USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1061 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 113 CYS SG : rot 97:sc= -2.63! USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0.386 USER MOD Set 1.3: A 117 THR OG1 : rot 84:sc= 0.374 USER MOD Set 2.1: A 79 MET CE :methyl -122:sc= -0.672 (180deg=-1.75!) USER MOD Set 2.2: A 89 HIS : no HD1:sc= -1.29 K(o=-2,f=-3.3!) USER MOD Set 3.1: A 31 HIS : no HD1:sc= 0.0316 K(o=-4.1,f=-5.9) USER MOD Set 3.2: A 33 GLN :FLIP amide:sc= -4.11! C(o=-5.4!,f=-4.1!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 56:sc= 0.285 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.433 K(o=0.43,f=-1.6!) USER MOD Single : A 35 SER OG : rot -54:sc= 0.443 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 45 HIS : no HD1:sc= 0.0531 K(o=0.053,f=-2.8) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0.31 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0 USER MOD Single : A 87 THR OG1 : rot 140:sc= 0.211 USER MOD Single : A 88 ASN : amide:sc= 0.292 K(o=0.29,f=-8.2!) USER MOD Single : A 102 HIS :FLIP no HD1:sc=-0.000818 F(o=-1.6!,f=-0.00082) USER MOD Single : A 103 CYS SG : rot -176:sc= -3.19! USER MOD Single : A 104 THR OG1 : rot -103:sc= 0.912 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.89) USER MOD Single : A 141 TYR OH : rot 60:sc= -0.405 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.267 13.787 9.920 1.00 54.22 N ATOM 21 CA ALA A 2 -2.013 13.639 8.464 1.00 35.41 C ATOM 22 C ALA A 2 -1.944 12.135 8.088 1.00 60.52 C ATOM 23 O ALA A 2 -1.156 11.721 7.221 1.00 40.32 O ATOM 24 CB ALA A 2 -0.718 14.396 8.097 1.00 33.14 C ATOM 0 HA ALA A 2 -2.831 14.075 7.890 1.00 35.41 H new ATOM 0 HB1 ALA A 2 -0.526 14.291 7.029 1.00 33.14 H new ATOM 0 HB2 ALA A 2 -0.831 15.452 8.344 1.00 33.14 H new ATOM 0 HB3 ALA A 2 0.118 13.980 8.659 1.00 33.14 H new ATOM 30 N THR A 3 -2.835 11.333 8.717 1.00 2.21 N ATOM 31 CA THR A 3 -2.828 9.854 8.607 1.00 64.51 C ATOM 32 C THR A 3 -4.026 9.351 7.765 1.00 33.14 C ATOM 33 O THR A 3 -5.188 9.480 8.161 1.00 1.42 O ATOM 34 CB THR A 3 -2.849 9.169 10.019 1.00 63.22 C ATOM 35 OG1 THR A 3 -1.776 9.692 10.827 1.00 23.10 O ATOM 36 CG2 THR A 3 -2.709 7.631 9.923 1.00 24.01 C ATOM 0 H THR A 3 -3.579 11.692 9.315 1.00 2.21 H new ATOM 0 HA THR A 3 -1.901 9.578 8.104 1.00 64.51 H new ATOM 0 HB THR A 3 -3.814 9.390 10.475 1.00 63.22 H new ATOM 0 HG1 THR A 3 -1.792 9.264 11.709 1.00 23.10 H new ATOM 0 HG21 THR A 3 -2.729 7.201 10.924 1.00 24.01 H new ATOM 0 HG22 THR A 3 -3.535 7.226 9.338 1.00 24.01 H new ATOM 0 HG23 THR A 3 -1.765 7.381 9.439 1.00 24.01 H new ATOM 44 N LEU A 4 -3.707 8.789 6.596 1.00 23.31 N ATOM 45 CA LEU A 4 -4.684 8.267 5.616 1.00 10.52 C ATOM 46 C LEU A 4 -4.832 6.739 5.762 1.00 40.02 C ATOM 47 O LEU A 4 -3.908 6.006 5.451 1.00 11.44 O ATOM 48 CB LEU A 4 -4.204 8.606 4.173 1.00 51.35 C ATOM 49 CG LEU A 4 -4.367 10.082 3.678 1.00 1.32 C ATOM 50 CD1 LEU A 4 -3.731 11.124 4.620 1.00 11.55 C ATOM 51 CD2 LEU A 4 -3.784 10.220 2.265 1.00 55.03 C ATOM 0 H LEU A 4 -2.740 8.678 6.290 1.00 23.31 H new ATOM 0 HA LEU A 4 -5.651 8.733 5.803 1.00 10.52 H new ATOM 0 HB2 LEU A 4 -3.149 8.343 4.101 1.00 51.35 H new ATOM 0 HB3 LEU A 4 -4.742 7.959 3.480 1.00 51.35 H new ATOM 0 HG LEU A 4 -5.436 10.293 3.670 1.00 1.32 H new ATOM 0 HD11 LEU A 4 -3.883 12.124 4.213 1.00 11.55 H new ATOM 0 HD12 LEU A 4 -4.197 11.058 5.603 1.00 11.55 H new ATOM 0 HD13 LEU A 4 -2.663 10.928 4.711 1.00 11.55 H new ATOM 0 HD21 LEU A 4 -3.899 11.249 1.923 1.00 55.03 H new ATOM 0 HD22 LEU A 4 -2.726 9.959 2.281 1.00 55.03 H new ATOM 0 HD23 LEU A 4 -4.313 9.551 1.586 1.00 55.03 H new ATOM 63 N ARG A 5 -5.999 6.260 6.202 1.00 11.55 N ATOM 64 CA ARG A 5 -6.257 4.806 6.372 1.00 24.44 C ATOM 65 C ARG A 5 -7.309 4.324 5.355 1.00 65.30 C ATOM 66 O ARG A 5 -8.351 4.965 5.172 1.00 14.21 O ATOM 67 CB ARG A 5 -6.725 4.492 7.820 1.00 0.34 C ATOM 68 CG ARG A 5 -7.064 2.999 8.078 1.00 70.31 C ATOM 69 CD ARG A 5 -7.530 2.736 9.523 1.00 42.52 C ATOM 70 NE ARG A 5 -8.709 3.548 9.885 1.00 1.13 N ATOM 71 CZ ARG A 5 -8.969 4.035 11.084 1.00 30.04 C ATOM 72 NH1 ARG A 5 -8.182 3.808 12.091 1.00 45.23 N ATOM 73 NH2 ARG A 5 -10.022 4.761 11.255 1.00 20.42 N ATOM 0 H ARG A 5 -6.791 6.852 6.451 1.00 11.55 H new ATOM 0 HA ARG A 5 -5.324 4.273 6.191 1.00 24.44 H new ATOM 0 HB2 ARG A 5 -5.944 4.799 8.515 1.00 0.34 H new ATOM 0 HB3 ARG A 5 -7.605 5.095 8.043 1.00 0.34 H new ATOM 0 HG2 ARG A 5 -7.844 2.683 7.386 1.00 70.31 H new ATOM 0 HG3 ARG A 5 -6.185 2.389 7.867 1.00 70.31 H new ATOM 0 HD2 ARG A 5 -7.769 1.679 9.639 1.00 42.52 H new ATOM 0 HD3 ARG A 5 -6.714 2.956 10.212 1.00 42.52 H new ATOM 0 HE ARG A 5 -9.381 3.750 9.144 1.00 1.13 H new ATOM 0 HH11 ARG A 5 -7.342 3.243 11.965 1.00 45.23 H new ATOM 0 HH12 ARG A 5 -8.403 4.195 13.009 1.00 45.23 H new ATOM 0 HH21 ARG A 5 -10.643 4.953 10.468 1.00 20.42 H new ATOM 0 HH22 ARG A 5 -10.234 5.143 12.177 1.00 20.42 H new ATOM 87 N ARG A 6 -7.020 3.193 4.687 1.00 51.21 N ATOM 88 CA ARG A 6 -7.961 2.543 3.756 1.00 41.21 C ATOM 89 C ARG A 6 -7.959 1.015 3.992 1.00 0.40 C ATOM 90 O ARG A 6 -6.913 0.439 4.293 1.00 42.31 O ATOM 91 CB ARG A 6 -7.593 2.885 2.271 1.00 54.10 C ATOM 92 CG ARG A 6 -8.789 2.799 1.277 1.00 24.52 C ATOM 93 CD ARG A 6 -9.656 4.092 1.241 1.00 51.53 C ATOM 94 NE ARG A 6 -9.952 4.642 2.584 1.00 12.30 N ATOM 95 CZ ARG A 6 -11.103 4.576 3.225 1.00 4.22 C ATOM 96 NH1 ARG A 6 -12.105 3.887 2.771 1.00 72.35 N ATOM 97 NH2 ARG A 6 -11.220 5.180 4.356 1.00 13.24 N ATOM 0 H ARG A 6 -6.129 2.704 4.777 1.00 51.21 H new ATOM 0 HA ARG A 6 -8.966 2.922 3.944 1.00 41.21 H new ATOM 0 HB2 ARG A 6 -7.178 3.892 2.235 1.00 54.10 H new ATOM 0 HB3 ARG A 6 -6.809 2.205 1.938 1.00 54.10 H new ATOM 0 HG2 ARG A 6 -8.407 2.599 0.276 1.00 24.52 H new ATOM 0 HG3 ARG A 6 -9.421 1.954 1.552 1.00 24.52 H new ATOM 0 HD2 ARG A 6 -9.139 4.850 0.652 1.00 51.53 H new ATOM 0 HD3 ARG A 6 -10.595 3.877 0.730 1.00 51.53 H new ATOM 0 HE ARG A 6 -9.188 5.120 3.062 1.00 12.30 H new ATOM 0 HH11 ARG A 6 -12.016 3.375 1.893 1.00 72.35 H new ATOM 0 HH12 ARG A 6 -12.981 3.857 3.292 1.00 72.35 H new ATOM 0 HH21 ARG A 6 -10.431 5.698 4.742 1.00 13.24 H new ATOM 0 HH22 ARG A 6 -12.102 5.140 4.866 1.00 13.24 H new ATOM 111 N SER A 7 -9.132 0.377 3.864 1.00 44.24 N ATOM 112 CA SER A 7 -9.289 -1.094 4.023 1.00 24.53 C ATOM 113 C SER A 7 -10.340 -1.640 3.028 1.00 4.22 C ATOM 114 O SER A 7 -11.191 -0.884 2.537 1.00 44.21 O ATOM 115 CB SER A 7 -9.691 -1.455 5.477 1.00 43.24 C ATOM 116 OG SER A 7 -10.967 -0.930 5.821 1.00 64.23 O ATOM 0 H SER A 7 -10.005 0.858 3.647 1.00 44.24 H new ATOM 0 HA SER A 7 -8.327 -1.559 3.807 1.00 24.53 H new ATOM 0 HB2 SER A 7 -9.702 -2.539 5.592 1.00 43.24 H new ATOM 0 HB3 SER A 7 -8.941 -1.068 6.167 1.00 43.24 H new ATOM 0 HG SER A 7 -11.186 -1.180 6.743 1.00 64.23 H new ATOM 122 N VAL A 8 -10.278 -2.956 2.738 1.00 4.25 N ATOM 123 CA VAL A 8 -11.198 -3.614 1.780 1.00 1.21 C ATOM 124 C VAL A 8 -11.372 -5.118 2.112 1.00 62.14 C ATOM 125 O VAL A 8 -10.417 -5.773 2.527 1.00 4.34 O ATOM 126 CB VAL A 8 -10.661 -3.442 0.306 1.00 33.51 C ATOM 127 CG1 VAL A 8 -9.355 -4.256 0.065 1.00 43.52 C ATOM 128 CG2 VAL A 8 -11.750 -3.768 -0.744 1.00 4.40 C ATOM 0 H VAL A 8 -9.596 -3.590 3.156 1.00 4.25 H new ATOM 0 HA VAL A 8 -12.173 -3.134 1.864 1.00 1.21 H new ATOM 0 HB VAL A 8 -10.404 -2.390 0.180 1.00 33.51 H new ATOM 0 HG11 VAL A 8 -9.019 -4.110 -0.962 1.00 43.52 H new ATOM 0 HG12 VAL A 8 -8.581 -3.914 0.752 1.00 43.52 H new ATOM 0 HG13 VAL A 8 -9.549 -5.315 0.236 1.00 43.52 H new ATOM 0 HG21 VAL A 8 -11.340 -3.637 -1.746 1.00 4.40 H new ATOM 0 HG22 VAL A 8 -12.079 -4.799 -0.618 1.00 4.40 H new ATOM 0 HG23 VAL A 8 -12.598 -3.097 -0.609 1.00 4.40 H new ATOM 138 N GLU A 9 -12.596 -5.655 1.925 1.00 51.53 N ATOM 139 CA GLU A 9 -12.869 -7.104 2.088 1.00 23.23 C ATOM 140 C GLU A 9 -12.570 -7.844 0.767 1.00 64.04 C ATOM 141 O GLU A 9 -13.300 -7.703 -0.202 1.00 74.21 O ATOM 142 CB GLU A 9 -14.342 -7.353 2.550 1.00 3.23 C ATOM 143 CG GLU A 9 -14.620 -7.068 4.048 1.00 34.14 C ATOM 144 CD GLU A 9 -14.438 -5.594 4.456 1.00 15.20 C ATOM 145 OE1 GLU A 9 -15.348 -4.779 4.203 1.00 72.55 O ATOM 146 OE2 GLU A 9 -13.380 -5.241 5.020 1.00 32.51 O ATOM 0 H GLU A 9 -13.415 -5.107 1.660 1.00 51.53 H new ATOM 0 HA GLU A 9 -12.214 -7.496 2.866 1.00 23.23 H new ATOM 0 HB2 GLU A 9 -15.005 -6.730 1.949 1.00 3.23 H new ATOM 0 HB3 GLU A 9 -14.602 -8.391 2.340 1.00 3.23 H new ATOM 0 HG2 GLU A 9 -15.640 -7.374 4.281 1.00 34.14 H new ATOM 0 HG3 GLU A 9 -13.956 -7.685 4.653 1.00 34.14 H new ATOM 153 N VAL A 10 -11.486 -8.626 0.748 1.00 14.12 N ATOM 154 CA VAL A 10 -11.023 -9.354 -0.451 1.00 1.44 C ATOM 155 C VAL A 10 -11.644 -10.776 -0.513 1.00 14.32 C ATOM 156 O VAL A 10 -11.567 -11.531 0.471 1.00 21.34 O ATOM 157 CB VAL A 10 -9.456 -9.457 -0.440 1.00 31.30 C ATOM 158 CG1 VAL A 10 -8.924 -10.154 -1.712 1.00 24.50 C ATOM 159 CG2 VAL A 10 -8.810 -8.058 -0.257 1.00 0.12 C ATOM 0 H VAL A 10 -10.897 -8.777 1.567 1.00 14.12 H new ATOM 0 HA VAL A 10 -11.345 -8.801 -1.333 1.00 1.44 H new ATOM 0 HB VAL A 10 -9.172 -10.074 0.412 1.00 31.30 H new ATOM 0 HG11 VAL A 10 -7.836 -10.207 -1.670 1.00 24.50 H new ATOM 0 HG12 VAL A 10 -9.335 -11.162 -1.773 1.00 24.50 H new ATOM 0 HG13 VAL A 10 -9.225 -9.585 -2.592 1.00 24.50 H new ATOM 0 HG21 VAL A 10 -7.724 -8.156 -0.253 1.00 0.12 H new ATOM 0 HG22 VAL A 10 -9.112 -7.408 -1.078 1.00 0.12 H new ATOM 0 HG23 VAL A 10 -9.139 -7.626 0.688 1.00 0.12 H new ATOM 169 N ALA A 11 -12.264 -11.131 -1.666 1.00 3.10 N ATOM 170 CA ALA A 11 -12.809 -12.484 -1.906 1.00 15.42 C ATOM 171 C ALA A 11 -11.679 -13.496 -2.263 1.00 4.43 C ATOM 172 O ALA A 11 -11.598 -13.984 -3.400 1.00 65.31 O ATOM 173 CB ALA A 11 -13.896 -12.410 -3.004 1.00 12.53 C ATOM 0 H ALA A 11 -12.398 -10.490 -2.448 1.00 3.10 H new ATOM 0 HA ALA A 11 -13.270 -12.854 -0.990 1.00 15.42 H new ATOM 0 HB1 ALA A 11 -14.300 -13.406 -3.184 1.00 12.53 H new ATOM 0 HB2 ALA A 11 -14.697 -11.747 -2.679 1.00 12.53 H new ATOM 0 HB3 ALA A 11 -13.458 -12.025 -3.925 1.00 12.53 H new ATOM 179 N ALA A 12 -10.806 -13.794 -1.269 1.00 11.34 N ATOM 180 CA ALA A 12 -9.613 -14.660 -1.456 1.00 2.23 C ATOM 181 C ALA A 12 -8.910 -14.968 -0.106 1.00 62.31 C ATOM 182 O ALA A 12 -9.005 -14.164 0.838 1.00 34.24 O ATOM 183 CB ALA A 12 -8.619 -13.999 -2.419 1.00 51.51 C ATOM 0 H ALA A 12 -10.908 -13.442 -0.317 1.00 11.34 H new ATOM 0 HA ALA A 12 -9.958 -15.603 -1.881 1.00 2.23 H new ATOM 0 HB1 ALA A 12 -7.751 -14.645 -2.546 1.00 51.51 H new ATOM 0 HB2 ALA A 12 -9.098 -13.842 -3.385 1.00 51.51 H new ATOM 0 HB3 ALA A 12 -8.301 -13.040 -2.011 1.00 51.51 H new ATOM 189 N PRO A 13 -8.179 -16.134 -0.003 1.00 41.43 N ATOM 190 CA PRO A 13 -7.424 -16.517 1.223 1.00 51.40 C ATOM 191 C PRO A 13 -6.283 -15.527 1.570 1.00 73.43 C ATOM 192 O PRO A 13 -5.451 -15.236 0.712 1.00 72.14 O ATOM 193 CB PRO A 13 -6.852 -17.925 0.880 1.00 10.21 C ATOM 194 CG PRO A 13 -7.666 -18.406 -0.284 1.00 4.25 C ATOM 195 CD PRO A 13 -8.033 -17.174 -1.062 1.00 53.12 C ATOM 0 HA PRO A 13 -8.066 -16.508 2.104 1.00 51.40 H new ATOM 0 HB2 PRO A 13 -5.794 -17.869 0.624 1.00 10.21 H new ATOM 0 HB3 PRO A 13 -6.939 -18.603 1.729 1.00 10.21 H new ATOM 0 HG2 PRO A 13 -7.096 -19.102 -0.899 1.00 4.25 H new ATOM 0 HG3 PRO A 13 -8.557 -18.935 0.054 1.00 4.25 H new ATOM 0 HD2 PRO A 13 -7.260 -16.908 -1.784 1.00 53.12 H new ATOM 0 HD3 PRO A 13 -8.958 -17.312 -1.622 1.00 53.12 H new ATOM 203 N ALA A 14 -6.274 -15.022 2.826 1.00 25.52 N ATOM 204 CA ALA A 14 -5.281 -14.035 3.344 1.00 61.43 C ATOM 205 C ALA A 14 -3.804 -14.340 2.985 1.00 44.22 C ATOM 206 O ALA A 14 -3.048 -13.424 2.670 1.00 14.54 O ATOM 207 CB ALA A 14 -5.437 -13.915 4.871 1.00 23.33 C ATOM 0 H ALA A 14 -6.967 -15.290 3.525 1.00 25.52 H new ATOM 0 HA ALA A 14 -5.506 -13.093 2.845 1.00 61.43 H new ATOM 0 HB1 ALA A 14 -4.714 -13.195 5.255 1.00 23.33 H new ATOM 0 HB2 ALA A 14 -6.446 -13.578 5.108 1.00 23.33 H new ATOM 0 HB3 ALA A 14 -5.261 -14.887 5.332 1.00 23.33 H new ATOM 213 N ALA A 15 -3.400 -15.619 3.083 1.00 44.53 N ATOM 214 CA ALA A 15 -2.030 -16.061 2.711 1.00 45.13 C ATOM 215 C ALA A 15 -1.735 -15.839 1.207 1.00 25.43 C ATOM 216 O ALA A 15 -0.664 -15.342 0.843 1.00 54.13 O ATOM 217 CB ALA A 15 -1.828 -17.538 3.082 1.00 0.01 C ATOM 0 H ALA A 15 -4.000 -16.373 3.417 1.00 44.53 H new ATOM 0 HA ALA A 15 -1.326 -15.449 3.274 1.00 45.13 H new ATOM 0 HB1 ALA A 15 -0.821 -17.848 2.804 1.00 0.01 H new ATOM 0 HB2 ALA A 15 -1.964 -17.665 4.156 1.00 0.01 H new ATOM 0 HB3 ALA A 15 -2.556 -18.150 2.549 1.00 0.01 H new ATOM 223 N ASP A 16 -2.686 -16.245 0.347 1.00 33.14 N ATOM 224 CA ASP A 16 -2.598 -16.061 -1.124 1.00 34.31 C ATOM 225 C ASP A 16 -2.599 -14.562 -1.524 1.00 50.05 C ATOM 226 O ASP A 16 -1.901 -14.161 -2.461 1.00 72.54 O ATOM 227 CB ASP A 16 -3.764 -16.809 -1.809 1.00 63.21 C ATOM 228 CG ASP A 16 -3.697 -18.336 -1.591 1.00 55.24 C ATOM 229 OD1 ASP A 16 -3.847 -18.793 -0.433 1.00 65.34 O ATOM 230 OD2 ASP A 16 -3.513 -19.089 -2.576 1.00 71.01 O ATOM 0 H ASP A 16 -3.542 -16.712 0.647 1.00 33.14 H new ATOM 0 HA ASP A 16 -1.649 -16.478 -1.461 1.00 34.31 H new ATOM 0 HB2 ASP A 16 -4.711 -16.431 -1.422 1.00 63.21 H new ATOM 0 HB3 ASP A 16 -3.749 -16.597 -2.878 1.00 63.21 H new ATOM 235 N VAL A 17 -3.373 -13.743 -0.794 1.00 4.44 N ATOM 236 CA VAL A 17 -3.419 -12.273 -0.991 1.00 0.31 C ATOM 237 C VAL A 17 -2.098 -11.628 -0.510 1.00 44.32 C ATOM 238 O VAL A 17 -1.598 -10.664 -1.103 1.00 33.32 O ATOM 239 CB VAL A 17 -4.642 -11.634 -0.231 1.00 55.25 C ATOM 240 CG1 VAL A 17 -4.708 -10.104 -0.452 1.00 22.04 C ATOM 241 CG2 VAL A 17 -5.969 -12.309 -0.651 1.00 41.41 C ATOM 0 H VAL A 17 -3.987 -14.074 -0.050 1.00 4.44 H new ATOM 0 HA VAL A 17 -3.544 -12.080 -2.056 1.00 0.31 H new ATOM 0 HB VAL A 17 -4.494 -11.809 0.835 1.00 55.25 H new ATOM 0 HG11 VAL A 17 -5.563 -9.695 0.086 1.00 22.04 H new ATOM 0 HG12 VAL A 17 -3.792 -9.643 -0.082 1.00 22.04 H new ATOM 0 HG13 VAL A 17 -4.815 -9.894 -1.516 1.00 22.04 H new ATOM 0 HG21 VAL A 17 -6.797 -11.850 -0.112 1.00 41.41 H new ATOM 0 HG22 VAL A 17 -6.119 -12.182 -1.723 1.00 41.41 H new ATOM 0 HG23 VAL A 17 -5.927 -13.372 -0.414 1.00 41.41 H new ATOM 251 N TRP A 18 -1.539 -12.193 0.577 1.00 2.21 N ATOM 252 CA TRP A 18 -0.235 -11.769 1.115 1.00 70.20 C ATOM 253 C TRP A 18 0.908 -12.131 0.137 1.00 73.34 C ATOM 254 O TRP A 18 1.917 -11.456 0.106 1.00 51.02 O ATOM 255 CB TRP A 18 0.026 -12.365 2.538 1.00 34.25 C ATOM 256 CG TRP A 18 1.367 -11.948 3.118 1.00 53.44 C ATOM 257 CD1 TRP A 18 2.448 -12.745 3.387 1.00 11.22 C ATOM 258 CD2 TRP A 18 1.783 -10.605 3.424 1.00 13.12 C ATOM 259 NE1 TRP A 18 3.490 -11.985 3.843 1.00 73.04 N ATOM 260 CE2 TRP A 18 3.107 -10.668 3.872 1.00 23.25 C ATOM 261 CE3 TRP A 18 1.153 -9.359 3.361 1.00 13.51 C ATOM 262 CZ2 TRP A 18 3.818 -9.531 4.251 1.00 41.24 C ATOM 263 CZ3 TRP A 18 1.857 -8.230 3.732 1.00 44.12 C ATOM 264 CH2 TRP A 18 3.180 -8.327 4.172 1.00 42.54 C ATOM 0 H TRP A 18 -1.976 -12.950 1.103 1.00 2.21 H new ATOM 0 HA TRP A 18 -0.259 -10.684 1.221 1.00 70.20 H new ATOM 0 HB2 TRP A 18 -0.770 -12.046 3.211 1.00 34.25 H new ATOM 0 HB3 TRP A 18 -0.018 -13.453 2.484 1.00 34.25 H new ATOM 0 HD1 TRP A 18 2.474 -13.817 3.258 1.00 11.22 H new ATOM 0 HE1 TRP A 18 4.406 -12.341 4.118 1.00 73.04 H new ATOM 0 HE3 TRP A 18 0.129 -9.280 3.027 1.00 13.51 H new ATOM 0 HZ2 TRP A 18 4.839 -9.600 4.596 1.00 41.24 H new ATOM 0 HZ3 TRP A 18 1.380 -7.262 3.682 1.00 44.12 H new ATOM 0 HH2 TRP A 18 3.709 -7.429 4.456 1.00 42.54 H new ATOM 275 N THR A 19 0.739 -13.205 -0.662 1.00 55.32 N ATOM 276 CA THR A 19 1.709 -13.574 -1.734 1.00 62.33 C ATOM 277 C THR A 19 1.799 -12.456 -2.815 1.00 0.33 C ATOM 278 O THR A 19 2.863 -12.208 -3.390 1.00 74.04 O ATOM 279 CB THR A 19 1.310 -14.926 -2.428 1.00 41.44 C ATOM 280 OG1 THR A 19 1.004 -15.918 -1.438 1.00 52.22 O ATOM 281 CG2 THR A 19 2.433 -15.471 -3.340 1.00 11.15 C ATOM 0 H THR A 19 -0.058 -13.837 -0.591 1.00 55.32 H new ATOM 0 HA THR A 19 2.681 -13.694 -1.255 1.00 62.33 H new ATOM 0 HB THR A 19 0.436 -14.717 -3.045 1.00 41.44 H new ATOM 0 HG1 THR A 19 0.306 -15.578 -0.839 1.00 52.22 H new ATOM 0 HG21 THR A 19 2.109 -16.406 -3.797 1.00 11.15 H new ATOM 0 HG22 THR A 19 2.653 -14.743 -4.121 1.00 11.15 H new ATOM 0 HG23 THR A 19 3.330 -15.648 -2.746 1.00 11.15 H new ATOM 289 N LEU A 20 0.662 -11.776 -3.047 1.00 12.43 N ATOM 290 CA LEU A 20 0.533 -10.685 -4.041 1.00 30.33 C ATOM 291 C LEU A 20 1.292 -9.405 -3.586 1.00 30.51 C ATOM 292 O LEU A 20 2.030 -8.796 -4.371 1.00 41.41 O ATOM 293 CB LEU A 20 -0.979 -10.396 -4.260 1.00 73.32 C ATOM 294 CG LEU A 20 -1.360 -9.221 -5.214 1.00 2.01 C ATOM 295 CD1 LEU A 20 -0.822 -9.438 -6.639 1.00 23.53 C ATOM 296 CD2 LEU A 20 -2.890 -9.006 -5.230 1.00 75.44 C ATOM 0 H LEU A 20 -0.206 -11.968 -2.546 1.00 12.43 H new ATOM 0 HA LEU A 20 0.988 -10.996 -4.982 1.00 30.33 H new ATOM 0 HB2 LEU A 20 -1.442 -11.305 -4.645 1.00 73.32 H new ATOM 0 HB3 LEU A 20 -1.427 -10.197 -3.287 1.00 73.32 H new ATOM 0 HG LEU A 20 -0.886 -8.319 -4.825 1.00 2.01 H new ATOM 0 HD11 LEU A 20 -1.110 -8.597 -7.269 1.00 23.53 H new ATOM 0 HD12 LEU A 20 0.265 -9.514 -6.610 1.00 23.53 H new ATOM 0 HD13 LEU A 20 -1.239 -10.358 -7.049 1.00 23.53 H new ATOM 0 HD21 LEU A 20 -3.135 -8.183 -5.901 1.00 75.44 H new ATOM 0 HD22 LEU A 20 -3.382 -9.915 -5.577 1.00 75.44 H new ATOM 0 HD23 LEU A 20 -3.235 -8.769 -4.224 1.00 75.44 H new ATOM 308 N VAL A 21 1.093 -9.020 -2.311 1.00 72.22 N ATOM 309 CA VAL A 21 1.739 -7.820 -1.697 1.00 32.11 C ATOM 310 C VAL A 21 2.987 -8.187 -0.828 1.00 42.33 C ATOM 311 O VAL A 21 3.558 -7.321 -0.159 1.00 44.33 O ATOM 312 CB VAL A 21 0.694 -6.996 -0.837 1.00 44.40 C ATOM 313 CG1 VAL A 21 -0.411 -6.376 -1.735 1.00 64.33 C ATOM 314 CG2 VAL A 21 0.068 -7.869 0.282 1.00 10.22 C ATOM 0 H VAL A 21 0.482 -9.525 -1.669 1.00 72.22 H new ATOM 0 HA VAL A 21 2.091 -7.200 -2.521 1.00 32.11 H new ATOM 0 HB VAL A 21 1.238 -6.180 -0.360 1.00 44.40 H new ATOM 0 HG11 VAL A 21 -1.112 -5.817 -1.115 1.00 64.33 H new ATOM 0 HG12 VAL A 21 0.045 -5.705 -2.462 1.00 64.33 H new ATOM 0 HG13 VAL A 21 -0.943 -7.171 -2.258 1.00 64.33 H new ATOM 0 HG21 VAL A 21 -0.644 -7.273 0.853 1.00 10.22 H new ATOM 0 HG22 VAL A 21 -0.447 -8.719 -0.165 1.00 10.22 H new ATOM 0 HG23 VAL A 21 0.854 -8.229 0.946 1.00 10.22 H new ATOM 324 N GLY A 22 3.415 -9.466 -0.878 1.00 2.32 N ATOM 325 CA GLY A 22 4.556 -9.974 -0.079 1.00 52.03 C ATOM 326 C GLY A 22 5.917 -9.744 -0.728 1.00 54.22 C ATOM 327 O GLY A 22 6.956 -9.999 -0.116 1.00 0.14 O ATOM 0 H GLY A 22 2.983 -10.175 -1.470 1.00 2.32 H new ATOM 0 HA2 GLY A 22 4.545 -9.493 0.899 1.00 52.03 H new ATOM 0 HA3 GLY A 22 4.421 -11.042 0.090 1.00 52.03 H new ATOM 331 N ASP A 23 5.918 -9.315 -1.992 1.00 64.25 N ATOM 332 CA ASP A 23 7.125 -8.815 -2.664 1.00 42.53 C ATOM 333 C ASP A 23 7.038 -7.281 -2.811 1.00 51.14 C ATOM 334 O ASP A 23 6.016 -6.734 -3.241 1.00 5.53 O ATOM 335 CB ASP A 23 7.319 -9.493 -4.042 1.00 72.32 C ATOM 336 CG ASP A 23 7.748 -10.964 -3.928 1.00 12.13 C ATOM 337 OD1 ASP A 23 6.915 -11.814 -3.552 1.00 11.12 O ATOM 338 OD2 ASP A 23 8.930 -11.278 -4.194 1.00 24.13 O ATOM 0 H ASP A 23 5.085 -9.303 -2.580 1.00 64.25 H new ATOM 0 HA ASP A 23 7.994 -9.064 -2.054 1.00 42.53 H new ATOM 0 HB2 ASP A 23 6.388 -9.434 -4.605 1.00 72.32 H new ATOM 0 HB3 ASP A 23 8.070 -8.943 -4.609 1.00 72.32 H new ATOM 343 N PHE A 24 8.131 -6.603 -2.452 1.00 12.24 N ATOM 344 CA PHE A 24 8.238 -5.133 -2.507 1.00 42.54 C ATOM 345 C PHE A 24 8.437 -4.634 -3.969 1.00 63.31 C ATOM 346 O PHE A 24 8.439 -3.439 -4.232 1.00 31.44 O ATOM 347 CB PHE A 24 9.396 -4.682 -1.580 1.00 44.23 C ATOM 348 CG PHE A 24 9.409 -3.191 -1.278 1.00 21.12 C ATOM 349 CD1 PHE A 24 8.397 -2.621 -0.508 1.00 32.21 C ATOM 350 CD2 PHE A 24 10.419 -2.358 -1.759 1.00 62.24 C ATOM 351 CE1 PHE A 24 8.394 -1.273 -0.236 1.00 52.00 C ATOM 352 CE2 PHE A 24 10.409 -1.007 -1.481 1.00 24.44 C ATOM 353 CZ PHE A 24 9.399 -0.465 -0.717 1.00 13.10 C ATOM 0 H PHE A 24 8.978 -7.058 -2.111 1.00 12.24 H new ATOM 0 HA PHE A 24 7.308 -4.686 -2.155 1.00 42.54 H new ATOM 0 HB2 PHE A 24 9.329 -5.231 -0.641 1.00 44.23 H new ATOM 0 HB3 PHE A 24 10.344 -4.956 -2.042 1.00 44.23 H new ATOM 0 HD1 PHE A 24 7.606 -3.245 -0.120 1.00 32.21 H new ATOM 0 HD2 PHE A 24 11.217 -2.775 -2.355 1.00 62.24 H new ATOM 0 HE1 PHE A 24 7.599 -0.846 0.358 1.00 52.00 H new ATOM 0 HE2 PHE A 24 11.195 -0.373 -1.863 1.00 24.44 H new ATOM 0 HZ PHE A 24 9.396 0.592 -0.496 1.00 13.10 H new ATOM 363 N SER A 25 8.605 -5.567 -4.914 1.00 33.50 N ATOM 364 CA SER A 25 8.652 -5.264 -6.365 1.00 5.24 C ATOM 365 C SER A 25 7.247 -5.405 -7.021 1.00 1.11 C ATOM 366 O SER A 25 7.013 -4.928 -8.130 1.00 1.23 O ATOM 367 CB SER A 25 9.637 -6.239 -7.048 1.00 44.22 C ATOM 368 OG SER A 25 9.266 -7.589 -6.805 1.00 40.34 O ATOM 0 H SER A 25 8.713 -6.559 -4.702 1.00 33.50 H new ATOM 0 HA SER A 25 8.982 -4.233 -6.493 1.00 5.24 H new ATOM 0 HB2 SER A 25 9.656 -6.051 -8.121 1.00 44.22 H new ATOM 0 HB3 SER A 25 10.646 -6.063 -6.676 1.00 44.22 H new ATOM 0 HG SER A 25 9.902 -8.188 -7.248 1.00 40.34 H new ATOM 374 N ALA A 26 6.276 -5.969 -6.273 1.00 0.13 N ATOM 375 CA ALA A 26 5.108 -6.687 -6.872 1.00 51.51 C ATOM 376 C ALA A 26 3.846 -5.817 -6.981 1.00 21.40 C ATOM 377 O ALA A 26 2.735 -6.335 -7.087 1.00 13.54 O ATOM 378 CB ALA A 26 4.805 -7.955 -6.060 1.00 24.24 C ATOM 0 H ALA A 26 6.269 -5.947 -5.253 1.00 0.13 H new ATOM 0 HA ALA A 26 5.391 -6.949 -7.892 1.00 51.51 H new ATOM 0 HB1 ALA A 26 3.954 -8.474 -6.500 1.00 24.24 H new ATOM 0 HB2 ALA A 26 5.675 -8.611 -6.071 1.00 24.24 H new ATOM 0 HB3 ALA A 26 4.570 -7.681 -5.031 1.00 24.24 H new ATOM 384 N ILE A 27 4.019 -4.501 -7.001 1.00 74.24 N ATOM 385 CA ILE A 27 2.889 -3.564 -7.112 1.00 0.32 C ATOM 386 C ILE A 27 2.424 -3.410 -8.592 1.00 21.12 C ATOM 387 O ILE A 27 1.296 -2.999 -8.854 1.00 24.31 O ATOM 388 CB ILE A 27 3.259 -2.197 -6.438 1.00 44.23 C ATOM 389 CG1 ILE A 27 2.001 -1.290 -6.282 1.00 1.45 C ATOM 390 CG2 ILE A 27 4.393 -1.494 -7.202 1.00 12.00 C ATOM 391 CD1 ILE A 27 2.141 -0.107 -5.340 1.00 74.22 C ATOM 0 H ILE A 27 4.932 -4.049 -6.942 1.00 74.24 H new ATOM 0 HA ILE A 27 2.033 -3.969 -6.573 1.00 0.32 H new ATOM 0 HB ILE A 27 3.630 -2.401 -5.434 1.00 44.23 H new ATOM 0 HG12 ILE A 27 1.726 -0.913 -7.267 1.00 1.45 H new ATOM 0 HG13 ILE A 27 1.173 -1.909 -5.935 1.00 1.45 H new ATOM 0 HG21 ILE A 27 4.630 -0.549 -6.713 1.00 12.00 H new ATOM 0 HG22 ILE A 27 5.277 -2.131 -7.208 1.00 12.00 H new ATOM 0 HG23 ILE A 27 4.077 -1.303 -8.228 1.00 12.00 H new ATOM 0 HD11 ILE A 27 1.204 0.449 -5.313 1.00 74.22 H new ATOM 0 HD12 ILE A 27 2.379 -0.466 -4.339 1.00 74.22 H new ATOM 0 HD13 ILE A 27 2.940 0.545 -5.692 1.00 74.22 H new ATOM 403 N HIS A 28 3.294 -3.803 -9.554 1.00 73.20 N ATOM 404 CA HIS A 28 2.921 -3.903 -10.996 1.00 13.44 C ATOM 405 C HIS A 28 1.859 -5.012 -11.243 1.00 53.44 C ATOM 406 O HIS A 28 1.142 -4.993 -12.249 1.00 1.43 O ATOM 407 CB HIS A 28 4.182 -4.170 -11.864 1.00 13.35 C ATOM 408 CG HIS A 28 4.864 -5.505 -11.627 1.00 62.13 C ATOM 409 ND1 HIS A 28 5.775 -5.722 -10.615 1.00 75.03 N ATOM 410 CD2 HIS A 28 4.750 -6.695 -12.272 1.00 23.33 C ATOM 411 CE1 HIS A 28 6.184 -6.975 -10.648 1.00 70.23 C ATOM 412 NE2 HIS A 28 5.579 -7.587 -11.642 1.00 44.42 N ATOM 0 H HIS A 28 4.263 -4.058 -9.362 1.00 73.20 H new ATOM 0 HA HIS A 28 2.480 -2.949 -11.286 1.00 13.44 H new ATOM 0 HB2 HIS A 28 3.899 -4.107 -12.915 1.00 13.35 H new ATOM 0 HB3 HIS A 28 4.904 -3.374 -11.680 1.00 13.35 H new ATOM 0 HD1 HIS A 28 6.085 -5.020 -9.943 1.00 75.03 H new ATOM 0 HD2 HIS A 28 4.121 -6.901 -13.125 1.00 23.33 H new ATOM 0 HE1 HIS A 28 6.897 -7.424 -9.972 1.00 70.23 H new ATOM 421 N ARG A 29 1.793 -5.975 -10.306 1.00 72.31 N ATOM 422 CA ARG A 29 0.894 -7.143 -10.373 1.00 22.10 C ATOM 423 C ARG A 29 -0.597 -6.752 -10.206 1.00 60.34 C ATOM 424 O ARG A 29 -1.447 -7.212 -10.965 1.00 40.22 O ATOM 425 CB ARG A 29 1.302 -8.145 -9.265 1.00 4.43 C ATOM 426 CG ARG A 29 2.706 -8.786 -9.427 1.00 51.33 C ATOM 427 CD ARG A 29 2.690 -10.025 -10.341 1.00 51.02 C ATOM 428 NE ARG A 29 1.843 -11.096 -9.775 1.00 51.53 N ATOM 429 CZ ARG A 29 1.343 -12.119 -10.436 1.00 4.33 C ATOM 430 NH1 ARG A 29 1.586 -12.295 -11.697 1.00 1.00 N ATOM 431 NH2 ARG A 29 0.601 -12.973 -9.811 1.00 34.41 N ATOM 0 H ARG A 29 2.372 -5.964 -9.467 1.00 72.31 H new ATOM 0 HA ARG A 29 0.995 -7.594 -11.360 1.00 22.10 H new ATOM 0 HB2 ARG A 29 1.265 -7.632 -8.304 1.00 4.43 H new ATOM 0 HB3 ARG A 29 0.560 -8.942 -9.229 1.00 4.43 H new ATOM 0 HG2 ARG A 29 3.394 -8.046 -9.836 1.00 51.33 H new ATOM 0 HG3 ARG A 29 3.088 -9.068 -8.446 1.00 51.33 H new ATOM 0 HD2 ARG A 29 2.319 -9.748 -11.328 1.00 51.02 H new ATOM 0 HD3 ARG A 29 3.707 -10.394 -10.475 1.00 51.02 H new ATOM 0 HE ARG A 29 1.626 -11.037 -8.780 1.00 51.53 H new ATOM 0 HH11 ARG A 29 2.177 -11.633 -12.200 1.00 1.00 H new ATOM 0 HH12 ARG A 29 1.187 -13.096 -12.186 1.00 1.00 H new ATOM 0 HH21 ARG A 29 0.409 -12.850 -8.817 1.00 34.41 H new ATOM 0 HH22 ARG A 29 0.208 -13.770 -10.312 1.00 34.41 H new ATOM 445 N TRP A 30 -0.886 -5.879 -9.217 1.00 40.22 N ATOM 446 CA TRP A 30 -2.278 -5.577 -8.776 1.00 64.14 C ATOM 447 C TRP A 30 -2.689 -4.113 -9.027 1.00 74.44 C ATOM 448 O TRP A 30 -3.847 -3.847 -9.386 1.00 23.12 O ATOM 449 CB TRP A 30 -2.462 -5.926 -7.273 1.00 23.10 C ATOM 450 CG TRP A 30 -1.466 -5.282 -6.337 1.00 13.42 C ATOM 451 CD1 TRP A 30 -0.175 -5.663 -6.136 1.00 54.54 C ATOM 452 CD2 TRP A 30 -1.685 -4.166 -5.455 1.00 4.53 C ATOM 453 NE1 TRP A 30 0.423 -4.848 -5.220 1.00 21.31 N ATOM 454 CE2 TRP A 30 -0.481 -3.930 -4.779 1.00 72.33 C ATOM 455 CE3 TRP A 30 -2.778 -3.346 -5.178 1.00 74.42 C ATOM 456 CZ2 TRP A 30 -0.333 -2.912 -3.845 1.00 42.14 C ATOM 457 CZ3 TRP A 30 -2.632 -2.334 -4.246 1.00 20.33 C ATOM 458 CH2 TRP A 30 -1.416 -2.127 -3.590 1.00 22.35 C ATOM 0 H TRP A 30 -0.172 -5.364 -8.701 1.00 40.22 H new ATOM 0 HA TRP A 30 -2.933 -6.201 -9.383 1.00 64.14 H new ATOM 0 HB2 TRP A 30 -3.466 -5.631 -6.968 1.00 23.10 H new ATOM 0 HB3 TRP A 30 -2.398 -7.008 -7.157 1.00 23.10 H new ATOM 0 HD1 TRP A 30 0.307 -6.493 -6.631 1.00 54.54 H new ATOM 0 HE1 TRP A 30 1.394 -4.916 -4.914 1.00 21.31 H new ATOM 0 HE3 TRP A 30 -3.721 -3.498 -5.682 1.00 74.42 H new ATOM 0 HZ2 TRP A 30 0.607 -2.749 -3.339 1.00 42.14 H new ATOM 0 HZ3 TRP A 30 -3.472 -1.693 -4.022 1.00 20.33 H new ATOM 0 HH2 TRP A 30 -1.333 -1.329 -2.867 1.00 22.35 H new ATOM 469 N HIS A 31 -1.751 -3.164 -8.837 1.00 55.33 N ATOM 470 CA HIS A 31 -2.064 -1.722 -8.877 1.00 51.11 C ATOM 471 C HIS A 31 -2.067 -1.218 -10.355 1.00 63.23 C ATOM 472 O HIS A 31 -1.004 -1.155 -10.986 1.00 62.34 O ATOM 473 CB HIS A 31 -1.059 -0.935 -8.013 1.00 74.42 C ATOM 474 CG HIS A 31 -1.511 0.452 -7.636 1.00 15.23 C ATOM 475 ND1 HIS A 31 -1.415 1.512 -8.507 1.00 53.05 N ATOM 476 CD2 HIS A 31 -2.051 0.886 -6.475 1.00 40.21 C ATOM 477 CE1 HIS A 31 -1.889 2.554 -7.850 1.00 13.40 C ATOM 478 NE2 HIS A 31 -2.288 2.220 -6.620 1.00 54.30 N ATOM 0 H HIS A 31 -0.769 -3.371 -8.654 1.00 55.33 H new ATOM 0 HA HIS A 31 -3.059 -1.556 -8.463 1.00 51.11 H new ATOM 0 HB2 HIS A 31 -0.862 -1.500 -7.102 1.00 74.42 H new ATOM 0 HB3 HIS A 31 -0.115 -0.862 -8.552 1.00 74.42 H new ATOM 0 HD2 HIS A 31 -2.256 0.289 -5.599 1.00 40.21 H new ATOM 0 HE1 HIS A 31 -1.947 3.553 -8.257 1.00 13.40 H new ATOM 0 HE2 HIS A 31 -2.693 2.844 -5.922 1.00 54.30 H new ATOM 486 N PRO A 32 -3.263 -0.850 -10.932 1.00 24.23 N ATOM 487 CA PRO A 32 -3.435 -0.667 -12.411 1.00 12.21 C ATOM 488 C PRO A 32 -2.780 0.609 -13.032 1.00 74.43 C ATOM 489 O PRO A 32 -2.910 0.838 -14.240 1.00 4.13 O ATOM 490 CB PRO A 32 -4.978 -0.647 -12.565 1.00 25.54 C ATOM 491 CG PRO A 32 -5.475 -0.073 -11.272 1.00 64.35 C ATOM 492 CD PRO A 32 -4.540 -0.602 -10.199 1.00 73.21 C ATOM 0 HA PRO A 32 -2.920 -1.457 -12.957 1.00 12.21 H new ATOM 0 HB2 PRO A 32 -5.285 -0.037 -13.414 1.00 25.54 H new ATOM 0 HB3 PRO A 32 -5.373 -1.649 -12.733 1.00 25.54 H new ATOM 0 HG2 PRO A 32 -5.464 1.017 -11.298 1.00 64.35 H new ATOM 0 HG3 PRO A 32 -6.504 -0.377 -11.079 1.00 64.35 H new ATOM 0 HD2 PRO A 32 -4.406 0.120 -9.394 1.00 73.21 H new ATOM 0 HD3 PRO A 32 -4.926 -1.516 -9.747 1.00 73.21 H new ATOM 500 N GLN A 33 -2.078 1.430 -12.225 1.00 60.42 N ATOM 501 CA GLN A 33 -1.359 2.637 -12.729 1.00 1.25 C ATOM 502 C GLN A 33 0.162 2.395 -12.842 1.00 23.34 C ATOM 503 O GLN A 33 0.855 3.127 -13.564 1.00 12.35 O ATOM 504 CB GLN A 33 -1.625 3.886 -11.827 1.00 32.11 C ATOM 505 CG GLN A 33 -3.078 4.456 -11.883 1.00 53.40 C ATOM 506 CD GLN A 33 -4.028 3.963 -10.779 1.00 3.53 C ATOM 507 OE1 GLN A 33 -3.827 2.759 -10.269 1.00 54.13 O flip ATOM 508 NE2 GLN A 33 -4.944 4.677 -10.380 1.00 24.11 N flip ATOM 0 H GLN A 33 -1.989 1.286 -11.219 1.00 60.42 H new ATOM 0 HA GLN A 33 -1.754 2.834 -13.726 1.00 1.25 H new ATOM 0 HB2 GLN A 33 -1.396 3.623 -10.794 1.00 32.11 H new ATOM 0 HB3 GLN A 33 -0.932 4.676 -12.116 1.00 32.11 H new ATOM 0 HG2 GLN A 33 -3.025 5.544 -11.833 1.00 53.40 H new ATOM 0 HG3 GLN A 33 -3.512 4.203 -12.850 1.00 53.40 H new ATOM 0 HE21 GLN A 33 -5.083 5.602 -10.786 1.00 24.11 H new ATOM 0 HE22 GLN A 33 -5.566 4.345 -9.643 1.00 24.11 H new ATOM 517 N VAL A 34 0.669 1.377 -12.130 1.00 4.12 N ATOM 518 CA VAL A 34 2.117 1.104 -12.043 1.00 33.31 C ATOM 519 C VAL A 34 2.696 0.577 -13.384 1.00 53.23 C ATOM 520 O VAL A 34 2.326 -0.502 -13.861 1.00 70.33 O ATOM 521 CB VAL A 34 2.422 0.090 -10.887 1.00 62.12 C ATOM 522 CG1 VAL A 34 3.935 -0.201 -10.767 1.00 63.23 C ATOM 523 CG2 VAL A 34 1.842 0.609 -9.558 1.00 51.11 C ATOM 0 H VAL A 34 0.094 0.722 -11.601 1.00 4.12 H new ATOM 0 HA VAL A 34 2.607 2.053 -11.824 1.00 33.31 H new ATOM 0 HB VAL A 34 1.937 -0.856 -11.129 1.00 62.12 H new ATOM 0 HG11 VAL A 34 4.106 -0.908 -9.955 1.00 63.23 H new ATOM 0 HG12 VAL A 34 4.299 -0.627 -11.702 1.00 63.23 H new ATOM 0 HG13 VAL A 34 4.469 0.727 -10.559 1.00 63.23 H new ATOM 0 HG21 VAL A 34 2.060 -0.104 -8.763 1.00 51.11 H new ATOM 0 HG22 VAL A 34 2.292 1.572 -9.316 1.00 51.11 H new ATOM 0 HG23 VAL A 34 0.763 0.727 -9.653 1.00 51.11 H new ATOM 533 N SER A 35 3.652 1.343 -13.946 1.00 43.35 N ATOM 534 CA SER A 35 4.322 1.044 -15.242 1.00 74.40 C ATOM 535 C SER A 35 5.577 0.144 -15.040 1.00 2.54 C ATOM 536 O SER A 35 6.595 0.300 -15.731 1.00 41.13 O ATOM 537 CB SER A 35 4.714 2.388 -15.905 1.00 62.22 C ATOM 538 OG SER A 35 5.239 2.212 -17.213 1.00 11.20 O ATOM 0 H SER A 35 3.990 2.201 -13.511 1.00 43.35 H new ATOM 0 HA SER A 35 3.637 0.492 -15.885 1.00 74.40 H new ATOM 0 HB2 SER A 35 3.839 3.036 -15.952 1.00 62.22 H new ATOM 0 HB3 SER A 35 5.453 2.894 -15.284 1.00 62.22 H new ATOM 0 HG SER A 35 5.981 1.572 -17.184 1.00 11.20 H new ATOM 544 N ALA A 36 5.446 -0.812 -14.097 1.00 0.12 N ATOM 545 CA ALA A 36 6.516 -1.749 -13.671 1.00 34.32 C ATOM 546 C ALA A 36 7.703 -1.008 -12.979 1.00 64.31 C ATOM 547 O ALA A 36 8.467 -0.290 -13.642 1.00 53.30 O ATOM 548 CB ALA A 36 7.002 -2.650 -14.833 1.00 30.33 C ATOM 0 H ALA A 36 4.571 -0.961 -13.595 1.00 0.12 H new ATOM 0 HA ALA A 36 6.072 -2.407 -12.925 1.00 34.32 H new ATOM 0 HB1 ALA A 36 7.784 -3.318 -14.473 1.00 30.33 H new ATOM 0 HB2 ALA A 36 6.166 -3.240 -15.210 1.00 30.33 H new ATOM 0 HB3 ALA A 36 7.398 -2.027 -15.635 1.00 30.33 H new ATOM 554 N PRO A 37 7.882 -1.166 -11.625 1.00 14.04 N ATOM 555 CA PRO A 37 8.964 -0.494 -10.885 1.00 25.21 C ATOM 556 C PRO A 37 10.306 -1.272 -10.934 1.00 24.42 C ATOM 557 O PRO A 37 10.336 -2.477 -11.216 1.00 12.42 O ATOM 558 CB PRO A 37 8.383 -0.421 -9.453 1.00 43.41 C ATOM 559 CG PRO A 37 7.573 -1.680 -9.315 1.00 71.43 C ATOM 560 CD PRO A 37 7.068 -2.021 -10.716 1.00 52.42 C ATOM 0 HA PRO A 37 9.226 0.478 -11.303 1.00 25.21 H new ATOM 0 HB2 PRO A 37 9.174 -0.373 -8.705 1.00 43.41 H new ATOM 0 HB3 PRO A 37 7.764 0.466 -9.320 1.00 43.41 H new ATOM 0 HG2 PRO A 37 8.180 -2.491 -8.913 1.00 71.43 H new ATOM 0 HG3 PRO A 37 6.741 -1.533 -8.627 1.00 71.43 H new ATOM 0 HD2 PRO A 37 7.203 -3.079 -10.940 1.00 52.42 H new ATOM 0 HD3 PRO A 37 6.004 -1.807 -10.817 1.00 52.42 H new ATOM 568 N THR A 38 11.408 -0.568 -10.648 1.00 61.20 N ATOM 569 CA THR A 38 12.752 -1.181 -10.568 1.00 31.43 C ATOM 570 C THR A 38 13.106 -1.430 -9.098 1.00 50.15 C ATOM 571 O THR A 38 13.133 -0.489 -8.308 1.00 23.14 O ATOM 572 CB THR A 38 13.849 -0.286 -11.236 1.00 74.44 C ATOM 573 OG1 THR A 38 13.594 -0.196 -12.644 1.00 5.23 O ATOM 574 CG2 THR A 38 15.283 -0.821 -11.016 1.00 41.34 C ATOM 0 H THR A 38 11.401 0.436 -10.466 1.00 61.20 H new ATOM 0 HA THR A 38 12.725 -2.123 -11.115 1.00 31.43 H new ATOM 0 HB THR A 38 13.793 0.694 -10.762 1.00 74.44 H new ATOM 0 HG1 THR A 38 14.278 0.365 -13.065 1.00 5.23 H new ATOM 0 HG21 THR A 38 15.998 -0.157 -11.503 1.00 41.34 H new ATOM 0 HG22 THR A 38 15.496 -0.863 -9.948 1.00 41.34 H new ATOM 0 HG23 THR A 38 15.368 -1.821 -11.442 1.00 41.34 H new ATOM 582 N LEU A 39 13.399 -2.692 -8.752 1.00 23.42 N ATOM 583 CA LEU A 39 13.751 -3.086 -7.378 1.00 32.43 C ATOM 584 C LEU A 39 15.285 -2.904 -7.207 1.00 11.14 C ATOM 585 O LEU A 39 16.070 -3.473 -7.968 1.00 32.21 O ATOM 586 CB LEU A 39 13.272 -4.556 -7.113 1.00 15.30 C ATOM 587 CG LEU A 39 13.099 -5.012 -5.619 1.00 32.14 C ATOM 588 CD1 LEU A 39 14.445 -5.193 -4.900 1.00 32.44 C ATOM 589 CD2 LEU A 39 12.173 -4.047 -4.842 1.00 11.52 C ATOM 0 H LEU A 39 13.399 -3.468 -9.414 1.00 23.42 H new ATOM 0 HA LEU A 39 13.251 -2.461 -6.638 1.00 32.43 H new ATOM 0 HB2 LEU A 39 12.316 -4.693 -7.618 1.00 15.30 H new ATOM 0 HB3 LEU A 39 13.983 -5.231 -7.589 1.00 15.30 H new ATOM 0 HG LEU A 39 12.622 -5.992 -5.643 1.00 32.14 H new ATOM 0 HD11 LEU A 39 14.269 -5.508 -3.872 1.00 32.44 H new ATOM 0 HD12 LEU A 39 15.034 -5.951 -5.416 1.00 32.44 H new ATOM 0 HD13 LEU A 39 14.988 -4.248 -4.902 1.00 32.44 H new ATOM 0 HD21 LEU A 39 12.073 -4.389 -3.812 1.00 11.52 H new ATOM 0 HD22 LEU A 39 12.602 -3.045 -4.851 1.00 11.52 H new ATOM 0 HD23 LEU A 39 11.191 -4.026 -5.314 1.00 11.52 H new ATOM 601 N ARG A 40 15.695 -2.087 -6.216 1.00 51.44 N ATOM 602 CA ARG A 40 17.117 -1.728 -5.978 1.00 43.21 C ATOM 603 C ARG A 40 17.648 -2.368 -4.671 1.00 30.51 C ATOM 604 O ARG A 40 17.088 -2.133 -3.599 1.00 42.34 O ATOM 605 CB ARG A 40 17.275 -0.182 -5.910 1.00 13.13 C ATOM 606 CG ARG A 40 16.892 0.569 -7.209 1.00 30.01 C ATOM 607 CD ARG A 40 17.160 2.086 -7.110 1.00 31.23 C ATOM 608 NE ARG A 40 16.905 2.799 -8.384 1.00 63.32 N ATOM 609 CZ ARG A 40 17.025 4.104 -8.566 1.00 13.30 C ATOM 610 NH1 ARG A 40 17.450 4.876 -7.625 1.00 24.32 N ATOM 611 NH2 ARG A 40 16.724 4.624 -9.710 1.00 60.14 N ATOM 0 H ARG A 40 15.051 -1.654 -5.554 1.00 51.44 H new ATOM 0 HA ARG A 40 17.704 -2.116 -6.810 1.00 43.21 H new ATOM 0 HB2 ARG A 40 16.660 0.196 -5.094 1.00 13.13 H new ATOM 0 HB3 ARG A 40 18.311 0.053 -5.664 1.00 13.13 H new ATOM 0 HG2 ARG A 40 17.457 0.156 -8.045 1.00 30.01 H new ATOM 0 HG3 ARG A 40 15.837 0.402 -7.425 1.00 30.01 H new ATOM 0 HD2 ARG A 40 16.530 2.511 -6.329 1.00 31.23 H new ATOM 0 HD3 ARG A 40 18.195 2.249 -6.809 1.00 31.23 H new ATOM 0 HE ARG A 40 16.614 2.239 -9.185 1.00 63.32 H new ATOM 0 HH11 ARG A 40 17.702 4.483 -6.718 1.00 24.32 H new ATOM 0 HH12 ARG A 40 17.535 5.879 -7.788 1.00 24.32 H new ATOM 0 HH21 ARG A 40 16.395 4.029 -10.470 1.00 60.14 H new ATOM 0 HH22 ARG A 40 16.816 5.630 -9.853 1.00 60.14 H new ATOM 625 N GLY A 41 18.776 -3.103 -4.792 1.00 53.33 N ATOM 626 CA GLY A 41 19.451 -3.818 -3.681 1.00 11.51 C ATOM 627 C GLY A 41 18.578 -4.653 -2.715 1.00 30.40 C ATOM 628 O GLY A 41 17.366 -4.816 -2.910 1.00 1.23 O ATOM 0 H GLY A 41 19.255 -3.219 -5.685 1.00 53.33 H new ATOM 0 HA2 GLY A 41 20.196 -4.484 -4.117 1.00 11.51 H new ATOM 0 HA3 GLY A 41 19.991 -3.079 -3.088 1.00 11.51 H new ATOM 632 N ALA A 42 19.253 -5.219 -1.686 1.00 63.12 N ATOM 633 CA ALA A 42 18.646 -6.075 -0.635 1.00 74.40 C ATOM 634 C ALA A 42 17.874 -7.298 -1.218 1.00 34.12 C ATOM 635 O ALA A 42 18.485 -8.334 -1.516 1.00 73.40 O ATOM 636 CB ALA A 42 17.777 -5.233 0.328 1.00 2.11 C ATOM 0 H ALA A 42 20.257 -5.091 -1.560 1.00 63.12 H new ATOM 0 HA ALA A 42 19.465 -6.500 -0.055 1.00 74.40 H new ATOM 0 HB1 ALA A 42 17.343 -5.882 1.089 1.00 2.11 H new ATOM 0 HB2 ALA A 42 18.396 -4.475 0.808 1.00 2.11 H new ATOM 0 HB3 ALA A 42 16.978 -4.748 -0.233 1.00 2.11 H new ATOM 642 N SER A 43 16.550 -7.120 -1.430 1.00 43.44 N ATOM 643 CA SER A 43 15.583 -8.171 -1.851 1.00 43.51 C ATOM 644 C SER A 43 14.149 -7.643 -1.627 1.00 43.22 C ATOM 645 O SER A 43 13.922 -6.908 -0.662 1.00 41.20 O ATOM 646 CB SER A 43 15.751 -9.499 -1.050 1.00 42.14 C ATOM 647 OG SER A 43 14.702 -10.421 -1.314 1.00 24.01 O ATOM 0 H SER A 43 16.105 -6.210 -1.310 1.00 43.44 H new ATOM 0 HA SER A 43 15.774 -8.390 -2.901 1.00 43.51 H new ATOM 0 HB2 SER A 43 16.707 -9.956 -1.304 1.00 42.14 H new ATOM 0 HB3 SER A 43 15.778 -9.277 0.017 1.00 42.14 H new ATOM 0 HG SER A 43 14.847 -11.239 -0.794 1.00 24.01 H new ATOM 653 N PRO A 44 13.134 -8.025 -2.472 1.00 71.13 N ATOM 654 CA PRO A 44 11.709 -7.635 -2.244 1.00 63.11 C ATOM 655 C PRO A 44 11.096 -8.204 -0.920 1.00 20.51 C ATOM 656 O PRO A 44 9.948 -7.905 -0.585 1.00 24.22 O ATOM 657 CB PRO A 44 10.986 -8.196 -3.502 1.00 43.43 C ATOM 658 CG PRO A 44 11.873 -9.303 -3.980 1.00 50.41 C ATOM 659 CD PRO A 44 13.279 -8.825 -3.720 1.00 21.30 C ATOM 0 HA PRO A 44 11.603 -6.558 -2.117 1.00 63.11 H new ATOM 0 HB2 PRO A 44 9.990 -8.563 -3.257 1.00 43.43 H new ATOM 0 HB3 PRO A 44 10.863 -7.428 -4.265 1.00 43.43 H new ATOM 0 HG2 PRO A 44 11.668 -10.231 -3.446 1.00 50.41 H new ATOM 0 HG3 PRO A 44 11.715 -9.504 -5.040 1.00 50.41 H new ATOM 0 HD2 PRO A 44 13.971 -9.657 -3.588 1.00 21.30 H new ATOM 0 HD3 PRO A 44 13.659 -8.222 -4.544 1.00 21.30 H new ATOM 667 N HIS A 45 11.864 -9.042 -0.187 1.00 5.12 N ATOM 668 CA HIS A 45 11.476 -9.557 1.156 1.00 11.51 C ATOM 669 C HIS A 45 12.399 -9.008 2.284 1.00 52.43 C ATOM 670 O HIS A 45 12.103 -9.183 3.472 1.00 22.00 O ATOM 671 CB HIS A 45 11.500 -11.105 1.145 1.00 41.05 C ATOM 672 CG HIS A 45 10.518 -11.718 0.178 1.00 41.22 C ATOM 673 ND1 HIS A 45 9.279 -12.185 0.557 1.00 1.14 N ATOM 674 CD2 HIS A 45 10.592 -11.919 -1.156 1.00 61.40 C ATOM 675 CE1 HIS A 45 8.639 -12.642 -0.489 1.00 62.31 C ATOM 676 NE2 HIS A 45 9.406 -12.495 -1.541 1.00 2.25 N ATOM 0 H HIS A 45 12.771 -9.383 -0.506 1.00 5.12 H new ATOM 0 HA HIS A 45 10.466 -9.206 1.370 1.00 11.51 H new ATOM 0 HB2 HIS A 45 12.505 -11.443 0.892 1.00 41.05 H new ATOM 0 HB3 HIS A 45 11.284 -11.470 2.149 1.00 41.05 H new ATOM 0 HD2 HIS A 45 11.425 -11.673 -1.798 1.00 61.40 H new ATOM 0 HE1 HIS A 45 7.647 -13.068 -0.486 1.00 62.31 H new ATOM 0 HE2 HIS A 45 9.161 -12.765 -2.494 1.00 2.25 H new ATOM 685 N THR A 46 13.514 -8.340 1.905 1.00 52.14 N ATOM 686 CA THR A 46 14.539 -7.822 2.865 1.00 34.31 C ATOM 687 C THR A 46 14.503 -6.268 2.981 1.00 21.31 C ATOM 688 O THR A 46 14.575 -5.577 1.956 1.00 21.23 O ATOM 689 CB THR A 46 15.987 -8.276 2.449 1.00 0.44 C ATOM 690 OG1 THR A 46 16.058 -9.712 2.437 1.00 12.32 O ATOM 691 CG2 THR A 46 17.089 -7.728 3.386 1.00 52.33 C ATOM 0 H THR A 46 13.735 -8.141 0.929 1.00 52.14 H new ATOM 0 HA THR A 46 14.290 -8.246 3.838 1.00 34.31 H new ATOM 0 HB THR A 46 16.170 -7.866 1.456 1.00 0.44 H new ATOM 0 HG1 THR A 46 16.960 -9.993 2.176 1.00 12.32 H new ATOM 0 HG21 THR A 46 18.064 -8.077 3.045 1.00 52.33 H new ATOM 0 HG22 THR A 46 17.069 -6.638 3.373 1.00 52.33 H new ATOM 0 HG23 THR A 46 16.912 -8.082 4.402 1.00 52.33 H new ATOM 699 N PRO A 47 14.364 -5.702 4.242 1.00 32.32 N ATOM 700 CA PRO A 47 14.483 -4.235 4.514 1.00 73.41 C ATOM 701 C PRO A 47 15.738 -3.573 3.882 1.00 4.54 C ATOM 702 O PRO A 47 16.872 -4.006 4.121 1.00 22.43 O ATOM 703 CB PRO A 47 14.539 -4.177 6.064 1.00 54.12 C ATOM 704 CG PRO A 47 13.725 -5.354 6.495 1.00 51.31 C ATOM 705 CD PRO A 47 14.031 -6.447 5.490 1.00 3.32 C ATOM 0 HA PRO A 47 13.658 -3.677 4.071 1.00 73.41 H new ATOM 0 HB2 PRO A 47 15.564 -4.244 6.430 1.00 54.12 H new ATOM 0 HB3 PRO A 47 14.125 -3.243 6.445 1.00 54.12 H new ATOM 0 HG2 PRO A 47 13.989 -5.665 7.506 1.00 51.31 H new ATOM 0 HG3 PRO A 47 12.662 -5.114 6.503 1.00 51.31 H new ATOM 0 HD2 PRO A 47 14.863 -7.070 5.818 1.00 3.32 H new ATOM 0 HD3 PRO A 47 13.176 -7.108 5.345 1.00 3.32 H new ATOM 713 N GLY A 48 15.509 -2.532 3.061 1.00 15.40 N ATOM 714 CA GLY A 48 16.578 -1.834 2.324 1.00 32.14 C ATOM 715 C GLY A 48 16.262 -1.689 0.836 1.00 24.31 C ATOM 716 O GLY A 48 16.730 -0.749 0.186 1.00 4.40 O ATOM 0 H GLY A 48 14.578 -2.151 2.890 1.00 15.40 H new ATOM 0 HA2 GLY A 48 16.729 -0.846 2.758 1.00 32.14 H new ATOM 0 HA3 GLY A 48 17.514 -2.381 2.442 1.00 32.14 H new ATOM 720 N ALA A 49 15.458 -2.635 0.302 1.00 72.14 N ATOM 721 CA ALA A 49 15.048 -2.655 -1.125 1.00 53.44 C ATOM 722 C ALA A 49 14.213 -1.416 -1.519 1.00 5.33 C ATOM 723 O ALA A 49 13.469 -0.891 -0.704 1.00 64.55 O ATOM 724 CB ALA A 49 14.250 -3.926 -1.414 1.00 73.51 C ATOM 0 H ALA A 49 15.074 -3.407 0.846 1.00 72.14 H new ATOM 0 HA ALA A 49 15.959 -2.636 -1.724 1.00 53.44 H new ATOM 0 HB1 ALA A 49 13.951 -3.937 -2.462 1.00 73.51 H new ATOM 0 HB2 ALA A 49 14.868 -4.799 -1.204 1.00 73.51 H new ATOM 0 HB3 ALA A 49 13.362 -3.949 -0.783 1.00 73.51 H new ATOM 730 N GLU A 50 14.335 -0.953 -2.780 1.00 21.45 N ATOM 731 CA GLU A 50 13.622 0.262 -3.267 1.00 12.15 C ATOM 732 C GLU A 50 12.887 -0.005 -4.600 1.00 34.15 C ATOM 733 O GLU A 50 13.528 -0.354 -5.585 1.00 10.41 O ATOM 734 CB GLU A 50 14.629 1.432 -3.434 1.00 72.34 C ATOM 735 CG GLU A 50 15.349 1.839 -2.135 1.00 4.13 C ATOM 736 CD GLU A 50 16.385 2.948 -2.332 1.00 23.33 C ATOM 737 OE1 GLU A 50 15.989 4.094 -2.609 1.00 14.33 O ATOM 738 OE2 GLU A 50 17.600 2.689 -2.187 1.00 32.53 O ATOM 0 H GLU A 50 14.920 -1.398 -3.487 1.00 21.45 H new ATOM 0 HA GLU A 50 12.871 0.532 -2.525 1.00 12.15 H new ATOM 0 HB2 GLU A 50 15.376 1.150 -4.176 1.00 72.34 H new ATOM 0 HB3 GLU A 50 14.099 2.299 -3.829 1.00 72.34 H new ATOM 0 HG2 GLU A 50 14.608 2.170 -1.407 1.00 4.13 H new ATOM 0 HG3 GLU A 50 15.842 0.963 -1.713 1.00 4.13 H new ATOM 745 N ARG A 51 11.547 0.178 -4.636 1.00 4.21 N ATOM 746 CA ARG A 51 10.751 0.039 -5.884 1.00 52.21 C ATOM 747 C ARG A 51 10.631 1.438 -6.555 1.00 40.32 C ATOM 748 O ARG A 51 10.174 2.412 -5.933 1.00 13.10 O ATOM 749 CB ARG A 51 9.350 -0.613 -5.589 1.00 34.00 C ATOM 750 CG ARG A 51 8.298 0.312 -4.908 1.00 74.15 C ATOM 751 CD ARG A 51 7.517 -0.339 -3.754 1.00 53.54 C ATOM 752 NE ARG A 51 6.628 -1.445 -4.131 1.00 43.12 N ATOM 753 CZ ARG A 51 5.495 -1.721 -3.508 1.00 3.23 C ATOM 754 NH1 ARG A 51 4.918 -0.824 -2.753 1.00 33.31 N ATOM 755 NH2 ARG A 51 4.912 -2.864 -3.693 1.00 23.11 N ATOM 0 H ARG A 51 10.991 0.422 -3.816 1.00 4.21 H new ATOM 0 HA ARG A 51 11.254 -0.634 -6.578 1.00 52.21 H new ATOM 0 HB2 ARG A 51 8.933 -0.973 -6.530 1.00 34.00 H new ATOM 0 HB3 ARG A 51 9.504 -1.485 -4.954 1.00 34.00 H new ATOM 0 HG2 ARG A 51 8.806 1.199 -4.529 1.00 74.15 H new ATOM 0 HG3 ARG A 51 7.588 0.649 -5.663 1.00 74.15 H new ATOM 0 HD2 ARG A 51 8.232 -0.707 -3.018 1.00 53.54 H new ATOM 0 HD3 ARG A 51 6.921 0.431 -3.263 1.00 53.54 H new ATOM 0 HE ARG A 51 6.900 -2.034 -4.918 1.00 43.12 H new ATOM 0 HH11 ARG A 51 5.342 0.097 -2.641 1.00 33.31 H new ATOM 0 HH12 ARG A 51 4.044 -1.045 -2.276 1.00 33.31 H new ATOM 0 HH21 ARG A 51 5.327 -3.553 -4.320 1.00 23.11 H new ATOM 0 HH22 ARG A 51 4.038 -3.075 -3.211 1.00 23.11 H new ATOM 769 N VAL A 52 11.118 1.562 -7.804 1.00 5.11 N ATOM 770 CA VAL A 52 11.176 2.858 -8.521 1.00 51.11 C ATOM 771 C VAL A 52 10.205 2.860 -9.722 1.00 54.33 C ATOM 772 O VAL A 52 10.510 2.324 -10.794 1.00 62.43 O ATOM 773 CB VAL A 52 12.646 3.182 -8.978 1.00 61.32 C ATOM 774 CG1 VAL A 52 12.740 4.579 -9.654 1.00 35.02 C ATOM 775 CG2 VAL A 52 13.617 3.076 -7.777 1.00 20.44 C ATOM 0 H VAL A 52 11.480 0.776 -8.344 1.00 5.11 H new ATOM 0 HA VAL A 52 10.862 3.643 -7.833 1.00 51.11 H new ATOM 0 HB VAL A 52 12.938 2.444 -9.725 1.00 61.32 H new ATOM 0 HG11 VAL A 52 13.770 4.768 -9.956 1.00 35.02 H new ATOM 0 HG12 VAL A 52 12.094 4.603 -10.532 1.00 35.02 H new ATOM 0 HG13 VAL A 52 12.422 5.347 -8.949 1.00 35.02 H new ATOM 0 HG21 VAL A 52 14.631 3.303 -8.108 1.00 20.44 H new ATOM 0 HG22 VAL A 52 13.320 3.786 -7.005 1.00 20.44 H new ATOM 0 HG23 VAL A 52 13.585 2.065 -7.372 1.00 20.44 H new ATOM 785 N PHE A 53 9.031 3.458 -9.493 1.00 51.34 N ATOM 786 CA PHE A 53 7.929 3.568 -10.469 1.00 2.00 C ATOM 787 C PHE A 53 8.360 4.322 -11.739 1.00 3.13 C ATOM 788 O PHE A 53 8.798 5.468 -11.656 1.00 14.14 O ATOM 789 CB PHE A 53 6.739 4.295 -9.797 1.00 12.35 C ATOM 790 CG PHE A 53 6.146 3.520 -8.628 1.00 50.13 C ATOM 791 CD1 PHE A 53 6.650 3.650 -7.332 1.00 73.22 C ATOM 792 CD2 PHE A 53 5.093 2.645 -8.831 1.00 74.15 C ATOM 793 CE1 PHE A 53 6.111 2.927 -6.292 1.00 55.01 C ATOM 794 CE2 PHE A 53 4.560 1.930 -7.788 1.00 74.41 C ATOM 795 CZ PHE A 53 5.063 2.065 -6.523 1.00 31.34 C ATOM 0 H PHE A 53 8.810 3.894 -8.598 1.00 51.34 H new ATOM 0 HA PHE A 53 7.636 2.564 -10.775 1.00 2.00 H new ATOM 0 HB2 PHE A 53 7.070 5.272 -9.446 1.00 12.35 H new ATOM 0 HB3 PHE A 53 5.961 4.470 -10.541 1.00 12.35 H new ATOM 0 HD1 PHE A 53 7.472 4.325 -7.144 1.00 73.22 H new ATOM 0 HD2 PHE A 53 4.685 2.523 -9.824 1.00 74.15 H new ATOM 0 HE1 PHE A 53 6.510 3.036 -5.295 1.00 55.01 H new ATOM 0 HE2 PHE A 53 3.736 1.255 -7.967 1.00 74.41 H new ATOM 0 HZ PHE A 53 4.639 1.497 -5.708 1.00 31.34 H new ATOM 805 N GLY A 54 8.243 3.662 -12.908 1.00 73.35 N ATOM 806 CA GLY A 54 8.653 4.254 -14.194 1.00 1.42 C ATOM 807 C GLY A 54 10.152 4.096 -14.472 1.00 54.34 C ATOM 808 O GLY A 54 10.535 3.658 -15.563 1.00 5.03 O ATOM 0 H GLY A 54 7.867 2.717 -12.987 1.00 73.35 H new ATOM 0 HA2 GLY A 54 8.088 3.786 -15.000 1.00 1.42 H new ATOM 0 HA3 GLY A 54 8.397 5.314 -14.198 1.00 1.42 H new ATOM 812 N ALA A 55 10.996 4.499 -13.487 1.00 74.45 N ATOM 813 CA ALA A 55 12.476 4.295 -13.509 1.00 63.13 C ATOM 814 C ALA A 55 13.157 4.913 -14.763 1.00 2.51 C ATOM 815 O ALA A 55 14.180 4.418 -15.253 1.00 63.42 O ATOM 816 CB ALA A 55 12.792 2.796 -13.363 1.00 50.41 C ATOM 0 H ALA A 55 10.670 4.978 -12.648 1.00 74.45 H new ATOM 0 HA ALA A 55 12.899 4.831 -12.660 1.00 63.13 H new ATOM 0 HB1 ALA A 55 13.872 2.649 -13.379 1.00 50.41 H new ATOM 0 HB2 ALA A 55 12.390 2.430 -12.418 1.00 50.41 H new ATOM 0 HB3 ALA A 55 12.338 2.247 -14.188 1.00 50.41 H new ATOM 822 N GLY A 56 12.594 6.037 -15.214 1.00 23.12 N ATOM 823 CA GLY A 56 12.992 6.684 -16.468 1.00 14.41 C ATOM 824 C GLY A 56 11.997 7.764 -16.888 1.00 70.34 C ATOM 825 O GLY A 56 12.344 8.679 -17.639 1.00 13.35 O ATOM 0 H GLY A 56 11.848 6.525 -14.719 1.00 23.12 H new ATOM 0 HA2 GLY A 56 13.981 7.126 -16.351 1.00 14.41 H new ATOM 0 HA3 GLY A 56 13.069 5.934 -17.256 1.00 14.41 H new ATOM 829 N THR A 57 10.740 7.625 -16.423 1.00 2.51 N ATOM 830 CA THR A 57 9.695 8.662 -16.566 1.00 72.11 C ATOM 831 C THR A 57 10.086 9.950 -15.809 1.00 43.20 C ATOM 832 O THR A 57 10.634 9.878 -14.702 1.00 35.21 O ATOM 833 CB THR A 57 8.314 8.150 -16.025 1.00 64.43 C ATOM 834 OG1 THR A 57 8.439 7.743 -14.644 1.00 53.14 O ATOM 835 CG2 THR A 57 7.774 6.964 -16.851 1.00 1.31 C ATOM 0 H THR A 57 10.418 6.789 -15.936 1.00 2.51 H new ATOM 0 HA THR A 57 9.604 8.883 -17.630 1.00 72.11 H new ATOM 0 HB THR A 57 7.609 8.977 -16.111 1.00 64.43 H new ATOM 0 HG1 THR A 57 7.571 7.427 -14.316 1.00 53.14 H new ATOM 0 HG21 THR A 57 6.817 6.642 -16.442 1.00 1.31 H new ATOM 0 HG22 THR A 57 7.640 7.274 -17.887 1.00 1.31 H new ATOM 0 HG23 THR A 57 8.484 6.138 -16.808 1.00 1.31 H new ATOM 843 N GLU A 58 9.780 11.116 -16.412 1.00 33.24 N ATOM 844 CA GLU A 58 10.082 12.445 -15.821 1.00 12.53 C ATOM 845 C GLU A 58 9.432 12.626 -14.421 1.00 52.11 C ATOM 846 O GLU A 58 9.977 13.328 -13.569 1.00 62.12 O ATOM 847 CB GLU A 58 9.627 13.573 -16.788 1.00 22.45 C ATOM 848 CG GLU A 58 10.330 13.551 -18.163 1.00 51.21 C ATOM 849 CD GLU A 58 9.886 14.692 -19.099 1.00 41.30 C ATOM 850 OE1 GLU A 58 10.478 15.793 -19.043 1.00 3.33 O ATOM 851 OE2 GLU A 58 8.939 14.496 -19.890 1.00 44.04 O ATOM 0 H GLU A 58 9.318 11.168 -17.320 1.00 33.24 H new ATOM 0 HA GLU A 58 11.161 12.507 -15.680 1.00 12.53 H new ATOM 0 HB2 GLU A 58 8.551 13.492 -16.942 1.00 22.45 H new ATOM 0 HB3 GLU A 58 9.810 14.538 -16.315 1.00 22.45 H new ATOM 0 HG2 GLU A 58 11.408 13.614 -18.012 1.00 51.21 H new ATOM 0 HG3 GLU A 58 10.131 12.595 -18.648 1.00 51.21 H new ATOM 858 N GLU A 59 8.267 11.984 -14.201 1.00 54.04 N ATOM 859 CA GLU A 59 7.612 11.918 -12.874 1.00 71.40 C ATOM 860 C GLU A 59 7.671 10.469 -12.312 1.00 0.22 C ATOM 861 O GLU A 59 6.650 9.771 -12.234 1.00 13.32 O ATOM 862 CB GLU A 59 6.141 12.422 -12.969 1.00 22.43 C ATOM 863 CG GLU A 59 5.983 13.874 -13.464 1.00 21.42 C ATOM 864 CD GLU A 59 4.519 14.345 -13.478 1.00 35.14 C ATOM 865 OE1 GLU A 59 3.774 13.980 -14.415 1.00 30.54 O ATOM 866 OE2 GLU A 59 4.099 15.066 -12.542 1.00 54.34 O ATOM 0 H GLU A 59 7.753 11.497 -14.935 1.00 54.04 H new ATOM 0 HA GLU A 59 8.149 12.570 -12.185 1.00 71.40 H new ATOM 0 HB2 GLU A 59 5.589 11.763 -13.639 1.00 22.43 H new ATOM 0 HB3 GLU A 59 5.679 12.336 -11.986 1.00 22.43 H new ATOM 0 HG2 GLU A 59 6.566 14.536 -12.824 1.00 21.42 H new ATOM 0 HG3 GLU A 59 6.396 13.957 -14.469 1.00 21.42 H new ATOM 873 N GLU A 60 8.894 9.997 -11.993 1.00 31.03 N ATOM 874 CA GLU A 60 9.091 8.709 -11.281 1.00 10.43 C ATOM 875 C GLU A 60 8.854 8.852 -9.758 1.00 41.43 C ATOM 876 O GLU A 60 8.840 9.957 -9.216 1.00 52.20 O ATOM 877 CB GLU A 60 10.512 8.109 -11.542 1.00 44.10 C ATOM 878 CG GLU A 60 11.721 8.903 -10.975 1.00 0.40 C ATOM 879 CD GLU A 60 12.165 10.084 -11.859 1.00 74.45 C ATOM 880 OE1 GLU A 60 13.000 9.865 -12.760 1.00 74.22 O ATOM 881 OE2 GLU A 60 11.669 11.217 -11.675 1.00 74.44 O ATOM 0 H GLU A 60 9.762 10.485 -12.215 1.00 31.03 H new ATOM 0 HA GLU A 60 8.348 8.021 -11.684 1.00 10.43 H new ATOM 0 HB2 GLU A 60 10.539 7.103 -11.122 1.00 44.10 H new ATOM 0 HB3 GLU A 60 10.646 8.009 -12.619 1.00 44.10 H new ATOM 0 HG2 GLU A 60 11.463 9.280 -9.985 1.00 0.40 H new ATOM 0 HG3 GLU A 60 12.562 8.222 -10.847 1.00 0.40 H new ATOM 888 N LEU A 61 8.683 7.710 -9.081 1.00 34.41 N ATOM 889 CA LEU A 61 8.483 7.646 -7.614 1.00 51.34 C ATOM 890 C LEU A 61 9.384 6.545 -7.012 1.00 22.40 C ATOM 891 O LEU A 61 9.420 5.430 -7.520 1.00 31.01 O ATOM 892 CB LEU A 61 6.982 7.370 -7.298 1.00 41.31 C ATOM 893 CG LEU A 61 6.615 7.159 -5.791 1.00 43.33 C ATOM 894 CD1 LEU A 61 6.982 8.391 -4.941 1.00 54.14 C ATOM 895 CD2 LEU A 61 5.124 6.780 -5.623 1.00 62.22 C ATOM 0 H LEU A 61 8.678 6.795 -9.531 1.00 34.41 H new ATOM 0 HA LEU A 61 8.759 8.601 -7.166 1.00 51.34 H new ATOM 0 HB2 LEU A 61 6.394 8.205 -7.679 1.00 41.31 H new ATOM 0 HB3 LEU A 61 6.674 6.483 -7.852 1.00 41.31 H new ATOM 0 HG LEU A 61 7.210 6.323 -5.424 1.00 43.33 H new ATOM 0 HD11 LEU A 61 6.713 8.208 -3.901 1.00 54.14 H new ATOM 0 HD12 LEU A 61 8.054 8.576 -5.012 1.00 54.14 H new ATOM 0 HD13 LEU A 61 6.439 9.262 -5.309 1.00 54.14 H new ATOM 0 HD21 LEU A 61 4.901 6.640 -4.565 1.00 62.22 H new ATOM 0 HD22 LEU A 61 4.498 7.578 -6.023 1.00 62.22 H new ATOM 0 HD23 LEU A 61 4.921 5.855 -6.162 1.00 62.22 H new ATOM 907 N VAL A 62 10.126 6.868 -5.936 1.00 75.43 N ATOM 908 CA VAL A 62 10.974 5.885 -5.219 1.00 42.30 C ATOM 909 C VAL A 62 10.390 5.611 -3.814 1.00 20.31 C ATOM 910 O VAL A 62 10.146 6.551 -3.053 1.00 23.55 O ATOM 911 CB VAL A 62 12.465 6.384 -5.085 1.00 61.33 C ATOM 912 CG1 VAL A 62 13.369 5.314 -4.409 1.00 4.52 C ATOM 913 CG2 VAL A 62 13.041 6.807 -6.462 1.00 1.12 C ATOM 0 H VAL A 62 10.158 7.807 -5.539 1.00 75.43 H new ATOM 0 HA VAL A 62 10.979 4.965 -5.804 1.00 42.30 H new ATOM 0 HB VAL A 62 12.456 7.262 -4.439 1.00 61.33 H new ATOM 0 HG11 VAL A 62 14.388 5.693 -4.334 1.00 4.52 H new ATOM 0 HG12 VAL A 62 12.989 5.095 -3.411 1.00 4.52 H new ATOM 0 HG13 VAL A 62 13.364 4.403 -5.007 1.00 4.52 H new ATOM 0 HG21 VAL A 62 14.069 7.146 -6.338 1.00 1.12 H new ATOM 0 HG22 VAL A 62 13.019 5.956 -7.142 1.00 1.12 H new ATOM 0 HG23 VAL A 62 12.439 7.617 -6.875 1.00 1.12 H new ATOM 923 N GLU A 63 10.144 4.323 -3.492 1.00 73.20 N ATOM 924 CA GLU A 63 9.744 3.879 -2.133 1.00 62.43 C ATOM 925 C GLU A 63 10.816 2.912 -1.578 1.00 63.45 C ATOM 926 O GLU A 63 11.152 1.934 -2.240 1.00 32.54 O ATOM 927 CB GLU A 63 8.352 3.171 -2.160 1.00 72.13 C ATOM 928 CG GLU A 63 7.230 3.947 -2.887 1.00 41.13 C ATOM 929 CD GLU A 63 5.807 3.366 -2.659 1.00 61.13 C ATOM 930 OE1 GLU A 63 5.584 2.164 -2.944 1.00 31.22 O ATOM 931 OE2 GLU A 63 4.913 4.110 -2.198 1.00 2.31 O ATOM 0 H GLU A 63 10.216 3.559 -4.164 1.00 73.20 H new ATOM 0 HA GLU A 63 9.664 4.754 -1.488 1.00 62.43 H new ATOM 0 HB2 GLU A 63 8.467 2.198 -2.638 1.00 72.13 H new ATOM 0 HB3 GLU A 63 8.037 2.986 -1.133 1.00 72.13 H new ATOM 0 HG2 GLU A 63 7.245 4.984 -2.553 1.00 41.13 H new ATOM 0 HG3 GLU A 63 7.441 3.953 -3.956 1.00 41.13 H new ATOM 938 N ARG A 64 11.345 3.196 -0.373 1.00 61.23 N ATOM 939 CA ARG A 64 12.326 2.334 0.331 1.00 3.11 C ATOM 940 C ARG A 64 11.646 1.507 1.456 1.00 41.34 C ATOM 941 O ARG A 64 10.885 2.041 2.264 1.00 32.13 O ATOM 942 CB ARG A 64 13.469 3.200 0.933 1.00 24.43 C ATOM 943 CG ARG A 64 14.536 2.389 1.725 1.00 21.32 C ATOM 944 CD ARG A 64 15.774 3.221 2.144 1.00 43.34 C ATOM 945 NE ARG A 64 16.824 3.216 1.107 1.00 54.14 N ATOM 946 CZ ARG A 64 18.005 3.774 1.220 1.00 3.24 C ATOM 947 NH1 ARG A 64 18.325 4.507 2.239 1.00 75.14 N ATOM 948 NH2 ARG A 64 18.869 3.613 0.283 1.00 15.24 N ATOM 0 H ARG A 64 11.104 4.039 0.149 1.00 61.23 H new ATOM 0 HA ARG A 64 12.743 1.640 -0.399 1.00 3.11 H new ATOM 0 HB2 ARG A 64 13.965 3.739 0.126 1.00 24.43 H new ATOM 0 HB3 ARG A 64 13.033 3.948 1.595 1.00 24.43 H new ATOM 0 HG2 ARG A 64 14.071 1.972 2.619 1.00 21.32 H new ATOM 0 HG3 ARG A 64 14.865 1.548 1.115 1.00 21.32 H new ATOM 0 HD2 ARG A 64 15.469 4.248 2.345 1.00 43.34 H new ATOM 0 HD3 ARG A 64 16.181 2.822 3.073 1.00 43.34 H new ATOM 0 HE ARG A 64 16.614 2.739 0.230 1.00 54.14 H new ATOM 0 HH11 ARG A 64 17.649 4.665 2.986 1.00 75.14 H new ATOM 0 HH12 ARG A 64 19.253 4.926 2.294 1.00 75.14 H new ATOM 0 HH21 ARG A 64 18.633 3.056 -0.538 1.00 15.24 H new ATOM 0 HH22 ARG A 64 19.791 4.042 0.360 1.00 15.24 H new ATOM 962 N LEU A 65 11.970 0.202 1.490 1.00 24.34 N ATOM 963 CA LEU A 65 11.443 -0.784 2.455 1.00 72.14 C ATOM 964 C LEU A 65 12.106 -0.614 3.843 1.00 70.01 C ATOM 965 O LEU A 65 13.306 -0.864 4.004 1.00 40.35 O ATOM 966 CB LEU A 65 11.672 -2.218 1.871 1.00 65.31 C ATOM 967 CG LEU A 65 11.280 -3.454 2.751 1.00 32.23 C ATOM 968 CD1 LEU A 65 9.893 -3.289 3.381 1.00 24.55 C ATOM 969 CD2 LEU A 65 11.351 -4.768 1.921 1.00 41.01 C ATOM 0 H LEU A 65 12.626 -0.210 0.827 1.00 24.34 H new ATOM 0 HA LEU A 65 10.375 -0.625 2.604 1.00 72.14 H new ATOM 0 HB2 LEU A 65 11.117 -2.288 0.935 1.00 65.31 H new ATOM 0 HB3 LEU A 65 12.729 -2.310 1.622 1.00 65.31 H new ATOM 0 HG LEU A 65 12.004 -3.516 3.563 1.00 32.23 H new ATOM 0 HD11 LEU A 65 9.660 -4.167 3.983 1.00 24.55 H new ATOM 0 HD12 LEU A 65 9.884 -2.402 4.015 1.00 24.55 H new ATOM 0 HD13 LEU A 65 9.147 -3.180 2.594 1.00 24.55 H new ATOM 0 HD21 LEU A 65 11.075 -5.613 2.552 1.00 41.01 H new ATOM 0 HD22 LEU A 65 10.662 -4.704 1.079 1.00 41.01 H new ATOM 0 HD23 LEU A 65 12.366 -4.909 1.550 1.00 41.01 H new ATOM 981 N VAL A 66 11.305 -0.173 4.833 1.00 24.51 N ATOM 982 CA VAL A 66 11.772 0.036 6.221 1.00 35.11 C ATOM 983 C VAL A 66 11.899 -1.306 6.980 1.00 71.13 C ATOM 984 O VAL A 66 12.958 -1.615 7.541 1.00 11.02 O ATOM 985 CB VAL A 66 10.791 0.993 7.007 1.00 24.23 C ATOM 986 CG1 VAL A 66 11.173 1.119 8.510 1.00 72.32 C ATOM 987 CG2 VAL A 66 10.717 2.387 6.338 1.00 54.22 C ATOM 0 H VAL A 66 10.319 0.048 4.695 1.00 24.51 H new ATOM 0 HA VAL A 66 12.756 0.500 6.164 1.00 35.11 H new ATOM 0 HB VAL A 66 9.801 0.539 6.963 1.00 24.23 H new ATOM 0 HG11 VAL A 66 10.471 1.787 9.009 1.00 72.32 H new ATOM 0 HG12 VAL A 66 11.135 0.136 8.979 1.00 72.32 H new ATOM 0 HG13 VAL A 66 12.182 1.523 8.596 1.00 72.32 H new ATOM 0 HG21 VAL A 66 10.035 3.025 6.900 1.00 54.22 H new ATOM 0 HG22 VAL A 66 11.709 2.838 6.327 1.00 54.22 H new ATOM 0 HG23 VAL A 66 10.355 2.281 5.315 1.00 54.22 H new ATOM 997 N GLU A 67 10.810 -2.099 6.968 1.00 61.53 N ATOM 998 CA GLU A 67 10.713 -3.338 7.768 1.00 22.41 C ATOM 999 C GLU A 67 9.609 -4.273 7.219 1.00 71.02 C ATOM 1000 O GLU A 67 8.661 -3.819 6.573 1.00 71.10 O ATOM 1001 CB GLU A 67 10.473 -2.968 9.265 1.00 12.43 C ATOM 1002 CG GLU A 67 10.605 -4.136 10.269 1.00 10.31 C ATOM 1003 CD GLU A 67 10.818 -3.661 11.717 1.00 52.34 C ATOM 1004 OE1 GLU A 67 11.987 -3.443 12.110 1.00 52.02 O ATOM 1005 OE2 GLU A 67 9.831 -3.474 12.460 1.00 40.35 O ATOM 0 H GLU A 67 9.979 -1.903 6.409 1.00 61.53 H new ATOM 0 HA GLU A 67 11.651 -3.889 7.694 1.00 22.41 H new ATOM 0 HB2 GLU A 67 11.181 -2.188 9.546 1.00 12.43 H new ATOM 0 HB3 GLU A 67 9.474 -2.541 9.360 1.00 12.43 H new ATOM 0 HG2 GLU A 67 9.707 -4.751 10.223 1.00 10.31 H new ATOM 0 HG3 GLU A 67 11.441 -4.770 9.973 1.00 10.31 H new ATOM 1012 N ARG A 68 9.753 -5.579 7.481 1.00 15.14 N ATOM 1013 CA ARG A 68 8.858 -6.621 6.942 1.00 42.34 C ATOM 1014 C ARG A 68 8.557 -7.709 8.008 1.00 54.20 C ATOM 1015 O ARG A 68 9.471 -8.329 8.555 1.00 31.55 O ATOM 1016 CB ARG A 68 9.518 -7.254 5.686 1.00 34.32 C ATOM 1017 CG ARG A 68 8.706 -8.397 5.043 1.00 43.00 C ATOM 1018 CD ARG A 68 7.360 -7.929 4.453 1.00 21.23 C ATOM 1019 NE ARG A 68 7.543 -7.092 3.262 1.00 74.41 N ATOM 1020 CZ ARG A 68 7.892 -7.529 2.067 1.00 32.50 C ATOM 1021 NH1 ARG A 68 8.218 -8.776 1.869 1.00 54.42 N ATOM 1022 NH2 ARG A 68 7.942 -6.704 1.072 1.00 34.13 N ATOM 0 H ARG A 68 10.496 -5.948 8.075 1.00 15.14 H new ATOM 0 HA ARG A 68 7.907 -6.165 6.666 1.00 42.34 H new ATOM 0 HB2 ARG A 68 9.675 -6.474 4.941 1.00 34.32 H new ATOM 0 HB3 ARG A 68 10.502 -7.634 5.961 1.00 34.32 H new ATOM 0 HG2 ARG A 68 9.301 -8.857 4.254 1.00 43.00 H new ATOM 0 HG3 ARG A 68 8.519 -9.167 5.792 1.00 43.00 H new ATOM 0 HD2 ARG A 68 6.755 -8.798 4.196 1.00 21.23 H new ATOM 0 HD3 ARG A 68 6.808 -7.369 5.208 1.00 21.23 H new ATOM 0 HE ARG A 68 7.388 -6.089 3.366 1.00 74.41 H new ATOM 0 HH11 ARG A 68 8.206 -9.436 2.647 1.00 54.42 H new ATOM 0 HH12 ARG A 68 8.485 -9.092 0.936 1.00 54.42 H new ATOM 0 HH21 ARG A 68 7.712 -5.720 1.213 1.00 34.13 H new ATOM 0 HH22 ARG A 68 8.211 -7.037 0.146 1.00 34.13 H new ATOM 1036 N ASP A 69 7.258 -7.932 8.283 1.00 14.44 N ATOM 1037 CA ASP A 69 6.786 -8.993 9.203 1.00 13.24 C ATOM 1038 C ASP A 69 5.813 -9.949 8.469 1.00 22.11 C ATOM 1039 O ASP A 69 4.600 -9.877 8.658 1.00 34.14 O ATOM 1040 CB ASP A 69 6.091 -8.365 10.443 1.00 25.21 C ATOM 1041 CG ASP A 69 6.947 -7.305 11.147 1.00 12.41 C ATOM 1042 OD1 ASP A 69 7.828 -7.679 11.948 1.00 35.14 O ATOM 1043 OD2 ASP A 69 6.731 -6.094 10.911 1.00 71.13 O ATOM 0 H ASP A 69 6.502 -7.382 7.874 1.00 14.44 H new ATOM 0 HA ASP A 69 7.649 -9.567 9.542 1.00 13.24 H new ATOM 0 HB2 ASP A 69 5.149 -7.913 10.133 1.00 25.21 H new ATOM 0 HB3 ASP A 69 5.847 -9.155 11.153 1.00 25.21 H new ATOM 1048 N GLU A 70 6.355 -10.849 7.628 1.00 65.41 N ATOM 1049 CA GLU A 70 5.536 -11.829 6.856 1.00 30.24 C ATOM 1050 C GLU A 70 4.831 -12.873 7.760 1.00 41.33 C ATOM 1051 O GLU A 70 3.872 -13.526 7.329 1.00 41.32 O ATOM 1052 CB GLU A 70 6.406 -12.507 5.764 1.00 12.11 C ATOM 1053 CG GLU A 70 6.829 -11.530 4.651 1.00 54.12 C ATOM 1054 CD GLU A 70 7.798 -12.102 3.616 1.00 13.24 C ATOM 1055 OE1 GLU A 70 7.441 -13.076 2.920 1.00 34.23 O ATOM 1056 OE2 GLU A 70 8.920 -11.561 3.467 1.00 53.43 O ATOM 0 H GLU A 70 7.358 -10.926 7.459 1.00 65.41 H new ATOM 0 HA GLU A 70 4.734 -11.273 6.370 1.00 30.24 H new ATOM 0 HB2 GLU A 70 7.297 -12.932 6.227 1.00 12.11 H new ATOM 0 HB3 GLU A 70 5.850 -13.334 5.324 1.00 12.11 H new ATOM 0 HG2 GLU A 70 5.934 -11.183 4.134 1.00 54.12 H new ATOM 0 HG3 GLU A 70 7.289 -10.656 5.112 1.00 54.12 H new ATOM 1063 N SER A 71 5.318 -13.023 9.005 1.00 54.02 N ATOM 1064 CA SER A 71 4.633 -13.813 10.056 1.00 22.41 C ATOM 1065 C SER A 71 3.293 -13.142 10.462 1.00 51.34 C ATOM 1066 O SER A 71 2.254 -13.798 10.547 1.00 44.54 O ATOM 1067 CB SER A 71 5.551 -13.944 11.296 1.00 50.21 C ATOM 1068 OG SER A 71 6.795 -14.542 10.963 1.00 30.23 O ATOM 0 H SER A 71 6.194 -12.603 9.315 1.00 54.02 H new ATOM 0 HA SER A 71 4.417 -14.804 9.658 1.00 22.41 H new ATOM 0 HB2 SER A 71 5.724 -12.958 11.727 1.00 50.21 H new ATOM 0 HB3 SER A 71 5.051 -14.542 12.058 1.00 50.21 H new ATOM 0 HG SER A 71 7.352 -14.609 11.767 1.00 30.23 H new ATOM 1074 N ALA A 72 3.348 -11.815 10.685 1.00 15.41 N ATOM 1075 CA ALA A 72 2.178 -10.988 11.077 1.00 31.01 C ATOM 1076 C ALA A 72 1.392 -10.434 9.858 1.00 63.42 C ATOM 1077 O ALA A 72 0.369 -9.763 10.044 1.00 51.01 O ATOM 1078 CB ALA A 72 2.652 -9.826 11.972 1.00 41.31 C ATOM 0 H ALA A 72 4.210 -11.277 10.599 1.00 15.41 H new ATOM 0 HA ALA A 72 1.491 -11.634 11.623 1.00 31.01 H new ATOM 0 HB1 ALA A 72 1.796 -9.217 12.261 1.00 41.31 H new ATOM 0 HB2 ALA A 72 3.131 -10.227 12.865 1.00 41.31 H new ATOM 0 HB3 ALA A 72 3.365 -9.211 11.423 1.00 41.31 H new ATOM 1084 N ARG A 73 1.887 -10.724 8.625 1.00 62.21 N ATOM 1085 CA ARG A 73 1.322 -10.194 7.348 1.00 61.41 C ATOM 1086 C ARG A 73 1.358 -8.639 7.320 1.00 70.32 C ATOM 1087 O ARG A 73 0.364 -7.974 7.009 1.00 74.11 O ATOM 1088 CB ARG A 73 -0.109 -10.752 7.104 1.00 50.31 C ATOM 1089 CG ARG A 73 -0.182 -12.296 6.986 1.00 54.12 C ATOM 1090 CD ARG A 73 -1.619 -12.821 7.158 1.00 52.44 C ATOM 1091 NE ARG A 73 -2.167 -12.443 8.480 1.00 53.12 N ATOM 1092 CZ ARG A 73 -2.186 -13.201 9.564 1.00 43.52 C ATOM 1093 NH1 ARG A 73 -1.780 -14.429 9.542 1.00 64.11 N ATOM 1094 NH2 ARG A 73 -2.631 -12.713 10.673 1.00 74.52 N ATOM 0 H ARG A 73 2.692 -11.334 8.485 1.00 62.21 H new ATOM 0 HA ARG A 73 1.949 -10.540 6.526 1.00 61.41 H new ATOM 0 HB2 ARG A 73 -0.755 -10.431 7.921 1.00 50.31 H new ATOM 0 HB3 ARG A 73 -0.507 -10.311 6.190 1.00 50.31 H new ATOM 0 HG2 ARG A 73 0.202 -12.604 6.013 1.00 54.12 H new ATOM 0 HG3 ARG A 73 0.462 -12.748 7.741 1.00 54.12 H new ATOM 0 HD2 ARG A 73 -2.254 -12.419 6.369 1.00 52.44 H new ATOM 0 HD3 ARG A 73 -1.629 -13.906 7.053 1.00 52.44 H new ATOM 0 HE ARG A 73 -2.568 -11.509 8.563 1.00 53.12 H new ATOM 0 HH11 ARG A 73 -1.434 -14.836 8.673 1.00 64.11 H new ATOM 0 HH12 ARG A 73 -1.806 -14.990 10.393 1.00 64.11 H new ATOM 0 HH21 ARG A 73 -2.965 -11.750 10.709 1.00 74.52 H new ATOM 0 HH22 ARG A 73 -2.649 -13.291 11.513 1.00 74.52 H new ATOM 1108 N ARG A 74 2.549 -8.086 7.609 1.00 0.10 N ATOM 1109 CA ARG A 74 2.776 -6.631 7.761 1.00 51.42 C ATOM 1110 C ARG A 74 3.943 -6.167 6.845 1.00 42.31 C ATOM 1111 O ARG A 74 4.993 -6.808 6.804 1.00 10.02 O ATOM 1112 CB ARG A 74 3.106 -6.322 9.250 1.00 4.21 C ATOM 1113 CG ARG A 74 2.942 -4.845 9.673 1.00 54.11 C ATOM 1114 CD ARG A 74 3.530 -4.553 11.078 1.00 14.21 C ATOM 1115 NE ARG A 74 3.227 -5.610 12.069 1.00 74.23 N ATOM 1116 CZ ARG A 74 2.209 -5.630 12.909 1.00 71.12 C ATOM 1117 NH1 ARG A 74 1.257 -4.752 12.855 1.00 1.04 N ATOM 1118 NH2 ARG A 74 2.143 -6.572 13.792 1.00 32.15 N ATOM 0 H ARG A 74 3.394 -8.641 7.746 1.00 0.10 H new ATOM 0 HA ARG A 74 1.876 -6.091 7.467 1.00 51.42 H new ATOM 0 HB2 ARG A 74 2.464 -6.936 9.882 1.00 4.21 H new ATOM 0 HB3 ARG A 74 4.134 -6.627 9.447 1.00 4.21 H new ATOM 0 HG2 ARG A 74 3.432 -4.205 8.939 1.00 54.11 H new ATOM 0 HG3 ARG A 74 1.883 -4.585 9.666 1.00 54.11 H new ATOM 0 HD2 ARG A 74 4.611 -4.440 10.996 1.00 14.21 H new ATOM 0 HD3 ARG A 74 3.137 -3.603 11.439 1.00 14.21 H new ATOM 0 HE ARG A 74 3.869 -6.402 12.107 1.00 74.23 H new ATOM 0 HH11 ARG A 74 1.280 -4.017 12.148 1.00 1.04 H new ATOM 0 HH12 ARG A 74 0.484 -4.796 13.519 1.00 1.04 H new ATOM 0 HH21 ARG A 74 2.871 -7.285 13.832 1.00 32.15 H new ATOM 0 HH22 ARG A 74 1.363 -6.602 14.449 1.00 32.15 H new ATOM 1132 N LEU A 75 3.739 -5.071 6.102 1.00 43.04 N ATOM 1133 CA LEU A 75 4.756 -4.483 5.193 1.00 13.13 C ATOM 1134 C LEU A 75 4.882 -2.966 5.454 1.00 73.52 C ATOM 1135 O LEU A 75 4.012 -2.203 5.080 1.00 31.41 O ATOM 1136 CB LEU A 75 4.353 -4.794 3.707 1.00 32.02 C ATOM 1137 CG LEU A 75 5.051 -3.989 2.547 1.00 35.34 C ATOM 1138 CD1 LEU A 75 6.575 -3.901 2.704 1.00 55.40 C ATOM 1139 CD2 LEU A 75 4.699 -4.606 1.176 1.00 44.14 C ATOM 0 H LEU A 75 2.858 -4.556 6.109 1.00 43.04 H new ATOM 0 HA LEU A 75 5.734 -4.925 5.381 1.00 13.13 H new ATOM 0 HB2 LEU A 75 4.537 -5.854 3.530 1.00 32.02 H new ATOM 0 HB3 LEU A 75 3.278 -4.637 3.617 1.00 32.02 H new ATOM 0 HG LEU A 75 4.667 -2.971 2.606 1.00 35.34 H new ATOM 0 HD11 LEU A 75 6.994 -3.334 1.873 1.00 55.40 H new ATOM 0 HD12 LEU A 75 6.816 -3.401 3.642 1.00 55.40 H new ATOM 0 HD13 LEU A 75 6.999 -4.905 2.709 1.00 55.40 H new ATOM 0 HD21 LEU A 75 5.189 -4.038 0.385 1.00 44.14 H new ATOM 0 HD22 LEU A 75 5.040 -5.641 1.144 1.00 44.14 H new ATOM 0 HD23 LEU A 75 3.619 -4.575 1.029 1.00 44.14 H new ATOM 1151 N VAL A 76 6.009 -2.542 6.062 1.00 70.32 N ATOM 1152 CA VAL A 76 6.261 -1.124 6.431 1.00 21.54 C ATOM 1153 C VAL A 76 7.309 -0.506 5.474 1.00 72.41 C ATOM 1154 O VAL A 76 8.385 -1.080 5.276 1.00 23.23 O ATOM 1155 CB VAL A 76 6.780 -0.995 7.913 1.00 42.13 C ATOM 1156 CG1 VAL A 76 6.987 0.494 8.325 1.00 65.02 C ATOM 1157 CG2 VAL A 76 5.837 -1.728 8.901 1.00 44.12 C ATOM 0 H VAL A 76 6.773 -3.169 6.313 1.00 70.32 H new ATOM 0 HA VAL A 76 5.315 -0.590 6.347 1.00 21.54 H new ATOM 0 HB VAL A 76 7.755 -1.480 7.960 1.00 42.13 H new ATOM 0 HG11 VAL A 76 7.345 0.541 9.353 1.00 65.02 H new ATOM 0 HG12 VAL A 76 7.720 0.956 7.664 1.00 65.02 H new ATOM 0 HG13 VAL A 76 6.040 1.028 8.246 1.00 65.02 H new ATOM 0 HG21 VAL A 76 6.220 -1.622 9.916 1.00 44.12 H new ATOM 0 HG22 VAL A 76 4.839 -1.293 8.842 1.00 44.12 H new ATOM 0 HG23 VAL A 76 5.788 -2.785 8.640 1.00 44.12 H new ATOM 1167 N TYR A 77 6.998 0.670 4.902 1.00 54.42 N ATOM 1168 CA TYR A 77 7.921 1.386 3.995 1.00 55.25 C ATOM 1169 C TYR A 77 7.740 2.927 4.048 1.00 50.12 C ATOM 1170 O TYR A 77 6.892 3.450 4.769 1.00 10.21 O ATOM 1171 CB TYR A 77 7.813 0.833 2.549 1.00 65.14 C ATOM 1172 CG TYR A 77 6.431 0.935 1.871 1.00 64.04 C ATOM 1173 CD1 TYR A 77 6.083 2.050 1.105 1.00 53.12 C ATOM 1174 CD2 TYR A 77 5.500 -0.106 1.959 1.00 73.14 C ATOM 1175 CE1 TYR A 77 4.866 2.123 0.462 1.00 32.24 C ATOM 1176 CE2 TYR A 77 4.275 -0.030 1.319 1.00 10.15 C ATOM 1177 CZ TYR A 77 3.966 1.087 0.570 1.00 60.42 C ATOM 1178 OH TYR A 77 2.754 1.164 -0.088 1.00 74.41 O ATOM 0 H TYR A 77 6.110 1.150 5.051 1.00 54.42 H new ATOM 0 HA TYR A 77 8.934 1.196 4.350 1.00 55.25 H new ATOM 0 HB2 TYR A 77 8.537 1.361 1.928 1.00 65.14 H new ATOM 0 HB3 TYR A 77 8.109 -0.216 2.563 1.00 65.14 H new ATOM 0 HD1 TYR A 77 6.780 2.870 1.015 1.00 53.12 H new ATOM 0 HD2 TYR A 77 5.742 -0.985 2.537 1.00 73.14 H new ATOM 0 HE1 TYR A 77 4.618 2.994 -0.127 1.00 32.24 H new ATOM 0 HE2 TYR A 77 3.566 -0.840 1.405 1.00 10.15 H new ATOM 0 HH TYR A 77 2.234 0.353 0.089 1.00 74.41 H new ATOM 1188 N THR A 78 8.577 3.625 3.264 1.00 33.13 N ATOM 1189 CA THR A 78 8.740 5.103 3.286 1.00 24.31 C ATOM 1190 C THR A 78 9.126 5.605 1.880 1.00 2.13 C ATOM 1191 O THR A 78 9.880 4.929 1.201 1.00 44.40 O ATOM 1192 CB THR A 78 9.860 5.487 4.345 1.00 2.12 C ATOM 1193 OG1 THR A 78 9.310 5.452 5.668 1.00 5.33 O ATOM 1194 CG2 THR A 78 10.542 6.853 4.099 1.00 11.00 C ATOM 0 H THR A 78 9.179 3.173 2.576 1.00 33.13 H new ATOM 0 HA THR A 78 7.801 5.576 3.574 1.00 24.31 H new ATOM 0 HB THR A 78 10.645 4.740 4.227 1.00 2.12 H new ATOM 0 HG1 THR A 78 10.035 5.369 6.322 1.00 5.33 H new ATOM 0 HG21 THR A 78 11.291 7.030 4.871 1.00 11.00 H new ATOM 0 HG22 THR A 78 11.023 6.849 3.121 1.00 11.00 H new ATOM 0 HG23 THR A 78 9.793 7.645 4.132 1.00 11.00 H new ATOM 1202 N MET A 79 8.608 6.773 1.434 1.00 30.24 N ATOM 1203 CA MET A 79 9.028 7.389 0.139 1.00 63.02 C ATOM 1204 C MET A 79 10.165 8.434 0.358 1.00 12.42 C ATOM 1205 O MET A 79 9.897 9.538 0.854 1.00 40.33 O ATOM 1206 CB MET A 79 7.819 8.046 -0.594 1.00 73.35 C ATOM 1207 CG MET A 79 6.682 7.075 -0.949 1.00 25.31 C ATOM 1208 SD MET A 79 5.437 7.793 -2.051 1.00 32.21 S ATOM 1209 CE MET A 79 4.870 9.222 -1.137 1.00 51.43 C ATOM 0 H MET A 79 7.904 7.309 1.942 1.00 30.24 H new ATOM 0 HA MET A 79 9.414 6.589 -0.493 1.00 63.02 H new ATOM 0 HB2 MET A 79 7.418 8.840 0.035 1.00 73.35 H new ATOM 0 HB3 MET A 79 8.178 8.515 -1.510 1.00 73.35 H new ATOM 0 HG2 MET A 79 7.106 6.189 -1.421 1.00 25.31 H new ATOM 0 HG3 MET A 79 6.196 6.745 -0.031 1.00 25.31 H new ATOM 0 HE1 MET A 79 3.794 9.148 -0.976 1.00 51.43 H new ATOM 0 HE2 MET A 79 5.379 9.263 -0.174 1.00 51.43 H new ATOM 0 HE3 MET A 79 5.091 10.127 -1.703 1.00 51.43 H new ATOM 1219 N PRO A 80 11.466 8.104 0.015 1.00 51.11 N ATOM 1220 CA PRO A 80 12.586 9.088 0.067 1.00 30.43 C ATOM 1221 C PRO A 80 12.498 10.158 -1.058 1.00 1.52 C ATOM 1222 O PRO A 80 13.033 11.264 -0.915 1.00 64.05 O ATOM 1223 CB PRO A 80 13.847 8.197 -0.092 1.00 32.14 C ATOM 1224 CG PRO A 80 13.371 7.016 -0.884 1.00 40.21 C ATOM 1225 CD PRO A 80 11.956 6.760 -0.406 1.00 25.24 C ATOM 0 HA PRO A 80 12.581 9.672 0.988 1.00 30.43 H new ATOM 0 HB2 PRO A 80 14.646 8.727 -0.611 1.00 32.14 H new ATOM 0 HB3 PRO A 80 14.243 7.892 0.877 1.00 32.14 H new ATOM 0 HG2 PRO A 80 13.393 7.225 -1.954 1.00 40.21 H new ATOM 0 HG3 PRO A 80 14.007 6.147 -0.715 1.00 40.21 H new ATOM 0 HD2 PRO A 80 11.337 6.340 -1.199 1.00 25.24 H new ATOM 0 HD3 PRO A 80 11.937 6.051 0.422 1.00 25.24 H new ATOM 1233 N ASP A 81 11.814 9.815 -2.176 1.00 12.35 N ATOM 1234 CA ASP A 81 11.599 10.734 -3.319 1.00 1.20 C ATOM 1235 C ASP A 81 10.085 10.840 -3.667 1.00 62.23 C ATOM 1236 O ASP A 81 9.615 10.170 -4.595 1.00 61.25 O ATOM 1237 CB ASP A 81 12.414 10.259 -4.556 1.00 32.40 C ATOM 1238 CG ASP A 81 13.932 10.257 -4.314 1.00 2.23 C ATOM 1239 OD1 ASP A 81 14.454 9.273 -3.740 1.00 32.40 O ATOM 1240 OD2 ASP A 81 14.607 11.245 -4.680 1.00 11.23 O ATOM 0 H ASP A 81 11.396 8.894 -2.310 1.00 12.35 H new ATOM 0 HA ASP A 81 11.950 11.725 -3.033 1.00 1.20 H new ATOM 0 HB2 ASP A 81 12.095 9.253 -4.830 1.00 32.40 H new ATOM 0 HB3 ASP A 81 12.188 10.907 -5.403 1.00 32.40 H new ATOM 1245 N PRO A 82 9.282 11.645 -2.891 1.00 32.10 N ATOM 1246 CA PRO A 82 7.853 11.900 -3.204 1.00 64.21 C ATOM 1247 C PRO A 82 7.638 13.130 -4.154 1.00 3.24 C ATOM 1248 O PRO A 82 8.412 14.099 -4.110 1.00 42.01 O ATOM 1249 CB PRO A 82 7.270 12.162 -1.795 1.00 73.44 C ATOM 1250 CG PRO A 82 8.372 12.876 -1.060 1.00 32.45 C ATOM 1251 CD PRO A 82 9.682 12.332 -1.624 1.00 73.53 C ATOM 0 HA PRO A 82 7.382 11.080 -3.746 1.00 64.21 H new ATOM 0 HB2 PRO A 82 6.367 12.771 -1.846 1.00 73.44 H new ATOM 0 HB3 PRO A 82 6.999 11.231 -1.298 1.00 73.44 H new ATOM 0 HG2 PRO A 82 8.303 13.954 -1.207 1.00 32.45 H new ATOM 0 HG3 PRO A 82 8.305 12.695 0.013 1.00 32.45 H new ATOM 0 HD2 PRO A 82 10.396 13.133 -1.814 1.00 73.53 H new ATOM 0 HD3 PRO A 82 10.157 11.640 -0.929 1.00 73.53 H new ATOM 1259 N PRO A 83 6.583 13.112 -5.043 1.00 74.44 N ATOM 1260 CA PRO A 83 6.202 14.297 -5.865 1.00 25.34 C ATOM 1261 C PRO A 83 5.264 15.279 -5.103 1.00 41.53 C ATOM 1262 O PRO A 83 4.828 16.294 -5.653 1.00 21.13 O ATOM 1263 CB PRO A 83 5.491 13.641 -7.069 1.00 4.04 C ATOM 1264 CG PRO A 83 4.807 12.437 -6.481 1.00 70.31 C ATOM 1265 CD PRO A 83 5.711 11.940 -5.354 1.00 54.21 C ATOM 0 HA PRO A 83 7.054 14.918 -6.140 1.00 25.34 H new ATOM 0 HB2 PRO A 83 4.774 14.322 -7.528 1.00 4.04 H new ATOM 0 HB3 PRO A 83 6.202 13.356 -7.845 1.00 4.04 H new ATOM 0 HG2 PRO A 83 3.819 12.698 -6.101 1.00 70.31 H new ATOM 0 HG3 PRO A 83 4.665 11.663 -7.235 1.00 70.31 H new ATOM 0 HD2 PRO A 83 5.131 11.633 -4.484 1.00 54.21 H new ATOM 0 HD3 PRO A 83 6.299 11.077 -5.666 1.00 54.21 H new ATOM 1273 N PHE A 84 4.971 14.948 -3.831 1.00 72.23 N ATOM 1274 CA PHE A 84 4.113 15.757 -2.937 1.00 32.24 C ATOM 1275 C PHE A 84 4.986 16.565 -1.937 1.00 54.44 C ATOM 1276 O PHE A 84 6.119 16.155 -1.658 1.00 2.41 O ATOM 1277 CB PHE A 84 3.147 14.810 -2.169 1.00 44.52 C ATOM 1278 CG PHE A 84 2.313 13.913 -3.082 1.00 41.32 C ATOM 1279 CD1 PHE A 84 1.318 14.457 -3.897 1.00 54.02 C ATOM 1280 CD2 PHE A 84 2.526 12.531 -3.136 1.00 21.25 C ATOM 1281 CE1 PHE A 84 0.569 13.653 -4.737 1.00 65.43 C ATOM 1282 CE2 PHE A 84 1.773 11.728 -3.975 1.00 73.25 C ATOM 1283 CZ PHE A 84 0.794 12.289 -4.773 1.00 64.02 C ATOM 0 H PHE A 84 5.327 14.101 -3.388 1.00 72.23 H new ATOM 0 HA PHE A 84 3.534 16.464 -3.530 1.00 32.24 H new ATOM 0 HB2 PHE A 84 3.728 14.184 -1.491 1.00 44.52 H new ATOM 0 HB3 PHE A 84 2.477 15.410 -1.553 1.00 44.52 H new ATOM 0 HD1 PHE A 84 1.131 15.520 -3.871 1.00 54.02 H new ATOM 0 HD2 PHE A 84 3.288 12.085 -2.515 1.00 21.25 H new ATOM 0 HE1 PHE A 84 -0.192 14.091 -5.365 1.00 65.43 H new ATOM 0 HE2 PHE A 84 1.950 10.663 -4.006 1.00 73.25 H new ATOM 0 HZ PHE A 84 0.204 11.662 -5.425 1.00 64.02 H new ATOM 1293 N PRO A 85 4.480 17.724 -1.383 1.00 53.21 N ATOM 1294 CA PRO A 85 5.200 18.506 -0.327 1.00 24.05 C ATOM 1295 C PRO A 85 5.121 17.838 1.085 1.00 5.41 C ATOM 1296 O PRO A 85 4.671 18.444 2.067 1.00 13.52 O ATOM 1297 CB PRO A 85 4.473 19.877 -0.373 1.00 43.13 C ATOM 1298 CG PRO A 85 3.072 19.540 -0.789 1.00 64.13 C ATOM 1299 CD PRO A 85 3.199 18.390 -1.769 1.00 44.23 C ATOM 0 HA PRO A 85 6.273 18.577 -0.508 1.00 24.05 H new ATOM 0 HB2 PRO A 85 4.492 20.370 0.599 1.00 43.13 H new ATOM 0 HB3 PRO A 85 4.947 20.555 -1.083 1.00 43.13 H new ATOM 0 HG2 PRO A 85 2.466 19.256 0.071 1.00 64.13 H new ATOM 0 HG3 PRO A 85 2.585 20.397 -1.253 1.00 64.13 H new ATOM 0 HD2 PRO A 85 2.354 17.705 -1.692 1.00 44.23 H new ATOM 0 HD3 PRO A 85 3.229 18.745 -2.799 1.00 44.23 H new ATOM 1307 N ILE A 86 5.589 16.574 1.162 1.00 71.00 N ATOM 1308 CA ILE A 86 5.607 15.760 2.396 1.00 64.02 C ATOM 1309 C ILE A 86 7.062 15.322 2.710 1.00 62.22 C ATOM 1310 O ILE A 86 7.796 14.904 1.805 1.00 12.11 O ATOM 1311 CB ILE A 86 4.647 14.510 2.258 1.00 72.12 C ATOM 1312 CG1 ILE A 86 5.084 13.550 1.095 1.00 62.13 C ATOM 1313 CG2 ILE A 86 3.186 14.974 2.053 1.00 23.20 C ATOM 1314 CD1 ILE A 86 4.170 12.354 0.863 1.00 71.44 C ATOM 0 H ILE A 86 5.971 16.082 0.354 1.00 71.00 H new ATOM 0 HA ILE A 86 5.239 16.362 3.227 1.00 64.02 H new ATOM 0 HB ILE A 86 4.717 13.944 3.187 1.00 72.12 H new ATOM 0 HG12 ILE A 86 5.142 14.127 0.172 1.00 62.13 H new ATOM 0 HG13 ILE A 86 6.089 13.184 1.306 1.00 62.13 H new ATOM 0 HG21 ILE A 86 2.537 14.103 1.960 1.00 23.20 H new ATOM 0 HG22 ILE A 86 2.871 15.571 2.908 1.00 23.20 H new ATOM 0 HG23 ILE A 86 3.119 15.575 1.146 1.00 23.20 H new ATOM 0 HD11 ILE A 86 4.558 11.754 0.040 1.00 71.44 H new ATOM 0 HD12 ILE A 86 4.129 11.747 1.767 1.00 71.44 H new ATOM 0 HD13 ILE A 86 3.168 12.704 0.615 1.00 71.44 H new ATOM 1326 N THR A 87 7.482 15.447 3.984 1.00 52.43 N ATOM 1327 CA THR A 87 8.893 15.205 4.386 1.00 64.15 C ATOM 1328 C THR A 87 9.243 13.688 4.420 1.00 1.14 C ATOM 1329 O THR A 87 9.796 13.157 3.453 1.00 13.23 O ATOM 1330 CB THR A 87 9.215 15.878 5.770 1.00 4.13 C ATOM 1331 OG1 THR A 87 8.873 17.276 5.730 1.00 52.11 O ATOM 1332 CG2 THR A 87 10.694 15.731 6.178 1.00 1.31 C ATOM 0 H THR A 87 6.870 15.713 4.755 1.00 52.43 H new ATOM 0 HA THR A 87 9.520 15.668 3.624 1.00 64.15 H new ATOM 0 HB THR A 87 8.615 15.358 6.517 1.00 4.13 H new ATOM 0 HG1 THR A 87 8.466 17.538 6.582 1.00 52.11 H new ATOM 0 HG21 THR A 87 10.856 16.215 7.141 1.00 1.31 H new ATOM 0 HG22 THR A 87 10.946 14.674 6.256 1.00 1.31 H new ATOM 0 HG23 THR A 87 11.327 16.200 5.425 1.00 1.31 H new ATOM 1340 N ASN A 88 8.890 12.992 5.523 1.00 72.04 N ATOM 1341 CA ASN A 88 9.313 11.586 5.753 1.00 4.12 C ATOM 1342 C ASN A 88 8.470 10.577 4.929 1.00 61.05 C ATOM 1343 O ASN A 88 9.017 9.815 4.121 1.00 14.53 O ATOM 1344 CB ASN A 88 9.274 11.253 7.283 1.00 74.13 C ATOM 1345 CG ASN A 88 7.894 11.409 7.947 1.00 44.54 C ATOM 1346 OD1 ASN A 88 7.075 12.217 7.534 1.00 54.44 O ATOM 1347 ND2 ASN A 88 7.628 10.645 8.982 1.00 21.51 N ATOM 0 H ASN A 88 8.313 13.378 6.270 1.00 72.04 H new ATOM 0 HA ASN A 88 10.340 11.486 5.402 1.00 4.12 H new ATOM 0 HB2 ASN A 88 9.615 10.228 7.425 1.00 74.13 H new ATOM 0 HB3 ASN A 88 9.984 11.900 7.799 1.00 74.13 H new ATOM 0 HD21 ASN A 88 6.727 10.721 9.454 1.00 21.51 H new ATOM 0 HD22 ASN A 88 8.323 9.976 9.314 1.00 21.51 H new ATOM 1354 N HIS A 89 7.139 10.637 5.127 1.00 72.40 N ATOM 1355 CA HIS A 89 6.146 9.665 4.622 1.00 53.43 C ATOM 1356 C HIS A 89 6.400 8.202 5.100 1.00 63.21 C ATOM 1357 O HIS A 89 7.482 7.657 4.952 1.00 12.54 O ATOM 1358 CB HIS A 89 6.016 9.711 3.080 1.00 35.34 C ATOM 1359 CG HIS A 89 4.954 8.773 2.563 1.00 14.31 C ATOM 1360 ND1 HIS A 89 5.271 7.527 2.086 1.00 42.44 N ATOM 1361 CD2 HIS A 89 3.606 8.924 2.533 1.00 42.41 C ATOM 1362 CE1 HIS A 89 4.125 6.949 1.783 1.00 33.51 C ATOM 1363 NE2 HIS A 89 3.087 7.757 2.040 1.00 42.02 N ATOM 0 H HIS A 89 6.708 11.391 5.663 1.00 72.40 H new ATOM 0 HA HIS A 89 5.200 9.981 5.061 1.00 53.43 H new ATOM 0 HB2 HIS A 89 5.781 10.729 2.768 1.00 35.34 H new ATOM 0 HB3 HIS A 89 6.975 9.453 2.630 1.00 35.34 H new ATOM 0 HD2 HIS A 89 3.049 9.797 2.839 1.00 42.41 H new ATOM 0 HE1 HIS A 89 4.034 5.951 1.379 1.00 33.51 H new ATOM 0 HE2 HIS A 89 2.100 7.543 1.896 1.00 42.02 H new ATOM 1371 N ARG A 90 5.358 7.591 5.673 1.00 31.34 N ATOM 1372 CA ARG A 90 5.291 6.144 5.999 1.00 14.42 C ATOM 1373 C ARG A 90 4.046 5.548 5.311 1.00 14.55 C ATOM 1374 O ARG A 90 3.074 6.262 5.055 1.00 30.43 O ATOM 1375 CB ARG A 90 5.234 5.890 7.551 1.00 42.11 C ATOM 1376 CG ARG A 90 6.596 5.604 8.244 1.00 53.23 C ATOM 1377 CD ARG A 90 7.591 6.776 8.138 1.00 45.41 C ATOM 1378 NE ARG A 90 8.885 6.497 8.788 1.00 52.41 N ATOM 1379 CZ ARG A 90 10.039 7.054 8.460 1.00 44.21 C ATOM 1380 NH1 ARG A 90 10.139 7.856 7.438 1.00 52.01 N ATOM 1381 NH2 ARG A 90 11.094 6.768 9.143 1.00 73.20 N ATOM 0 H ARG A 90 4.510 8.094 5.934 1.00 31.34 H new ATOM 0 HA ARG A 90 6.197 5.660 5.635 1.00 14.42 H new ATOM 0 HB2 ARG A 90 4.783 6.761 8.026 1.00 42.11 H new ATOM 0 HB3 ARG A 90 4.570 5.046 7.737 1.00 42.11 H new ATOM 0 HG2 ARG A 90 6.421 5.379 9.296 1.00 53.23 H new ATOM 0 HG3 ARG A 90 7.043 4.715 7.799 1.00 53.23 H new ATOM 0 HD2 ARG A 90 7.762 7.006 7.086 1.00 45.41 H new ATOM 0 HD3 ARG A 90 7.148 7.663 8.590 1.00 45.41 H new ATOM 0 HE ARG A 90 8.891 5.821 9.551 1.00 52.41 H new ATOM 0 HH11 ARG A 90 9.317 8.066 6.872 1.00 52.01 H new ATOM 0 HH12 ARG A 90 11.039 8.274 7.204 1.00 52.01 H new ATOM 0 HH21 ARG A 90 11.033 6.118 9.927 1.00 73.20 H new ATOM 0 HH22 ARG A 90 11.989 7.191 8.899 1.00 73.20 H new ATOM 1395 N ALA A 91 4.093 4.242 5.019 1.00 2.01 N ATOM 1396 CA ALA A 91 2.960 3.499 4.433 1.00 22.42 C ATOM 1397 C ALA A 91 3.078 1.998 4.749 1.00 72.11 C ATOM 1398 O ALA A 91 4.162 1.423 4.637 1.00 23.00 O ATOM 1399 CB ALA A 91 2.869 3.738 2.916 1.00 54.12 C ATOM 0 H ALA A 91 4.918 3.665 5.181 1.00 2.01 H new ATOM 0 HA ALA A 91 2.039 3.871 4.883 1.00 22.42 H new ATOM 0 HB1 ALA A 91 2.026 3.179 2.510 1.00 54.12 H new ATOM 0 HB2 ALA A 91 2.726 4.801 2.723 1.00 54.12 H new ATOM 0 HB3 ALA A 91 3.790 3.403 2.439 1.00 54.12 H new ATOM 1405 N VAL A 92 1.954 1.366 5.150 1.00 44.43 N ATOM 1406 CA VAL A 92 1.949 -0.036 5.625 1.00 73.25 C ATOM 1407 C VAL A 92 0.762 -0.873 5.059 1.00 22.34 C ATOM 1408 O VAL A 92 -0.366 -0.386 4.956 1.00 73.40 O ATOM 1409 CB VAL A 92 1.994 -0.087 7.207 1.00 24.53 C ATOM 1410 CG1 VAL A 92 0.823 0.700 7.852 1.00 64.44 C ATOM 1411 CG2 VAL A 92 2.063 -1.545 7.741 1.00 32.50 C ATOM 0 H VAL A 92 1.034 1.806 5.154 1.00 44.43 H new ATOM 0 HA VAL A 92 2.853 -0.504 5.235 1.00 73.25 H new ATOM 0 HB VAL A 92 2.916 0.411 7.506 1.00 24.53 H new ATOM 0 HG11 VAL A 92 0.896 0.636 8.938 1.00 64.44 H new ATOM 0 HG12 VAL A 92 0.874 1.745 7.546 1.00 64.44 H new ATOM 0 HG13 VAL A 92 -0.125 0.273 7.527 1.00 64.44 H new ATOM 0 HG21 VAL A 92 2.092 -1.532 8.831 1.00 32.50 H new ATOM 0 HG22 VAL A 92 1.184 -2.096 7.408 1.00 32.50 H new ATOM 0 HG23 VAL A 92 2.962 -2.030 7.360 1.00 32.50 H new ATOM 1421 N LEU A 93 1.064 -2.141 4.675 1.00 41.52 N ATOM 1422 CA LEU A 93 0.067 -3.164 4.263 1.00 23.01 C ATOM 1423 C LEU A 93 -0.112 -4.187 5.403 1.00 23.33 C ATOM 1424 O LEU A 93 0.851 -4.842 5.795 1.00 12.53 O ATOM 1425 CB LEU A 93 0.534 -3.925 2.972 1.00 34.34 C ATOM 1426 CG LEU A 93 0.239 -3.261 1.590 1.00 71.54 C ATOM 1427 CD1 LEU A 93 -1.269 -3.064 1.376 1.00 53.50 C ATOM 1428 CD2 LEU A 93 1.013 -1.947 1.400 1.00 45.55 C ATOM 0 H LEU A 93 2.023 -2.487 4.643 1.00 41.52 H new ATOM 0 HA LEU A 93 -0.873 -2.656 4.049 1.00 23.01 H new ATOM 0 HB2 LEU A 93 1.610 -4.081 3.046 1.00 34.34 H new ATOM 0 HB3 LEU A 93 0.068 -4.910 2.977 1.00 34.34 H new ATOM 0 HG LEU A 93 0.596 -3.949 0.823 1.00 71.54 H new ATOM 0 HD11 LEU A 93 -1.441 -2.600 0.405 1.00 53.50 H new ATOM 0 HD12 LEU A 93 -1.771 -4.031 1.410 1.00 53.50 H new ATOM 0 HD13 LEU A 93 -1.667 -2.421 2.161 1.00 53.50 H new ATOM 0 HD21 LEU A 93 0.775 -1.523 0.425 1.00 45.55 H new ATOM 0 HD22 LEU A 93 0.730 -1.242 2.181 1.00 45.55 H new ATOM 0 HD23 LEU A 93 2.084 -2.143 1.459 1.00 45.55 H new ATOM 1440 N GLU A 94 -1.333 -4.312 5.942 1.00 71.22 N ATOM 1441 CA GLU A 94 -1.659 -5.347 6.955 1.00 52.00 C ATOM 1442 C GLU A 94 -2.849 -6.204 6.460 1.00 33.12 C ATOM 1443 O GLU A 94 -3.986 -5.729 6.412 1.00 13.04 O ATOM 1444 CB GLU A 94 -1.998 -4.670 8.320 1.00 41.23 C ATOM 1445 CG GLU A 94 -0.881 -3.752 8.872 1.00 52.21 C ATOM 1446 CD GLU A 94 -1.236 -3.051 10.199 1.00 71.32 C ATOM 1447 OE1 GLU A 94 -2.247 -2.317 10.244 1.00 52.33 O ATOM 1448 OE2 GLU A 94 -0.495 -3.213 11.200 1.00 55.15 O ATOM 0 H GLU A 94 -2.119 -3.710 5.697 1.00 71.22 H new ATOM 0 HA GLU A 94 -0.796 -5.997 7.099 1.00 52.00 H new ATOM 0 HB2 GLU A 94 -2.910 -4.084 8.205 1.00 41.23 H new ATOM 0 HB3 GLU A 94 -2.209 -5.447 9.055 1.00 41.23 H new ATOM 0 HG2 GLU A 94 0.022 -4.345 9.018 1.00 52.21 H new ATOM 0 HG3 GLU A 94 -0.647 -2.994 8.125 1.00 52.21 H new ATOM 1455 N VAL A 95 -2.586 -7.484 6.112 1.00 34.24 N ATOM 1456 CA VAL A 95 -3.641 -8.405 5.622 1.00 51.43 C ATOM 1457 C VAL A 95 -4.226 -9.200 6.813 1.00 70.10 C ATOM 1458 O VAL A 95 -3.565 -10.068 7.383 1.00 63.13 O ATOM 1459 CB VAL A 95 -3.090 -9.383 4.516 1.00 71.00 C ATOM 1460 CG1 VAL A 95 -4.205 -10.320 3.975 1.00 12.33 C ATOM 1461 CG2 VAL A 95 -2.427 -8.590 3.360 1.00 22.32 C ATOM 0 H VAL A 95 -1.657 -7.903 6.160 1.00 34.24 H new ATOM 0 HA VAL A 95 -4.430 -7.811 5.161 1.00 51.43 H new ATOM 0 HB VAL A 95 -2.330 -10.011 4.981 1.00 71.00 H new ATOM 0 HG11 VAL A 95 -3.788 -10.980 3.214 1.00 12.33 H new ATOM 0 HG12 VAL A 95 -4.607 -10.918 4.793 1.00 12.33 H new ATOM 0 HG13 VAL A 95 -5.003 -9.721 3.537 1.00 12.33 H new ATOM 0 HG21 VAL A 95 -2.054 -9.286 2.608 1.00 22.32 H new ATOM 0 HG22 VAL A 95 -3.162 -7.925 2.906 1.00 22.32 H new ATOM 0 HG23 VAL A 95 -1.598 -8.001 3.752 1.00 22.32 H new ATOM 1471 N VAL A 96 -5.479 -8.890 7.163 1.00 20.23 N ATOM 1472 CA VAL A 96 -6.155 -9.415 8.368 1.00 52.31 C ATOM 1473 C VAL A 96 -7.227 -10.474 7.971 1.00 64.30 C ATOM 1474 O VAL A 96 -8.245 -10.118 7.368 1.00 5.24 O ATOM 1475 CB VAL A 96 -6.825 -8.233 9.168 1.00 64.51 C ATOM 1476 CG1 VAL A 96 -7.518 -8.730 10.463 1.00 0.33 C ATOM 1477 CG2 VAL A 96 -5.793 -7.112 9.478 1.00 53.42 C ATOM 0 H VAL A 96 -6.065 -8.260 6.615 1.00 20.23 H new ATOM 0 HA VAL A 96 -5.413 -9.896 9.005 1.00 52.31 H new ATOM 0 HB VAL A 96 -7.601 -7.810 8.530 1.00 64.51 H new ATOM 0 HG11 VAL A 96 -7.966 -7.884 10.983 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -8.294 -9.451 10.207 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -6.781 -9.205 11.111 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -6.282 -6.310 10.030 1.00 53.42 H new ATOM 0 HG22 VAL A 96 -4.980 -7.522 10.077 1.00 53.42 H new ATOM 0 HG23 VAL A 96 -5.392 -6.718 8.544 1.00 53.42 H new ATOM 1487 N PRO A 97 -7.019 -11.794 8.298 1.00 41.02 N ATOM 1488 CA PRO A 97 -7.959 -12.882 7.902 1.00 20.21 C ATOM 1489 C PRO A 97 -9.337 -12.782 8.612 1.00 45.34 C ATOM 1490 O PRO A 97 -9.432 -12.974 9.827 1.00 10.04 O ATOM 1491 CB PRO A 97 -7.205 -14.190 8.302 1.00 33.20 C ATOM 1492 CG PRO A 97 -5.790 -13.765 8.583 1.00 11.34 C ATOM 1493 CD PRO A 97 -5.874 -12.337 9.067 1.00 34.54 C ATOM 0 HA PRO A 97 -8.204 -12.835 6.841 1.00 20.21 H new ATOM 0 HB2 PRO A 97 -7.658 -14.652 9.179 1.00 33.20 H new ATOM 0 HB3 PRO A 97 -7.242 -14.926 7.499 1.00 33.20 H new ATOM 0 HG2 PRO A 97 -5.332 -14.406 9.336 1.00 11.34 H new ATOM 0 HG3 PRO A 97 -5.175 -13.838 7.686 1.00 11.34 H new ATOM 0 HD2 PRO A 97 -6.048 -12.284 10.142 1.00 34.54 H new ATOM 0 HD3 PRO A 97 -4.955 -11.787 8.865 1.00 34.54 H new ATOM 1501 N ARG A 98 -10.393 -12.436 7.851 1.00 34.12 N ATOM 1502 CA ARG A 98 -11.791 -12.486 8.346 1.00 53.45 C ATOM 1503 C ARG A 98 -12.279 -13.954 8.388 1.00 25.42 C ATOM 1504 O ARG A 98 -12.862 -14.413 9.376 1.00 24.33 O ATOM 1505 CB ARG A 98 -12.708 -11.614 7.444 1.00 13.44 C ATOM 1506 CG ARG A 98 -12.345 -10.105 7.433 1.00 42.04 C ATOM 1507 CD ARG A 98 -12.430 -9.462 8.834 1.00 72.00 C ATOM 1508 NE ARG A 98 -12.154 -8.010 8.826 1.00 22.34 N ATOM 1509 CZ ARG A 98 -12.111 -7.236 9.896 1.00 72.01 C ATOM 1510 NH1 ARG A 98 -12.259 -7.724 11.092 1.00 74.53 N ATOM 1511 NH2 ARG A 98 -11.911 -5.966 9.756 1.00 21.24 N ATOM 0 H ARG A 98 -10.308 -12.117 6.886 1.00 34.12 H new ATOM 0 HA ARG A 98 -11.833 -12.082 9.358 1.00 53.45 H new ATOM 0 HB2 ARG A 98 -12.662 -11.994 6.424 1.00 13.44 H new ATOM 0 HB3 ARG A 98 -13.739 -11.725 7.779 1.00 13.44 H new ATOM 0 HG2 ARG A 98 -11.335 -9.981 7.041 1.00 42.04 H new ATOM 0 HG3 ARG A 98 -13.017 -9.579 6.755 1.00 42.04 H new ATOM 0 HD2 ARG A 98 -13.424 -9.634 9.246 1.00 72.00 H new ATOM 0 HD3 ARG A 98 -11.720 -9.957 9.497 1.00 72.00 H new ATOM 0 HE ARG A 98 -11.983 -7.570 7.922 1.00 22.34 H new ATOM 0 HH11 ARG A 98 -12.412 -8.724 11.219 1.00 74.53 H new ATOM 0 HH12 ARG A 98 -12.222 -7.106 11.903 1.00 74.53 H new ATOM 0 HH21 ARG A 98 -11.788 -5.569 8.825 1.00 21.24 H new ATOM 0 HH22 ARG A 98 -11.876 -5.362 10.577 1.00 21.24 H new ATOM 1525 N ASP A 99 -12.012 -14.669 7.285 1.00 74.30 N ATOM 1526 CA ASP A 99 -12.184 -16.131 7.165 1.00 41.03 C ATOM 1527 C ASP A 99 -10.830 -16.775 6.762 1.00 61.34 C ATOM 1528 O ASP A 99 -9.770 -16.138 6.859 1.00 21.43 O ATOM 1529 CB ASP A 99 -13.263 -16.445 6.092 1.00 71.01 C ATOM 1530 CG ASP A 99 -14.642 -15.860 6.427 1.00 32.30 C ATOM 1531 OD1 ASP A 99 -15.365 -16.458 7.245 1.00 33.23 O ATOM 1532 OD2 ASP A 99 -15.009 -14.804 5.869 1.00 24.23 O ATOM 0 H ASP A 99 -11.662 -14.239 6.429 1.00 74.30 H new ATOM 0 HA ASP A 99 -12.508 -16.542 8.121 1.00 41.03 H new ATOM 0 HB2 ASP A 99 -12.934 -16.052 5.130 1.00 71.01 H new ATOM 0 HB3 ASP A 99 -13.352 -17.526 5.982 1.00 71.01 H new ATOM 1537 N ASP A 100 -10.869 -18.050 6.334 1.00 21.43 N ATOM 1538 CA ASP A 100 -9.720 -18.707 5.672 1.00 10.43 C ATOM 1539 C ASP A 100 -9.660 -18.337 4.180 1.00 72.44 C ATOM 1540 O ASP A 100 -8.576 -18.200 3.622 1.00 60.33 O ATOM 1541 CB ASP A 100 -9.802 -20.237 5.840 1.00 23.51 C ATOM 1542 CG ASP A 100 -9.587 -20.664 7.297 1.00 41.30 C ATOM 1543 OD1 ASP A 100 -8.416 -20.809 7.716 1.00 41.54 O ATOM 1544 OD2 ASP A 100 -10.577 -20.829 8.042 1.00 64.35 O ATOM 0 H ASP A 100 -11.687 -18.651 6.434 1.00 21.43 H new ATOM 0 HA ASP A 100 -8.807 -18.351 6.150 1.00 10.43 H new ATOM 0 HB2 ASP A 100 -10.776 -20.588 5.499 1.00 23.51 H new ATOM 0 HB3 ASP A 100 -9.052 -20.712 5.208 1.00 23.51 H new ATOM 1549 N ARG A 101 -10.842 -18.183 3.547 1.00 63.31 N ATOM 1550 CA ARG A 101 -10.952 -17.856 2.103 1.00 50.31 C ATOM 1551 C ARG A 101 -11.449 -16.395 1.882 1.00 1.23 C ATOM 1552 O ARG A 101 -11.815 -16.012 0.768 1.00 20.43 O ATOM 1553 CB ARG A 101 -11.878 -18.905 1.414 1.00 23.42 C ATOM 1554 CG ARG A 101 -11.731 -18.989 -0.127 1.00 73.34 C ATOM 1555 CD ARG A 101 -12.554 -20.132 -0.758 1.00 31.11 C ATOM 1556 NE ARG A 101 -12.148 -21.457 -0.243 1.00 64.23 N ATOM 1557 CZ ARG A 101 -11.314 -22.293 -0.831 1.00 75.32 C ATOM 1558 NH1 ARG A 101 -10.729 -21.993 -1.951 1.00 62.24 N ATOM 1559 NH2 ARG A 101 -11.054 -23.428 -0.270 1.00 45.32 N ATOM 0 H ARG A 101 -11.743 -18.280 4.015 1.00 63.31 H new ATOM 0 HA ARG A 101 -9.964 -17.908 1.645 1.00 50.31 H new ATOM 0 HB2 ARG A 101 -11.670 -19.887 1.839 1.00 23.42 H new ATOM 0 HB3 ARG A 101 -12.914 -18.667 1.654 1.00 23.42 H new ATOM 0 HG2 ARG A 101 -12.042 -18.041 -0.567 1.00 73.34 H new ATOM 0 HG3 ARG A 101 -10.679 -19.127 -0.378 1.00 73.34 H new ATOM 0 HD2 ARG A 101 -13.613 -19.972 -0.553 1.00 31.11 H new ATOM 0 HD3 ARG A 101 -12.432 -20.111 -1.841 1.00 31.11 H new ATOM 0 HE ARG A 101 -12.549 -21.751 0.647 1.00 64.23 H new ATOM 0 HH11 ARG A 101 -10.910 -21.093 -2.396 1.00 62.24 H new ATOM 0 HH12 ARG A 101 -10.088 -22.657 -2.385 1.00 62.24 H new ATOM 0 HH21 ARG A 101 -11.492 -23.670 0.619 1.00 45.32 H new ATOM 0 HH22 ARG A 101 -10.411 -24.082 -0.716 1.00 45.32 H new ATOM 1573 N HIS A 102 -11.439 -15.572 2.955 1.00 4.22 N ATOM 1574 CA HIS A 102 -11.729 -14.108 2.881 1.00 70.10 C ATOM 1575 C HIS A 102 -10.801 -13.344 3.856 1.00 54.12 C ATOM 1576 O HIS A 102 -10.378 -13.890 4.880 1.00 2.11 O ATOM 1577 CB HIS A 102 -13.217 -13.784 3.205 1.00 2.13 C ATOM 1578 CG HIS A 102 -14.212 -14.465 2.302 1.00 14.50 C ATOM 1579 ND1 HIS A 102 -14.510 -14.268 0.993 1.00 62.53 N flip ATOM 1580 CD2 HIS A 102 -14.988 -15.528 2.707 1.00 42.15 C flip ATOM 1581 CE1 HIS A 102 -15.443 -15.212 0.644 1.00 2.51 C flip ATOM 1582 NE2 HIS A 102 -15.711 -15.956 1.694 1.00 34.54 N flip ATOM 0 H HIS A 102 -11.231 -15.896 3.899 1.00 4.22 H new ATOM 0 HA HIS A 102 -11.542 -13.787 1.856 1.00 70.10 H new ATOM 0 HB2 HIS A 102 -13.423 -14.072 4.236 1.00 2.13 H new ATOM 0 HB3 HIS A 102 -13.364 -12.706 3.140 1.00 2.13 H new ATOM 0 HD2 HIS A 102 -15.001 -15.946 3.703 1.00 42.15 H new ATOM 0 HE1 HIS A 102 -15.885 -15.325 -0.335 1.00 2.51 H new ATOM 0 HE2 HIS A 102 -16.369 -16.735 1.719 1.00 34.54 H new ATOM 1591 N CYS A 103 -10.509 -12.072 3.541 1.00 12.43 N ATOM 1592 CA CYS A 103 -9.589 -11.230 4.346 1.00 24.13 C ATOM 1593 C CYS A 103 -9.914 -9.732 4.202 1.00 21.45 C ATOM 1594 O CYS A 103 -10.827 -9.350 3.473 1.00 2.32 O ATOM 1595 CB CYS A 103 -8.125 -11.497 3.926 1.00 42.32 C ATOM 1596 SG CYS A 103 -7.759 -11.096 2.205 1.00 21.25 S ATOM 0 H CYS A 103 -10.898 -11.594 2.728 1.00 12.43 H new ATOM 0 HA CYS A 103 -9.723 -11.499 5.394 1.00 24.13 H new ATOM 0 HB2 CYS A 103 -7.463 -10.918 4.570 1.00 42.32 H new ATOM 0 HB3 CYS A 103 -7.896 -12.549 4.098 1.00 42.32 H new ATOM 0 HG CYS A 103 -6.533 -11.432 1.932 1.00 21.25 H new ATOM 1602 N THR A 104 -9.161 -8.895 4.937 1.00 64.13 N ATOM 1603 CA THR A 104 -9.239 -7.424 4.845 1.00 22.45 C ATOM 1604 C THR A 104 -7.824 -6.826 4.775 1.00 1.42 C ATOM 1605 O THR A 104 -7.078 -6.876 5.752 1.00 31.43 O ATOM 1606 CB THR A 104 -10.025 -6.792 6.048 1.00 72.42 C ATOM 1607 OG1 THR A 104 -11.386 -7.258 6.035 1.00 42.04 O ATOM 1608 CG2 THR A 104 -10.019 -5.246 6.015 1.00 54.32 C ATOM 0 H THR A 104 -8.475 -9.222 5.618 1.00 64.13 H new ATOM 0 HA THR A 104 -9.788 -7.185 3.934 1.00 22.45 H new ATOM 0 HB THR A 104 -9.519 -7.105 6.961 1.00 72.42 H new ATOM 0 HG1 THR A 104 -11.969 -6.555 5.681 1.00 42.04 H new ATOM 0 HG21 THR A 104 -10.576 -4.862 6.869 1.00 54.32 H new ATOM 0 HG22 THR A 104 -8.991 -4.885 6.060 1.00 54.32 H new ATOM 0 HG23 THR A 104 -10.485 -4.900 5.092 1.00 54.32 H new ATOM 1616 N VAL A 105 -7.464 -6.250 3.615 1.00 4.34 N ATOM 1617 CA VAL A 105 -6.141 -5.627 3.408 1.00 31.15 C ATOM 1618 C VAL A 105 -6.212 -4.134 3.783 1.00 51.21 C ATOM 1619 O VAL A 105 -6.957 -3.360 3.168 1.00 12.41 O ATOM 1620 CB VAL A 105 -5.640 -5.790 1.927 1.00 45.05 C ATOM 1621 CG1 VAL A 105 -4.227 -5.172 1.727 1.00 3.33 C ATOM 1622 CG2 VAL A 105 -5.654 -7.276 1.509 1.00 25.14 C ATOM 0 H VAL A 105 -8.075 -6.202 2.799 1.00 4.34 H new ATOM 0 HA VAL A 105 -5.424 -6.137 4.051 1.00 31.15 H new ATOM 0 HB VAL A 105 -6.329 -5.243 1.283 1.00 45.05 H new ATOM 0 HG11 VAL A 105 -3.915 -5.304 0.691 1.00 3.33 H new ATOM 0 HG12 VAL A 105 -4.258 -4.108 1.963 1.00 3.33 H new ATOM 0 HG13 VAL A 105 -3.516 -5.669 2.386 1.00 3.33 H new ATOM 0 HG21 VAL A 105 -5.304 -7.368 0.481 1.00 25.14 H new ATOM 0 HG22 VAL A 105 -4.999 -7.845 2.168 1.00 25.14 H new ATOM 0 HG23 VAL A 105 -6.669 -7.665 1.583 1.00 25.14 H new ATOM 1632 N VAL A 106 -5.442 -3.750 4.808 1.00 41.43 N ATOM 1633 CA VAL A 106 -5.399 -2.377 5.328 1.00 3.40 C ATOM 1634 C VAL A 106 -4.151 -1.653 4.772 1.00 75.12 C ATOM 1635 O VAL A 106 -3.025 -1.937 5.190 1.00 23.10 O ATOM 1636 CB VAL A 106 -5.376 -2.367 6.907 1.00 14.02 C ATOM 1637 CG1 VAL A 106 -5.440 -0.922 7.476 1.00 64.33 C ATOM 1638 CG2 VAL A 106 -6.511 -3.250 7.490 1.00 32.53 C ATOM 0 H VAL A 106 -4.824 -4.391 5.306 1.00 41.43 H new ATOM 0 HA VAL A 106 -6.299 -1.854 5.003 1.00 3.40 H new ATOM 0 HB VAL A 106 -4.424 -2.796 7.219 1.00 14.02 H new ATOM 0 HG11 VAL A 106 -5.422 -0.959 8.565 1.00 64.33 H new ATOM 0 HG12 VAL A 106 -4.583 -0.352 7.118 1.00 64.33 H new ATOM 0 HG13 VAL A 106 -6.360 -0.441 7.144 1.00 64.33 H new ATOM 0 HG21 VAL A 106 -6.470 -3.223 8.579 1.00 32.53 H new ATOM 0 HG22 VAL A 106 -7.476 -2.871 7.154 1.00 32.53 H new ATOM 0 HG23 VAL A 106 -6.386 -4.277 7.147 1.00 32.53 H new ATOM 1648 N TRP A 107 -4.361 -0.736 3.813 1.00 64.04 N ATOM 1649 CA TRP A 107 -3.282 0.093 3.240 1.00 34.44 C ATOM 1650 C TRP A 107 -3.379 1.505 3.856 1.00 11.34 C ATOM 1651 O TRP A 107 -4.374 2.213 3.671 1.00 33.14 O ATOM 1652 CB TRP A 107 -3.393 0.140 1.691 1.00 44.55 C ATOM 1653 CG TRP A 107 -2.174 0.670 0.952 1.00 51.23 C ATOM 1654 CD1 TRP A 107 -0.945 0.997 1.473 1.00 33.43 C ATOM 1655 CD2 TRP A 107 -2.080 0.915 -0.459 1.00 22.34 C ATOM 1656 NE1 TRP A 107 -0.108 1.416 0.475 1.00 4.11 N ATOM 1657 CE2 TRP A 107 -0.778 1.379 -0.719 1.00 4.25 C ATOM 1658 CE3 TRP A 107 -2.974 0.780 -1.528 1.00 0.23 C ATOM 1659 CZ2 TRP A 107 -0.346 1.717 -2.000 1.00 71.52 C ATOM 1660 CZ3 TRP A 107 -2.548 1.120 -2.799 1.00 62.31 C ATOM 1661 CH2 TRP A 107 -1.241 1.580 -3.027 1.00 44.40 C ATOM 0 H TRP A 107 -5.280 -0.547 3.413 1.00 64.04 H new ATOM 0 HA TRP A 107 -2.309 -0.338 3.476 1.00 34.44 H new ATOM 0 HB2 TRP A 107 -3.602 -0.867 1.331 1.00 44.55 H new ATOM 0 HB3 TRP A 107 -4.251 0.758 1.426 1.00 44.55 H new ATOM 0 HD1 TRP A 107 -0.679 0.933 2.518 1.00 33.43 H new ATOM 0 HE1 TRP A 107 0.861 1.709 0.600 1.00 4.11 H new ATOM 0 HE3 TRP A 107 -3.978 0.417 -1.363 1.00 0.23 H new ATOM 0 HZ2 TRP A 107 0.658 2.074 -2.176 1.00 71.52 H new ATOM 0 HZ3 TRP A 107 -3.232 1.030 -3.630 1.00 62.31 H new ATOM 0 HH2 TRP A 107 -0.936 1.831 -4.032 1.00 44.40 H new ATOM 1672 N THR A 108 -2.334 1.899 4.589 1.00 61.24 N ATOM 1673 CA THR A 108 -2.317 3.139 5.393 1.00 21.41 C ATOM 1674 C THR A 108 -1.083 3.989 5.023 1.00 34.45 C ATOM 1675 O THR A 108 -0.087 3.454 4.564 1.00 4.11 O ATOM 1676 CB THR A 108 -2.301 2.793 6.928 1.00 24.35 C ATOM 1677 OG1 THR A 108 -3.402 1.919 7.238 1.00 65.33 O ATOM 1678 CG2 THR A 108 -2.370 4.044 7.838 1.00 61.25 C ATOM 0 H THR A 108 -1.466 1.367 4.646 1.00 61.24 H new ATOM 0 HA THR A 108 -3.218 3.713 5.177 1.00 21.41 H new ATOM 0 HB THR A 108 -1.348 2.304 7.129 1.00 24.35 H new ATOM 0 HG1 THR A 108 -3.389 1.703 8.194 1.00 65.33 H new ATOM 0 HG21 THR A 108 -2.355 3.735 8.883 1.00 61.25 H new ATOM 0 HG22 THR A 108 -1.513 4.687 7.638 1.00 61.25 H new ATOM 0 HG23 THR A 108 -3.290 4.592 7.635 1.00 61.25 H new ATOM 1686 N ALA A 109 -1.187 5.313 5.200 1.00 42.45 N ATOM 1687 CA ALA A 109 -0.096 6.283 5.001 1.00 13.15 C ATOM 1688 C ALA A 109 -0.145 7.350 6.110 1.00 13.52 C ATOM 1689 O ALA A 109 -1.191 7.577 6.709 1.00 73.23 O ATOM 1690 CB ALA A 109 -0.185 6.948 3.613 1.00 40.33 C ATOM 0 H ALA A 109 -2.058 5.754 5.495 1.00 42.45 H new ATOM 0 HA ALA A 109 0.853 5.750 5.052 1.00 13.15 H new ATOM 0 HB1 ALA A 109 0.634 7.658 3.497 1.00 40.33 H new ATOM 0 HB2 ALA A 109 -0.115 6.184 2.838 1.00 40.33 H new ATOM 0 HB3 ALA A 109 -1.136 7.472 3.521 1.00 40.33 H new ATOM 1696 N MET A 110 1.007 7.974 6.387 1.00 43.11 N ATOM 1697 CA MET A 110 1.143 9.059 7.387 1.00 14.02 C ATOM 1698 C MET A 110 2.467 9.813 7.158 1.00 30.41 C ATOM 1699 O MET A 110 3.545 9.215 7.147 1.00 20.31 O ATOM 1700 CB MET A 110 1.037 8.500 8.839 1.00 2.45 C ATOM 1701 CG MET A 110 1.843 7.224 9.093 1.00 54.02 C ATOM 1702 SD MET A 110 1.501 6.495 10.707 1.00 0.11 S ATOM 1703 CE MET A 110 2.410 4.955 10.582 1.00 14.02 C ATOM 0 H MET A 110 1.885 7.743 5.922 1.00 43.11 H new ATOM 0 HA MET A 110 0.322 9.765 7.261 1.00 14.02 H new ATOM 0 HB2 MET A 110 1.371 9.269 9.535 1.00 2.45 H new ATOM 0 HB3 MET A 110 -0.011 8.302 9.062 1.00 2.45 H new ATOM 0 HG2 MET A 110 1.617 6.495 8.314 1.00 54.02 H new ATOM 0 HG3 MET A 110 2.907 7.450 9.019 1.00 54.02 H new ATOM 0 HE1 MET A 110 2.296 4.389 11.507 1.00 14.02 H new ATOM 0 HE2 MET A 110 2.022 4.370 9.748 1.00 14.02 H new ATOM 0 HE3 MET A 110 3.466 5.168 10.415 1.00 14.02 H new ATOM 1713 N PHE A 111 2.370 11.136 7.014 1.00 44.12 N ATOM 1714 CA PHE A 111 3.466 11.980 6.480 1.00 13.23 C ATOM 1715 C PHE A 111 3.570 13.327 7.219 1.00 34.03 C ATOM 1716 O PHE A 111 2.593 13.807 7.803 1.00 62.54 O ATOM 1717 CB PHE A 111 3.276 12.186 4.945 1.00 62.55 C ATOM 1718 CG PHE A 111 1.831 12.449 4.497 1.00 75.13 C ATOM 1719 CD1 PHE A 111 1.191 13.658 4.777 1.00 13.21 C ATOM 1720 CD2 PHE A 111 1.109 11.479 3.793 1.00 42.45 C ATOM 1721 CE1 PHE A 111 -0.108 13.885 4.376 1.00 75.41 C ATOM 1722 CE2 PHE A 111 -0.192 11.710 3.392 1.00 34.32 C ATOM 1723 CZ PHE A 111 -0.799 12.913 3.683 1.00 72.51 C ATOM 0 H PHE A 111 1.532 11.663 7.262 1.00 44.12 H new ATOM 0 HA PHE A 111 4.409 11.460 6.651 1.00 13.23 H new ATOM 0 HB2 PHE A 111 3.897 13.024 4.627 1.00 62.55 H new ATOM 0 HB3 PHE A 111 3.645 11.301 4.427 1.00 62.55 H new ATOM 0 HD1 PHE A 111 1.723 14.428 5.317 1.00 13.21 H new ATOM 0 HD2 PHE A 111 1.577 10.534 3.559 1.00 42.45 H new ATOM 0 HE1 PHE A 111 -0.586 14.826 4.605 1.00 75.41 H new ATOM 0 HE2 PHE A 111 -0.734 10.949 2.851 1.00 34.32 H new ATOM 0 HZ PHE A 111 -1.816 13.094 3.368 1.00 72.51 H new ATOM 1733 N ASP A 112 4.771 13.927 7.180 1.00 43.52 N ATOM 1734 CA ASP A 112 5.029 15.241 7.784 1.00 64.24 C ATOM 1735 C ASP A 112 4.641 16.370 6.800 1.00 33.40 C ATOM 1736 O ASP A 112 5.450 16.813 5.970 1.00 34.23 O ATOM 1737 CB ASP A 112 6.509 15.338 8.229 1.00 74.44 C ATOM 1738 CG ASP A 112 6.824 16.612 9.022 1.00 22.11 C ATOM 1739 OD1 ASP A 112 6.247 16.788 10.115 1.00 70.25 O ATOM 1740 OD2 ASP A 112 7.647 17.437 8.569 1.00 1.20 O ATOM 0 H ASP A 112 5.588 13.514 6.729 1.00 43.52 H new ATOM 0 HA ASP A 112 4.410 15.360 8.673 1.00 64.24 H new ATOM 0 HB2 ASP A 112 6.755 14.469 8.839 1.00 74.44 H new ATOM 0 HB3 ASP A 112 7.149 15.300 7.348 1.00 74.44 H new ATOM 1745 N CYS A 113 3.355 16.750 6.854 1.00 45.45 N ATOM 1746 CA CYS A 113 2.793 17.881 6.073 1.00 3.02 C ATOM 1747 C CYS A 113 1.687 18.609 6.875 1.00 62.12 C ATOM 1748 O CYS A 113 1.175 18.081 7.868 1.00 3.53 O ATOM 1749 CB CYS A 113 2.231 17.363 4.729 1.00 54.34 C ATOM 1750 SG CYS A 113 1.661 18.650 3.596 1.00 14.10 S ATOM 0 H CYS A 113 2.665 16.283 7.442 1.00 45.45 H new ATOM 0 HA CYS A 113 3.591 18.596 5.874 1.00 3.02 H new ATOM 0 HB2 CYS A 113 3.003 16.777 4.231 1.00 54.34 H new ATOM 0 HB3 CYS A 113 1.401 16.687 4.935 1.00 54.34 H new ATOM 0 HG CYS A 113 2.601 18.922 2.740 1.00 14.10 H new ATOM 1756 N SER A 114 1.319 19.822 6.414 1.00 64.14 N ATOM 1757 CA SER A 114 0.269 20.658 7.064 1.00 31.34 C ATOM 1758 C SER A 114 -1.140 20.030 6.910 1.00 4.02 C ATOM 1759 O SER A 114 -1.403 19.379 5.901 1.00 32.40 O ATOM 1760 CB SER A 114 0.257 22.080 6.454 1.00 51.51 C ATOM 1761 OG SER A 114 -0.202 22.075 5.108 1.00 24.41 O ATOM 0 H SER A 114 1.733 20.254 5.588 1.00 64.14 H new ATOM 0 HA SER A 114 0.512 20.711 8.125 1.00 31.34 H new ATOM 0 HB2 SER A 114 -0.383 22.727 7.054 1.00 51.51 H new ATOM 0 HB3 SER A 114 1.262 22.501 6.494 1.00 51.51 H new ATOM 0 HG SER A 114 -0.197 22.990 4.757 1.00 24.41 H new ATOM 1767 N PRO A 115 -2.088 20.228 7.899 1.00 11.54 N ATOM 1768 CA PRO A 115 -3.494 19.729 7.771 1.00 72.11 C ATOM 1769 C PRO A 115 -4.270 20.403 6.596 1.00 32.31 C ATOM 1770 O PRO A 115 -5.260 19.855 6.089 1.00 41.05 O ATOM 1771 CB PRO A 115 -4.123 20.065 9.153 1.00 1.12 C ATOM 1772 CG PRO A 115 -3.289 21.196 9.684 1.00 14.30 C ATOM 1773 CD PRO A 115 -1.877 20.920 9.204 1.00 62.42 C ATOM 0 HA PRO A 115 -3.535 18.666 7.531 1.00 72.11 H new ATOM 0 HB2 PRO A 115 -5.168 20.357 9.052 1.00 1.12 H new ATOM 0 HB3 PRO A 115 -4.095 19.204 9.821 1.00 1.12 H new ATOM 0 HG2 PRO A 115 -3.649 22.156 9.314 1.00 14.30 H new ATOM 0 HG3 PRO A 115 -3.332 21.238 10.772 1.00 14.30 H new ATOM 0 HD2 PRO A 115 -1.306 21.841 9.084 1.00 62.42 H new ATOM 0 HD3 PRO A 115 -1.328 20.294 9.907 1.00 62.42 H new ATOM 1781 N GLU A 116 -3.797 21.600 6.182 1.00 71.04 N ATOM 1782 CA GLU A 116 -4.333 22.346 5.018 1.00 74.32 C ATOM 1783 C GLU A 116 -4.071 21.587 3.694 1.00 1.30 C ATOM 1784 O GLU A 116 -4.947 21.495 2.832 1.00 10.21 O ATOM 1785 CB GLU A 116 -3.689 23.759 4.944 1.00 71.23 C ATOM 1786 CG GLU A 116 -3.786 24.576 6.243 1.00 1.11 C ATOM 1787 CD GLU A 116 -3.230 26.008 6.100 1.00 70.33 C ATOM 1788 OE1 GLU A 116 -1.999 26.162 5.948 1.00 30.02 O ATOM 1789 OE2 GLU A 116 -4.017 26.979 6.139 1.00 71.05 O ATOM 0 H GLU A 116 -3.027 22.080 6.649 1.00 71.04 H new ATOM 0 HA GLU A 116 -5.410 22.442 5.152 1.00 74.32 H new ATOM 0 HB2 GLU A 116 -2.638 23.651 4.676 1.00 71.23 H new ATOM 0 HB3 GLU A 116 -4.167 24.320 4.141 1.00 71.23 H new ATOM 0 HG2 GLU A 116 -4.829 24.627 6.556 1.00 1.11 H new ATOM 0 HG3 GLU A 116 -3.241 24.058 7.032 1.00 1.11 H new ATOM 1796 N THR A 117 -2.845 21.052 3.544 1.00 2.32 N ATOM 1797 CA THR A 117 -2.445 20.263 2.351 1.00 41.22 C ATOM 1798 C THR A 117 -2.872 18.780 2.495 1.00 44.52 C ATOM 1799 O THR A 117 -3.201 18.122 1.507 1.00 65.41 O ATOM 1800 CB THR A 117 -0.896 20.350 2.110 1.00 62.51 C ATOM 1801 OG1 THR A 117 -0.471 21.728 2.119 1.00 31.25 O ATOM 1802 CG2 THR A 117 -0.472 19.704 0.772 1.00 3.02 C ATOM 0 H THR A 117 -2.104 21.150 4.238 1.00 2.32 H new ATOM 0 HA THR A 117 -2.957 20.692 1.490 1.00 41.22 H new ATOM 0 HB THR A 117 -0.418 19.798 2.919 1.00 62.51 H new ATOM 0 HG1 THR A 117 -0.317 22.017 3.043 1.00 31.25 H new ATOM 0 HG21 THR A 117 0.608 19.790 0.652 1.00 3.02 H new ATOM 0 HG22 THR A 117 -0.754 18.651 0.771 1.00 3.02 H new ATOM 0 HG23 THR A 117 -0.970 20.214 -0.052 1.00 3.02 H new ATOM 1810 N ALA A 118 -2.899 18.276 3.751 1.00 55.14 N ATOM 1811 CA ALA A 118 -3.182 16.847 4.058 1.00 63.14 C ATOM 1812 C ALA A 118 -4.617 16.437 3.660 1.00 54.41 C ATOM 1813 O ALA A 118 -4.839 15.305 3.239 1.00 33.31 O ATOM 1814 CB ALA A 118 -2.935 16.556 5.550 1.00 62.00 C ATOM 0 H ALA A 118 -2.726 18.844 4.581 1.00 55.14 H new ATOM 0 HA ALA A 118 -2.496 16.248 3.459 1.00 63.14 H new ATOM 0 HB1 ALA A 118 -3.147 15.507 5.756 1.00 62.00 H new ATOM 0 HB2 ALA A 118 -1.895 16.771 5.795 1.00 62.00 H new ATOM 0 HB3 ALA A 118 -3.588 17.184 6.156 1.00 62.00 H new ATOM 1820 N ARG A 119 -5.576 17.378 3.786 1.00 62.23 N ATOM 1821 CA ARG A 119 -6.990 17.156 3.382 1.00 71.42 C ATOM 1822 C ARG A 119 -7.117 16.962 1.845 1.00 24.51 C ATOM 1823 O ARG A 119 -7.969 16.199 1.371 1.00 73.51 O ATOM 1824 CB ARG A 119 -7.882 18.331 3.863 1.00 51.13 C ATOM 1825 CG ARG A 119 -7.608 19.676 3.154 1.00 25.15 C ATOM 1826 CD ARG A 119 -8.360 20.859 3.780 1.00 62.55 C ATOM 1827 NE ARG A 119 -7.894 21.150 5.143 1.00 50.33 N ATOM 1828 CZ ARG A 119 -8.179 22.230 5.833 1.00 54.23 C ATOM 1829 NH1 ARG A 119 -8.974 23.147 5.368 1.00 21.01 N ATOM 1830 NH2 ARG A 119 -7.665 22.373 7.010 1.00 10.11 N ATOM 0 H ARG A 119 -5.399 18.308 4.167 1.00 62.23 H new ATOM 0 HA ARG A 119 -7.335 16.239 3.860 1.00 71.42 H new ATOM 0 HB2 ARG A 119 -8.927 18.062 3.713 1.00 51.13 H new ATOM 0 HB3 ARG A 119 -7.738 18.464 4.935 1.00 51.13 H new ATOM 0 HG2 ARG A 119 -6.538 19.881 3.180 1.00 25.15 H new ATOM 0 HG3 ARG A 119 -7.891 19.589 2.105 1.00 25.15 H new ATOM 0 HD2 ARG A 119 -8.229 21.743 3.156 1.00 62.55 H new ATOM 0 HD3 ARG A 119 -9.427 20.639 3.801 1.00 62.55 H new ATOM 0 HE ARG A 119 -7.298 20.454 5.591 1.00 50.33 H new ATOM 0 HH11 ARG A 119 -9.394 23.038 4.445 1.00 21.01 H new ATOM 0 HH12 ARG A 119 -9.178 23.976 5.926 1.00 21.01 H new ATOM 0 HH21 ARG A 119 -7.049 21.653 7.388 1.00 10.11 H new ATOM 0 HH22 ARG A 119 -7.875 23.206 7.561 1.00 10.11 H new ATOM 1844 N GLU A 120 -6.252 17.666 1.087 1.00 21.03 N ATOM 1845 CA GLU A 120 -6.142 17.523 -0.382 1.00 72.34 C ATOM 1846 C GLU A 120 -5.508 16.159 -0.733 1.00 40.50 C ATOM 1847 O GLU A 120 -5.922 15.484 -1.671 1.00 75.23 O ATOM 1848 CB GLU A 120 -5.289 18.688 -0.956 1.00 33.24 C ATOM 1849 CG GLU A 120 -5.048 18.633 -2.475 1.00 21.15 C ATOM 1850 CD GLU A 120 -4.218 19.815 -3.004 1.00 52.41 C ATOM 1851 OE1 GLU A 120 -4.793 20.899 -3.251 1.00 50.24 O ATOM 1852 OE2 GLU A 120 -2.990 19.670 -3.182 1.00 61.31 O ATOM 0 H GLU A 120 -5.607 18.353 1.477 1.00 21.03 H new ATOM 0 HA GLU A 120 -7.136 17.564 -0.827 1.00 72.34 H new ATOM 0 HB2 GLU A 120 -5.781 19.631 -0.716 1.00 33.24 H new ATOM 0 HB3 GLU A 120 -4.323 18.694 -0.450 1.00 33.24 H new ATOM 0 HG2 GLU A 120 -4.538 17.701 -2.721 1.00 21.15 H new ATOM 0 HG3 GLU A 120 -6.010 18.615 -2.988 1.00 21.15 H new ATOM 1859 N LEU A 121 -4.516 15.762 0.079 1.00 71.32 N ATOM 1860 CA LEU A 121 -3.795 14.487 -0.078 1.00 20.53 C ATOM 1861 C LEU A 121 -4.674 13.277 0.316 1.00 63.31 C ATOM 1862 O LEU A 121 -4.440 12.174 -0.165 1.00 63.20 O ATOM 1863 CB LEU A 121 -2.483 14.536 0.739 1.00 35.02 C ATOM 1864 CG LEU A 121 -1.455 15.610 0.260 1.00 2.55 C ATOM 1865 CD1 LEU A 121 -0.274 15.748 1.239 1.00 2.23 C ATOM 1866 CD2 LEU A 121 -0.965 15.303 -1.173 1.00 52.50 C ATOM 0 H LEU A 121 -4.189 16.319 0.868 1.00 71.32 H new ATOM 0 HA LEU A 121 -3.547 14.351 -1.131 1.00 20.53 H new ATOM 0 HB2 LEU A 121 -2.728 14.728 1.783 1.00 35.02 H new ATOM 0 HB3 LEU A 121 -2.009 13.555 0.698 1.00 35.02 H new ATOM 0 HG LEU A 121 -1.969 16.571 0.242 1.00 2.55 H new ATOM 0 HD11 LEU A 121 0.418 16.505 0.870 1.00 2.23 H new ATOM 0 HD12 LEU A 121 -0.647 16.045 2.219 1.00 2.23 H new ATOM 0 HD13 LEU A 121 0.244 14.792 1.322 1.00 2.23 H new ATOM 0 HD21 LEU A 121 -0.250 16.065 -1.484 1.00 52.50 H new ATOM 0 HD22 LEU A 121 -0.484 14.325 -1.191 1.00 52.50 H new ATOM 0 HD23 LEU A 121 -1.815 15.302 -1.856 1.00 52.50 H new ATOM 1878 N GLU A 122 -5.690 13.487 1.187 1.00 44.34 N ATOM 1879 CA GLU A 122 -6.710 12.447 1.482 1.00 43.13 C ATOM 1880 C GLU A 122 -7.491 12.081 0.200 1.00 40.51 C ATOM 1881 O GLU A 122 -7.819 10.916 -0.023 1.00 52.23 O ATOM 1882 CB GLU A 122 -7.696 12.908 2.596 1.00 43.12 C ATOM 1883 CG GLU A 122 -7.065 13.105 3.988 1.00 12.52 C ATOM 1884 CD GLU A 122 -8.094 13.494 5.066 1.00 72.21 C ATOM 1885 OE1 GLU A 122 -8.562 14.653 5.060 1.00 3.45 O ATOM 1886 OE2 GLU A 122 -8.464 12.639 5.903 1.00 41.42 O ATOM 0 H GLU A 122 -5.826 14.361 1.696 1.00 44.34 H new ATOM 0 HA GLU A 122 -6.184 11.564 1.846 1.00 43.13 H new ATOM 0 HB2 GLU A 122 -8.156 13.847 2.287 1.00 43.12 H new ATOM 0 HB3 GLU A 122 -8.496 12.173 2.678 1.00 43.12 H new ATOM 0 HG2 GLU A 122 -6.564 12.184 4.287 1.00 12.52 H new ATOM 0 HG3 GLU A 122 -6.300 13.879 3.928 1.00 12.52 H new ATOM 1893 N SER A 123 -7.787 13.104 -0.617 1.00 11.22 N ATOM 1894 CA SER A 123 -8.401 12.932 -1.956 1.00 1.11 C ATOM 1895 C SER A 123 -7.442 12.215 -2.953 1.00 1.31 C ATOM 1896 O SER A 123 -7.798 11.193 -3.534 1.00 35.14 O ATOM 1897 CB SER A 123 -8.805 14.315 -2.525 1.00 33.13 C ATOM 1898 OG SER A 123 -9.600 15.050 -1.609 1.00 53.55 O ATOM 0 H SER A 123 -7.609 14.078 -0.373 1.00 11.22 H new ATOM 0 HA SER A 123 -9.283 12.303 -1.836 1.00 1.11 H new ATOM 0 HB2 SER A 123 -7.908 14.885 -2.766 1.00 33.13 H new ATOM 0 HB3 SER A 123 -9.356 14.178 -3.456 1.00 33.13 H new ATOM 0 HG SER A 123 -9.834 15.917 -2.001 1.00 53.55 H new ATOM 1904 N VAL A 124 -6.228 12.778 -3.135 1.00 4.32 N ATOM 1905 CA VAL A 124 -5.246 12.306 -4.157 1.00 53.34 C ATOM 1906 C VAL A 124 -4.664 10.901 -3.827 1.00 24.13 C ATOM 1907 O VAL A 124 -4.728 9.972 -4.636 1.00 15.04 O ATOM 1908 CB VAL A 124 -4.058 13.340 -4.293 1.00 62.54 C ATOM 1909 CG1 VAL A 124 -3.031 12.905 -5.374 1.00 71.13 C ATOM 1910 CG2 VAL A 124 -4.583 14.768 -4.577 1.00 61.44 C ATOM 0 H VAL A 124 -5.894 13.569 -2.585 1.00 4.32 H new ATOM 0 HA VAL A 124 -5.790 12.228 -5.098 1.00 53.34 H new ATOM 0 HB VAL A 124 -3.539 13.354 -3.335 1.00 62.54 H new ATOM 0 HG11 VAL A 124 -2.232 13.644 -5.435 1.00 71.13 H new ATOM 0 HG12 VAL A 124 -2.610 11.936 -5.107 1.00 71.13 H new ATOM 0 HG13 VAL A 124 -3.530 12.830 -6.340 1.00 71.13 H new ATOM 0 HG21 VAL A 124 -3.741 15.454 -4.665 1.00 61.44 H new ATOM 0 HG22 VAL A 124 -5.150 14.769 -5.508 1.00 61.44 H new ATOM 0 HG23 VAL A 124 -5.228 15.088 -3.759 1.00 61.44 H new ATOM 1920 N ILE A 125 -4.100 10.780 -2.623 1.00 12.50 N ATOM 1921 CA ILE A 125 -3.408 9.557 -2.164 1.00 11.52 C ATOM 1922 C ILE A 125 -4.421 8.510 -1.626 1.00 60.45 C ATOM 1923 O ILE A 125 -4.494 7.402 -2.143 1.00 44.24 O ATOM 1924 CB ILE A 125 -2.335 9.917 -1.062 1.00 65.43 C ATOM 1925 CG1 ILE A 125 -1.302 10.959 -1.615 1.00 32.53 C ATOM 1926 CG2 ILE A 125 -1.622 8.656 -0.503 1.00 51.14 C ATOM 1927 CD1 ILE A 125 -0.273 11.454 -0.602 1.00 20.44 C ATOM 0 H ILE A 125 -4.107 11.528 -1.930 1.00 12.50 H new ATOM 0 HA ILE A 125 -2.895 9.114 -3.017 1.00 11.52 H new ATOM 0 HB ILE A 125 -2.866 10.372 -0.226 1.00 65.43 H new ATOM 0 HG12 ILE A 125 -0.773 10.511 -2.457 1.00 32.53 H new ATOM 0 HG13 ILE A 125 -1.849 11.818 -2.003 1.00 32.53 H new ATOM 0 HG21 ILE A 125 -0.894 8.954 0.251 1.00 51.14 H new ATOM 0 HG22 ILE A 125 -2.359 7.991 -0.053 1.00 51.14 H new ATOM 0 HG23 ILE A 125 -1.112 8.137 -1.314 1.00 51.14 H new ATOM 0 HD11 ILE A 125 0.395 12.170 -1.082 1.00 20.44 H new ATOM 0 HD12 ILE A 125 -0.785 11.937 0.230 1.00 20.44 H new ATOM 0 HD13 ILE A 125 0.307 10.609 -0.230 1.00 20.44 H new ATOM 1939 N GLY A 126 -5.215 8.894 -0.602 1.00 25.31 N ATOM 1940 CA GLY A 126 -6.118 7.950 0.096 1.00 21.31 C ATOM 1941 C GLY A 126 -7.319 7.465 -0.735 1.00 10.44 C ATOM 1942 O GLY A 126 -7.580 6.261 -0.821 1.00 23.11 O ATOM 0 H GLY A 126 -5.249 9.847 -0.241 1.00 25.31 H new ATOM 0 HA2 GLY A 126 -5.539 7.082 0.411 1.00 21.31 H new ATOM 0 HA3 GLY A 126 -6.491 8.429 1.001 1.00 21.31 H new ATOM 1946 N ASP A 127 -8.048 8.408 -1.343 1.00 31.03 N ATOM 1947 CA ASP A 127 -9.267 8.107 -2.133 1.00 12.31 C ATOM 1948 C ASP A 127 -8.920 7.844 -3.618 1.00 2.15 C ATOM 1949 O ASP A 127 -9.665 7.161 -4.332 1.00 60.44 O ATOM 1950 CB ASP A 127 -10.279 9.272 -1.994 1.00 13.12 C ATOM 1951 CG ASP A 127 -11.652 8.962 -2.611 1.00 2.04 C ATOM 1952 OD1 ASP A 127 -12.309 7.998 -2.159 1.00 55.22 O ATOM 1953 OD2 ASP A 127 -12.089 9.681 -3.531 1.00 44.01 O ATOM 0 H ASP A 127 -7.818 9.401 -1.307 1.00 31.03 H new ATOM 0 HA ASP A 127 -9.722 7.197 -1.742 1.00 12.31 H new ATOM 0 HB2 ASP A 127 -10.408 9.508 -0.938 1.00 13.12 H new ATOM 0 HB3 ASP A 127 -9.867 10.161 -2.471 1.00 13.12 H new ATOM 1958 N GLY A 128 -7.792 8.408 -4.069 1.00 0.21 N ATOM 1959 CA GLY A 128 -7.268 8.136 -5.405 1.00 4.10 C ATOM 1960 C GLY A 128 -6.470 6.832 -5.454 1.00 20.21 C ATOM 1961 O GLY A 128 -7.043 5.768 -5.665 1.00 64.24 O ATOM 0 H GLY A 128 -7.226 9.057 -3.522 1.00 0.21 H new ATOM 0 HA2 GLY A 128 -8.094 8.082 -6.114 1.00 4.10 H new ATOM 0 HA3 GLY A 128 -6.631 8.963 -5.720 1.00 4.10 H new ATOM 1965 N VAL A 129 -5.159 6.927 -5.171 1.00 31.34 N ATOM 1966 CA VAL A 129 -4.182 5.810 -5.306 1.00 20.13 C ATOM 1967 C VAL A 129 -4.580 4.538 -4.494 1.00 4.13 C ATOM 1968 O VAL A 129 -4.557 3.415 -5.018 1.00 33.43 O ATOM 1969 CB VAL A 129 -2.751 6.299 -4.853 1.00 33.13 C ATOM 1970 CG1 VAL A 129 -1.680 5.181 -4.969 1.00 4.25 C ATOM 1971 CG2 VAL A 129 -2.315 7.564 -5.643 1.00 14.33 C ATOM 0 H VAL A 129 -4.733 7.791 -4.836 1.00 31.34 H new ATOM 0 HA VAL A 129 -4.177 5.524 -6.358 1.00 20.13 H new ATOM 0 HB VAL A 129 -2.829 6.561 -3.798 1.00 33.13 H new ATOM 0 HG11 VAL A 129 -0.714 5.568 -4.646 1.00 4.25 H new ATOM 0 HG12 VAL A 129 -1.963 4.339 -4.338 1.00 4.25 H new ATOM 0 HG13 VAL A 129 -1.610 4.850 -6.005 1.00 4.25 H new ATOM 0 HG21 VAL A 129 -1.326 7.878 -5.310 1.00 14.33 H new ATOM 0 HG22 VAL A 129 -2.283 7.335 -6.708 1.00 14.33 H new ATOM 0 HG23 VAL A 129 -3.030 8.368 -5.466 1.00 14.33 H new ATOM 1981 N PHE A 130 -4.963 4.741 -3.224 1.00 20.20 N ATOM 1982 CA PHE A 130 -5.187 3.638 -2.260 1.00 40.23 C ATOM 1983 C PHE A 130 -6.534 2.937 -2.485 1.00 25.22 C ATOM 1984 O PHE A 130 -6.581 1.706 -2.534 1.00 13.23 O ATOM 1985 CB PHE A 130 -5.078 4.141 -0.785 1.00 54.23 C ATOM 1986 CG PHE A 130 -3.662 4.435 -0.274 1.00 15.31 C ATOM 1987 CD1 PHE A 130 -2.629 4.802 -1.138 1.00 73.01 C ATOM 1988 CD2 PHE A 130 -3.369 4.331 1.086 1.00 4.14 C ATOM 1989 CE1 PHE A 130 -1.357 5.053 -0.660 1.00 71.31 C ATOM 1990 CE2 PHE A 130 -2.099 4.579 1.560 1.00 41.21 C ATOM 1991 CZ PHE A 130 -1.093 4.939 0.688 1.00 53.12 C ATOM 0 H PHE A 130 -5.127 5.668 -2.832 1.00 20.20 H new ATOM 0 HA PHE A 130 -4.399 2.906 -2.437 1.00 40.23 H new ATOM 0 HB2 PHE A 130 -5.673 5.049 -0.688 1.00 54.23 H new ATOM 0 HB3 PHE A 130 -5.529 3.393 -0.133 1.00 54.23 H new ATOM 0 HD1 PHE A 130 -2.827 4.891 -2.196 1.00 73.01 H new ATOM 0 HD2 PHE A 130 -4.150 4.052 1.778 1.00 4.14 H new ATOM 0 HE1 PHE A 130 -0.570 5.338 -1.342 1.00 71.31 H new ATOM 0 HE2 PHE A 130 -1.891 4.491 2.616 1.00 41.21 H new ATOM 0 HZ PHE A 130 -0.098 5.132 1.061 1.00 53.12 H new ATOM 2001 N ALA A 131 -7.626 3.723 -2.580 1.00 71.20 N ATOM 2002 CA ALA A 131 -8.972 3.171 -2.876 1.00 45.13 C ATOM 2003 C ALA A 131 -8.967 2.376 -4.200 1.00 71.31 C ATOM 2004 O ALA A 131 -9.446 1.251 -4.244 1.00 0.23 O ATOM 2005 CB ALA A 131 -10.031 4.284 -2.904 1.00 52.23 C ATOM 0 H ALA A 131 -7.607 4.735 -2.458 1.00 71.20 H new ATOM 0 HA ALA A 131 -9.234 2.481 -2.074 1.00 45.13 H new ATOM 0 HB1 ALA A 131 -11.007 3.852 -3.123 1.00 52.23 H new ATOM 0 HB2 ALA A 131 -10.063 4.780 -1.934 1.00 52.23 H new ATOM 0 HB3 ALA A 131 -9.775 5.011 -3.675 1.00 52.23 H new ATOM 2011 N VAL A 132 -8.357 2.954 -5.249 1.00 5.41 N ATOM 2012 CA VAL A 132 -8.167 2.275 -6.554 1.00 14.14 C ATOM 2013 C VAL A 132 -7.393 0.933 -6.407 1.00 12.14 C ATOM 2014 O VAL A 132 -7.841 -0.101 -6.914 1.00 62.43 O ATOM 2015 CB VAL A 132 -7.422 3.224 -7.576 1.00 52.24 C ATOM 2016 CG1 VAL A 132 -6.765 2.446 -8.733 1.00 55.11 C ATOM 2017 CG2 VAL A 132 -8.383 4.299 -8.132 1.00 63.45 C ATOM 0 H VAL A 132 -7.981 3.902 -5.222 1.00 5.41 H new ATOM 0 HA VAL A 132 -9.159 2.044 -6.941 1.00 14.14 H new ATOM 0 HB VAL A 132 -6.623 3.714 -7.020 1.00 52.24 H new ATOM 0 HG11 VAL A 132 -6.267 3.145 -9.405 1.00 55.11 H new ATOM 0 HG12 VAL A 132 -6.033 1.746 -8.331 1.00 55.11 H new ATOM 0 HG13 VAL A 132 -7.529 1.896 -9.282 1.00 55.11 H new ATOM 0 HG21 VAL A 132 -7.847 4.939 -8.833 1.00 63.45 H new ATOM 0 HG22 VAL A 132 -9.213 3.814 -8.646 1.00 63.45 H new ATOM 0 HG23 VAL A 132 -8.768 4.903 -7.310 1.00 63.45 H new ATOM 2027 N GLY A 133 -6.246 0.980 -5.708 1.00 0.20 N ATOM 2028 CA GLY A 133 -5.375 -0.189 -5.547 1.00 32.24 C ATOM 2029 C GLY A 133 -6.051 -1.356 -4.817 1.00 63.32 C ATOM 2030 O GLY A 133 -6.026 -2.492 -5.291 1.00 3.12 O ATOM 0 H GLY A 133 -5.902 1.821 -5.245 1.00 0.20 H new ATOM 0 HA2 GLY A 133 -5.047 -0.526 -6.530 1.00 32.24 H new ATOM 0 HA3 GLY A 133 -4.482 0.106 -4.996 1.00 32.24 H new ATOM 2034 N LEU A 134 -6.685 -1.047 -3.676 1.00 61.20 N ATOM 2035 CA LEU A 134 -7.372 -2.041 -2.821 1.00 34.04 C ATOM 2036 C LEU A 134 -8.660 -2.604 -3.466 1.00 12.13 C ATOM 2037 O LEU A 134 -8.961 -3.793 -3.308 1.00 30.11 O ATOM 2038 CB LEU A 134 -7.693 -1.418 -1.440 1.00 5.41 C ATOM 2039 CG LEU A 134 -6.467 -1.102 -0.527 1.00 72.11 C ATOM 2040 CD1 LEU A 134 -6.934 -0.602 0.851 1.00 33.05 C ATOM 2041 CD2 LEU A 134 -5.531 -2.328 -0.399 1.00 21.44 C ATOM 0 H LEU A 134 -6.739 -0.095 -3.313 1.00 61.20 H new ATOM 0 HA LEU A 134 -6.690 -2.882 -2.699 1.00 34.04 H new ATOM 0 HB2 LEU A 134 -8.248 -0.494 -1.601 1.00 5.41 H new ATOM 0 HB3 LEU A 134 -8.355 -2.097 -0.903 1.00 5.41 H new ATOM 0 HG LEU A 134 -5.890 -0.305 -0.996 1.00 72.11 H new ATOM 0 HD11 LEU A 134 -6.065 -0.387 1.474 1.00 33.05 H new ATOM 0 HD12 LEU A 134 -7.526 0.305 0.728 1.00 33.05 H new ATOM 0 HD13 LEU A 134 -7.542 -1.370 1.330 1.00 33.05 H new ATOM 0 HD21 LEU A 134 -4.687 -2.076 0.243 1.00 21.44 H new ATOM 0 HD22 LEU A 134 -6.081 -3.162 0.036 1.00 21.44 H new ATOM 0 HD23 LEU A 134 -5.165 -2.611 -1.386 1.00 21.44 H new ATOM 2053 N ASN A 135 -9.414 -1.744 -4.180 1.00 65.53 N ATOM 2054 CA ASN A 135 -10.642 -2.172 -4.891 1.00 23.54 C ATOM 2055 C ASN A 135 -10.286 -3.131 -6.038 1.00 42.04 C ATOM 2056 O ASN A 135 -10.811 -4.232 -6.094 1.00 25.44 O ATOM 2057 CB ASN A 135 -11.447 -0.963 -5.428 1.00 51.54 C ATOM 2058 CG ASN A 135 -12.127 -0.155 -4.323 1.00 53.41 C ATOM 2059 OD1 ASN A 135 -12.522 -0.684 -3.286 1.00 64.34 O ATOM 2060 ND2 ASN A 135 -12.265 1.137 -4.535 1.00 22.31 N ATOM 0 H ASN A 135 -9.198 -0.752 -4.281 1.00 65.53 H new ATOM 0 HA ASN A 135 -11.275 -2.694 -4.173 1.00 23.54 H new ATOM 0 HB2 ASN A 135 -10.779 -0.309 -5.988 1.00 51.54 H new ATOM 0 HB3 ASN A 135 -12.204 -1.320 -6.127 1.00 51.54 H new ATOM 0 HD21 ASN A 135 -12.709 1.725 -3.830 1.00 22.31 H new ATOM 0 HD22 ASN A 135 -11.928 1.550 -5.405 1.00 22.31 H new ATOM 2067 N ALA A 136 -9.343 -2.718 -6.910 1.00 34.43 N ATOM 2068 CA ALA A 136 -8.870 -3.545 -8.055 1.00 42.11 C ATOM 2069 C ALA A 136 -8.240 -4.879 -7.580 1.00 23.54 C ATOM 2070 O ALA A 136 -8.300 -5.892 -8.282 1.00 10.24 O ATOM 2071 CB ALA A 136 -7.868 -2.746 -8.907 1.00 1.30 C ATOM 0 H ALA A 136 -8.886 -1.808 -6.847 1.00 34.43 H new ATOM 0 HA ALA A 136 -9.737 -3.795 -8.666 1.00 42.11 H new ATOM 0 HB1 ALA A 136 -7.529 -3.360 -9.741 1.00 1.30 H new ATOM 0 HB2 ALA A 136 -8.352 -1.848 -9.291 1.00 1.30 H new ATOM 0 HB3 ALA A 136 -7.013 -2.463 -8.293 1.00 1.30 H new ATOM 2077 N LEU A 137 -7.643 -4.853 -6.372 1.00 51.14 N ATOM 2078 CA LEU A 137 -7.099 -6.055 -5.705 1.00 63.24 C ATOM 2079 C LEU A 137 -8.257 -7.007 -5.286 1.00 71.14 C ATOM 2080 O LEU A 137 -8.203 -8.207 -5.529 1.00 42.12 O ATOM 2081 CB LEU A 137 -6.208 -5.611 -4.495 1.00 43.34 C ATOM 2082 CG LEU A 137 -5.359 -6.719 -3.765 1.00 21.30 C ATOM 2083 CD1 LEU A 137 -4.083 -6.126 -3.112 1.00 53.05 C ATOM 2084 CD2 LEU A 137 -6.181 -7.485 -2.705 1.00 20.40 C ATOM 0 H LEU A 137 -7.524 -3.997 -5.830 1.00 51.14 H new ATOM 0 HA LEU A 137 -6.467 -6.619 -6.391 1.00 63.24 H new ATOM 0 HB2 LEU A 137 -5.522 -4.841 -4.849 1.00 43.34 H new ATOM 0 HB3 LEU A 137 -6.857 -5.144 -3.754 1.00 43.34 H new ATOM 0 HG LEU A 137 -5.061 -7.427 -4.538 1.00 21.30 H new ATOM 0 HD11 LEU A 137 -3.524 -6.921 -2.618 1.00 53.05 H new ATOM 0 HD12 LEU A 137 -3.460 -5.668 -3.880 1.00 53.05 H new ATOM 0 HD13 LEU A 137 -4.367 -5.372 -2.378 1.00 53.05 H new ATOM 0 HD21 LEU A 137 -5.551 -8.237 -2.230 1.00 20.40 H new ATOM 0 HD22 LEU A 137 -6.543 -6.786 -1.951 1.00 20.40 H new ATOM 0 HD23 LEU A 137 -7.030 -7.972 -3.185 1.00 20.40 H new ATOM 2096 N ALA A 138 -9.313 -6.449 -4.680 1.00 23.35 N ATOM 2097 CA ALA A 138 -10.503 -7.234 -4.257 1.00 63.34 C ATOM 2098 C ALA A 138 -11.352 -7.716 -5.476 1.00 24.51 C ATOM 2099 O ALA A 138 -12.016 -8.761 -5.412 1.00 33.24 O ATOM 2100 CB ALA A 138 -11.358 -6.399 -3.296 1.00 64.30 C ATOM 0 H ALA A 138 -9.377 -5.454 -4.467 1.00 23.35 H new ATOM 0 HA ALA A 138 -10.151 -8.129 -3.744 1.00 63.34 H new ATOM 0 HB1 ALA A 138 -12.229 -6.977 -2.988 1.00 64.30 H new ATOM 0 HB2 ALA A 138 -10.768 -6.137 -2.418 1.00 64.30 H new ATOM 0 HB3 ALA A 138 -11.686 -5.489 -3.798 1.00 64.30 H new ATOM 2106 N GLU A 139 -11.298 -6.943 -6.585 1.00 33.22 N ATOM 2107 CA GLU A 139 -12.045 -7.227 -7.834 1.00 33.23 C ATOM 2108 C GLU A 139 -11.412 -8.392 -8.623 1.00 63.22 C ATOM 2109 O GLU A 139 -12.125 -9.286 -9.085 1.00 62.41 O ATOM 2110 CB GLU A 139 -12.132 -5.953 -8.733 1.00 3.55 C ATOM 2111 CG GLU A 139 -13.032 -4.829 -8.171 1.00 33.41 C ATOM 2112 CD GLU A 139 -13.040 -3.554 -9.040 1.00 3.43 C ATOM 2113 OE1 GLU A 139 -13.633 -3.581 -10.139 1.00 35.45 O ATOM 2114 OE2 GLU A 139 -12.480 -2.516 -8.619 1.00 31.51 O ATOM 0 H GLU A 139 -10.730 -6.097 -6.639 1.00 33.22 H new ATOM 0 HA GLU A 139 -13.054 -7.523 -7.546 1.00 33.23 H new ATOM 0 HB2 GLU A 139 -11.127 -5.557 -8.878 1.00 3.55 H new ATOM 0 HB3 GLU A 139 -12.505 -6.242 -9.715 1.00 3.55 H new ATOM 0 HG2 GLU A 139 -14.052 -5.203 -8.079 1.00 33.41 H new ATOM 0 HG3 GLU A 139 -12.695 -4.572 -7.167 1.00 33.41 H new ATOM 2121 N ARG A 140 -10.070 -8.378 -8.750 1.00 54.25 N ATOM 2122 CA ARG A 140 -9.317 -9.389 -9.542 1.00 34.23 C ATOM 2123 C ARG A 140 -9.459 -10.818 -8.953 1.00 10.30 C ATOM 2124 O ARG A 140 -9.384 -11.812 -9.681 1.00 53.22 O ATOM 2125 CB ARG A 140 -7.818 -8.986 -9.641 1.00 63.43 C ATOM 2126 CG ARG A 140 -7.035 -9.052 -8.308 1.00 52.01 C ATOM 2127 CD ARG A 140 -5.604 -8.498 -8.411 1.00 12.14 C ATOM 2128 NE ARG A 140 -4.802 -9.217 -9.425 1.00 32.15 N ATOM 2129 CZ ARG A 140 -4.195 -8.664 -10.458 1.00 14.24 C ATOM 2130 NH1 ARG A 140 -4.349 -7.406 -10.742 1.00 2.33 N ATOM 2131 NH2 ARG A 140 -3.468 -9.393 -11.233 1.00 41.33 N ATOM 0 H ARG A 140 -9.475 -7.674 -8.313 1.00 54.25 H new ATOM 0 HA ARG A 140 -9.749 -9.410 -10.542 1.00 34.23 H new ATOM 0 HB2 ARG A 140 -7.329 -9.638 -10.365 1.00 63.43 H new ATOM 0 HB3 ARG A 140 -7.755 -7.971 -10.032 1.00 63.43 H new ATOM 0 HG2 ARG A 140 -7.579 -8.492 -7.548 1.00 52.01 H new ATOM 0 HG3 ARG A 140 -6.992 -10.088 -7.971 1.00 52.01 H new ATOM 0 HD2 ARG A 140 -5.643 -7.439 -8.664 1.00 12.14 H new ATOM 0 HD3 ARG A 140 -5.115 -8.576 -7.440 1.00 12.14 H new ATOM 0 HE ARG A 140 -4.710 -10.227 -9.316 1.00 32.15 H new ATOM 0 HH11 ARG A 140 -4.950 -6.822 -10.161 1.00 2.33 H new ATOM 0 HH12 ARG A 140 -3.869 -7.002 -11.546 1.00 2.33 H new ATOM 0 HH21 ARG A 140 -3.365 -10.390 -11.046 1.00 41.33 H new ATOM 0 HH22 ARG A 140 -2.996 -8.973 -12.033 1.00 41.33 H new ATOM 2145 N TYR A 141 -9.650 -10.897 -7.623 1.00 44.55 N ATOM 2146 CA TYR A 141 -9.885 -12.170 -6.913 1.00 72.41 C ATOM 2147 C TYR A 141 -11.362 -12.650 -7.000 1.00 12.12 C ATOM 2148 O TYR A 141 -11.625 -13.847 -6.830 1.00 52.54 O ATOM 2149 CB TYR A 141 -9.452 -12.040 -5.433 1.00 25.12 C ATOM 2150 CG TYR A 141 -7.930 -12.027 -5.207 1.00 62.42 C ATOM 2151 CD1 TYR A 141 -7.150 -13.156 -5.480 1.00 61.41 C ATOM 2152 CD2 TYR A 141 -7.285 -10.919 -4.668 1.00 34.23 C ATOM 2153 CE1 TYR A 141 -5.795 -13.168 -5.219 1.00 21.32 C ATOM 2154 CE2 TYR A 141 -5.932 -10.923 -4.417 1.00 1.34 C ATOM 2155 CZ TYR A 141 -5.190 -12.049 -4.693 1.00 21.21 C ATOM 2156 OH TYR A 141 -3.844 -12.057 -4.431 1.00 25.31 O ATOM 0 H TYR A 141 -9.646 -10.082 -7.010 1.00 44.55 H new ATOM 0 HA TYR A 141 -9.279 -12.927 -7.411 1.00 72.41 H new ATOM 0 HB2 TYR A 141 -9.874 -11.122 -5.024 1.00 25.12 H new ATOM 0 HB3 TYR A 141 -9.882 -12.867 -4.869 1.00 25.12 H new ATOM 0 HD1 TYR A 141 -7.617 -14.034 -5.902 1.00 61.41 H new ATOM 0 HD2 TYR A 141 -7.860 -10.034 -4.441 1.00 34.23 H new ATOM 0 HE1 TYR A 141 -5.211 -14.052 -5.427 1.00 21.32 H new ATOM 0 HE2 TYR A 141 -5.454 -10.046 -4.005 1.00 1.34 H new ATOM 0 HH TYR A 141 -3.350 -12.226 -5.260 1.00 25.31 H new ATOM 2166 N GLY A 142 -12.320 -11.730 -7.265 1.00 12.12 N ATOM 2167 CA GLY A 142 -13.741 -12.124 -7.342 1.00 0.43 C ATOM 2168 C GLY A 142 -14.728 -10.971 -7.569 1.00 50.34 C ATOM 2169 O GLY A 142 -15.686 -11.116 -8.336 1.00 21.33 O ATOM 0 H GLY A 142 -12.140 -10.739 -7.424 1.00 12.12 H new ATOM 0 HA2 GLY A 142 -13.858 -12.846 -8.151 1.00 0.43 H new ATOM 0 HA3 GLY A 142 -14.010 -12.635 -6.418 1.00 0.43 H new