USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 973 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 34 HIS : no HE2:sc= -0.415 K(o=-1.2,f=-2.7!) USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.822 X(o=-1.2,f=-1.2) USER MOD Single : A 3 TYR OH : rot 24:sc= -3.93! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 173:sc= -2.22 (180deg=-2.29!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0166 X(o=-0.017,f=0.025) USER MOD Single : A 36 SER OG : rot -111:sc= 0.27 USER MOD Single : A 37 ASN : amide:sc= -2.62! C(o=-2.6!,f=-5.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0688 K(o=-0.069,f=-0.68) USER MOD Single : A 40 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 43 THR OG1 : rot -85:sc= 1.01 USER MOD Single : A 44 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.0082) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.97 K(o=-2,f=-2.8) USER MOD Single : A 50 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.074) USER MOD Single : A 51 SER OG : rot 3:sc= 0.993 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 142:sc= -5.04! USER MOD Single : A 58 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= -0.0894 K(o=-0.089,f=-1.2) USER MOD Single : A 61 SER OG : rot 63:sc= 1.11 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.812 F(o=-1.9,f=-0.81) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.86! C(o=-2.9!,f=-6.1!) USER MOD Single : A 80 ASN : amide:sc=-0.00492 X(o=-0.0049,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0311 F(o=-0.59,f=-0.031) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.62) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.098) USER MOD Single : A 117 GLN : amide:sc= -2.93! C(o=-2.9!,f=-4.5!) USER MOD Single : A 118 ASN : amide:sc=-0.00993 X(o=-0.0099,f=-0.04) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 124 TYR OH : rot 30:sc= 0.0244 USER MOD Single : A 127 ASN : amide:sc= -0.14 K(o=-0.14,f=-1) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -3.442 6.802 11.562 1.00 0.00 N ATOM 24 CA VAL A 2 -2.563 5.804 12.149 1.00 0.00 C ATOM 25 C VAL A 2 -3.221 4.426 12.042 1.00 0.00 C ATOM 26 O VAL A 2 -4.431 4.297 12.225 1.00 0.00 O ATOM 27 CB VAL A 2 -2.218 6.192 13.587 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.197 4.962 14.497 1.00 0.00 C ATOM 29 CG2 VAL A 2 -0.886 6.941 13.649 1.00 0.00 C ATOM 0 HA VAL A 2 -1.620 5.757 11.605 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.997 6.863 13.948 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.949 5.266 15.514 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.178 4.487 14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.449 4.256 14.137 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.665 7.205 14.683 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.092 6.304 13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.951 7.849 13.049 1.00 0.00 H new ATOM 39 N TYR A 3 -2.396 3.433 11.747 1.00 0.00 N ATOM 40 CA TYR A 3 -2.882 2.070 11.615 1.00 0.00 C ATOM 41 C TYR A 3 -1.837 1.066 12.105 1.00 0.00 C ATOM 42 O TYR A 3 -0.655 1.188 11.786 1.00 0.00 O ATOM 43 CB TYR A 3 -3.121 1.851 10.119 1.00 0.00 C ATOM 44 CG TYR A 3 -2.108 0.915 9.458 1.00 0.00 C ATOM 45 CD1 TYR A 3 -1.951 -0.374 9.926 1.00 0.00 C ATOM 46 CD2 TYR A 3 -1.350 1.359 8.392 1.00 0.00 C ATOM 47 CE1 TYR A 3 -0.998 -1.255 9.304 1.00 0.00 C ATOM 48 CE2 TYR A 3 -0.397 0.477 7.770 1.00 0.00 C ATOM 49 CZ TYR A 3 -0.267 -0.786 8.257 1.00 0.00 C ATOM 50 OH TYR A 3 0.633 -1.619 7.668 1.00 0.00 O ATOM 0 H TYR A 3 -1.394 3.545 11.596 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.785 1.925 12.208 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.122 1.444 9.977 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.094 2.816 9.612 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.544 -0.722 10.759 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.472 2.367 8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.866 -2.266 9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.201 0.811 6.935 1.00 0.00 H new ATOM 0 HH TYR A 3 0.372 -2.550 7.830 1.00 0.00 H new ATOM 60 N GLU A 4 -2.311 0.094 12.871 1.00 0.00 N ATOM 61 CA GLU A 4 -1.434 -0.932 13.408 1.00 0.00 C ATOM 62 C GLU A 4 -1.686 -2.268 12.707 1.00 0.00 C ATOM 63 O GLU A 4 -2.740 -2.465 12.103 1.00 0.00 O ATOM 64 CB GLU A 4 -1.608 -1.065 14.922 1.00 0.00 C ATOM 65 CG GLU A 4 -2.993 -1.616 15.268 1.00 0.00 C ATOM 66 CD GLU A 4 -3.040 -2.111 16.715 1.00 0.00 C ATOM 67 OE1 GLU A 4 -3.355 -1.276 17.590 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.760 -3.313 16.913 1.00 0.00 O ATOM 0 H GLU A 4 -3.292 -0.004 13.132 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.402 -0.635 13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.839 -1.725 15.323 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.471 -0.092 15.394 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.744 -0.840 15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.242 -2.434 14.592 1.00 0.00 H new ATOM 75 N ARG A 5 -0.704 -3.151 12.811 1.00 0.00 N ATOM 76 CA ARG A 5 -0.807 -4.462 12.194 1.00 0.00 C ATOM 77 C ARG A 5 -2.232 -5.003 12.333 1.00 0.00 C ATOM 78 O ARG A 5 -2.930 -5.184 11.337 1.00 0.00 O ATOM 79 CB ARG A 5 0.171 -5.450 12.834 1.00 0.00 C ATOM 80 CG ARG A 5 0.305 -5.194 14.337 1.00 0.00 C ATOM 81 CD ARG A 5 1.762 -4.928 14.720 1.00 0.00 C ATOM 82 NE ARG A 5 1.919 -4.995 16.190 1.00 0.00 N ATOM 83 CZ ARG A 5 3.095 -4.907 16.824 1.00 0.00 C ATOM 84 NH1 ARG A 5 4.225 -4.750 16.121 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.143 -4.979 18.162 1.00 0.00 N ATOM 0 H ARG A 5 0.168 -2.984 13.314 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.557 -4.353 11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.174 -6.470 12.665 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.147 -5.361 12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.311 -4.341 14.620 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.069 -6.055 14.891 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.412 -5.662 14.243 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.069 -3.947 14.358 1.00 0.00 H new ATOM 0 HE ARG A 5 1.079 -5.116 16.756 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.189 -4.698 15.103 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.121 -4.683 16.604 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.283 -5.101 18.697 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.039 -4.912 18.645 1.00 0.00 H new ATOM 99 N CYS A 6 -2.620 -5.245 13.576 1.00 0.00 N ATOM 100 CA CYS A 6 -3.949 -5.761 13.858 1.00 0.00 C ATOM 101 C CYS A 6 -4.959 -4.963 13.032 1.00 0.00 C ATOM 102 O CYS A 6 -5.421 -5.428 11.991 1.00 0.00 O ATOM 103 CB CYS A 6 -4.269 -5.715 15.353 1.00 0.00 C ATOM 104 SG CYS A 6 -3.148 -6.703 16.410 1.00 0.00 S ATOM 0 H CYS A 6 -2.038 -5.093 14.400 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.001 -6.813 13.576 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.237 -4.677 15.685 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.290 -6.067 15.502 1.00 0.00 H new ATOM 109 N GLU A 7 -5.273 -3.776 13.527 1.00 0.00 N ATOM 110 CA GLU A 7 -6.220 -2.908 12.848 1.00 0.00 C ATOM 111 C GLU A 7 -6.191 -3.166 11.341 1.00 0.00 C ATOM 112 O GLU A 7 -7.156 -3.680 10.776 1.00 0.00 O ATOM 113 CB GLU A 7 -5.936 -1.437 13.158 1.00 0.00 C ATOM 114 CG GLU A 7 -6.941 -0.886 14.172 1.00 0.00 C ATOM 115 CD GLU A 7 -7.957 0.036 13.492 1.00 0.00 C ATOM 116 OE1 GLU A 7 -7.625 1.231 13.339 1.00 0.00 O ATOM 117 OE2 GLU A 7 -9.042 -0.477 13.143 1.00 0.00 O ATOM 0 H GLU A 7 -4.888 -3.394 14.391 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.220 -3.136 13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.924 -1.333 13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.983 -0.852 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.462 -1.711 14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.413 -0.338 14.952 1.00 0.00 H new ATOM 124 N PHE A 8 -5.073 -2.799 10.731 1.00 0.00 N ATOM 125 CA PHE A 8 -4.904 -2.985 9.300 1.00 0.00 C ATOM 126 C PHE A 8 -5.381 -4.374 8.868 1.00 0.00 C ATOM 127 O PHE A 8 -6.204 -4.497 7.962 1.00 0.00 O ATOM 128 CB PHE A 8 -3.408 -2.858 9.005 1.00 0.00 C ATOM 129 CG PHE A 8 -3.088 -2.021 7.765 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.457 -0.713 7.714 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.434 -2.584 6.714 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.160 0.064 6.563 1.00 0.00 C ATOM 133 CE2 PHE A 8 -2.136 -1.807 5.564 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.506 -0.499 5.512 1.00 0.00 C ATOM 0 H PHE A 8 -4.275 -2.373 11.202 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.490 -2.243 8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.914 -2.413 9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.987 -3.855 8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.976 -0.265 8.549 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.141 -3.623 6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.454 1.103 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.615 -2.254 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.281 0.092 4.637 1.00 0.00 H new ATOM 144 N ALA A 9 -4.844 -5.383 9.536 1.00 0.00 N ATOM 145 CA ALA A 9 -5.204 -6.758 9.232 1.00 0.00 C ATOM 146 C ALA A 9 -6.729 -6.889 9.217 1.00 0.00 C ATOM 147 O ALA A 9 -7.301 -7.401 8.255 1.00 0.00 O ATOM 148 CB ALA A 9 -4.549 -7.695 10.250 1.00 0.00 C ATOM 0 H ALA A 9 -4.162 -5.277 10.287 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.838 -7.041 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.819 -8.726 10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.466 -7.585 10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.895 -7.443 11.252 1.00 0.00 H new ATOM 154 N ARG A 10 -7.342 -6.420 10.293 1.00 0.00 N ATOM 155 CA ARG A 10 -8.789 -6.478 10.415 1.00 0.00 C ATOM 156 C ARG A 10 -9.450 -5.747 9.244 1.00 0.00 C ATOM 157 O ARG A 10 -10.312 -6.305 8.566 1.00 0.00 O ATOM 158 CB ARG A 10 -9.257 -5.851 11.729 1.00 0.00 C ATOM 159 CG ARG A 10 -10.709 -6.227 12.030 1.00 0.00 C ATOM 160 CD ARG A 10 -11.292 -5.333 13.126 1.00 0.00 C ATOM 161 NE ARG A 10 -12.531 -5.935 13.665 1.00 0.00 N ATOM 162 CZ ARG A 10 -13.297 -5.363 14.604 1.00 0.00 C ATOM 163 NH1 ARG A 10 -12.957 -4.172 15.112 1.00 0.00 N ATOM 164 NH2 ARG A 10 -14.405 -5.983 15.034 1.00 0.00 N ATOM 0 H ARG A 10 -6.863 -5.998 11.089 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.081 -7.528 10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.615 -6.185 12.544 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.163 -4.767 11.672 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.308 -6.134 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.761 -7.270 12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.563 -5.203 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.504 -4.342 12.724 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.820 -6.842 13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.115 -3.699 14.784 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.540 -3.737 15.827 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.665 -6.890 14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.988 -5.548 15.749 1.00 0.00 H new ATOM 178 N THR A 11 -9.023 -4.509 9.044 1.00 0.00 N ATOM 179 CA THR A 11 -9.563 -3.696 7.968 1.00 0.00 C ATOM 180 C THR A 11 -9.364 -4.393 6.621 1.00 0.00 C ATOM 181 O THR A 11 -10.324 -4.614 5.885 1.00 0.00 O ATOM 182 CB THR A 11 -8.904 -2.317 8.042 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.507 -1.704 9.178 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.305 -1.413 6.874 1.00 0.00 C ATOM 0 H THR A 11 -8.309 -4.049 9.609 1.00 0.00 H new ATOM 0 HA THR A 11 -10.640 -3.564 8.074 1.00 0.00 H new ATOM 0 HB THR A 11 -7.820 -2.433 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.136 -0.805 9.301 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.810 -0.447 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.006 -1.878 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.385 -1.269 6.880 1.00 0.00 H new ATOM 192 N LEU A 12 -8.112 -4.721 6.340 1.00 0.00 N ATOM 193 CA LEU A 12 -7.775 -5.389 5.095 1.00 0.00 C ATOM 194 C LEU A 12 -8.719 -6.575 4.885 1.00 0.00 C ATOM 195 O LEU A 12 -9.310 -6.720 3.816 1.00 0.00 O ATOM 196 CB LEU A 12 -6.293 -5.772 5.075 1.00 0.00 C ATOM 197 CG LEU A 12 -5.501 -5.325 3.845 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.772 -4.007 4.110 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.544 -6.426 3.380 1.00 0.00 C ATOM 0 H LEU A 12 -7.318 -4.537 6.953 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.917 -4.714 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.818 -5.351 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.217 -6.856 5.157 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.205 -5.145 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.217 -3.713 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.498 -3.233 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.080 -4.135 4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.993 -6.083 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.843 -6.661 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.114 -7.319 3.123 1.00 0.00 H new ATOM 211 N LYS A 13 -8.831 -7.392 5.922 1.00 0.00 N ATOM 212 CA LYS A 13 -9.693 -8.559 5.865 1.00 0.00 C ATOM 213 C LYS A 13 -11.149 -8.107 5.735 1.00 0.00 C ATOM 214 O LYS A 13 -11.965 -8.798 5.128 1.00 0.00 O ATOM 215 CB LYS A 13 -9.437 -9.473 7.066 1.00 0.00 C ATOM 216 CG LYS A 13 -9.781 -10.926 6.731 1.00 0.00 C ATOM 217 CD LYS A 13 -11.172 -11.294 7.250 1.00 0.00 C ATOM 218 CE LYS A 13 -11.559 -12.711 6.822 1.00 0.00 C ATOM 219 NZ LYS A 13 -13.032 -12.865 6.810 1.00 0.00 N ATOM 0 H LYS A 13 -8.339 -7.268 6.807 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.465 -9.158 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.391 -9.403 7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.034 -9.140 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.741 -11.073 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.037 -11.590 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.189 -11.221 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.906 -10.583 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.157 -12.920 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.117 -13.437 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.278 -13.832 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.408 -12.686 7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.447 -12.185 6.141 1.00 0.00 H new ATOM 233 N ARG A 14 -11.429 -6.951 6.317 1.00 0.00 N ATOM 234 CA ARG A 14 -12.773 -6.398 6.274 1.00 0.00 C ATOM 235 C ARG A 14 -13.049 -5.780 4.903 1.00 0.00 C ATOM 236 O ARG A 14 -14.203 -5.645 4.499 1.00 0.00 O ATOM 237 CB ARG A 14 -12.965 -5.333 7.355 1.00 0.00 C ATOM 238 CG ARG A 14 -14.441 -4.951 7.492 1.00 0.00 C ATOM 239 CD ARG A 14 -14.864 -4.922 8.963 1.00 0.00 C ATOM 240 NE ARG A 14 -16.190 -4.277 9.093 1.00 0.00 N ATOM 241 CZ ARG A 14 -17.339 -4.829 8.680 1.00 0.00 C ATOM 242 NH1 ARG A 14 -17.331 -6.040 8.105 1.00 0.00 N ATOM 243 NH2 ARG A 14 -18.495 -4.171 8.839 1.00 0.00 N ATOM 0 H ARG A 14 -10.749 -6.382 6.821 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.473 -7.213 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.592 -5.706 8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.378 -4.448 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.611 -3.973 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.058 -5.665 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.903 -5.937 9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.126 -4.378 9.552 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.232 -3.354 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.451 -6.540 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.205 -6.461 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.501 -3.249 9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.369 -4.592 8.524 1.00 0.00 H new ATOM 257 N ASN A 15 -11.969 -5.419 4.223 1.00 0.00 N ATOM 258 CA ASN A 15 -12.081 -4.817 2.906 1.00 0.00 C ATOM 259 C ASN A 15 -12.097 -5.920 1.846 1.00 0.00 C ATOM 260 O ASN A 15 -12.850 -5.843 0.875 1.00 0.00 O ATOM 261 CB ASN A 15 -10.891 -3.901 2.616 1.00 0.00 C ATOM 262 CG ASN A 15 -11.342 -2.623 1.906 1.00 0.00 C ATOM 263 OD1 ASN A 15 -11.337 -2.523 0.690 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.731 -1.654 2.730 1.00 0.00 N ATOM 0 H ASN A 15 -11.013 -5.532 4.560 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.001 -4.233 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.389 -3.645 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.164 -4.428 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.050 -0.761 2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.710 -1.804 3.739 1.00 0.00 H new ATOM 271 N GLY A 16 -11.258 -6.922 2.067 1.00 0.00 N ATOM 272 CA GLY A 16 -11.167 -8.040 1.143 1.00 0.00 C ATOM 273 C GLY A 16 -9.878 -7.967 0.321 1.00 0.00 C ATOM 274 O GLY A 16 -9.923 -7.785 -0.895 1.00 0.00 O ATOM 0 H GLY A 16 -10.635 -6.983 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.197 -8.978 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.029 -8.036 0.476 1.00 0.00 H new ATOM 278 N MET A 17 -8.761 -8.113 1.017 1.00 0.00 N ATOM 279 CA MET A 17 -7.463 -8.067 0.368 1.00 0.00 C ATOM 280 C MET A 17 -6.450 -8.950 1.100 1.00 0.00 C ATOM 281 O MET A 17 -5.671 -9.662 0.469 1.00 0.00 O ATOM 282 CB MET A 17 -6.955 -6.623 0.342 1.00 0.00 C ATOM 283 CG MET A 17 -5.871 -6.442 -0.722 1.00 0.00 C ATOM 284 SD MET A 17 -6.535 -6.805 -2.339 1.00 0.00 S ATOM 285 CE MET A 17 -7.908 -5.665 -2.373 1.00 0.00 C ATOM 0 H MET A 17 -8.728 -8.263 2.025 1.00 0.00 H new ATOM 0 HA MET A 17 -7.575 -8.442 -0.649 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.785 -5.946 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.557 -6.356 1.321 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.492 -5.420 -0.697 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.028 -7.100 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.361 -5.670 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.650 -5.967 -1.634 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.553 -4.661 -2.142 1.00 0.00 H new ATOM 295 N ALA A 18 -6.495 -8.874 2.422 1.00 0.00 N ATOM 296 CA ALA A 18 -5.592 -9.659 3.247 1.00 0.00 C ATOM 297 C ALA A 18 -5.731 -11.139 2.886 1.00 0.00 C ATOM 298 O ALA A 18 -6.805 -11.719 3.038 1.00 0.00 O ATOM 299 CB ALA A 18 -5.887 -9.389 4.725 1.00 0.00 C ATOM 0 H ALA A 18 -7.142 -8.281 2.942 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.557 -9.372 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.210 -9.977 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.744 -8.329 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.917 -9.668 4.947 1.00 0.00 H new ATOM 305 N GLY A 19 -4.631 -11.705 2.413 1.00 0.00 N ATOM 306 CA GLY A 19 -4.618 -13.106 2.027 1.00 0.00 C ATOM 307 C GLY A 19 -5.148 -13.289 0.604 1.00 0.00 C ATOM 308 O GLY A 19 -5.670 -14.349 0.263 1.00 0.00 O ATOM 0 H GLY A 19 -3.743 -11.220 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.602 -13.495 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.227 -13.684 2.722 1.00 0.00 H new ATOM 312 N TYR A 20 -4.996 -12.238 -0.189 1.00 0.00 N ATOM 313 CA TYR A 20 -5.452 -12.269 -1.568 1.00 0.00 C ATOM 314 C TYR A 20 -4.973 -13.538 -2.276 1.00 0.00 C ATOM 315 O TYR A 20 -4.273 -14.357 -1.683 1.00 0.00 O ATOM 316 CB TYR A 20 -4.824 -11.051 -2.248 1.00 0.00 C ATOM 317 CG TYR A 20 -5.498 -10.656 -3.564 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.707 -9.992 -3.549 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.895 -10.965 -4.766 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.340 -9.621 -4.787 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.529 -10.594 -6.006 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.720 -9.940 -5.954 1.00 0.00 C ATOM 323 OH TYR A 20 -7.319 -9.589 -7.124 1.00 0.00 O ATOM 0 H TYR A 20 -4.563 -11.360 0.098 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.541 -12.257 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.864 -10.204 -1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.771 -11.257 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.179 -9.750 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.948 -11.485 -4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.286 -9.101 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.069 -10.830 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.762 -9.880 -7.876 1.00 0.00 H new ATOM 333 N TYR A 21 -5.369 -13.661 -3.535 1.00 0.00 N ATOM 334 CA TYR A 21 -4.988 -14.815 -4.331 1.00 0.00 C ATOM 335 C TYR A 21 -3.568 -15.271 -3.990 1.00 0.00 C ATOM 336 O TYR A 21 -3.345 -16.440 -3.682 1.00 0.00 O ATOM 337 CB TYR A 21 -5.028 -14.354 -5.789 1.00 0.00 C ATOM 338 CG TYR A 21 -6.230 -14.880 -6.575 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.510 -14.537 -6.190 1.00 0.00 C ATOM 340 CD2 TYR A 21 -6.035 -15.698 -7.670 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.642 -15.030 -6.930 1.00 0.00 C ATOM 342 CE2 TYR A 21 -7.166 -16.192 -8.409 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.414 -15.835 -8.003 1.00 0.00 C ATOM 344 OH TYR A 21 -9.483 -16.302 -8.703 1.00 0.00 O ATOM 0 H TYR A 21 -5.950 -12.980 -4.023 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.659 -15.652 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.039 -13.264 -5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.113 -14.675 -6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.663 -13.898 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.033 -15.967 -7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.649 -14.767 -6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.027 -16.832 -9.267 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.170 -16.863 -9.443 1.00 0.00 H new ATOM 354 N GLY A 22 -2.644 -14.324 -4.058 1.00 0.00 N ATOM 355 CA GLY A 22 -1.252 -14.613 -3.760 1.00 0.00 C ATOM 356 C GLY A 22 -0.777 -13.825 -2.538 1.00 0.00 C ATOM 357 O GLY A 22 -0.326 -14.411 -1.555 1.00 0.00 O ATOM 0 H GLY A 22 -2.833 -13.355 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.130 -15.681 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.633 -14.363 -4.621 1.00 0.00 H new ATOM 361 N VAL A 23 -0.894 -12.510 -2.639 1.00 0.00 N ATOM 362 CA VAL A 23 -0.482 -11.636 -1.554 1.00 0.00 C ATOM 363 C VAL A 23 -1.044 -12.169 -0.235 1.00 0.00 C ATOM 364 O VAL A 23 -2.257 -12.296 -0.078 1.00 0.00 O ATOM 365 CB VAL A 23 -0.912 -10.197 -1.849 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.196 -9.211 -0.924 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.673 -9.844 -3.318 1.00 0.00 C ATOM 0 H VAL A 23 -1.268 -12.028 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 23 0.604 -11.625 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.982 -10.120 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.519 -8.196 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.439 -9.443 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.881 -9.291 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.987 -8.816 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.387 -9.946 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.249 -10.518 -3.952 1.00 0.00 H new ATOM 377 N SER A 24 -0.134 -12.465 0.682 1.00 0.00 N ATOM 378 CA SER A 24 -0.524 -12.982 1.983 1.00 0.00 C ATOM 379 C SER A 24 -0.739 -11.826 2.962 1.00 0.00 C ATOM 380 O SER A 24 -0.002 -10.842 2.937 1.00 0.00 O ATOM 381 CB SER A 24 0.528 -13.950 2.528 1.00 0.00 C ATOM 382 OG SER A 24 0.075 -15.301 2.501 1.00 0.00 O ATOM 0 H SER A 24 0.872 -12.357 0.550 1.00 0.00 H new ATOM 0 HA SER A 24 -1.459 -13.531 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.441 -13.862 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.780 -13.673 3.551 1.00 0.00 H new ATOM 0 HG SER A 24 0.775 -15.888 2.855 1.00 0.00 H new ATOM 388 N LEU A 25 -1.754 -11.983 3.799 1.00 0.00 N ATOM 389 CA LEU A 25 -2.076 -10.965 4.784 1.00 0.00 C ATOM 390 C LEU A 25 -0.787 -10.472 5.443 1.00 0.00 C ATOM 391 O LEU A 25 -0.606 -9.272 5.643 1.00 0.00 O ATOM 392 CB LEU A 25 -3.114 -11.490 5.778 1.00 0.00 C ATOM 393 CG LEU A 25 -3.240 -10.712 7.089 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.650 -9.261 6.828 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.200 -11.414 8.054 1.00 0.00 C ATOM 0 H LEU A 25 -2.364 -12.800 3.815 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.537 -10.103 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.087 -11.496 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.870 -12.526 6.015 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.261 -10.689 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.733 -8.730 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.898 -8.777 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.612 -9.241 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.271 -10.840 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.186 -11.489 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.826 -12.414 8.276 1.00 0.00 H new ATOM 407 N ALA A 26 0.078 -11.425 5.762 1.00 0.00 N ATOM 408 CA ALA A 26 1.345 -11.103 6.396 1.00 0.00 C ATOM 409 C ALA A 26 2.155 -10.192 5.470 1.00 0.00 C ATOM 410 O ALA A 26 2.761 -9.223 5.923 1.00 0.00 O ATOM 411 CB ALA A 26 2.089 -12.396 6.737 1.00 0.00 C ATOM 0 H ALA A 26 -0.074 -12.419 5.593 1.00 0.00 H new ATOM 0 HA ALA A 26 1.182 -10.565 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.040 -12.154 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.484 -12.995 7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.274 -12.961 5.823 1.00 0.00 H new ATOM 417 N ASP A 27 2.140 -10.537 4.191 1.00 0.00 N ATOM 418 CA ASP A 27 2.865 -9.762 3.199 1.00 0.00 C ATOM 419 C ASP A 27 2.263 -8.359 3.113 1.00 0.00 C ATOM 420 O ASP A 27 2.988 -7.374 2.974 1.00 0.00 O ATOM 421 CB ASP A 27 2.763 -10.407 1.815 1.00 0.00 C ATOM 422 CG ASP A 27 3.437 -9.624 0.686 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.911 -8.504 0.975 1.00 0.00 O ATOM 424 OD2 ASP A 27 3.466 -10.165 -0.441 1.00 0.00 O ATOM 0 H ASP A 27 1.637 -11.343 3.819 1.00 0.00 H new ATOM 0 HA ASP A 27 3.911 -9.721 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.205 -11.402 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.709 -10.537 1.568 1.00 0.00 H new ATOM 429 N TRP A 28 0.941 -8.310 3.200 1.00 0.00 N ATOM 430 CA TRP A 28 0.232 -7.044 3.134 1.00 0.00 C ATOM 431 C TRP A 28 0.697 -6.180 4.308 1.00 0.00 C ATOM 432 O TRP A 28 1.227 -5.088 4.108 1.00 0.00 O ATOM 433 CB TRP A 28 -1.281 -7.263 3.115 1.00 0.00 C ATOM 434 CG TRP A 28 -1.852 -7.546 1.725 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.518 -8.633 1.312 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.780 -6.680 0.572 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.879 -8.532 -0.016 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.416 -7.306 -0.481 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.197 -5.409 0.425 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.529 -6.738 -1.755 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.319 -4.855 -0.855 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.955 -5.472 -1.925 1.00 0.00 C ATOM 0 H TRP A 28 0.343 -9.128 3.316 1.00 0.00 H new ATOM 0 HA TRP A 28 0.461 -6.522 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.525 -8.097 3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.771 -6.379 3.525 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.744 -9.482 1.940 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.391 -9.229 -0.557 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.695 -4.901 1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.032 -7.248 -2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.888 -3.879 -1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.007 -4.977 -2.884 1.00 0.00 H new ATOM 453 N VAL A 29 0.482 -6.703 5.507 1.00 0.00 N ATOM 454 CA VAL A 29 0.873 -5.994 6.713 1.00 0.00 C ATOM 455 C VAL A 29 2.374 -5.700 6.664 1.00 0.00 C ATOM 456 O VAL A 29 2.785 -4.542 6.708 1.00 0.00 O ATOM 457 CB VAL A 29 0.461 -6.796 7.949 1.00 0.00 C ATOM 458 CG1 VAL A 29 0.741 -6.011 9.232 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.010 -7.209 7.869 1.00 0.00 C ATOM 0 H VAL A 29 0.042 -7.609 5.668 1.00 0.00 H new ATOM 0 HA VAL A 29 0.356 -5.036 6.776 1.00 0.00 H new ATOM 0 HB VAL A 29 1.063 -7.704 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.439 -6.604 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.806 -5.791 9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.178 -5.078 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.277 -7.778 8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.635 -6.318 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.167 -7.826 6.984 1.00 0.00 H new ATOM 469 N CYS A 30 3.151 -6.769 6.574 1.00 0.00 N ATOM 470 CA CYS A 30 4.598 -6.640 6.518 1.00 0.00 C ATOM 471 C CYS A 30 4.944 -5.553 5.500 1.00 0.00 C ATOM 472 O CYS A 30 5.622 -4.581 5.830 1.00 0.00 O ATOM 473 CB CYS A 30 5.271 -7.973 6.182 1.00 0.00 C ATOM 474 SG CYS A 30 7.078 -8.013 6.471 1.00 0.00 S ATOM 0 H CYS A 30 2.807 -7.728 6.538 1.00 0.00 H new ATOM 0 HA CYS A 30 4.979 -6.352 7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.805 -8.759 6.775 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.079 -8.207 5.135 1.00 0.00 H new ATOM 479 N LEU A 31 4.463 -5.753 4.281 1.00 0.00 N ATOM 480 CA LEU A 31 4.714 -4.801 3.212 1.00 0.00 C ATOM 481 C LEU A 31 4.420 -3.387 3.715 1.00 0.00 C ATOM 482 O LEU A 31 5.258 -2.495 3.595 1.00 0.00 O ATOM 483 CB LEU A 31 3.926 -5.185 1.958 1.00 0.00 C ATOM 484 CG LEU A 31 4.123 -4.281 0.740 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.282 -5.109 -0.537 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.989 -3.261 0.623 1.00 0.00 C ATOM 0 H LEU A 31 3.901 -6.560 4.010 1.00 0.00 H new ATOM 0 HA LEU A 31 5.764 -4.823 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.199 -6.203 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.865 -5.197 2.209 1.00 0.00 H new ATOM 0 HG LEU A 31 5.047 -3.720 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.421 -4.442 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.150 -5.761 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.389 -5.714 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.155 -2.632 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.038 -3.784 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.965 -2.639 1.518 1.00 0.00 H new ATOM 498 N ALA A 32 3.227 -3.226 4.267 1.00 0.00 N ATOM 499 CA ALA A 32 2.812 -1.935 4.789 1.00 0.00 C ATOM 500 C ALA A 32 3.721 -1.545 5.956 1.00 0.00 C ATOM 501 O ALA A 32 3.867 -0.364 6.266 1.00 0.00 O ATOM 502 CB ALA A 32 1.338 -1.997 5.194 1.00 0.00 C ATOM 0 H ALA A 32 2.534 -3.968 4.364 1.00 0.00 H new ATOM 0 HA ALA A 32 2.908 -1.164 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.027 -1.028 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.732 -2.248 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.203 -2.759 5.962 1.00 0.00 H new ATOM 508 N GLN A 33 4.310 -2.561 6.570 1.00 0.00 N ATOM 509 CA GLN A 33 5.201 -2.339 7.697 1.00 0.00 C ATOM 510 C GLN A 33 6.507 -1.699 7.222 1.00 0.00 C ATOM 511 O GLN A 33 6.914 -0.656 7.733 1.00 0.00 O ATOM 512 CB GLN A 33 5.471 -3.644 8.447 1.00 0.00 C ATOM 513 CG GLN A 33 5.913 -3.368 9.886 1.00 0.00 C ATOM 514 CD GLN A 33 7.015 -4.338 10.318 1.00 0.00 C ATOM 515 OE1 GLN A 33 6.863 -5.548 10.276 1.00 0.00 O ATOM 516 NE2 GLN A 33 8.128 -3.742 10.732 1.00 0.00 N ATOM 0 H GLN A 33 4.188 -3.539 6.309 1.00 0.00 H new ATOM 0 HA GLN A 33 4.714 -1.654 8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.571 -4.258 8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.243 -4.213 7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.273 -2.343 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.059 -3.461 10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.188 -2.724 10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.922 -4.303 11.040 1.00 0.00 H new ATOM 525 N HIS A 34 7.129 -2.349 6.250 1.00 0.00 N ATOM 526 CA HIS A 34 8.381 -1.857 5.701 1.00 0.00 C ATOM 527 C HIS A 34 8.147 -0.506 5.021 1.00 0.00 C ATOM 528 O HIS A 34 9.072 0.293 4.884 1.00 0.00 O ATOM 529 CB HIS A 34 9.008 -2.891 4.763 1.00 0.00 C ATOM 530 CG HIS A 34 10.504 -2.762 4.619 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.144 -1.540 4.505 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.481 -3.713 4.573 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.446 -1.758 4.393 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.653 -3.105 4.437 1.00 0.00 N ATOM 0 H HIS A 34 6.789 -3.213 5.828 1.00 0.00 H new ATOM 0 HA HIS A 34 9.098 -1.701 6.507 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.774 -3.890 5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.549 -2.799 3.779 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.690 -0.627 4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.327 -4.780 4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.209 -1.002 4.286 1.00 0.00 H new ATOM 543 N GLU A 35 6.904 -0.292 4.614 1.00 0.00 N ATOM 544 CA GLU A 35 6.536 0.948 3.953 1.00 0.00 C ATOM 545 C GLU A 35 6.425 2.081 4.973 1.00 0.00 C ATOM 546 O GLU A 35 7.184 3.049 4.919 1.00 0.00 O ATOM 547 CB GLU A 35 5.232 0.786 3.168 1.00 0.00 C ATOM 548 CG GLU A 35 5.447 -0.069 1.918 1.00 0.00 C ATOM 549 CD GLU A 35 6.256 0.692 0.865 1.00 0.00 C ATOM 550 OE1 GLU A 35 5.668 1.608 0.251 1.00 0.00 O ATOM 551 OE2 GLU A 35 7.444 0.340 0.699 1.00 0.00 O ATOM 0 H GLU A 35 6.139 -0.957 4.730 1.00 0.00 H new ATOM 0 HA GLU A 35 7.321 1.203 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.476 0.324 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.852 1.766 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.967 -0.988 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.483 -0.359 1.501 1.00 0.00 H new ATOM 558 N SER A 36 5.473 1.926 5.882 1.00 0.00 N ATOM 559 CA SER A 36 5.252 2.924 6.914 1.00 0.00 C ATOM 560 C SER A 36 4.595 2.279 8.135 1.00 0.00 C ATOM 561 O SER A 36 5.231 2.124 9.176 1.00 0.00 O ATOM 562 CB SER A 36 4.388 4.074 6.392 1.00 0.00 C ATOM 563 OG SER A 36 4.475 5.228 7.224 1.00 0.00 O ATOM 0 H SER A 36 4.845 1.123 5.925 1.00 0.00 H new ATOM 0 HA SER A 36 6.219 3.334 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.701 4.332 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.350 3.748 6.331 1.00 0.00 H new ATOM 0 HG SER A 36 3.618 5.369 7.678 1.00 0.00 H new ATOM 569 N ASN A 37 3.332 1.919 7.966 1.00 0.00 N ATOM 570 CA ASN A 37 2.581 1.293 9.042 1.00 0.00 C ATOM 571 C ASN A 37 2.511 2.251 10.234 1.00 0.00 C ATOM 572 O ASN A 37 3.237 3.243 10.281 1.00 0.00 O ATOM 573 CB ASN A 37 3.261 0.004 9.510 1.00 0.00 C ATOM 574 CG ASN A 37 2.798 -0.379 10.917 1.00 0.00 C ATOM 575 OD1 ASN A 37 1.623 -0.579 11.179 1.00 0.00 O ATOM 576 ND2 ASN A 37 3.783 -0.471 11.805 1.00 0.00 N ATOM 0 H ASN A 37 2.809 2.049 7.100 1.00 0.00 H new ATOM 0 HA ASN A 37 1.584 1.060 8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.033 -0.805 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.343 0.136 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.576 -0.722 12.772 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.745 -0.291 11.520 1.00 0.00 H new ATOM 583 N TYR A 38 1.631 1.919 11.167 1.00 0.00 N ATOM 584 CA TYR A 38 1.457 2.738 12.354 1.00 0.00 C ATOM 585 C TYR A 38 0.918 4.123 11.993 1.00 0.00 C ATOM 586 O TYR A 38 -0.164 4.507 12.434 1.00 0.00 O ATOM 587 CB TYR A 38 2.850 2.891 12.969 1.00 0.00 C ATOM 588 CG TYR A 38 3.155 1.882 14.079 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.252 1.690 15.103 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.334 1.165 14.054 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.538 0.740 16.147 1.00 0.00 C ATOM 592 CE2 TYR A 38 4.621 0.216 15.098 1.00 0.00 C ATOM 593 CZ TYR A 38 3.709 0.050 16.093 1.00 0.00 C ATOM 594 OH TYR A 38 3.981 -0.846 17.079 1.00 0.00 O ATOM 0 H TYR A 38 1.031 1.095 11.125 1.00 0.00 H new ATOM 0 HA TYR A 38 0.746 2.274 13.038 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.597 2.787 12.182 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.950 3.899 13.371 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.330 2.252 15.122 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.041 1.316 13.252 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.839 0.579 16.954 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.540 -0.351 15.091 1.00 0.00 H new ATOM 0 HH TYR A 38 4.851 -1.265 16.910 1.00 0.00 H new ATOM 604 N ASN A 39 1.697 4.835 11.193 1.00 0.00 N ATOM 605 CA ASN A 39 1.311 6.170 10.766 1.00 0.00 C ATOM 606 C ASN A 39 1.032 6.159 9.261 1.00 0.00 C ATOM 607 O ASN A 39 1.673 5.422 8.513 1.00 0.00 O ATOM 608 CB ASN A 39 2.429 7.179 11.032 1.00 0.00 C ATOM 609 CG ASN A 39 2.836 7.169 12.508 1.00 0.00 C ATOM 610 OD1 ASN A 39 3.529 6.284 12.981 1.00 0.00 O ATOM 611 ND2 ASN A 39 2.368 8.201 13.204 1.00 0.00 N ATOM 0 H ASN A 39 2.594 4.513 10.829 1.00 0.00 H new ATOM 0 HA ASN A 39 0.423 6.460 11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.293 6.942 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.097 8.178 10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.584 8.286 14.197 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.793 8.907 12.745 1.00 0.00 H new ATOM 618 N THR A 40 0.077 6.986 8.862 1.00 0.00 N ATOM 619 CA THR A 40 -0.293 7.081 7.461 1.00 0.00 C ATOM 620 C THR A 40 -0.123 8.516 6.959 1.00 0.00 C ATOM 621 O THR A 40 -1.045 9.090 6.385 1.00 0.00 O ATOM 622 CB THR A 40 -1.720 6.551 7.311 1.00 0.00 C ATOM 623 OG1 THR A 40 -2.542 7.685 7.574 1.00 0.00 O ATOM 624 CG2 THR A 40 -2.095 5.557 8.414 1.00 0.00 C ATOM 0 H THR A 40 -0.452 7.596 9.485 1.00 0.00 H new ATOM 0 HA THR A 40 0.363 6.473 6.838 1.00 0.00 H new ATOM 0 HB THR A 40 -1.828 6.072 6.338 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.540 8.278 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.117 5.212 8.260 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.416 4.705 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.019 6.046 9.385 1.00 0.00 H new ATOM 632 N ARG A 41 1.065 9.054 7.197 1.00 0.00 N ATOM 633 CA ARG A 41 1.368 10.412 6.778 1.00 0.00 C ATOM 634 C ARG A 41 2.536 10.414 5.789 1.00 0.00 C ATOM 635 O ARG A 41 3.048 11.473 5.430 1.00 0.00 O ATOM 636 CB ARG A 41 1.722 11.294 7.977 1.00 0.00 C ATOM 637 CG ARG A 41 1.547 12.776 7.639 1.00 0.00 C ATOM 638 CD ARG A 41 0.514 13.429 8.560 1.00 0.00 C ATOM 639 NE ARG A 41 0.399 14.871 8.248 1.00 0.00 N ATOM 640 CZ ARG A 41 -0.334 15.737 8.960 1.00 0.00 C ATOM 641 NH1 ARG A 41 -1.021 15.314 10.030 1.00 0.00 N ATOM 642 NH2 ARG A 41 -0.380 17.028 8.604 1.00 0.00 N ATOM 0 H ARG A 41 1.828 8.574 7.674 1.00 0.00 H new ATOM 0 HA ARG A 41 0.478 10.816 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.088 11.033 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.752 11.106 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.503 13.290 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.232 12.881 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.454 12.943 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.807 13.296 9.601 1.00 0.00 H new ATOM 0 HE ARG A 41 0.910 15.228 7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.986 14.332 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.579 15.974 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.143 17.352 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.938 17.687 9.147 1.00 0.00 H new ATOM 656 N ALA A 42 2.922 9.215 5.377 1.00 0.00 N ATOM 657 CA ALA A 42 4.021 9.065 4.438 1.00 0.00 C ATOM 658 C ALA A 42 3.734 9.899 3.187 1.00 0.00 C ATOM 659 O ALA A 42 2.877 9.540 2.381 1.00 0.00 O ATOM 660 CB ALA A 42 4.219 7.583 4.117 1.00 0.00 C ATOM 0 H ALA A 42 2.494 8.339 5.676 1.00 0.00 H new ATOM 0 HA ALA A 42 4.951 9.432 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.043 7.470 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.448 7.040 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.307 7.181 3.675 1.00 0.00 H new ATOM 666 N THR A 43 4.467 10.996 3.065 1.00 0.00 N ATOM 667 CA THR A 43 4.302 11.883 1.927 1.00 0.00 C ATOM 668 C THR A 43 5.656 12.448 1.491 1.00 0.00 C ATOM 669 O THR A 43 6.416 12.953 2.315 1.00 0.00 O ATOM 670 CB THR A 43 3.288 12.962 2.311 1.00 0.00 C ATOM 671 OG1 THR A 43 3.466 13.120 3.716 1.00 0.00 O ATOM 672 CG2 THR A 43 1.842 12.484 2.168 1.00 0.00 C ATOM 0 H THR A 43 5.177 11.290 3.736 1.00 0.00 H new ATOM 0 HA THR A 43 3.914 11.347 1.061 1.00 0.00 H new ATOM 0 HB THR A 43 3.441 13.843 1.688 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.926 12.455 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.163 13.288 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.653 12.200 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.678 11.623 2.816 1.00 0.00 H new ATOM 680 N ASN A 44 5.915 12.343 0.196 1.00 0.00 N ATOM 681 CA ASN A 44 7.163 12.837 -0.360 1.00 0.00 C ATOM 682 C ASN A 44 6.934 13.276 -1.808 1.00 0.00 C ATOM 683 O ASN A 44 7.057 12.473 -2.731 1.00 0.00 O ATOM 684 CB ASN A 44 8.236 11.747 -0.361 1.00 0.00 C ATOM 685 CG ASN A 44 9.321 12.044 0.676 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.051 13.017 0.587 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.386 11.154 1.662 1.00 0.00 N ATOM 0 H ASN A 44 5.282 11.923 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 44 7.498 13.672 0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.778 10.781 -0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.685 11.675 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.078 11.264 2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.744 10.361 1.677 1.00 0.00 H new ATOM 694 N TYR A 45 6.605 14.550 -1.961 1.00 0.00 N ATOM 695 CA TYR A 45 6.357 15.106 -3.281 1.00 0.00 C ATOM 696 C TYR A 45 7.653 15.625 -3.910 1.00 0.00 C ATOM 697 O TYR A 45 8.602 15.955 -3.200 1.00 0.00 O ATOM 698 CB TYR A 45 5.401 16.281 -3.072 1.00 0.00 C ATOM 699 CG TYR A 45 5.945 17.370 -2.144 1.00 0.00 C ATOM 700 CD1 TYR A 45 6.835 18.306 -2.630 1.00 0.00 C ATOM 701 CD2 TYR A 45 5.547 17.415 -0.825 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.349 19.332 -1.758 1.00 0.00 C ATOM 703 CE2 TYR A 45 6.059 18.441 0.047 1.00 0.00 C ATOM 704 CZ TYR A 45 6.935 19.348 -0.463 1.00 0.00 C ATOM 705 OH TYR A 45 7.419 20.317 0.361 1.00 0.00 O ATOM 0 H TYR A 45 6.504 15.214 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 45 5.946 14.346 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.171 16.725 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.463 15.905 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.146 18.270 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.851 16.681 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.046 20.071 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.754 18.489 1.082 1.00 0.00 H new ATOM 0 HH TYR A 45 7.036 20.206 1.256 1.00 0.00 H new ATOM 715 N ASN A 46 7.650 15.679 -5.234 1.00 0.00 N ATOM 716 CA ASN A 46 8.813 16.152 -5.965 1.00 0.00 C ATOM 717 C ASN A 46 8.383 16.596 -7.365 1.00 0.00 C ATOM 718 O ASN A 46 8.126 15.763 -8.233 1.00 0.00 O ATOM 719 CB ASN A 46 9.855 15.043 -6.120 1.00 0.00 C ATOM 720 CG ASN A 46 10.488 14.693 -4.772 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.002 13.856 -4.028 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.595 15.377 -4.500 1.00 0.00 N ATOM 0 H ASN A 46 6.861 15.403 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 46 9.249 16.980 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.387 14.156 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.629 15.362 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.092 15.215 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.947 16.063 -5.167 1.00 0.00 H new ATOM 729 N ARG A 47 8.319 17.907 -7.541 1.00 0.00 N ATOM 730 CA ARG A 47 7.925 18.472 -8.820 1.00 0.00 C ATOM 731 C ARG A 47 9.093 18.417 -9.808 1.00 0.00 C ATOM 732 O ARG A 47 8.885 18.295 -11.014 1.00 0.00 O ATOM 733 CB ARG A 47 7.466 19.923 -8.664 1.00 0.00 C ATOM 734 CG ARG A 47 6.333 20.248 -9.640 1.00 0.00 C ATOM 735 CD ARG A 47 5.092 20.744 -8.895 1.00 0.00 C ATOM 736 NE ARG A 47 4.167 19.617 -8.648 1.00 0.00 N ATOM 737 CZ ARG A 47 3.127 19.669 -7.803 1.00 0.00 C ATOM 738 NH1 ARG A 47 2.876 20.795 -7.121 1.00 0.00 N ATOM 739 NH2 ARG A 47 2.340 18.597 -7.641 1.00 0.00 N ATOM 0 H ARG A 47 8.533 18.595 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 47 7.094 17.879 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.130 20.094 -7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.306 20.595 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.665 21.008 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.082 19.360 -10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.384 21.200 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.591 21.515 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 47 4.330 18.745 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.476 21.611 -7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.085 20.836 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.532 17.740 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.549 18.637 -6.998 1.00 0.00 H new ATOM 753 N GLY A 48 10.295 18.510 -9.259 1.00 0.00 N ATOM 754 CA GLY A 48 11.496 18.472 -10.075 1.00 0.00 C ATOM 755 C GLY A 48 11.310 17.551 -11.282 1.00 0.00 C ATOM 756 O GLY A 48 11.810 17.836 -12.368 1.00 0.00 O ATOM 0 H GLY A 48 10.463 18.612 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.741 19.478 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.337 18.125 -9.475 1.00 0.00 H new ATOM 760 N ASP A 49 10.590 16.463 -11.049 1.00 0.00 N ATOM 761 CA ASP A 49 10.331 15.497 -12.103 1.00 0.00 C ATOM 762 C ASP A 49 8.856 15.094 -12.070 1.00 0.00 C ATOM 763 O ASP A 49 8.514 13.950 -12.367 1.00 0.00 O ATOM 764 CB ASP A 49 11.172 14.233 -11.911 1.00 0.00 C ATOM 765 CG ASP A 49 11.936 13.770 -13.152 1.00 0.00 C ATOM 766 OD1 ASP A 49 12.590 14.636 -13.773 1.00 0.00 O ATOM 767 OD2 ASP A 49 11.850 12.559 -13.454 1.00 0.00 O ATOM 0 H ASP A 49 10.178 16.229 -10.146 1.00 0.00 H new ATOM 0 HA ASP A 49 10.589 15.960 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.887 14.409 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.517 13.425 -11.584 1.00 0.00 H new ATOM 772 N GLN A 50 8.021 16.056 -11.705 1.00 0.00 N ATOM 773 CA GLN A 50 6.590 15.814 -11.628 1.00 0.00 C ATOM 774 C GLN A 50 6.316 14.381 -11.170 1.00 0.00 C ATOM 775 O GLN A 50 5.616 13.631 -11.848 1.00 0.00 O ATOM 776 CB GLN A 50 5.913 16.099 -12.971 1.00 0.00 C ATOM 777 CG GLN A 50 4.408 16.306 -12.794 1.00 0.00 C ATOM 778 CD GLN A 50 4.105 17.712 -12.269 1.00 0.00 C ATOM 779 OE1 GLN A 50 4.432 18.715 -12.881 1.00 0.00 O ATOM 780 NE2 GLN A 50 3.465 17.727 -11.103 1.00 0.00 N ATOM 0 H GLN A 50 8.308 17.004 -11.460 1.00 0.00 H new ATOM 0 HA GLN A 50 6.166 16.496 -10.891 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.355 16.987 -13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.091 15.270 -13.655 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.902 16.153 -13.747 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.014 15.563 -12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.221 16.849 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.218 18.616 -10.668 1.00 0.00 H new ATOM 789 N SER A 51 6.884 14.043 -10.022 1.00 0.00 N ATOM 790 CA SER A 51 6.711 12.712 -9.465 1.00 0.00 C ATOM 791 C SER A 51 6.630 12.789 -7.939 1.00 0.00 C ATOM 792 O SER A 51 7.647 12.963 -7.269 1.00 0.00 O ATOM 793 CB SER A 51 7.851 11.784 -9.890 1.00 0.00 C ATOM 794 OG SER A 51 9.018 11.974 -9.095 1.00 0.00 O ATOM 0 H SER A 51 7.464 14.668 -9.462 1.00 0.00 H new ATOM 0 HA SER A 51 5.779 12.299 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.523 10.747 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.093 11.963 -10.938 1.00 0.00 H new ATOM 0 HG SER A 51 8.834 12.638 -8.398 1.00 0.00 H new ATOM 800 N THR A 52 5.412 12.656 -7.435 1.00 0.00 N ATOM 801 CA THR A 52 5.186 12.709 -6.001 1.00 0.00 C ATOM 802 C THR A 52 5.071 11.296 -5.426 1.00 0.00 C ATOM 803 O THR A 52 4.299 10.480 -5.926 1.00 0.00 O ATOM 804 CB THR A 52 3.946 13.570 -5.749 1.00 0.00 C ATOM 805 OG1 THR A 52 4.368 14.891 -6.077 1.00 0.00 O ATOM 806 CG2 THR A 52 3.583 13.652 -4.265 1.00 0.00 C ATOM 0 H THR A 52 4.571 12.512 -7.994 1.00 0.00 H new ATOM 0 HA THR A 52 6.029 13.168 -5.485 1.00 0.00 H new ATOM 0 HB THR A 52 3.102 13.164 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.624 15.515 -5.944 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.697 14.274 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.380 12.651 -3.884 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.414 14.089 -3.711 1.00 0.00 H new ATOM 814 N ASP A 53 5.852 11.049 -4.385 1.00 0.00 N ATOM 815 CA ASP A 53 5.847 9.748 -3.737 1.00 0.00 C ATOM 816 C ASP A 53 5.209 9.876 -2.352 1.00 0.00 C ATOM 817 O ASP A 53 5.821 10.413 -1.430 1.00 0.00 O ATOM 818 CB ASP A 53 7.272 9.220 -3.555 1.00 0.00 C ATOM 819 CG ASP A 53 8.160 9.313 -4.796 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.366 10.455 -5.261 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.612 8.241 -5.253 1.00 0.00 O ATOM 0 H ASP A 53 6.493 11.728 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 53 5.284 9.058 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.747 9.773 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.220 8.177 -3.242 1.00 0.00 H new ATOM 826 N TYR A 54 3.988 9.372 -2.250 1.00 0.00 N ATOM 827 CA TYR A 54 3.261 9.422 -0.993 1.00 0.00 C ATOM 828 C TYR A 54 2.243 8.283 -0.903 1.00 0.00 C ATOM 829 O TYR A 54 1.941 7.635 -1.904 1.00 0.00 O ATOM 830 CB TYR A 54 2.515 10.758 -0.991 1.00 0.00 C ATOM 831 CG TYR A 54 1.405 10.853 -2.040 1.00 0.00 C ATOM 832 CD1 TYR A 54 1.705 10.695 -3.377 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.104 11.096 -1.648 1.00 0.00 C ATOM 834 CE1 TYR A 54 0.660 10.785 -4.364 1.00 0.00 C ATOM 835 CE2 TYR A 54 -0.940 11.185 -2.635 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.610 11.025 -3.944 1.00 0.00 C ATOM 837 OH TYR A 54 -1.597 11.110 -4.877 1.00 0.00 O ATOM 0 H TYR A 54 3.484 8.927 -3.017 1.00 0.00 H new ATOM 0 HA TYR A 54 3.944 9.323 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.082 10.919 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.231 11.562 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.723 10.504 -3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.131 11.219 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.881 10.664 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.962 11.375 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.412 10.690 -4.530 1.00 0.00 H new ATOM 847 N GLY A 55 1.742 8.074 0.306 1.00 0.00 N ATOM 848 CA GLY A 55 0.764 7.024 0.540 1.00 0.00 C ATOM 849 C GLY A 55 1.311 5.972 1.507 1.00 0.00 C ATOM 850 O GLY A 55 2.521 5.762 1.583 1.00 0.00 O ATOM 0 H GLY A 55 1.995 8.614 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.150 7.457 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.499 6.551 -0.406 1.00 0.00 H new ATOM 854 N ILE A 56 0.393 5.337 2.221 1.00 0.00 N ATOM 855 CA ILE A 56 0.768 4.312 3.179 1.00 0.00 C ATOM 856 C ILE A 56 1.685 3.294 2.499 1.00 0.00 C ATOM 857 O ILE A 56 2.530 2.682 3.149 1.00 0.00 O ATOM 858 CB ILE A 56 -0.478 3.690 3.813 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.733 4.270 5.206 1.00 0.00 C ATOM 860 CG2 ILE A 56 -0.377 2.163 3.837 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.143 3.368 6.291 1.00 0.00 C ATOM 0 H ILE A 56 -0.610 5.513 2.155 1.00 0.00 H new ATOM 0 HA ILE A 56 1.333 4.749 4.003 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.339 3.946 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.293 5.265 5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.805 4.384 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.275 1.746 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.280 1.789 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.496 1.865 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.338 3.803 7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.603 2.381 6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.933 3.276 6.142 1.00 0.00 H new ATOM 873 N PHE A 57 1.486 3.145 1.197 1.00 0.00 N ATOM 874 CA PHE A 57 2.285 2.211 0.421 1.00 0.00 C ATOM 875 C PHE A 57 3.318 2.951 -0.431 1.00 0.00 C ATOM 876 O PHE A 57 3.876 2.383 -1.369 1.00 0.00 O ATOM 877 CB PHE A 57 1.324 1.461 -0.503 1.00 0.00 C ATOM 878 CG PHE A 57 0.423 0.457 0.220 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.974 -0.522 0.987 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.928 0.544 0.096 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.138 -1.453 1.657 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.764 -0.387 0.767 1.00 0.00 C ATOM 883 CZ PHE A 57 -1.214 -1.367 1.533 1.00 0.00 C ATOM 0 H PHE A 57 0.784 3.655 0.661 1.00 0.00 H new ATOM 0 HA PHE A 57 2.820 1.535 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.698 2.185 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.902 0.934 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.047 -0.591 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.365 1.321 -0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.576 -2.230 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.837 -0.317 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.850 -2.076 2.042 1.00 0.00 H new ATOM 893 N GLN A 58 3.544 4.206 -0.073 1.00 0.00 N ATOM 894 CA GLN A 58 4.501 5.030 -0.794 1.00 0.00 C ATOM 895 C GLN A 58 4.365 4.806 -2.300 1.00 0.00 C ATOM 896 O GLN A 58 5.093 4.001 -2.880 1.00 0.00 O ATOM 897 CB GLN A 58 5.929 4.749 -0.324 1.00 0.00 C ATOM 898 CG GLN A 58 6.832 5.960 -0.559 1.00 0.00 C ATOM 899 CD GLN A 58 7.331 6.539 0.767 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.533 5.836 1.744 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.517 7.855 0.747 1.00 0.00 N ATOM 0 H GLN A 58 3.081 4.673 0.707 1.00 0.00 H new ATOM 0 HA GLN A 58 4.283 6.077 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.923 4.495 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.327 3.885 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.682 5.669 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.285 6.724 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.329 8.384 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.848 8.336 1.583 1.00 0.00 H new ATOM 910 N ILE A 59 3.428 5.531 -2.893 1.00 0.00 N ATOM 911 CA ILE A 59 3.187 5.422 -4.321 1.00 0.00 C ATOM 912 C ILE A 59 3.610 6.723 -5.007 1.00 0.00 C ATOM 913 O ILE A 59 3.481 7.803 -4.431 1.00 0.00 O ATOM 914 CB ILE A 59 1.734 5.029 -4.592 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.485 3.564 -4.227 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.344 5.333 -6.040 1.00 0.00 C ATOM 917 CD1 ILE A 59 0.003 3.314 -3.946 1.00 0.00 C ATOM 0 H ILE A 59 2.826 6.197 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 59 3.794 4.624 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 59 1.092 5.634 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.818 2.921 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.075 3.299 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.306 5.044 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.458 6.400 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.989 4.772 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.147 2.265 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.321 3.941 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.582 3.557 -4.833 1.00 0.00 H new ATOM 929 N ASN A 60 4.107 6.578 -6.227 1.00 0.00 N ATOM 930 CA ASN A 60 4.549 7.728 -6.996 1.00 0.00 C ATOM 931 C ASN A 60 3.390 8.238 -7.855 1.00 0.00 C ATOM 932 O ASN A 60 2.609 7.447 -8.383 1.00 0.00 O ATOM 933 CB ASN A 60 5.702 7.356 -7.930 1.00 0.00 C ATOM 934 CG ASN A 60 6.817 8.402 -7.869 1.00 0.00 C ATOM 935 OD1 ASN A 60 6.586 9.582 -7.663 1.00 0.00 O ATOM 936 ND2 ASN A 60 8.036 7.905 -8.060 1.00 0.00 N ATOM 0 H ASN A 60 4.213 5.681 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 60 4.885 8.493 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.099 6.380 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.334 7.271 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.848 8.522 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.159 6.906 -8.228 1.00 0.00 H new ATOM 943 N SER A 61 3.315 9.556 -7.970 1.00 0.00 N ATOM 944 CA SER A 61 2.265 10.180 -8.757 1.00 0.00 C ATOM 945 C SER A 61 2.742 10.388 -10.195 1.00 0.00 C ATOM 946 O SER A 61 2.035 10.983 -11.007 1.00 0.00 O ATOM 947 CB SER A 61 1.835 11.514 -8.142 1.00 0.00 C ATOM 948 OG SER A 61 0.903 12.207 -8.967 1.00 0.00 O ATOM 0 H SER A 61 3.964 10.209 -7.531 1.00 0.00 H new ATOM 0 HA SER A 61 1.400 9.517 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.390 11.335 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.713 12.140 -7.983 1.00 0.00 H new ATOM 0 HG SER A 61 0.083 11.676 -9.052 1.00 0.00 H new ATOM 954 N ARG A 62 3.938 9.886 -10.467 1.00 0.00 N ATOM 955 CA ARG A 62 4.517 10.010 -11.794 1.00 0.00 C ATOM 956 C ARG A 62 4.101 8.824 -12.667 1.00 0.00 C ATOM 957 O ARG A 62 4.308 8.839 -13.879 1.00 0.00 O ATOM 958 CB ARG A 62 6.044 10.071 -11.724 1.00 0.00 C ATOM 959 CG ARG A 62 6.674 9.547 -13.016 1.00 0.00 C ATOM 960 CD ARG A 62 8.178 9.826 -13.046 1.00 0.00 C ATOM 961 NE ARG A 62 8.562 10.390 -14.360 1.00 0.00 N ATOM 962 CZ ARG A 62 8.823 9.652 -15.447 1.00 0.00 C ATOM 963 NH1 ARG A 62 8.745 8.316 -15.384 1.00 0.00 N ATOM 964 NH2 ARG A 62 9.164 10.251 -16.596 1.00 0.00 N ATOM 0 H ARG A 62 4.522 9.393 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 62 4.147 10.937 -12.233 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.363 11.099 -11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.397 9.481 -10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.498 8.475 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.196 10.018 -13.875 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.443 10.523 -12.251 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.731 8.905 -12.861 1.00 0.00 H new ATOM 0 HE ARG A 62 8.632 11.404 -14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.487 7.861 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.944 7.754 -16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.225 11.268 -16.642 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.363 9.690 -17.424 1.00 0.00 H new ATOM 978 N TYR A 63 3.520 7.827 -12.017 1.00 0.00 N ATOM 979 CA TYR A 63 3.073 6.636 -12.720 1.00 0.00 C ATOM 980 C TYR A 63 1.638 6.276 -12.330 1.00 0.00 C ATOM 981 O TYR A 63 0.826 5.931 -13.186 1.00 0.00 O ATOM 982 CB TYR A 63 4.007 5.508 -12.276 1.00 0.00 C ATOM 983 CG TYR A 63 4.882 4.946 -13.398 1.00 0.00 C ATOM 984 CD1 TYR A 63 4.328 4.122 -14.356 1.00 0.00 C ATOM 985 CD2 TYR A 63 6.224 5.264 -13.452 1.00 0.00 C ATOM 986 CE1 TYR A 63 5.151 3.593 -15.413 1.00 0.00 C ATOM 987 CE2 TYR A 63 7.046 4.736 -14.509 1.00 0.00 C ATOM 988 CZ TYR A 63 6.469 3.925 -15.437 1.00 0.00 C ATOM 989 OH TYR A 63 7.247 3.426 -16.435 1.00 0.00 O ATOM 0 H TYR A 63 3.348 7.819 -11.012 1.00 0.00 H new ATOM 0 HA TYR A 63 3.094 6.796 -13.798 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.651 5.877 -11.477 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.409 4.699 -11.856 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.278 3.874 -14.313 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.657 5.909 -12.702 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.730 2.947 -16.170 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.097 4.978 -14.564 1.00 0.00 H new ATOM 0 HH TYR A 63 8.166 3.748 -16.326 1.00 0.00 H new ATOM 999 N TRP A 64 1.369 6.370 -11.036 1.00 0.00 N ATOM 1000 CA TRP A 64 0.045 6.059 -10.522 1.00 0.00 C ATOM 1001 C TRP A 64 -0.617 7.370 -10.097 1.00 0.00 C ATOM 1002 O TRP A 64 0.049 8.399 -9.984 1.00 0.00 O ATOM 1003 CB TRP A 64 0.125 5.034 -9.388 1.00 0.00 C ATOM 1004 CG TRP A 64 0.659 3.668 -9.820 1.00 0.00 C ATOM 1005 CD1 TRP A 64 -0.038 2.606 -10.248 1.00 0.00 C ATOM 1006 CD2 TRP A 64 2.042 3.254 -9.848 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.789 1.544 -10.549 1.00 0.00 N ATOM 1008 CE2 TRP A 64 2.095 1.951 -10.298 1.00 0.00 C ATOM 1009 CE3 TRP A 64 3.209 3.959 -9.504 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.291 1.239 -10.447 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.396 3.233 -9.657 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.467 1.921 -10.109 1.00 0.00 C ATOM 0 H TRP A 64 2.045 6.657 -10.328 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.569 5.593 -11.293 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.765 5.430 -8.599 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.868 4.905 -8.958 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.113 2.585 -10.345 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.497 0.629 -10.892 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.191 4.979 -9.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.306 0.220 -10.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 5.323 3.728 -9.406 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.424 1.429 -10.199 1.00 0.00 H new ATOM 1023 N CYS A 65 -1.921 7.292 -9.874 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.681 8.460 -9.465 1.00 0.00 C ATOM 1025 C CYS A 65 -2.507 9.545 -10.530 1.00 0.00 C ATOM 1026 O CYS A 65 -1.567 9.496 -11.322 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.261 8.952 -8.078 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.118 10.380 -8.082 1.00 0.00 S ATOM 0 H CYS A 65 -2.470 6.438 -9.969 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.736 8.198 -9.382 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.156 9.223 -7.518 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.788 8.128 -7.544 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.428 10.498 -10.515 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.388 11.592 -11.471 1.00 0.00 C ATOM 1035 C ASN A 66 -3.907 12.866 -10.801 1.00 0.00 C ATOM 1036 O ASN A 66 -4.088 12.904 -9.585 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.277 11.298 -12.681 1.00 0.00 C ATOM 1038 CG ASN A 66 -3.649 11.843 -13.966 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -2.390 11.462 -14.158 1.00 0.00 O flip ATOM 1040 ND2 ASN A 66 -4.268 12.562 -14.733 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.206 10.535 -9.856 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.357 11.714 -11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.428 10.223 -12.773 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.259 11.747 -12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.234 12.817 -14.526 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.820 12.908 -15.582 1.00 0.00 H new ATOM 1047 N ASP A 67 -4.130 13.879 -11.625 1.00 0.00 N ATOM 1048 CA ASP A 67 -4.623 15.152 -11.128 1.00 0.00 C ATOM 1049 C ASP A 67 -5.778 15.627 -12.013 1.00 0.00 C ATOM 1050 O ASP A 67 -6.879 15.875 -11.524 1.00 0.00 O ATOM 1051 CB ASP A 67 -3.529 16.220 -11.166 1.00 0.00 C ATOM 1052 CG ASP A 67 -4.002 17.642 -10.858 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -5.214 17.793 -10.591 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -3.142 18.549 -10.898 1.00 0.00 O ATOM 0 H ASP A 67 -3.978 13.844 -12.633 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.950 15.008 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.752 15.949 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.069 16.212 -12.154 1.00 0.00 H new ATOM 1059 N GLY A 68 -5.486 15.741 -13.301 1.00 0.00 N ATOM 1060 CA GLY A 68 -6.486 16.181 -14.258 1.00 0.00 C ATOM 1061 C GLY A 68 -6.171 17.587 -14.773 1.00 0.00 C ATOM 1062 O GLY A 68 -6.905 18.130 -15.597 1.00 0.00 O ATOM 0 H GLY A 68 -4.571 15.536 -13.703 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.525 15.484 -15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.470 16.173 -13.790 1.00 0.00 H new ATOM 1066 N LYS A 69 -5.076 18.136 -14.267 1.00 0.00 N ATOM 1067 CA LYS A 69 -4.654 19.469 -14.665 1.00 0.00 C ATOM 1068 C LYS A 69 -3.251 19.394 -15.272 1.00 0.00 C ATOM 1069 O LYS A 69 -2.654 20.421 -15.590 1.00 0.00 O ATOM 1070 CB LYS A 69 -4.764 20.440 -13.488 1.00 0.00 C ATOM 1071 CG LYS A 69 -6.099 21.187 -13.517 1.00 0.00 C ATOM 1072 CD LYS A 69 -6.444 21.748 -12.136 1.00 0.00 C ATOM 1073 CE LYS A 69 -7.846 21.315 -11.702 1.00 0.00 C ATOM 1074 NZ LYS A 69 -7.890 21.092 -10.239 1.00 0.00 N ATOM 0 H LYS A 69 -4.468 17.682 -13.585 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.315 19.864 -15.436 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.670 19.893 -12.550 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.942 21.155 -13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.049 22.000 -14.241 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.890 20.513 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.711 21.404 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.386 22.836 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.572 22.079 -11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.129 20.401 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.848 20.799 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.212 20.347 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.641 21.973 -9.746 1.00 0.00 H new ATOM 1088 N THR A 70 -2.767 18.169 -15.413 1.00 0.00 N ATOM 1089 CA THR A 70 -1.446 17.947 -15.976 1.00 0.00 C ATOM 1090 C THR A 70 -1.419 16.642 -16.774 1.00 0.00 C ATOM 1091 O THR A 70 -1.157 15.576 -16.218 1.00 0.00 O ATOM 1092 CB THR A 70 -0.433 17.981 -14.831 1.00 0.00 C ATOM 1093 OG1 THR A 70 0.832 17.925 -15.485 1.00 0.00 O ATOM 1094 CG2 THR A 70 -0.469 16.710 -13.980 1.00 0.00 C ATOM 0 H THR A 70 -3.266 17.320 -15.147 1.00 0.00 H new ATOM 0 HA THR A 70 -1.181 18.730 -16.686 1.00 0.00 H new ATOM 0 HB THR A 70 -0.629 18.847 -14.199 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.547 17.944 -14.816 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.269 16.786 -13.182 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.462 16.591 -13.546 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.240 15.847 -14.605 1.00 0.00 H new ATOM 1102 N PRO A 71 -1.699 16.771 -18.098 1.00 0.00 N ATOM 1103 CA PRO A 71 -1.709 15.615 -18.978 1.00 0.00 C ATOM 1104 C PRO A 71 -0.284 15.151 -19.290 1.00 0.00 C ATOM 1105 O PRO A 71 0.174 15.262 -20.425 1.00 0.00 O ATOM 1106 CB PRO A 71 -2.470 16.067 -20.214 1.00 0.00 C ATOM 1107 CG PRO A 71 -2.455 17.587 -20.180 1.00 0.00 C ATOM 1108 CD PRO A 71 -2.013 18.018 -18.791 1.00 0.00 C ATOM 0 HA PRO A 71 -2.189 14.747 -18.526 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.998 15.692 -21.122 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.491 15.686 -20.205 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.774 17.979 -20.936 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.445 17.984 -20.406 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.144 18.675 -18.838 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.801 18.569 -18.278 1.00 0.00 H new ATOM 1116 N ARG A 72 0.377 14.641 -18.261 1.00 0.00 N ATOM 1117 CA ARG A 72 1.739 14.160 -18.411 1.00 0.00 C ATOM 1118 C ARG A 72 1.907 12.813 -17.704 1.00 0.00 C ATOM 1119 O ARG A 72 2.407 11.857 -18.294 1.00 0.00 O ATOM 1120 CB ARG A 72 2.743 15.160 -17.832 1.00 0.00 C ATOM 1121 CG ARG A 72 3.636 15.739 -18.932 1.00 0.00 C ATOM 1122 CD ARG A 72 4.137 17.133 -18.554 1.00 0.00 C ATOM 1123 NE ARG A 72 5.526 17.318 -19.030 1.00 0.00 N ATOM 1124 CZ ARG A 72 6.169 18.494 -19.033 1.00 0.00 C ATOM 1125 NH1 ARG A 72 5.551 19.596 -18.588 1.00 0.00 N ATOM 1126 NH2 ARG A 72 7.429 18.568 -19.484 1.00 0.00 N ATOM 0 H ARG A 72 -0.006 14.551 -17.320 1.00 0.00 H new ATOM 0 HA ARG A 72 1.934 14.042 -19.477 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.210 15.967 -17.329 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.359 14.668 -17.080 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.485 15.077 -19.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.080 15.790 -19.868 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.489 17.892 -18.992 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.094 17.263 -17.473 1.00 0.00 H new ATOM 0 HE ARG A 72 6.025 16.499 -19.378 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.591 19.540 -18.247 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.040 20.491 -18.590 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.899 17.729 -19.825 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.918 19.463 -19.486 1.00 0.00 H new ATOM 1140 N ALA A 73 1.479 12.781 -16.451 1.00 0.00 N ATOM 1141 CA ALA A 73 1.576 11.568 -15.658 1.00 0.00 C ATOM 1142 C ALA A 73 0.745 10.465 -16.318 1.00 0.00 C ATOM 1143 O ALA A 73 -0.294 10.740 -16.916 1.00 0.00 O ATOM 1144 CB ALA A 73 1.127 11.857 -14.224 1.00 0.00 C ATOM 0 H ALA A 73 1.064 13.576 -15.965 1.00 0.00 H new ATOM 0 HA ALA A 73 2.608 11.221 -15.612 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.200 10.946 -13.629 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.767 12.626 -13.790 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.094 12.205 -14.229 1.00 0.00 H new ATOM 1150 N VAL A 74 1.233 9.240 -16.185 1.00 0.00 N ATOM 1151 CA VAL A 74 0.548 8.095 -16.761 1.00 0.00 C ATOM 1152 C VAL A 74 -0.152 7.312 -15.648 1.00 0.00 C ATOM 1153 O VAL A 74 0.113 6.127 -15.457 1.00 0.00 O ATOM 1154 CB VAL A 74 1.535 7.243 -17.560 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.700 6.782 -16.682 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.831 6.049 -18.207 1.00 0.00 C ATOM 0 H VAL A 74 2.094 9.016 -15.687 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.220 8.422 -17.461 1.00 0.00 H new ATOM 0 HB VAL A 74 1.943 7.864 -18.357 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.386 6.178 -17.276 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.227 7.652 -16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.317 6.187 -15.853 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.556 5.460 -18.769 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.382 5.428 -17.432 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.053 6.407 -18.882 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.032 8.009 -14.943 1.00 0.00 N ATOM 1167 CA ASN A 75 -1.773 7.394 -13.855 1.00 0.00 C ATOM 1168 C ASN A 75 -2.189 5.979 -14.262 1.00 0.00 C ATOM 1169 O ASN A 75 -3.188 5.798 -14.956 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.042 8.186 -13.535 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.902 8.372 -14.787 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.447 8.234 -15.910 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.167 8.691 -14.530 1.00 0.00 N ATOM 0 H ASN A 75 -1.248 8.993 -15.104 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.128 7.376 -12.976 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.616 7.665 -12.769 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.774 9.160 -13.126 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.823 8.836 -15.298 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.482 8.791 -13.565 1.00 0.00 H new ATOM 1180 N ALA A 76 -1.402 5.013 -13.812 1.00 0.00 N ATOM 1181 CA ALA A 76 -1.676 3.619 -14.121 1.00 0.00 C ATOM 1182 C ALA A 76 -2.736 3.086 -13.155 1.00 0.00 C ATOM 1183 O ALA A 76 -3.306 2.020 -13.380 1.00 0.00 O ATOM 1184 CB ALA A 76 -0.375 2.817 -14.059 1.00 0.00 C ATOM 0 H ALA A 76 -0.575 5.168 -13.236 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.072 3.521 -15.132 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.580 1.772 -14.291 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.334 3.217 -14.784 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.050 2.890 -13.058 1.00 0.00 H new ATOM 1190 N CYS A 77 -2.969 3.854 -12.100 1.00 0.00 N ATOM 1191 CA CYS A 77 -3.951 3.472 -11.099 1.00 0.00 C ATOM 1192 C CYS A 77 -5.303 4.063 -11.503 1.00 0.00 C ATOM 1193 O CYS A 77 -6.345 3.446 -11.283 1.00 0.00 O ATOM 1194 CB CYS A 77 -3.531 3.916 -9.697 1.00 0.00 C ATOM 1195 SG CYS A 77 -4.219 2.907 -8.334 1.00 0.00 S ATOM 0 H CYS A 77 -2.495 4.738 -11.917 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.028 2.386 -11.057 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.443 3.892 -9.634 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.836 4.952 -9.553 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.244 5.250 -12.088 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.451 5.931 -12.524 1.00 0.00 C ATOM 1202 C GLY A 78 -7.302 6.361 -11.328 1.00 0.00 C ATOM 1203 O GLY A 78 -8.480 6.016 -11.244 1.00 0.00 O ATOM 0 H GLY A 78 -4.378 5.758 -12.270 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.185 6.805 -13.118 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.032 5.272 -13.169 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.672 7.106 -10.432 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.357 7.587 -9.244 1.00 0.00 C ATOM 1209 C ILE A 79 -6.797 8.957 -8.856 1.00 0.00 C ATOM 1210 O ILE A 79 -5.664 9.288 -9.203 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.276 6.549 -8.122 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.165 6.900 -7.130 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.110 5.138 -8.691 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -4.784 6.675 -7.750 1.00 0.00 C ATOM 0 H ILE A 79 -5.695 7.388 -10.505 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.420 7.723 -9.446 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.217 6.566 -7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.264 7.941 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.268 6.290 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.055 4.420 -7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.963 4.899 -9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.194 5.088 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.013 6.932 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.679 5.628 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.675 7.304 -8.633 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.616 9.715 -8.144 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.216 11.042 -7.705 1.00 0.00 C ATOM 1228 C ASN A 80 -6.024 10.922 -6.754 1.00 0.00 C ATOM 1229 O ASN A 80 -6.054 10.132 -5.812 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.352 11.739 -6.954 1.00 0.00 C ATOM 1231 CG ASN A 80 -8.953 12.867 -7.794 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -8.335 13.890 -8.040 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -10.190 12.626 -8.220 1.00 0.00 N ATOM 0 H ASN A 80 -8.555 9.437 -7.860 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.956 11.626 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.127 11.014 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.977 12.141 -6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.678 13.319 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.651 11.749 -7.978 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.003 11.719 -7.033 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.803 11.712 -6.213 1.00 0.00 C ATOM 1242 C CYS A 81 -4.210 11.978 -4.763 1.00 0.00 C ATOM 1243 O CYS A 81 -3.743 11.301 -3.848 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.772 12.727 -6.712 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.778 12.170 -8.143 1.00 0.00 S ATOM 0 H CYS A 81 -4.982 12.374 -7.815 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.319 10.738 -6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.290 13.647 -6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.097 12.972 -5.892 1.00 0.00 H new ATOM 1250 N SER A 82 -5.078 12.966 -4.596 1.00 0.00 N ATOM 1251 CA SER A 82 -5.554 13.330 -3.273 1.00 0.00 C ATOM 1252 C SER A 82 -6.141 12.103 -2.572 1.00 0.00 C ATOM 1253 O SER A 82 -6.228 12.067 -1.345 1.00 0.00 O ATOM 1254 CB SER A 82 -6.596 14.446 -3.349 1.00 0.00 C ATOM 1255 OG SER A 82 -6.354 15.470 -2.388 1.00 0.00 O ATOM 0 H SER A 82 -5.464 13.526 -5.356 1.00 0.00 H new ATOM 0 HA SER A 82 -4.707 13.700 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.591 14.879 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.589 14.026 -3.189 1.00 0.00 H new ATOM 0 HG SER A 82 -7.040 16.165 -2.470 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.526 11.128 -3.381 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.103 9.902 -2.855 1.00 0.00 C ATOM 1263 C ALA A 83 -6.061 9.181 -1.997 1.00 0.00 C ATOM 1264 O ALA A 83 -6.411 8.378 -1.134 1.00 0.00 O ATOM 1265 CB ALA A 83 -7.606 9.036 -4.010 1.00 0.00 C ATOM 0 H ALA A 83 -6.450 11.161 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.959 10.124 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.038 8.117 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.365 9.582 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.774 8.791 -4.670 1.00 0.00 H new ATOM 1271 N LEU A 84 -4.801 9.496 -2.263 1.00 0.00 N ATOM 1272 CA LEU A 84 -3.707 8.888 -1.527 1.00 0.00 C ATOM 1273 C LEU A 84 -3.276 9.825 -0.397 1.00 0.00 C ATOM 1274 O LEU A 84 -2.228 9.623 0.217 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.569 8.505 -2.477 1.00 0.00 C ATOM 1276 CG LEU A 84 -2.917 7.486 -3.563 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -1.787 7.370 -4.587 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.276 6.131 -2.949 1.00 0.00 C ATOM 0 H LEU A 84 -4.515 10.164 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.031 7.956 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.205 9.412 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.745 8.107 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.799 7.842 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.060 6.639 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.621 8.339 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.874 7.049 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.519 5.425 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.428 5.755 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.137 6.247 -2.290 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.104 10.830 -0.157 1.00 0.00 N ATOM 1291 CA LEU A 85 -3.822 11.800 0.889 1.00 0.00 C ATOM 1292 C LEU A 85 -5.077 12.008 1.738 1.00 0.00 C ATOM 1293 O LEU A 85 -5.275 13.080 2.308 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.266 13.091 0.285 1.00 0.00 C ATOM 1295 CG LEU A 85 -1.975 13.623 0.911 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.445 14.829 0.133 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.174 13.940 2.394 1.00 0.00 C ATOM 0 H LEU A 85 -4.971 10.995 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.045 11.427 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.089 12.925 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.030 13.864 0.364 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.218 12.841 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.527 15.188 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.239 14.536 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.191 15.624 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.241 14.316 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.952 14.696 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.471 13.034 2.923 1.00 0.00 H new ATOM 1309 N GLN A 86 -5.892 10.965 1.796 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.124 11.020 2.567 1.00 0.00 C ATOM 1311 C GLN A 86 -6.907 10.420 3.957 1.00 0.00 C ATOM 1312 O GLN A 86 -5.770 10.260 4.398 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.261 10.309 1.833 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.299 10.711 0.357 1.00 0.00 C ATOM 1315 CD GLN A 86 -9.735 10.968 -0.105 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.168 10.112 -1.027 1.00 0.00 O flip ATOM 1317 NE2 GLN A 86 -10.406 11.882 0.346 1.00 0.00 N flip ATOM 0 H GLN A 86 -5.724 10.077 1.322 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.410 12.065 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.133 9.230 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.212 10.555 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.698 11.608 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.854 9.923 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.012 12.503 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.361 12.025 0.016 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.016 10.103 4.609 1.00 0.00 N ATOM 1327 CA ASP A 87 -7.962 9.523 5.940 1.00 0.00 C ATOM 1328 C ASP A 87 -7.917 7.998 5.826 1.00 0.00 C ATOM 1329 O ASP A 87 -6.931 7.372 6.214 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.200 9.899 6.756 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.353 10.494 5.944 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.951 9.725 5.163 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -10.609 11.705 6.124 1.00 0.00 O ATOM 0 H ASP A 87 -8.957 10.237 4.240 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.072 9.906 6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.560 9.009 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.907 10.616 7.523 1.00 0.00 H new ATOM 1338 N ASP A 88 -8.995 7.445 5.292 1.00 0.00 N ATOM 1339 CA ASP A 88 -9.091 6.004 5.121 1.00 0.00 C ATOM 1340 C ASP A 88 -8.070 5.549 4.077 1.00 0.00 C ATOM 1341 O ASP A 88 -7.658 6.334 3.223 1.00 0.00 O ATOM 1342 CB ASP A 88 -10.482 5.599 4.631 1.00 0.00 C ATOM 1343 CG ASP A 88 -11.129 6.574 3.644 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -10.848 6.427 2.435 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -11.890 7.444 4.122 1.00 0.00 O ATOM 0 H ASP A 88 -9.810 7.968 4.972 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.899 5.537 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.413 4.619 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.138 5.491 5.495 1.00 0.00 H new ATOM 1350 N ILE A 89 -7.691 4.284 4.180 1.00 0.00 N ATOM 1351 CA ILE A 89 -6.725 3.716 3.253 1.00 0.00 C ATOM 1352 C ILE A 89 -7.468 3.000 2.124 1.00 0.00 C ATOM 1353 O ILE A 89 -6.851 2.333 1.295 1.00 0.00 O ATOM 1354 CB ILE A 89 -5.731 2.822 3.998 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -6.396 1.522 4.454 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -5.085 3.574 5.163 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -5.364 0.553 5.037 1.00 0.00 C ATOM 0 H ILE A 89 -8.034 3.637 4.890 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.129 4.504 2.793 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.933 2.550 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.157 1.742 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.904 1.054 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.383 2.917 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.554 4.446 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.857 3.896 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.863 -0.363 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.618 0.316 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.875 1.015 5.895 1.00 0.00 H new ATOM 1369 N THR A 90 -8.783 3.161 2.129 1.00 0.00 N ATOM 1370 CA THR A 90 -9.618 2.538 1.115 1.00 0.00 C ATOM 1371 C THR A 90 -8.989 2.708 -0.270 1.00 0.00 C ATOM 1372 O THR A 90 -9.019 1.788 -1.085 1.00 0.00 O ATOM 1373 CB THR A 90 -11.021 3.138 1.223 1.00 0.00 C ATOM 1374 OG1 THR A 90 -11.837 2.042 1.625 1.00 0.00 O ATOM 1375 CG2 THR A 90 -11.590 3.546 -0.137 1.00 0.00 C ATOM 0 H THR A 90 -9.291 3.714 2.819 1.00 0.00 H new ATOM 0 HA THR A 90 -9.697 1.462 1.273 1.00 0.00 H new ATOM 0 HB THR A 90 -10.994 4.007 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.765 2.343 1.721 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.587 3.966 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.940 4.292 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.649 2.671 -0.784 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.437 3.891 -0.493 1.00 0.00 N ATOM 1384 CA ALA A 91 -7.803 4.193 -1.765 1.00 0.00 C ATOM 1385 C ALA A 91 -6.477 3.437 -1.861 1.00 0.00 C ATOM 1386 O ALA A 91 -6.110 2.953 -2.931 1.00 0.00 O ATOM 1387 CB ALA A 91 -7.623 5.707 -1.899 1.00 0.00 C ATOM 0 H ALA A 91 -8.415 4.652 0.186 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.430 3.865 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.147 5.934 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.597 6.195 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.996 6.072 -1.085 1.00 0.00 H new ATOM 1393 N ALA A 92 -5.794 3.360 -0.729 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.515 2.671 -0.672 1.00 0.00 C ATOM 1395 C ALA A 92 -4.719 1.196 -1.022 1.00 0.00 C ATOM 1396 O ALA A 92 -3.877 0.588 -1.681 1.00 0.00 O ATOM 1397 CB ALA A 92 -3.894 2.861 0.713 1.00 0.00 C ATOM 0 H ALA A 92 -6.101 3.763 0.156 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.821 3.090 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.935 2.344 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.742 3.924 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.561 2.450 1.470 1.00 0.00 H new ATOM 1403 N ILE A 93 -5.843 0.663 -0.566 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.169 -0.730 -0.823 1.00 0.00 C ATOM 1405 C ILE A 93 -6.623 -0.883 -2.275 1.00 0.00 C ATOM 1406 O ILE A 93 -6.078 -1.700 -3.017 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.188 -1.239 0.198 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -6.752 -0.900 1.625 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.445 -2.736 0.017 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -7.683 -1.550 2.651 1.00 0.00 C ATOM 0 H ILE A 93 -6.539 1.170 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.287 -1.358 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.134 -0.727 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.730 -1.242 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.752 0.181 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.173 -3.072 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.833 -2.920 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.512 -3.284 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.351 -1.294 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.700 -1.187 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.662 -2.633 2.527 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.617 -0.085 -2.639 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.151 -0.122 -3.989 1.00 0.00 C ATOM 1424 C GLN A 94 -7.030 0.089 -5.009 1.00 0.00 C ATOM 1425 O GLN A 94 -6.953 -0.623 -6.008 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.260 0.916 -4.169 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.104 0.608 -5.408 1.00 0.00 C ATOM 1428 CD GLN A 94 -9.672 1.473 -6.594 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -9.397 2.655 -6.467 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -9.629 0.819 -7.752 1.00 0.00 N ATOM 0 H GLN A 94 -8.066 0.591 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.589 -1.105 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.897 0.930 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.821 1.910 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.005 -0.446 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.157 0.785 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.872 -0.171 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.353 1.308 -8.604 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.190 1.073 -4.722 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.077 1.388 -5.601 1.00 0.00 C ATOM 1441 C CYS A 95 -4.064 0.244 -5.522 1.00 0.00 C ATOM 1442 O CYS A 95 -3.670 -0.313 -6.546 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.444 2.737 -5.252 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.431 3.476 -6.584 1.00 0.00 S ATOM 0 H CYS A 95 -6.258 1.663 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.436 1.484 -6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.237 3.437 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.820 2.612 -4.367 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.671 -0.072 -4.297 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.711 -1.139 -4.071 1.00 0.00 C ATOM 1451 C ALA A 96 -3.074 -2.340 -4.948 1.00 0.00 C ATOM 1452 O ALA A 96 -2.203 -2.934 -5.583 1.00 0.00 O ATOM 1453 CB ALA A 96 -2.682 -1.493 -2.582 1.00 0.00 C ATOM 0 H ALA A 96 -4.000 0.392 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.707 -0.818 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.962 -2.293 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.391 -0.615 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.672 -1.823 -2.267 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.359 -2.661 -4.955 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.848 -3.779 -5.743 1.00 0.00 C ATOM 1461 C LYS A 97 -4.860 -3.387 -7.222 1.00 0.00 C ATOM 1462 O LYS A 97 -4.493 -4.186 -8.083 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.205 -4.251 -5.220 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.285 -3.195 -5.466 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.683 -3.806 -5.364 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.687 -3.022 -6.213 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.520 -3.946 -7.014 1.00 0.00 N ATOM 0 H LYS A 97 -5.077 -2.166 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.181 -4.635 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.484 -5.183 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.134 -4.462 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.183 -2.389 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.149 -2.753 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.655 -4.845 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.007 -3.811 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.323 -2.416 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.157 -2.336 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.196 -3.398 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.910 -4.506 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.040 -4.584 -6.378 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.285 -2.158 -7.473 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.350 -1.651 -8.833 1.00 0.00 C ATOM 1483 C ARG A 98 -3.950 -1.601 -9.448 1.00 0.00 C ATOM 1484 O ARG A 98 -3.804 -1.626 -10.669 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.967 -0.251 -8.869 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.134 0.236 -10.310 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.608 0.493 -10.634 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.773 0.728 -12.086 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.959 0.846 -12.698 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -10.091 0.751 -11.987 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -9.014 1.060 -14.020 1.00 0.00 N ATOM 0 H ARG A 98 -5.588 -1.498 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.980 -2.328 -9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.936 -0.264 -8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.334 0.444 -8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.561 1.151 -10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.731 -0.507 -10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.211 -0.360 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.967 1.357 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.931 0.805 -12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.049 0.589 -10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.994 0.841 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.152 1.133 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.917 1.150 -14.485 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.957 -1.531 -8.574 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.573 -1.477 -9.017 1.00 0.00 C ATOM 1507 C VAL A 99 -1.032 -2.901 -9.157 1.00 0.00 C ATOM 1508 O VAL A 99 -0.591 -3.297 -10.234 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.751 -0.616 -8.056 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.749 -0.812 -8.293 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.137 0.859 -8.174 1.00 0.00 C ATOM 0 H VAL A 99 -3.082 -1.510 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.502 -1.005 -9.997 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.975 -0.939 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.312 -0.189 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.009 -1.859 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.996 -0.528 -9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.538 1.449 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.955 1.202 -9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.193 0.979 -7.934 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.083 -3.631 -8.053 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.604 -5.003 -8.039 1.00 0.00 C ATOM 1523 C VAL A 100 -1.283 -5.787 -9.164 1.00 0.00 C ATOM 1524 O VAL A 100 -0.690 -6.705 -9.730 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.827 -5.622 -6.658 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -2.102 -6.467 -6.636 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.386 -6.448 -6.225 1.00 0.00 C ATOM 0 H VAL A 100 -1.449 -3.298 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 100 0.470 -5.035 -8.223 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.951 -4.809 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.237 -6.896 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.959 -5.839 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.020 -7.269 -7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.201 -6.877 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.556 -7.250 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.266 -5.807 -6.182 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.515 -5.397 -9.453 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.281 -6.053 -10.499 1.00 0.00 C ATOM 1539 C ARG A 101 -2.414 -6.261 -11.741 1.00 0.00 C ATOM 1540 O ARG A 101 -2.636 -7.196 -12.510 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.513 -5.229 -10.878 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.793 -5.882 -10.353 1.00 0.00 C ATOM 1543 CD ARG A 101 -7.007 -4.981 -10.591 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.440 -5.077 -12.003 1.00 0.00 N ATOM 1545 CZ ARG A 101 -6.921 -4.346 -12.999 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -5.948 -3.461 -12.745 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -7.375 -4.501 -14.251 1.00 0.00 N ATOM 0 H ARG A 101 -3.002 -4.635 -8.981 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.608 -7.019 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.421 -4.222 -10.471 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.569 -5.130 -11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.945 -6.841 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.691 -6.086 -9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.823 -5.275 -9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.757 -3.948 -10.348 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.180 -5.741 -12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.602 -3.343 -11.793 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.554 -2.905 -13.504 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.115 -5.175 -14.445 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.980 -3.945 -15.009 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.442 -5.374 -11.901 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.539 -5.449 -13.037 1.00 0.00 C ATOM 1563 C ASP A 102 0.075 -6.849 -13.104 1.00 0.00 C ATOM 1564 O ASP A 102 -0.187 -7.687 -12.242 1.00 0.00 O ATOM 1565 CB ASP A 102 0.601 -4.438 -12.902 1.00 0.00 C ATOM 1566 CG ASP A 102 0.656 -3.375 -14.001 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.347 -3.268 -14.739 1.00 0.00 O ATOM 1568 OD2 ASP A 102 1.701 -2.693 -14.080 1.00 0.00 O ATOM 0 H ASP A 102 -1.260 -4.600 -11.262 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.112 -5.228 -13.938 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.511 -3.938 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.547 -4.979 -12.893 1.00 0.00 H new ATOM 1573 N PRO A 103 0.903 -7.063 -14.161 1.00 0.00 N ATOM 1574 CA PRO A 103 1.557 -8.346 -14.351 1.00 0.00 C ATOM 1575 C PRO A 103 2.714 -8.524 -13.366 1.00 0.00 C ATOM 1576 O PRO A 103 3.080 -9.648 -13.028 1.00 0.00 O ATOM 1577 CB PRO A 103 2.007 -8.347 -15.802 1.00 0.00 C ATOM 1578 CG PRO A 103 2.004 -6.892 -16.241 1.00 0.00 C ATOM 1579 CD PRO A 103 1.236 -6.093 -15.200 1.00 0.00 C ATOM 0 HA PRO A 103 0.895 -9.189 -14.153 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.001 -8.783 -15.902 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.334 -8.942 -16.419 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.024 -6.519 -16.333 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.538 -6.790 -17.221 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.840 -5.278 -14.802 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.338 -5.646 -15.627 1.00 0.00 H new ATOM 1587 N GLN A 104 3.258 -7.396 -12.932 1.00 0.00 N ATOM 1588 CA GLN A 104 4.365 -7.412 -11.992 1.00 0.00 C ATOM 1589 C GLN A 104 4.014 -8.267 -10.773 1.00 0.00 C ATOM 1590 O GLN A 104 4.230 -9.477 -10.777 1.00 0.00 O ATOM 1591 CB GLN A 104 4.749 -5.991 -11.574 1.00 0.00 C ATOM 1592 CG GLN A 104 3.515 -5.092 -11.485 1.00 0.00 C ATOM 1593 CD GLN A 104 3.618 -4.135 -10.296 1.00 0.00 C ATOM 1594 OE1 GLN A 104 4.542 -3.348 -10.177 1.00 0.00 O ATOM 1595 NE2 GLN A 104 2.619 -4.247 -9.425 1.00 0.00 N ATOM 0 H GLN A 104 2.952 -6.465 -13.215 1.00 0.00 H new ATOM 0 HA GLN A 104 5.229 -7.856 -12.485 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.255 -6.016 -10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.455 -5.575 -12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.409 -4.521 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.620 -5.706 -11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.876 -4.927 -9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.596 -3.652 -8.597 1.00 0.00 H new ATOM 1604 N GLY A 105 3.480 -7.603 -9.759 1.00 0.00 N ATOM 1605 CA GLY A 105 3.098 -8.287 -8.535 1.00 0.00 C ATOM 1606 C GLY A 105 3.757 -7.639 -7.315 1.00 0.00 C ATOM 1607 O GLY A 105 4.715 -6.881 -7.453 1.00 0.00 O ATOM 0 H GLY A 105 3.303 -6.599 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.014 -8.262 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.388 -9.336 -8.595 1.00 0.00 H new ATOM 1611 N ILE A 106 3.216 -7.962 -6.150 1.00 0.00 N ATOM 1612 CA ILE A 106 3.739 -7.421 -4.907 1.00 0.00 C ATOM 1613 C ILE A 106 5.268 -7.385 -4.975 1.00 0.00 C ATOM 1614 O ILE A 106 5.900 -6.537 -4.348 1.00 0.00 O ATOM 1615 CB ILE A 106 3.196 -8.203 -3.710 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.827 -7.670 -3.283 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.197 -8.205 -2.555 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.971 -6.394 -2.450 1.00 0.00 C ATOM 0 H ILE A 106 2.421 -8.591 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 106 3.400 -6.394 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 106 3.057 -9.240 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.221 -7.466 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.302 -8.429 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.785 -8.768 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.128 -8.669 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.393 -7.180 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.983 -6.036 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.557 -6.607 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.475 -5.629 -3.041 1.00 0.00 H new ATOM 1630 N ARG A 107 5.816 -8.316 -5.742 1.00 0.00 N ATOM 1631 CA ARG A 107 7.258 -8.401 -5.900 1.00 0.00 C ATOM 1632 C ARG A 107 7.870 -7.000 -5.955 1.00 0.00 C ATOM 1633 O ARG A 107 8.958 -6.774 -5.429 1.00 0.00 O ATOM 1634 CB ARG A 107 7.628 -9.163 -7.174 1.00 0.00 C ATOM 1635 CG ARG A 107 9.030 -9.765 -7.066 1.00 0.00 C ATOM 1636 CD ARG A 107 9.992 -9.096 -8.051 1.00 0.00 C ATOM 1637 NE ARG A 107 10.289 -10.015 -9.171 1.00 0.00 N ATOM 1638 CZ ARG A 107 10.869 -9.637 -10.318 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.220 -8.358 -10.503 1.00 0.00 N ATOM 1640 NH2 ARG A 107 11.100 -10.541 -11.281 1.00 0.00 N ATOM 0 H ARG A 107 5.288 -9.018 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 107 7.655 -8.940 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.901 -9.955 -7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.582 -8.490 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.404 -9.645 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 107 8.986 -10.836 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.552 -8.175 -8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 107 10.915 -8.821 -7.541 1.00 0.00 H new ATOM 0 HE ARG A 107 10.037 -10.997 -9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.046 -7.670 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.662 -8.072 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.834 -11.516 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.542 -10.254 -12.155 1.00 0.00 H new ATOM 1654 N ALA A 108 7.143 -6.097 -6.596 1.00 0.00 N ATOM 1655 CA ALA A 108 7.601 -4.724 -6.728 1.00 0.00 C ATOM 1656 C ALA A 108 8.173 -4.252 -5.389 1.00 0.00 C ATOM 1657 O ALA A 108 9.145 -3.498 -5.357 1.00 0.00 O ATOM 1658 CB ALA A 108 6.445 -3.844 -7.210 1.00 0.00 C ATOM 0 H ALA A 108 6.240 -6.289 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 108 8.396 -4.654 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.788 -2.814 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.093 -4.204 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.630 -3.887 -6.488 1.00 0.00 H new ATOM 1664 N TRP A 109 7.547 -4.715 -4.317 1.00 0.00 N ATOM 1665 CA TRP A 109 7.982 -4.350 -2.980 1.00 0.00 C ATOM 1666 C TRP A 109 8.902 -5.458 -2.463 1.00 0.00 C ATOM 1667 O TRP A 109 8.730 -5.942 -1.347 1.00 0.00 O ATOM 1668 CB TRP A 109 6.784 -4.094 -2.065 1.00 0.00 C ATOM 1669 CG TRP A 109 5.917 -2.907 -2.492 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.108 -1.607 -2.225 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.707 -2.963 -3.276 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.114 -0.826 -2.778 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.235 -1.677 -3.438 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.034 -4.066 -3.831 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.071 -1.371 -4.153 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.872 -3.743 -4.543 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.384 -2.453 -4.715 1.00 0.00 C ATOM 0 H TRP A 109 6.742 -5.340 -4.347 1.00 0.00 H new ATOM 0 HA TRP A 109 8.540 -3.414 -2.998 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.165 -4.991 -2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.145 -3.921 -1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.936 -1.220 -1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.038 0.189 -2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.385 -5.081 -3.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.722 -0.355 -4.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.316 -4.554 -4.990 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.479 -2.286 -5.280 1.00 0.00 H new ATOM 1688 N VAL A 110 9.861 -5.825 -3.301 1.00 0.00 N ATOM 1689 CA VAL A 110 10.809 -6.867 -2.943 1.00 0.00 C ATOM 1690 C VAL A 110 11.192 -6.716 -1.469 1.00 0.00 C ATOM 1691 O VAL A 110 11.501 -7.702 -0.801 1.00 0.00 O ATOM 1692 CB VAL A 110 12.016 -6.821 -3.882 1.00 0.00 C ATOM 1693 CG1 VAL A 110 12.841 -5.553 -3.653 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.880 -8.073 -3.725 1.00 0.00 C ATOM 0 H VAL A 110 10.002 -5.420 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 110 10.358 -7.852 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 110 11.643 -6.797 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.693 -5.545 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.220 -4.677 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.199 -5.533 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.731 -8.015 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.239 -8.141 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.287 -8.956 -3.961 1.00 0.00 H new ATOM 1704 N ALA A 111 11.159 -5.476 -1.006 1.00 0.00 N ATOM 1705 CA ALA A 111 11.499 -5.184 0.377 1.00 0.00 C ATOM 1706 C ALA A 111 10.902 -6.264 1.283 1.00 0.00 C ATOM 1707 O ALA A 111 11.605 -6.846 2.107 1.00 0.00 O ATOM 1708 CB ALA A 111 11.007 -3.782 0.738 1.00 0.00 C ATOM 0 H ALA A 111 10.902 -4.661 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 111 12.580 -5.196 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.262 -3.563 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.482 -3.050 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.925 -3.732 0.612 1.00 0.00 H new ATOM 1714 N TRP A 112 9.611 -6.498 1.098 1.00 0.00 N ATOM 1715 CA TRP A 112 8.912 -7.497 1.888 1.00 0.00 C ATOM 1716 C TRP A 112 9.619 -8.838 1.688 1.00 0.00 C ATOM 1717 O TRP A 112 9.899 -9.548 2.653 1.00 0.00 O ATOM 1718 CB TRP A 112 7.427 -7.544 1.524 1.00 0.00 C ATOM 1719 CG TRP A 112 6.904 -8.950 1.220 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.809 -9.554 0.028 1.00 0.00 C ATOM 1721 CD2 TRP A 112 6.407 -9.908 2.178 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.288 -10.827 0.147 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.036 -11.048 1.496 1.00 0.00 C ATOM 1724 CE3 TRP A 112 6.276 -9.814 3.575 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 5.509 -12.182 2.127 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 5.747 -10.954 4.190 1.00 0.00 C ATOM 1727 CH2 TRP A 112 5.369 -12.111 3.518 1.00 0.00 C ATOM 0 H TRP A 112 9.031 -6.013 0.413 1.00 0.00 H new ATOM 0 HA TRP A 112 8.944 -7.242 2.947 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.849 -7.122 2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.256 -6.908 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 112 7.103 -9.102 -0.908 1.00 0.00 H new ATOM 0 HE1 TRP A 112 6.119 -11.484 -0.615 1.00 0.00 H new ATOM 0 HE3 TRP A 112 6.561 -8.932 4.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 5.226 -13.063 1.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 5.624 -10.934 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 112 4.969 -12.951 4.067 1.00 0.00 H new ATOM 1738 N ARG A 113 9.888 -9.147 0.428 1.00 0.00 N ATOM 1739 CA ARG A 113 10.558 -10.391 0.088 1.00 0.00 C ATOM 1740 C ARG A 113 12.008 -10.364 0.578 1.00 0.00 C ATOM 1741 O ARG A 113 12.708 -11.374 0.510 1.00 0.00 O ATOM 1742 CB ARG A 113 10.542 -10.631 -1.423 1.00 0.00 C ATOM 1743 CG ARG A 113 10.658 -12.122 -1.742 1.00 0.00 C ATOM 1744 CD ARG A 113 10.644 -12.361 -3.254 1.00 0.00 C ATOM 1745 NE ARG A 113 9.532 -13.271 -3.612 1.00 0.00 N ATOM 1746 CZ ARG A 113 9.591 -14.606 -3.512 1.00 0.00 C ATOM 1747 NH1 ARG A 113 10.708 -15.195 -3.064 1.00 0.00 N ATOM 1748 NH2 ARG A 113 8.533 -15.350 -3.860 1.00 0.00 N ATOM 0 H ARG A 113 9.654 -8.557 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 113 10.020 -11.202 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.620 -10.235 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.366 -10.090 -1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.580 -12.518 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.834 -12.663 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 113 10.532 -11.413 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 113 11.594 -12.791 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 113 8.667 -12.855 -3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.513 -14.627 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.753 -16.211 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.683 -14.900 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.577 -16.366 -3.784 1.00 0.00 H new ATOM 1762 N ALA A 114 12.415 -9.199 1.060 1.00 0.00 N ATOM 1763 CA ALA A 114 13.768 -9.028 1.560 1.00 0.00 C ATOM 1764 C ALA A 114 13.714 -8.523 3.003 1.00 0.00 C ATOM 1765 O ALA A 114 14.590 -7.778 3.437 1.00 0.00 O ATOM 1766 CB ALA A 114 14.537 -8.079 0.639 1.00 0.00 C ATOM 0 H ALA A 114 11.831 -8.364 1.115 1.00 0.00 H new ATOM 0 HA ALA A 114 14.299 -9.980 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.552 -7.951 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.572 -8.497 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.035 -7.112 0.612 1.00 0.00 H new ATOM 1772 N HIS A 115 12.674 -8.949 3.706 1.00 0.00 N ATOM 1773 CA HIS A 115 12.494 -8.550 5.091 1.00 0.00 C ATOM 1774 C HIS A 115 11.723 -9.636 5.843 1.00 0.00 C ATOM 1775 O HIS A 115 12.159 -10.095 6.898 1.00 0.00 O ATOM 1776 CB HIS A 115 11.821 -7.178 5.178 1.00 0.00 C ATOM 1777 CG HIS A 115 12.383 -6.285 6.259 1.00 0.00 C ATOM 1778 ND1 HIS A 115 11.653 -5.908 7.373 1.00 0.00 N ATOM 1779 CD2 HIS A 115 13.609 -5.701 6.385 1.00 0.00 C ATOM 1780 CE1 HIS A 115 12.416 -5.131 8.129 1.00 0.00 C ATOM 1781 NE2 HIS A 115 13.627 -5.003 7.514 1.00 0.00 N ATOM 0 H HIS A 115 11.948 -9.566 3.342 1.00 0.00 H new ATOM 0 HA HIS A 115 13.467 -8.445 5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.921 -6.674 4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.755 -7.318 5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.427 -5.791 5.685 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.129 -4.679 9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.416 -4.460 7.864 1.00 0.00 H new ATOM 1790 N CYS A 116 10.590 -10.016 5.272 1.00 0.00 N ATOM 1791 CA CYS A 116 9.753 -11.040 5.874 1.00 0.00 C ATOM 1792 C CYS A 116 10.207 -12.402 5.346 1.00 0.00 C ATOM 1793 O CYS A 116 10.541 -13.294 6.126 1.00 0.00 O ATOM 1794 CB CYS A 116 8.269 -10.789 5.603 1.00 0.00 C ATOM 1795 SG CYS A 116 7.388 -9.889 6.931 1.00 0.00 S ATOM 0 H CYS A 116 10.231 -9.633 4.397 1.00 0.00 H new ATOM 0 HA CYS A 116 9.866 -11.015 6.958 1.00 0.00 H new ATOM 0 HB2 CYS A 116 8.174 -10.224 4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.776 -11.748 5.444 1.00 0.00 H new ATOM 1800 N GLN A 117 10.207 -12.520 4.027 1.00 0.00 N ATOM 1801 CA GLN A 117 10.614 -13.759 3.387 1.00 0.00 C ATOM 1802 C GLN A 117 11.743 -14.420 4.179 1.00 0.00 C ATOM 1803 O GLN A 117 11.846 -15.646 4.216 1.00 0.00 O ATOM 1804 CB GLN A 117 11.034 -13.514 1.935 1.00 0.00 C ATOM 1805 CG GLN A 117 11.253 -14.837 1.198 1.00 0.00 C ATOM 1806 CD GLN A 117 10.131 -15.095 0.190 1.00 0.00 C ATOM 1807 OE1 GLN A 117 9.132 -14.395 0.141 1.00 0.00 O ATOM 1808 NE2 GLN A 117 10.350 -16.135 -0.608 1.00 0.00 N ATOM 0 H GLN A 117 9.932 -11.778 3.384 1.00 0.00 H new ATOM 0 HA GLN A 117 9.760 -14.436 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.267 -12.931 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.951 -12.925 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.213 -14.815 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 117 11.296 -15.655 1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.208 -16.679 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.660 -16.390 -1.315 1.00 0.00 H new ATOM 1817 N ASN A 118 12.561 -13.580 4.794 1.00 0.00 N ATOM 1818 CA ASN A 118 13.679 -14.067 5.585 1.00 0.00 C ATOM 1819 C ASN A 118 13.178 -15.121 6.574 1.00 0.00 C ATOM 1820 O ASN A 118 13.697 -16.235 6.617 1.00 0.00 O ATOM 1821 CB ASN A 118 14.323 -12.934 6.386 1.00 0.00 C ATOM 1822 CG ASN A 118 15.784 -13.252 6.709 1.00 0.00 C ATOM 1823 OD1 ASN A 118 16.609 -13.459 5.835 1.00 0.00 O ATOM 1824 ND2 ASN A 118 16.057 -13.279 8.011 1.00 0.00 N ATOM 0 H ASN A 118 12.472 -12.564 4.761 1.00 0.00 H new ATOM 0 HA ASN A 118 14.416 -14.489 4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 118 14.266 -12.005 5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.768 -12.777 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 118 17.005 -13.482 8.329 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.319 -13.096 8.691 1.00 0.00 H new ATOM 1831 N ARG A 119 12.174 -14.731 7.346 1.00 0.00 N ATOM 1832 CA ARG A 119 11.596 -15.628 8.332 1.00 0.00 C ATOM 1833 C ARG A 119 10.071 -15.655 8.197 1.00 0.00 C ATOM 1834 O ARG A 119 9.523 -15.155 7.216 1.00 0.00 O ATOM 1835 CB ARG A 119 11.968 -15.197 9.752 1.00 0.00 C ATOM 1836 CG ARG A 119 12.133 -16.412 10.668 1.00 0.00 C ATOM 1837 CD ARG A 119 11.456 -16.177 12.020 1.00 0.00 C ATOM 1838 NE ARG A 119 11.703 -17.327 12.916 1.00 0.00 N ATOM 1839 CZ ARG A 119 10.942 -18.431 12.949 1.00 0.00 C ATOM 1840 NH1 ARG A 119 9.885 -18.540 12.135 1.00 0.00 N ATOM 1841 NH2 ARG A 119 11.242 -19.425 13.796 1.00 0.00 N ATOM 0 H ARG A 119 11.746 -13.806 7.308 1.00 0.00 H new ATOM 0 HA ARG A 119 11.997 -16.625 8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.895 -14.624 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.196 -14.539 10.150 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.703 -17.293 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.193 -16.617 10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 119 11.839 -15.263 12.474 1.00 0.00 H new ATOM 0 HD3 ARG A 119 10.384 -16.038 11.880 1.00 0.00 H new ATOM 0 HE ARG A 119 12.502 -17.278 13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 119 9.658 -17.783 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 119 9.306 -19.380 12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 119 12.048 -19.342 14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.664 -20.265 13.822 1.00 0.00 H new ATOM 1855 N ASP A 120 9.431 -16.245 9.196 1.00 0.00 N ATOM 1856 CA ASP A 120 7.982 -16.343 9.201 1.00 0.00 C ATOM 1857 C ASP A 120 7.399 -15.186 10.014 1.00 0.00 C ATOM 1858 O ASP A 120 7.418 -15.216 11.243 1.00 0.00 O ATOM 1859 CB ASP A 120 7.521 -17.653 9.844 1.00 0.00 C ATOM 1860 CG ASP A 120 6.057 -18.018 9.591 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.521 -17.539 8.568 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.506 -18.767 10.427 1.00 0.00 O ATOM 0 H ASP A 120 9.890 -16.660 10.007 1.00 0.00 H new ATOM 0 HA ASP A 120 7.638 -16.308 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.151 -18.463 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.683 -17.589 10.920 1.00 0.00 H new ATOM 1867 N LEU A 121 6.893 -14.195 9.295 1.00 0.00 N ATOM 1868 CA LEU A 121 6.305 -13.031 9.934 1.00 0.00 C ATOM 1869 C LEU A 121 4.787 -13.204 10.004 1.00 0.00 C ATOM 1870 O LEU A 121 4.055 -12.232 10.185 1.00 0.00 O ATOM 1871 CB LEU A 121 6.746 -11.749 9.223 1.00 0.00 C ATOM 1872 CG LEU A 121 6.646 -10.461 10.041 1.00 0.00 C ATOM 1873 CD1 LEU A 121 8.027 -9.833 10.244 1.00 0.00 C ATOM 1874 CD2 LEU A 121 5.660 -9.480 9.403 1.00 0.00 C ATOM 0 H LEU A 121 6.878 -14.175 8.275 1.00 0.00 H new ATOM 0 HA LEU A 121 6.663 -12.939 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.780 -11.873 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.144 -11.631 8.322 1.00 0.00 H new ATOM 0 HG LEU A 121 6.257 -10.713 11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.928 -8.918 10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.671 -10.535 10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.466 -9.598 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.608 -8.573 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.996 -9.229 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.672 -9.938 9.352 1.00 0.00 H new ATOM 1886 N SER A 122 4.358 -14.449 9.858 1.00 0.00 N ATOM 1887 CA SER A 122 2.941 -14.763 9.903 1.00 0.00 C ATOM 1888 C SER A 122 2.404 -14.562 11.322 1.00 0.00 C ATOM 1889 O SER A 122 1.196 -14.449 11.523 1.00 0.00 O ATOM 1890 CB SER A 122 2.678 -16.196 9.436 1.00 0.00 C ATOM 1891 OG SER A 122 2.527 -16.275 8.021 1.00 0.00 O ATOM 0 H SER A 122 4.968 -15.253 9.708 1.00 0.00 H new ATOM 0 HA SER A 122 2.421 -14.087 9.225 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.502 -16.837 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.778 -16.576 9.919 1.00 0.00 H new ATOM 0 HG SER A 122 2.362 -17.205 7.761 1.00 0.00 H new ATOM 1897 N GLN A 123 3.329 -14.523 12.270 1.00 0.00 N ATOM 1898 CA GLN A 123 2.965 -14.337 13.664 1.00 0.00 C ATOM 1899 C GLN A 123 2.606 -12.873 13.929 1.00 0.00 C ATOM 1900 O GLN A 123 2.121 -12.534 15.007 1.00 0.00 O ATOM 1901 CB GLN A 123 4.089 -14.803 14.592 1.00 0.00 C ATOM 1902 CG GLN A 123 3.603 -14.894 16.039 1.00 0.00 C ATOM 1903 CD GLN A 123 3.288 -16.342 16.421 1.00 0.00 C ATOM 1904 OE1 GLN A 123 2.684 -17.091 15.671 1.00 0.00 O ATOM 1905 NE2 GLN A 123 3.730 -16.693 17.626 1.00 0.00 N ATOM 0 H GLN A 123 4.330 -14.617 12.100 1.00 0.00 H new ATOM 0 HA GLN A 123 2.088 -14.949 13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.455 -15.777 14.266 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.928 -14.110 14.529 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.365 -14.495 16.708 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.713 -14.278 16.167 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.229 -16.016 18.203 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.570 -17.639 17.972 1.00 0.00 H new ATOM 1914 N TYR A 124 2.859 -12.045 12.927 1.00 0.00 N ATOM 1915 CA TYR A 124 2.570 -10.625 13.037 1.00 0.00 C ATOM 1916 C TYR A 124 1.068 -10.361 12.914 1.00 0.00 C ATOM 1917 O TYR A 124 0.558 -9.384 13.462 1.00 0.00 O ATOM 1918 CB TYR A 124 3.291 -9.956 11.866 1.00 0.00 C ATOM 1919 CG TYR A 124 3.747 -8.523 12.154 1.00 0.00 C ATOM 1920 CD1 TYR A 124 4.481 -8.248 13.289 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.424 -7.507 11.276 1.00 0.00 C ATOM 1922 CE1 TYR A 124 4.910 -6.900 13.559 1.00 0.00 C ATOM 1923 CE2 TYR A 124 3.853 -6.160 11.547 1.00 0.00 C ATOM 1924 CZ TYR A 124 4.575 -5.922 12.675 1.00 0.00 C ATOM 1925 OH TYR A 124 4.981 -4.650 12.930 1.00 0.00 O ATOM 0 H TYR A 124 3.261 -12.330 12.034 1.00 0.00 H new ATOM 0 HA TYR A 124 2.896 -10.240 14.003 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.160 -10.556 11.597 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.628 -9.949 11.001 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.734 -9.043 13.975 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.850 -7.723 10.387 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.485 -6.671 14.444 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.607 -5.356 10.869 1.00 0.00 H new ATOM 0 HH TYR A 124 5.823 -4.670 13.432 1.00 0.00 H new ATOM 1935 N ILE A 125 0.400 -11.250 12.192 1.00 0.00 N ATOM 1936 CA ILE A 125 -1.033 -11.125 11.990 1.00 0.00 C ATOM 1937 C ILE A 125 -1.759 -12.136 12.880 1.00 0.00 C ATOM 1938 O ILE A 125 -2.892 -11.900 13.296 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.379 -11.254 10.505 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.698 -12.478 9.888 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -1.039 -9.968 9.749 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.640 -13.198 8.921 1.00 0.00 C ATOM 0 H ILE A 125 0.825 -12.059 11.740 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.374 -10.134 12.288 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.455 -11.405 10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.205 -12.170 9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.388 -13.163 10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.295 -10.087 8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.607 -9.138 10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.027 -9.762 9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.133 -14.064 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.531 -13.526 9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.929 -12.517 8.120 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.076 -13.239 13.147 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.641 -14.286 13.980 1.00 0.00 C ATOM 1956 C ARG A 126 -1.698 -13.830 15.440 1.00 0.00 C ATOM 1957 O ARG A 126 -0.668 -13.527 16.039 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.816 -15.571 13.886 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.481 -16.708 14.664 1.00 0.00 C ATOM 1960 CD ARG A 126 -2.258 -17.634 13.725 1.00 0.00 C ATOM 1961 NE ARG A 126 -3.463 -18.152 14.411 1.00 0.00 N ATOM 1962 CZ ARG A 126 -4.134 -19.247 14.026 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -3.721 -19.944 12.958 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -5.217 -19.644 14.707 1.00 0.00 N ATOM 0 H ARG A 126 -0.136 -13.430 12.801 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.649 -14.488 13.619 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.702 -15.859 12.841 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.185 -15.394 14.279 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.723 -17.280 15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.156 -16.295 15.413 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.546 -17.093 12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.624 -18.463 13.410 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.804 -17.644 15.227 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.897 -19.641 12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.231 -20.777 12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.532 -19.113 15.519 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.727 -20.477 14.413 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.912 -13.798 15.969 1.00 0.00 N ATOM 1979 CA ASN A 127 -3.117 -13.385 17.347 1.00 0.00 C ATOM 1980 C ASN A 127 -3.148 -11.857 17.417 1.00 0.00 C ATOM 1981 O ASN A 127 -2.820 -11.273 18.449 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.978 -13.876 18.245 1.00 0.00 C ATOM 1983 CG ASN A 127 -2.424 -13.947 19.706 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -3.544 -14.314 20.023 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -1.489 -13.576 20.576 1.00 0.00 N ATOM 0 H ASN A 127 -3.764 -14.051 15.468 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.058 -13.814 17.691 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.647 -14.860 17.914 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.123 -13.205 18.154 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -1.689 -13.588 21.576 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.572 -13.280 20.243 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.545 -11.253 16.307 1.00 0.00 N ATOM 1993 CA CYS A 128 -3.624 -9.805 16.230 1.00 0.00 C ATOM 1994 C CYS A 128 -5.079 -9.390 16.457 1.00 0.00 C ATOM 1995 O CYS A 128 -5.345 -8.316 16.996 1.00 0.00 O ATOM 1996 CB CYS A 128 -3.082 -9.279 14.899 1.00 0.00 C ATOM 1997 SG CYS A 128 -2.052 -7.772 15.031 1.00 0.00 S ATOM 0 H CYS A 128 -3.816 -11.741 15.453 1.00 0.00 H new ATOM 0 HA CYS A 128 -2.996 -9.363 17.004 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.492 -10.065 14.427 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.923 -9.071 14.237 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.983 -10.263 16.036 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.404 -10.000 16.188 1.00 0.00 C ATOM 2004 C GLY A 129 -8.082 -9.850 14.825 1.00 0.00 C ATOM 2005 O GLY A 129 -8.992 -9.038 14.666 1.00 0.00 O ATOM 0 H GLY A 129 -5.759 -11.153 15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.871 -10.814 16.743 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -7.549 -9.091 16.772 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.612 -10.646 13.876 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.162 -10.612 12.531 1.00 0.00 C ATOM 2011 C VAL A 130 -9.330 -11.595 12.437 1.00 0.00 C ATOM 2012 O VAL A 130 -10.359 -11.287 11.838 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.060 -10.895 11.507 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -6.806 -12.398 11.377 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.400 -10.276 10.151 1.00 0.00 C ATOM 0 H VAL A 130 -6.857 -11.318 14.011 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.552 -9.620 12.304 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.141 -10.430 11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -6.019 -12.572 10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.498 -12.800 12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.720 -12.895 11.053 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.601 -10.492 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.335 -10.697 9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.506 -9.197 10.260 1.00 0.00 H new