 96 -20.606 -2.171 0.229 1.00 1.25 O ATOM 1516 CB MET A 96 -19.749 -0.793 -2.854 1.00 1.31 C ATOM 1517 CG MET A 96 -19.183 0.322 -1.994 1.00 1.38 C ATOM 1518 SD MET A 96 -18.796 1.800 -2.951 1.00 1.63 S ATOM 1519 CE MET A 96 -20.399 2.188 -3.659 1.00 1.94 C ATOM 0 H MET A 96 -21.143 -2.729 -3.725 1.00 1.06 H new ATOM 0 HA MET A 96 -19.051 -2.460 -1.700 1.00 1.14 H new ATOM 0 HB2 MET A 96 -19.060 -0.992 -3.675 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.686 -0.457 -3.299 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.901 0.575 -1.214 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.281 -0.031 -1.495 1.00 1.38 H new ATOM 0 HE1 MET A 96 -20.428 3.241 -3.938 1.00 1.94 H new ATOM 0 HE2 MET A 96 -20.564 1.574 -4.544 1.00 1.94 H new ATOM 0 HE3 MET A 96 -21.179 1.985 -2.926 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.113 -1.293 -1.207 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.129 -1.004 -0.192 1.00 1.22 C ATOM 1531 C GLU A 97 -22.609 -0.048 0.886 1.00 1.29 C ATOM 1532 O GLU A 97 -22.043 -0.472 1.899 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.638 -2.304 0.444 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.843 -2.115 1.350 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.589 -3.410 1.583 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.179 -4.191 2.462 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.594 -3.653 0.878 1.00 2.57 O ATOM 0 H GLU A 97 -22.387 -1.030 -2.154 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.958 -0.507 -0.695 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.898 -3.007 -0.348 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.830 -2.756 1.020 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.516 -1.708 2.307 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.518 -1.383 0.907 1.00 1.50 H new ATOM 1544 N THR A 98 -22.801 1.242 0.661 1.00 1.31 N ATOM 1545 CA THR A 98 -22.364 2.257 1.604 1.00 1.40 C ATOM 1546 C THR A 98 -23.163 3.551 1.411 1.00 1.39 C ATOM 1547 O THR A 98 -24.081 3.600 0.589 1.00 1.35 O ATOM 1548 CB THR A 98 -20.850 2.536 1.458 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.388 3.365 2.535 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.542 3.207 0.126 1.00 1.37 C ATOM 0 H THR A 98 -23.259 1.612 -0.172 1.00 1.31 H new ATOM 0 HA THR A 98 -22.546 1.880 2.610 1.00 1.40 H new ATOM 0 HB THR A 98 -20.330 1.579 1.492 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.428 3.532 2.431 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.470 3.391 0.051 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.857 2.557 -0.690 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.078 4.154 0.063 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.806 4.583 2.180 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.472 5.888 2.122 1.00 1.48 C ATOM 1560 C LEU A 99 -24.975 5.762 2.354 1.00 1.52 C ATOM 1561 O LEU A 99 -25.784 6.209 1.541 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.201 6.572 0.777 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.747 6.984 0.531 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.550 7.417 -0.912 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.338 8.104 1.476 1.00 1.61 C ATOM 0 H LEU A 99 -22.047 4.538 2.860 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.059 6.502 2.922 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.510 5.899 -0.023 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.829 7.460 0.707 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.113 6.119 0.724 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.510 7.706 -1.066 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.800 6.590 -1.577 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.198 8.266 -1.129 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.301 8.381 1.284 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.981 8.969 1.315 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.438 7.765 2.507 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.344 5.149 3.471 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.751 4.968 3.814 1.00 1.68 C ATOM 1579 C ILE A 100 -27.088 5.691 5.114 1.00 1.72 C ATOM 1580 O ILE A 100 -28.181 5.535 5.659 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.125 3.476 3.952 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.168 2.770 4.916 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.110 2.801 2.590 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.606 1.374 5.297 1.00 1.79 C ATOM 0 H ILE A 100 -24.690 4.769 4.155 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.331 5.394 2.996 1.00 1.68 H new ATOM 0 HB ILE A 100 -28.133 3.406 4.361 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -25.180 2.719 4.459 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -26.070 3.370 5.821 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.375 1.750 2.702 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.831 3.289 1.934 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.113 2.879 2.156 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.878 0.938 5.982 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.580 1.418 5.783 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.676 0.757 4.401 1.00 1.79 H new ATOM 1596 N THR A 101 -26.147 6.488 5.600 1.00 1.73 N ATOM 1597 CA THR A 101 -26.338 7.227 6.837 1.00 1.77 C ATOM 1598 C THR A 101 -26.154 8.727 6.616 1.00 1.85 C ATOM 1599 O THR A 101 -25.139 9.163 6.069 1.00 1.80 O ATOM 1600 CB THR A 101 -25.360 6.746 7.927 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.852 5.443 7.589 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.048 6.694 9.284 1.00 1.98 C ATOM 0 H THR A 101 -25.242 6.639 5.154 1.00 1.73 H new ATOM 0 HA THR A 101 -27.359 7.041 7.169 1.00 1.77 H new ATOM 0 HB THR A 101 -24.533 7.454 7.984 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.230 5.144 8.285 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.339 6.352 10.038 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.407 7.689 9.548 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.891 6.004 9.239 1.00 1.98 H new ATOM 1610 N THR A 102 -27.143 9.505 7.029 1.00 2.05 N ATOM 1611 CA THR A 102 -27.102 10.949 6.884 1.00 2.18 C ATOM 1612 C THR A 102 -26.356 11.592 8.053 1.00 2.11 C ATOM 1613 O THR A 102 -26.965 12.133 8.979 1.00 2.23 O ATOM 1614 CB THR A 102 -28.531 11.518 6.806 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.469 10.441 6.652 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.667 12.477 5.637 1.00 2.72 C ATOM 0 H THR A 102 -27.992 9.154 7.472 1.00 2.05 H new ATOM 0 HA THR A 102 -26.571 11.181 5.961 1.00 2.18 H new ATOM 0 HB THR A 102 -28.738 12.062 7.728 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.378 10.803 6.604 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.685 12.866 5.602 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.967 13.303 5.761 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.447 11.951 4.708 1.00 2.72 H new ATOM 1624 N VAL A 103 -25.032 11.522 8.007 1.00 2.05 N ATOM 1625 CA VAL A 103 -24.202 12.081 9.066 1.00 2.08 C ATOM 1626 C VAL A 103 -24.067 13.596 8.936 1.00 2.14 C ATOM 1627 O VAL A 103 -23.559 14.263 9.841 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.797 11.443 9.079 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.885 9.964 9.424 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.095 11.644 7.743 1.00 1.94 C ATOM 0 H VAL A 103 -24.510 11.084 7.248 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.704 11.852 10.006 1.00 2.08 H new ATOM 0 HB VAL A 103 -22.206 11.941 9.848 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.885 9.531 9.428 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.335 9.846 10.410 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.498 9.453 8.682 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.107 11.185 7.779 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.682 11.180 6.950 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.993 12.711 7.543 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.520 14.138 7.816 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.444 15.571 7.581 1.00 2.30 C ATOM 1642 C ASP A 104 -25.643 16.266 8.214 1.00 2.65 C ATOM 1643 O ASP A 104 -25.434 17.145 9.077 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.360 15.888 6.080 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.554 15.388 5.288 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.671 14.159 5.078 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -26.369 16.227 4.841 1.00 2.82 O ATOM 0 H ASP A 104 -24.944 13.607 7.056 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.532 15.946 8.046 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -24.273 16.967 5.949 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -23.452 15.443 5.673 1.00 2.32 H new