USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ -175:sc= -0.145 (180deg=-0.175) USER MOD Single : A 1 SER OG : rot -21:sc= 0.338 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -85:sc= -3.83! USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= -0.198 (180deg=-1.13) USER MOD Single : A 21 ASN : amide:sc= -4.83! C(o=-4.8!,f=-4.7!) USER MOD Single : A 22 ASN : amide:sc= -11.7! C(o=-12!,f=-2.9!) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.136) USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.436 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.299 (180deg=-0.878!) USER MOD Single : A 35 MET CE :methyl -132:sc= -2.54 (180deg=-6.66!) USER MOD Single : A 37 SER OG : rot -111:sc= 1.03 USER MOD Single : A 38 LYS NZ :NH3+ 132:sc= -0.153 (180deg=-0.832) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00197 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 101:sc= 0.852 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -171:sc= -0.0651 (180deg=-0.334) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 38:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.410 2.706 10.258 1.00 0.00 N ATOM 2 CA SER A 1 23.494 2.526 8.781 1.00 0.00 C ATOM 3 C SER A 1 22.478 1.471 8.339 1.00 0.00 C ATOM 4 O SER A 1 22.236 1.281 7.164 1.00 0.00 O ATOM 5 CB SER A 1 24.903 2.069 8.402 1.00 0.00 C ATOM 6 OG SER A 1 24.992 1.940 6.989 1.00 0.00 O ATOM 0 H1 SER A 1 24.039 3.482 10.550 1.00 0.00 H new ATOM 0 H2 SER A 1 22.431 2.935 10.525 1.00 0.00 H new ATOM 0 H3 SER A 1 23.702 1.827 10.732 1.00 0.00 H new ATOM 0 HA SER A 1 23.275 3.472 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 1 25.639 2.788 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 1 25.130 1.116 8.880 1.00 0.00 H new ATOM 0 HG SER A 1 24.093 1.843 6.612 1.00 0.00 H new ATOM 14 N ASP A 2 21.879 0.784 9.275 1.00 0.00 N ATOM 15 CA ASP A 2 20.876 -0.259 8.915 1.00 0.00 C ATOM 16 C ASP A 2 19.949 -0.503 10.108 1.00 0.00 C ATOM 17 O ASP A 2 19.632 -1.628 10.441 1.00 0.00 O ATOM 18 CB ASP A 2 21.598 -1.561 8.556 1.00 0.00 C ATOM 19 CG ASP A 2 22.534 -1.318 7.370 1.00 0.00 C ATOM 20 OD1 ASP A 2 22.033 -1.082 6.283 1.00 0.00 O ATOM 21 OD2 ASP A 2 23.737 -1.373 7.569 1.00 0.00 O ATOM 0 H ASP A 2 22.042 0.901 10.275 1.00 0.00 H new ATOM 0 HA ASP A 2 20.291 0.078 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 2 22.167 -1.922 9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.872 -2.335 8.307 1.00 0.00 H new ATOM 26 N VAL A 3 19.515 0.545 10.756 1.00 0.00 N ATOM 27 CA VAL A 3 18.611 0.384 11.932 1.00 0.00 C ATOM 28 C VAL A 3 17.155 0.352 11.466 1.00 0.00 C ATOM 29 O VAL A 3 16.395 -0.521 11.835 1.00 0.00 O ATOM 30 CB VAL A 3 18.804 1.560 12.880 1.00 0.00 C ATOM 31 CG1 VAL A 3 17.868 1.414 14.084 1.00 0.00 C ATOM 32 CG2 VAL A 3 20.255 1.598 13.364 1.00 0.00 C ATOM 0 H VAL A 3 19.749 1.510 10.520 1.00 0.00 H new ATOM 0 HA VAL A 3 18.849 -0.549 12.443 1.00 0.00 H new ATOM 0 HB VAL A 3 18.573 2.486 12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 3 18.010 2.258 14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 3 16.834 1.394 13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 3 18.094 0.486 14.610 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.390 2.440 14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.489 0.670 13.886 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.921 1.710 12.509 1.00 0.00 H new ATOM 42 N TYR A 4 16.759 1.304 10.668 1.00 0.00 N ATOM 43 CA TYR A 4 15.348 1.337 10.189 1.00 0.00 C ATOM 44 C TYR A 4 15.137 0.227 9.155 1.00 0.00 C ATOM 45 O TYR A 4 14.054 -0.309 9.022 1.00 0.00 O ATOM 46 CB TYR A 4 15.055 2.715 9.561 1.00 0.00 C ATOM 47 CG TYR A 4 14.585 3.690 10.625 1.00 0.00 C ATOM 48 CD1 TYR A 4 15.151 3.665 11.908 1.00 0.00 C ATOM 49 CD2 TYR A 4 13.579 4.617 10.326 1.00 0.00 C ATOM 50 CE1 TYR A 4 14.713 4.564 12.885 1.00 0.00 C ATOM 51 CE2 TYR A 4 13.141 5.517 11.305 1.00 0.00 C ATOM 52 CZ TYR A 4 13.708 5.491 12.585 1.00 0.00 C ATOM 53 OH TYR A 4 13.276 6.378 13.550 1.00 0.00 O ATOM 0 H TYR A 4 17.351 2.061 10.326 1.00 0.00 H new ATOM 0 HA TYR A 4 14.668 1.176 11.025 1.00 0.00 H new ATOM 0 HB2 TYR A 4 15.953 3.100 9.077 1.00 0.00 H new ATOM 0 HB3 TYR A 4 14.293 2.615 8.788 1.00 0.00 H new ATOM 0 HD1 TYR A 4 15.926 2.950 12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 4 13.141 4.638 9.339 1.00 0.00 H new ATOM 0 HE1 TYR A 4 15.151 4.543 13.872 1.00 0.00 H new ATOM 0 HE2 TYR A 4 12.365 6.232 11.073 1.00 0.00 H new ATOM 0 HH TYR A 4 12.575 6.952 13.176 1.00 0.00 H new ATOM 63 N CYS A 5 16.158 -0.129 8.427 1.00 0.00 N ATOM 64 CA CYS A 5 16.001 -1.209 7.414 1.00 0.00 C ATOM 65 C CYS A 5 15.482 -2.470 8.105 1.00 0.00 C ATOM 66 O CYS A 5 14.609 -3.152 7.605 1.00 0.00 O ATOM 67 CB CYS A 5 17.353 -1.502 6.761 1.00 0.00 C ATOM 68 SG CYS A 5 18.061 0.037 6.126 1.00 0.00 S ATOM 0 H CYS A 5 17.091 0.279 8.489 1.00 0.00 H new ATOM 0 HA CYS A 5 15.294 -0.892 6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 5 18.029 -1.954 7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 5 17.230 -2.220 5.950 1.00 0.00 H new ATOM 73 N GLU A 6 16.011 -2.783 9.257 1.00 0.00 N ATOM 74 CA GLU A 6 15.546 -3.998 9.984 1.00 0.00 C ATOM 75 C GLU A 6 14.164 -3.730 10.584 1.00 0.00 C ATOM 76 O GLU A 6 13.243 -4.504 10.415 1.00 0.00 O ATOM 77 CB GLU A 6 16.534 -4.331 11.104 1.00 0.00 C ATOM 78 CG GLU A 6 17.919 -4.587 10.504 1.00 0.00 C ATOM 79 CD GLU A 6 18.908 -4.914 11.624 1.00 0.00 C ATOM 80 OE1 GLU A 6 18.756 -5.958 12.237 1.00 0.00 O ATOM 81 OE2 GLU A 6 19.801 -4.114 11.851 1.00 0.00 O ATOM 0 H GLU A 6 16.744 -2.250 9.725 1.00 0.00 H new ATOM 0 HA GLU A 6 15.487 -4.838 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.582 -3.509 11.818 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.196 -5.210 11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.872 -5.412 9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.256 -3.710 9.952 1.00 0.00 H new ATOM 88 N VAL A 7 14.012 -2.637 11.281 1.00 0.00 N ATOM 89 CA VAL A 7 12.689 -2.318 11.888 1.00 0.00 C ATOM 90 C VAL A 7 11.632 -2.244 10.785 1.00 0.00 C ATOM 91 O VAL A 7 10.487 -2.599 10.982 1.00 0.00 O ATOM 92 CB VAL A 7 12.767 -0.967 12.605 1.00 0.00 C ATOM 93 CG1 VAL A 7 11.429 -0.674 13.285 1.00 0.00 C ATOM 94 CG2 VAL A 7 13.878 -1.005 13.659 1.00 0.00 C ATOM 0 H VAL A 7 14.747 -1.951 11.456 1.00 0.00 H new ATOM 0 HA VAL A 7 12.420 -3.095 12.604 1.00 0.00 H new ATOM 0 HB VAL A 7 12.986 -0.185 11.878 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.483 0.287 13.796 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.639 -0.642 12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.210 -1.458 14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.931 -0.042 14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.663 -1.788 14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.832 -1.212 13.175 1.00 0.00 H new ATOM 104 N CYS A 8 12.010 -1.784 9.624 1.00 0.00 N ATOM 105 CA CYS A 8 11.034 -1.684 8.504 1.00 0.00 C ATOM 106 C CYS A 8 10.803 -3.072 7.904 1.00 0.00 C ATOM 107 O CYS A 8 9.829 -3.308 7.217 1.00 0.00 O ATOM 108 CB CYS A 8 11.595 -0.749 7.429 1.00 0.00 C ATOM 109 SG CYS A 8 10.422 -0.626 6.054 1.00 0.00 S ATOM 0 H CYS A 8 12.956 -1.472 9.403 1.00 0.00 H new ATOM 0 HA CYS A 8 10.088 -1.289 8.875 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.779 0.239 7.852 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.553 -1.125 7.070 1.00 0.00 H new ATOM 114 N GLU A 9 11.686 -3.999 8.167 1.00 0.00 N ATOM 115 CA GLU A 9 11.507 -5.388 7.609 1.00 0.00 C ATOM 116 C GLU A 9 10.786 -6.260 8.636 1.00 0.00 C ATOM 117 O GLU A 9 10.053 -7.163 8.289 1.00 0.00 O ATOM 118 CB GLU A 9 12.862 -6.039 7.262 1.00 0.00 C ATOM 119 CG GLU A 9 12.609 -7.315 6.458 1.00 0.00 C ATOM 120 CD GLU A 9 13.946 -7.921 6.030 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.920 -7.188 5.987 1.00 0.00 O ATOM 122 OE2 GLU A 9 13.974 -9.109 5.753 1.00 0.00 O ATOM 0 H GLU A 9 12.520 -3.864 8.739 1.00 0.00 H new ATOM 0 HA GLU A 9 10.919 -5.308 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.476 -5.347 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.413 -6.271 8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.049 -8.031 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.002 -7.091 5.581 1.00 0.00 H new ATOM 129 N PHE A 10 10.989 -6.002 9.898 1.00 0.00 N ATOM 130 CA PHE A 10 10.314 -6.825 10.940 1.00 0.00 C ATOM 131 C PHE A 10 8.851 -6.395 11.075 1.00 0.00 C ATOM 132 O PHE A 10 7.987 -7.194 11.375 1.00 0.00 O ATOM 133 CB PHE A 10 11.026 -6.633 12.281 1.00 0.00 C ATOM 134 CG PHE A 10 10.312 -7.431 13.346 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.420 -8.827 13.362 1.00 0.00 C ATOM 136 CD2 PHE A 10 9.540 -6.778 14.316 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.757 -9.570 14.346 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.877 -7.522 15.300 1.00 0.00 C ATOM 139 CZ PHE A 10 8.986 -8.917 15.316 1.00 0.00 C ATOM 0 H PHE A 10 11.591 -5.259 10.252 1.00 0.00 H new ATOM 0 HA PHE A 10 10.355 -7.875 10.650 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.064 -6.956 12.204 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.040 -5.577 12.550 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.015 -9.331 12.615 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.456 -5.701 14.305 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.840 -10.647 14.357 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.281 -7.019 16.047 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.476 -9.490 16.076 1.00 0.00 H new ATOM 149 N LEU A 11 8.565 -5.138 10.861 1.00 0.00 N ATOM 150 CA LEU A 11 7.156 -4.660 10.983 1.00 0.00 C ATOM 151 C LEU A 11 6.419 -4.868 9.659 1.00 0.00 C ATOM 152 O LEU A 11 5.341 -5.428 9.621 1.00 0.00 O ATOM 153 CB LEU A 11 7.150 -3.170 11.333 1.00 0.00 C ATOM 154 CG LEU A 11 7.908 -2.935 12.647 1.00 0.00 C ATOM 155 CD1 LEU A 11 8.045 -1.429 12.884 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.146 -3.577 13.821 1.00 0.00 C ATOM 0 H LEU A 11 9.245 -4.422 10.607 1.00 0.00 H new ATOM 0 HA LEU A 11 6.655 -5.226 11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.613 -2.598 10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.124 -2.814 11.427 1.00 0.00 H new ATOM 0 HG LEU A 11 8.896 -3.390 12.580 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.583 -1.255 13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.596 -0.979 12.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.054 -0.979 12.947 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.693 -3.404 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.154 -3.133 13.897 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.051 -4.649 13.650 1.00 0.00 H new ATOM 168 N VAL A 12 6.981 -4.415 8.572 1.00 0.00 N ATOM 169 CA VAL A 12 6.295 -4.584 7.260 1.00 0.00 C ATOM 170 C VAL A 12 6.095 -6.072 6.968 1.00 0.00 C ATOM 171 O VAL A 12 5.214 -6.442 6.226 1.00 0.00 O ATOM 172 CB VAL A 12 7.135 -3.953 6.148 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.376 -4.045 4.822 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.399 -2.480 6.478 1.00 0.00 C ATOM 0 H VAL A 12 7.881 -3.937 8.535 1.00 0.00 H new ATOM 0 HA VAL A 12 5.324 -4.090 7.301 1.00 0.00 H new ATOM 0 HB VAL A 12 8.083 -4.484 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.974 -3.596 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.185 -5.091 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.428 -3.514 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.998 -2.031 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.450 -1.950 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.937 -2.410 7.423 1.00 0.00 H new ATOM 184 N LYS A 13 6.903 -6.924 7.547 1.00 0.00 N ATOM 185 CA LYS A 13 6.756 -8.392 7.306 1.00 0.00 C ATOM 186 C LYS A 13 5.735 -8.972 8.294 1.00 0.00 C ATOM 187 O LYS A 13 4.880 -9.754 7.930 1.00 0.00 O ATOM 188 CB LYS A 13 8.114 -9.063 7.511 1.00 0.00 C ATOM 189 CG LYS A 13 8.022 -10.601 7.275 1.00 0.00 C ATOM 190 CD LYS A 13 8.594 -11.370 8.478 1.00 0.00 C ATOM 191 CE LYS A 13 7.574 -11.377 9.620 1.00 0.00 C ATOM 192 NZ LYS A 13 8.087 -12.219 10.738 1.00 0.00 N ATOM 0 H LYS A 13 7.661 -6.665 8.179 1.00 0.00 H new ATOM 0 HA LYS A 13 6.408 -8.571 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.844 -8.630 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.470 -8.868 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.983 -10.888 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.570 -10.869 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.835 -12.392 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.523 -10.906 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.395 -10.360 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.619 -11.765 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.395 -12.224 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.236 -13.191 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.988 -11.830 11.081 1.00 0.00 H new ATOM 206 N GLU A 14 5.818 -8.594 9.543 1.00 0.00 N ATOM 207 CA GLU A 14 4.849 -9.122 10.549 1.00 0.00 C ATOM 208 C GLU A 14 3.450 -8.604 10.212 1.00 0.00 C ATOM 209 O GLU A 14 2.483 -9.340 10.185 1.00 0.00 O ATOM 210 CB GLU A 14 5.251 -8.642 11.945 1.00 0.00 C ATOM 211 CG GLU A 14 4.370 -9.323 12.994 1.00 0.00 C ATOM 212 CD GLU A 14 4.844 -8.928 14.394 1.00 0.00 C ATOM 213 OE1 GLU A 14 6.045 -8.861 14.594 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.997 -8.698 15.241 1.00 0.00 O ATOM 0 H GLU A 14 6.513 -7.944 9.909 1.00 0.00 H new ATOM 0 HA GLU A 14 4.852 -10.212 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.300 -8.872 12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.145 -7.559 12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.329 -9.031 12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.416 -10.406 12.875 1.00 0.00 H new ATOM 221 N VAL A 15 3.330 -7.343 9.936 1.00 0.00 N ATOM 222 CA VAL A 15 1.995 -6.804 9.581 1.00 0.00 C ATOM 223 C VAL A 15 1.478 -7.594 8.383 1.00 0.00 C ATOM 224 O VAL A 15 0.351 -8.030 8.361 1.00 0.00 O ATOM 225 CB VAL A 15 2.106 -5.308 9.248 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.770 -5.115 7.881 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.705 -4.685 9.235 1.00 0.00 C ATOM 0 H VAL A 15 4.092 -6.665 9.940 1.00 0.00 H new ATOM 0 HA VAL A 15 1.301 -6.905 10.416 1.00 0.00 H new ATOM 0 HB VAL A 15 2.718 -4.819 10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.842 -4.050 7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.769 -5.551 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.172 -5.607 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.781 -3.624 8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.093 -5.181 8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.244 -4.807 10.215 1.00 0.00 H new ATOM 237 N THR A 16 2.310 -7.801 7.398 1.00 0.00 N ATOM 238 CA THR A 16 1.880 -8.582 6.204 1.00 0.00 C ATOM 239 C THR A 16 1.264 -9.910 6.661 1.00 0.00 C ATOM 240 O THR A 16 0.209 -10.296 6.214 1.00 0.00 O ATOM 241 CB THR A 16 3.109 -8.851 5.317 1.00 0.00 C ATOM 242 OG1 THR A 16 4.256 -8.494 6.042 1.00 0.00 O ATOM 243 CG2 THR A 16 3.037 -8.016 4.038 1.00 0.00 C ATOM 0 H THR A 16 3.271 -7.462 7.369 1.00 0.00 H new ATOM 0 HA THR A 16 1.137 -8.022 5.637 1.00 0.00 H new ATOM 0 HB THR A 16 3.139 -9.905 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.428 -7.535 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.913 -8.218 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.136 -8.277 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.011 -6.957 4.296 1.00 0.00 H new ATOM 251 N LYS A 17 1.925 -10.621 7.537 1.00 0.00 N ATOM 252 CA LYS A 17 1.372 -11.927 8.002 1.00 0.00 C ATOM 253 C LYS A 17 -0.111 -11.755 8.352 1.00 0.00 C ATOM 254 O LYS A 17 -0.928 -12.604 8.057 1.00 0.00 O ATOM 255 CB LYS A 17 2.159 -12.415 9.233 1.00 0.00 C ATOM 256 CG LYS A 17 3.407 -13.185 8.785 1.00 0.00 C ATOM 257 CD LYS A 17 4.148 -13.714 10.014 1.00 0.00 C ATOM 258 CE LYS A 17 5.164 -14.772 9.582 1.00 0.00 C ATOM 259 NZ LYS A 17 4.449 -15.927 8.969 1.00 0.00 N ATOM 0 H LYS A 17 2.820 -10.355 7.949 1.00 0.00 H new ATOM 0 HA LYS A 17 1.467 -12.669 7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.448 -11.565 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.527 -13.056 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.123 -14.012 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.061 -12.533 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.655 -12.896 10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.439 -14.143 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.868 -14.345 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.746 -15.105 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.991 -16.799 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.506 -16.018 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.351 -15.771 7.945 1.00 0.00 H new ATOM 273 N LEU A 18 -0.471 -10.657 8.966 1.00 0.00 N ATOM 274 CA LEU A 18 -1.908 -10.433 9.315 1.00 0.00 C ATOM 275 C LEU A 18 -2.609 -9.747 8.127 1.00 0.00 C ATOM 276 O LEU A 18 -3.714 -10.091 7.763 1.00 0.00 O ATOM 277 CB LEU A 18 -1.971 -9.602 10.629 1.00 0.00 C ATOM 278 CG LEU A 18 -2.402 -8.143 10.388 1.00 0.00 C ATOM 279 CD1 LEU A 18 -3.908 -8.080 10.025 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.125 -7.336 11.664 1.00 0.00 C ATOM 0 H LEU A 18 0.165 -9.908 9.240 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.434 -11.371 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.670 -10.074 11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.992 -9.613 11.109 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.838 -7.722 9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.199 -7.043 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.088 -8.658 9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.497 -8.494 10.843 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.425 -6.299 11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.693 -7.759 12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.061 -7.376 11.896 1.00 0.00 H new ATOM 292 N ILE A 19 -1.967 -8.792 7.521 1.00 0.00 N ATOM 293 CA ILE A 19 -2.564 -8.080 6.359 1.00 0.00 C ATOM 294 C ILE A 19 -2.665 -9.056 5.182 1.00 0.00 C ATOM 295 O ILE A 19 -3.368 -8.813 4.221 1.00 0.00 O ATOM 296 CB ILE A 19 -1.620 -6.900 6.021 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.186 -5.577 6.551 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.364 -6.763 4.513 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.104 -4.488 6.488 1.00 0.00 C ATOM 0 H ILE A 19 -1.037 -8.468 7.786 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.564 -7.706 6.576 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.671 -7.122 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.051 -5.278 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.530 -5.703 7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.696 -5.921 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.905 -7.677 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.309 -6.594 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.510 -3.549 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.252 -4.786 7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.782 -4.355 5.455 1.00 0.00 H new ATOM 311 N ASP A 20 -1.933 -10.134 5.246 1.00 0.00 N ATOM 312 CA ASP A 20 -1.927 -11.128 4.136 1.00 0.00 C ATOM 313 C ASP A 20 -3.337 -11.292 3.552 1.00 0.00 C ATOM 314 O ASP A 20 -3.524 -11.259 2.353 1.00 0.00 O ATOM 315 CB ASP A 20 -1.440 -12.477 4.668 1.00 0.00 C ATOM 316 CG ASP A 20 -1.411 -13.496 3.528 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.466 -13.467 2.757 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.335 -14.289 3.445 1.00 0.00 O ATOM 0 H ASP A 20 -1.329 -10.371 6.033 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.260 -10.773 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.445 -12.371 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.098 -12.825 5.464 1.00 0.00 H new ATOM 323 N ASN A 21 -4.332 -11.466 4.389 1.00 0.00 N ATOM 324 CA ASN A 21 -5.721 -11.630 3.864 1.00 0.00 C ATOM 325 C ASN A 21 -6.755 -11.340 4.960 1.00 0.00 C ATOM 326 O ASN A 21 -7.852 -11.861 4.929 1.00 0.00 O ATOM 327 CB ASN A 21 -5.915 -13.067 3.374 1.00 0.00 C ATOM 328 CG ASN A 21 -5.135 -13.284 2.076 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.350 -14.205 1.972 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.320 -12.469 1.074 1.00 0.00 N ATOM 0 H ASN A 21 -4.242 -11.501 5.404 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.863 -10.926 3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.574 -13.769 4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.974 -13.265 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.806 -12.605 0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.979 -11.695 1.161 1.00 0.00 H new ATOM 337 N ASN A 22 -6.435 -10.518 5.923 1.00 0.00 N ATOM 338 CA ASN A 22 -7.437 -10.224 6.990 1.00 0.00 C ATOM 339 C ASN A 22 -8.543 -9.342 6.411 1.00 0.00 C ATOM 340 O ASN A 22 -9.706 -9.502 6.725 1.00 0.00 O ATOM 341 CB ASN A 22 -6.767 -9.502 8.162 1.00 0.00 C ATOM 342 CG ASN A 22 -6.289 -8.121 7.713 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.269 -7.189 8.492 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.902 -7.947 6.480 1.00 0.00 N ATOM 0 H ASN A 22 -5.537 -10.043 6.018 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.861 -11.161 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.469 -9.403 8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.924 -10.088 8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.583 -7.029 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.918 -8.729 5.825 1.00 0.00 H new ATOM 351 N LYS A 23 -8.184 -8.414 5.559 1.00 0.00 N ATOM 352 CA LYS A 23 -9.198 -7.507 4.934 1.00 0.00 C ATOM 353 C LYS A 23 -9.308 -7.841 3.445 1.00 0.00 C ATOM 354 O LYS A 23 -8.323 -7.890 2.735 1.00 0.00 O ATOM 355 CB LYS A 23 -8.750 -6.051 5.130 1.00 0.00 C ATOM 356 CG LYS A 23 -7.444 -5.776 4.346 1.00 0.00 C ATOM 357 CD LYS A 23 -7.764 -5.130 2.985 1.00 0.00 C ATOM 358 CE LYS A 23 -6.650 -5.440 1.982 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.359 -4.892 2.488 1.00 0.00 N ATOM 0 H LYS A 23 -7.222 -8.244 5.266 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.174 -7.642 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.534 -5.374 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.594 -5.852 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.796 -5.118 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.899 -6.708 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.716 -5.505 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.870 -4.051 3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.568 -6.517 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.887 -5.003 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.669 -4.856 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.511 -3.933 2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.995 -5.504 3.246 1.00 0.00 H new ATOM 373 N THR A 24 -10.499 -8.085 2.967 1.00 0.00 N ATOM 374 CA THR A 24 -10.674 -8.431 1.525 1.00 0.00 C ATOM 375 C THR A 24 -10.758 -7.153 0.684 1.00 0.00 C ATOM 376 O THR A 24 -10.493 -6.066 1.159 1.00 0.00 O ATOM 377 CB THR A 24 -11.957 -9.245 1.354 1.00 0.00 C ATOM 378 OG1 THR A 24 -13.026 -8.588 2.021 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.759 -10.640 1.953 1.00 0.00 C ATOM 0 H THR A 24 -11.360 -8.060 3.513 1.00 0.00 H new ATOM 0 HA THR A 24 -9.819 -9.018 1.189 1.00 0.00 H new ATOM 0 HB THR A 24 -12.193 -9.336 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.590 -9.253 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.673 -11.221 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.939 -11.143 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.524 -10.551 3.014 1.00 0.00 H new ATOM 387 N GLU A 25 -11.115 -7.281 -0.571 1.00 0.00 N ATOM 388 CA GLU A 25 -11.208 -6.083 -1.466 1.00 0.00 C ATOM 389 C GLU A 25 -12.668 -5.642 -1.606 1.00 0.00 C ATOM 390 O GLU A 25 -12.998 -4.831 -2.449 1.00 0.00 O ATOM 391 CB GLU A 25 -10.652 -6.443 -2.849 1.00 0.00 C ATOM 392 CG GLU A 25 -9.439 -7.362 -2.688 1.00 0.00 C ATOM 393 CD GLU A 25 -8.681 -7.449 -4.014 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.333 -7.502 -5.044 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.462 -7.461 -3.978 1.00 0.00 O ATOM 0 H GLU A 25 -11.347 -8.168 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.630 -5.267 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.420 -6.938 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.367 -5.538 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.782 -6.980 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.762 -8.355 -2.376 1.00 0.00 H new ATOM 402 N LYS A 26 -13.546 -6.156 -0.789 1.00 0.00 N ATOM 403 CA LYS A 26 -14.972 -5.750 -0.886 1.00 0.00 C ATOM 404 C LYS A 26 -15.155 -4.466 -0.091 1.00 0.00 C ATOM 405 O LYS A 26 -15.802 -3.534 -0.530 1.00 0.00 O ATOM 406 CB LYS A 26 -15.861 -6.854 -0.302 1.00 0.00 C ATOM 407 CG LYS A 26 -15.993 -8.002 -1.317 1.00 0.00 C ATOM 408 CD LYS A 26 -16.452 -9.291 -0.608 1.00 0.00 C ATOM 409 CE LYS A 26 -15.239 -10.061 -0.071 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.698 -11.096 0.897 1.00 0.00 N ATOM 0 H LYS A 26 -13.336 -6.838 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.251 -5.589 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.432 -7.226 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.846 -6.453 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.709 -7.730 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.036 -8.171 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.127 -9.043 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.011 -9.918 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.699 -10.531 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.545 -9.375 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.876 -11.619 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.195 -10.637 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.344 -11.756 0.419 1.00 0.00 H new ATOM 424 N GLU A 27 -14.575 -4.402 1.076 1.00 0.00 N ATOM 425 CA GLU A 27 -14.707 -3.172 1.894 1.00 0.00 C ATOM 426 C GLU A 27 -13.768 -2.094 1.341 1.00 0.00 C ATOM 427 O GLU A 27 -13.868 -0.935 1.691 1.00 0.00 O ATOM 428 CB GLU A 27 -14.374 -3.473 3.363 1.00 0.00 C ATOM 429 CG GLU A 27 -12.872 -3.717 3.531 1.00 0.00 C ATOM 430 CD GLU A 27 -12.600 -4.267 4.932 1.00 0.00 C ATOM 431 OE1 GLU A 27 -12.950 -3.597 5.889 1.00 0.00 O ATOM 432 OE2 GLU A 27 -12.046 -5.351 5.024 1.00 0.00 O ATOM 0 H GLU A 27 -14.018 -5.147 1.494 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.735 -2.812 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.686 -2.639 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.931 -4.349 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.520 -4.421 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.322 -2.788 3.380 1.00 0.00 H new ATOM 439 N ILE A 28 -12.865 -2.461 0.465 1.00 0.00 N ATOM 440 CA ILE A 28 -11.939 -1.454 -0.119 1.00 0.00 C ATOM 441 C ILE A 28 -12.639 -0.750 -1.280 1.00 0.00 C ATOM 442 O ILE A 28 -13.010 0.403 -1.187 1.00 0.00 O ATOM 443 CB ILE A 28 -10.684 -2.149 -0.661 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.886 -2.813 0.475 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.808 -1.118 -1.372 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.544 -1.800 1.575 1.00 0.00 C ATOM 0 H ILE A 28 -12.733 -3.416 0.132 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.658 -0.737 0.653 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.989 -2.927 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.465 -3.633 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.968 -3.244 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.914 -1.606 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.365 -0.674 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.519 -0.338 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.980 -2.297 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.944 -0.993 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.464 -1.389 1.990 1.00 0.00 H new ATOM 458 N LEU A 29 -12.817 -1.440 -2.378 1.00 0.00 N ATOM 459 CA LEU A 29 -13.488 -0.817 -3.554 1.00 0.00 C ATOM 460 C LEU A 29 -14.744 -0.082 -3.083 1.00 0.00 C ATOM 461 O LEU A 29 -15.133 0.930 -3.636 1.00 0.00 O ATOM 462 CB LEU A 29 -13.863 -1.905 -4.569 1.00 0.00 C ATOM 463 CG LEU A 29 -12.599 -2.671 -5.005 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.993 -4.030 -5.590 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.832 -1.872 -6.068 1.00 0.00 C ATOM 0 H LEU A 29 -12.526 -2.409 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.813 -0.107 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.583 -2.594 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.344 -1.455 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.962 -2.814 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.096 -4.568 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.524 -4.611 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.640 -3.880 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.941 -2.425 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.471 -1.716 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.538 -0.907 -5.656 1.00 0.00 H new ATOM 477 N ASP A 30 -15.365 -0.565 -2.041 1.00 0.00 N ATOM 478 CA ASP A 30 -16.573 0.128 -1.520 1.00 0.00 C ATOM 479 C ASP A 30 -16.117 1.417 -0.844 1.00 0.00 C ATOM 480 O ASP A 30 -16.629 2.494 -1.104 1.00 0.00 O ATOM 481 CB ASP A 30 -17.283 -0.767 -0.502 1.00 0.00 C ATOM 482 CG ASP A 30 -18.537 -0.059 0.013 1.00 0.00 C ATOM 483 OD1 ASP A 30 -19.002 0.845 -0.662 1.00 0.00 O ATOM 484 OD2 ASP A 30 -19.011 -0.432 1.073 1.00 0.00 O ATOM 0 H ASP A 30 -15.089 -1.405 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.266 0.348 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.552 -1.717 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.614 -0.994 0.328 1.00 0.00 H new ATOM 489 N ALA A 31 -15.132 1.319 0.011 1.00 0.00 N ATOM 490 CA ALA A 31 -14.615 2.533 0.695 1.00 0.00 C ATOM 491 C ALA A 31 -14.417 3.633 -0.337 1.00 0.00 C ATOM 492 O ALA A 31 -14.893 4.735 -0.176 1.00 0.00 O ATOM 493 CB ALA A 31 -13.284 2.220 1.369 1.00 0.00 C ATOM 0 H ALA A 31 -14.665 0.448 0.263 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.328 2.858 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.910 3.114 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.425 1.426 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.563 1.896 0.618 1.00 0.00 H new ATOM 499 N PHE A 32 -13.733 3.347 -1.411 1.00 0.00 N ATOM 500 CA PHE A 32 -13.537 4.395 -2.447 1.00 0.00 C ATOM 501 C PHE A 32 -14.902 4.990 -2.797 1.00 0.00 C ATOM 502 O PHE A 32 -15.048 6.183 -2.941 1.00 0.00 O ATOM 503 CB PHE A 32 -12.880 3.788 -3.697 1.00 0.00 C ATOM 504 CG PHE A 32 -11.398 3.608 -3.454 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.522 4.686 -3.635 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.900 2.363 -3.048 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.151 4.518 -3.411 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.529 2.196 -2.825 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.655 3.273 -3.006 1.00 0.00 C ATOM 0 H PHE A 32 -13.306 2.443 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.880 5.177 -2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.340 2.828 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.042 4.438 -4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.905 5.646 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.575 1.532 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.475 5.349 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.146 1.236 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.597 3.144 -2.833 1.00 0.00 H new ATOM 519 N ASP A 33 -15.919 4.179 -2.904 1.00 0.00 N ATOM 520 CA ASP A 33 -17.257 4.742 -3.216 1.00 0.00 C ATOM 521 C ASP A 33 -17.665 5.687 -2.087 1.00 0.00 C ATOM 522 O ASP A 33 -18.654 6.386 -2.177 1.00 0.00 O ATOM 523 CB ASP A 33 -18.280 3.611 -3.343 1.00 0.00 C ATOM 524 CG ASP A 33 -17.714 2.509 -4.240 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.764 2.783 -4.954 1.00 0.00 O ATOM 526 OD2 ASP A 33 -18.240 1.409 -4.197 1.00 0.00 O ATOM 0 H ASP A 33 -15.881 3.166 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.220 5.286 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.516 3.208 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.211 3.994 -3.762 1.00 0.00 H new ATOM 531 N LYS A 34 -16.907 5.699 -1.015 1.00 0.00 N ATOM 532 CA LYS A 34 -17.232 6.590 0.150 1.00 0.00 C ATOM 533 C LYS A 34 -16.249 7.769 0.226 1.00 0.00 C ATOM 534 O LYS A 34 -16.626 8.909 0.042 1.00 0.00 O ATOM 535 CB LYS A 34 -17.135 5.783 1.451 1.00 0.00 C ATOM 536 CG LYS A 34 -17.948 4.490 1.320 1.00 0.00 C ATOM 537 CD LYS A 34 -17.771 3.625 2.588 1.00 0.00 C ATOM 538 CE LYS A 34 -17.969 2.140 2.255 1.00 0.00 C ATOM 539 NZ LYS A 34 -19.408 1.882 1.967 1.00 0.00 N ATOM 0 H LYS A 34 -16.071 5.127 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.242 6.977 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.093 5.548 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.508 6.375 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.002 4.726 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.622 3.933 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.777 3.781 3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.489 3.932 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.360 1.865 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.638 1.522 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.575 0.856 1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.993 2.298 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.662 2.311 1.054 1.00 0.00 H new ATOM 553 N MET A 35 -14.999 7.516 0.520 1.00 0.00 N ATOM 554 CA MET A 35 -14.022 8.646 0.628 1.00 0.00 C ATOM 555 C MET A 35 -13.881 9.318 -0.736 1.00 0.00 C ATOM 556 O MET A 35 -13.918 10.525 -0.851 1.00 0.00 O ATOM 557 CB MET A 35 -12.626 8.158 1.073 1.00 0.00 C ATOM 558 CG MET A 35 -12.716 7.078 2.171 1.00 0.00 C ATOM 559 SD MET A 35 -11.292 5.962 2.025 1.00 0.00 S ATOM 560 CE MET A 35 -11.720 5.251 0.412 1.00 0.00 C ATOM 0 H MET A 35 -14.614 6.587 0.689 1.00 0.00 H new ATOM 0 HA MET A 35 -14.402 9.342 1.376 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.091 7.757 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.047 9.004 1.443 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.729 7.544 3.156 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.645 6.517 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.638 4.165 0.460 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.742 5.527 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.037 5.633 -0.347 1.00 0.00 H new ATOM 570 N CYS A 36 -13.711 8.545 -1.770 1.00 0.00 N ATOM 571 CA CYS A 36 -13.562 9.147 -3.118 1.00 0.00 C ATOM 572 C CYS A 36 -14.938 9.600 -3.606 1.00 0.00 C ATOM 573 O CYS A 36 -15.156 9.822 -4.781 1.00 0.00 O ATOM 574 CB CYS A 36 -12.964 8.111 -4.073 1.00 0.00 C ATOM 575 SG CYS A 36 -12.397 8.947 -5.573 1.00 0.00 S ATOM 0 H CYS A 36 -13.669 7.526 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.894 10.008 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.133 7.594 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.709 7.355 -4.322 1.00 0.00 H new ATOM 580 N SER A 37 -15.867 9.751 -2.696 1.00 0.00 N ATOM 581 CA SER A 37 -17.238 10.203 -3.070 1.00 0.00 C ATOM 582 C SER A 37 -17.308 11.727 -2.955 1.00 0.00 C ATOM 583 O SER A 37 -17.954 12.395 -3.738 1.00 0.00 O ATOM 584 CB SER A 37 -18.256 9.585 -2.111 1.00 0.00 C ATOM 585 OG SER A 37 -18.329 10.377 -0.933 1.00 0.00 O ATOM 0 H SER A 37 -15.731 9.578 -1.700 1.00 0.00 H new ATOM 0 HA SER A 37 -17.461 9.894 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.235 9.529 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.965 8.565 -1.860 1.00 0.00 H new ATOM 0 HG SER A 37 -17.943 9.881 -0.181 1.00 0.00 H new ATOM 591 N LYS A 38 -16.651 12.276 -1.968 1.00 0.00 N ATOM 592 CA LYS A 38 -16.671 13.756 -1.770 1.00 0.00 C ATOM 593 C LYS A 38 -15.551 14.409 -2.585 1.00 0.00 C ATOM 594 O LYS A 38 -15.514 15.612 -2.746 1.00 0.00 O ATOM 595 CB LYS A 38 -16.458 14.063 -0.285 1.00 0.00 C ATOM 596 CG LYS A 38 -15.104 13.501 0.166 1.00 0.00 C ATOM 597 CD LYS A 38 -15.067 13.393 1.692 1.00 0.00 C ATOM 598 CE LYS A 38 -13.647 13.042 2.143 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.724 14.157 1.788 1.00 0.00 N ATOM 0 H LYS A 38 -16.097 11.759 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.631 14.152 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.491 15.140 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.261 13.624 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.941 12.520 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.298 14.148 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.381 14.335 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.767 12.629 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.628 12.868 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.320 12.119 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.135 14.396 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.113 13.864 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.279 14.990 1.506 1.00 0.00 H new ATOM 613 N LEU A 39 -14.634 13.632 -3.096 1.00 0.00 N ATOM 614 CA LEU A 39 -13.519 14.229 -3.893 1.00 0.00 C ATOM 615 C LEU A 39 -14.137 15.154 -4.969 1.00 0.00 C ATOM 616 O LEU A 39 -15.193 14.842 -5.482 1.00 0.00 O ATOM 617 CB LEU A 39 -12.710 13.086 -4.592 1.00 0.00 C ATOM 618 CG LEU A 39 -11.193 13.109 -4.215 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.875 11.961 -3.251 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.338 12.951 -5.484 1.00 0.00 C ATOM 0 H LEU A 39 -14.607 12.617 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.850 14.795 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.136 12.122 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.814 13.180 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.966 14.061 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.816 11.985 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.471 12.071 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.111 11.010 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.282 12.968 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.575 12.003 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.551 13.770 -6.170 1.00 0.00 H new ATOM 632 N PRO A 40 -13.471 16.242 -5.326 1.00 0.00 N ATOM 633 CA PRO A 40 -14.000 17.124 -6.376 1.00 0.00 C ATOM 634 C PRO A 40 -14.323 16.266 -7.606 1.00 0.00 C ATOM 635 O PRO A 40 -13.984 15.102 -7.655 1.00 0.00 O ATOM 636 CB PRO A 40 -12.865 18.135 -6.654 1.00 0.00 C ATOM 637 CG PRO A 40 -11.782 17.929 -5.559 1.00 0.00 C ATOM 638 CD PRO A 40 -12.183 16.680 -4.743 1.00 0.00 C ATOM 0 HA PRO A 40 -14.915 17.647 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.443 17.975 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.246 19.156 -6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.800 17.793 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.717 18.805 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.428 15.898 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.289 16.917 -3.684 1.00 0.00 H new ATOM 646 N LYS A 41 -14.979 16.811 -8.589 1.00 0.00 N ATOM 647 CA LYS A 41 -15.314 15.985 -9.782 1.00 0.00 C ATOM 648 C LYS A 41 -14.041 15.591 -10.533 1.00 0.00 C ATOM 649 O LYS A 41 -13.750 14.429 -10.732 1.00 0.00 O ATOM 650 CB LYS A 41 -16.225 16.771 -10.728 1.00 0.00 C ATOM 651 CG LYS A 41 -16.466 15.954 -12.022 1.00 0.00 C ATOM 652 CD LYS A 41 -15.653 16.528 -13.198 1.00 0.00 C ATOM 653 CE LYS A 41 -16.238 16.008 -14.501 1.00 0.00 C ATOM 654 NZ LYS A 41 -15.391 16.448 -15.646 1.00 0.00 N ATOM 0 H LYS A 41 -15.295 17.780 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.827 15.086 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.176 16.984 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.770 17.731 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.187 14.913 -11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.527 15.964 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.682 17.617 -13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.607 16.235 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.295 14.920 -14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.256 16.378 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.795 16.090 -16.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.358 17.487 -15.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.427 16.074 -15.529 1.00 0.00 H new ATOM 668 N SER A 42 -13.302 16.559 -10.969 1.00 0.00 N ATOM 669 CA SER A 42 -12.054 16.282 -11.738 1.00 0.00 C ATOM 670 C SER A 42 -11.238 15.162 -11.090 1.00 0.00 C ATOM 671 O SER A 42 -10.988 14.127 -11.683 1.00 0.00 O ATOM 672 CB SER A 42 -11.197 17.540 -11.742 1.00 0.00 C ATOM 673 OG SER A 42 -11.948 18.623 -12.274 1.00 0.00 O ATOM 0 H SER A 42 -13.506 17.548 -10.827 1.00 0.00 H new ATOM 0 HA SER A 42 -12.334 15.980 -12.747 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.870 17.773 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.299 17.379 -12.338 1.00 0.00 H new ATOM 0 HG SER A 42 -11.397 19.434 -12.275 1.00 0.00 H new ATOM 679 N LEU A 43 -10.789 15.381 -9.891 1.00 0.00 N ATOM 680 CA LEU A 43 -9.950 14.361 -9.213 1.00 0.00 C ATOM 681 C LEU A 43 -10.798 13.175 -8.745 1.00 0.00 C ATOM 682 O LEU A 43 -10.273 12.222 -8.214 1.00 0.00 O ATOM 683 CB LEU A 43 -9.236 15.009 -8.020 1.00 0.00 C ATOM 684 CG LEU A 43 -8.167 16.006 -8.517 1.00 0.00 C ATOM 685 CD1 LEU A 43 -7.889 17.049 -7.430 1.00 0.00 C ATOM 686 CD2 LEU A 43 -6.858 15.270 -8.843 1.00 0.00 C ATOM 0 H LEU A 43 -10.967 16.226 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.212 13.983 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.960 15.525 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.769 14.240 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.542 16.494 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.134 17.751 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.808 17.589 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.527 16.550 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.115 15.987 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.488 14.771 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.041 14.529 -9.621 1.00 0.00 H new ATOM 698 N SER A 44 -12.093 13.195 -8.957 1.00 0.00 N ATOM 699 CA SER A 44 -12.925 12.029 -8.539 1.00 0.00 C ATOM 700 C SER A 44 -12.933 11.058 -9.701 1.00 0.00 C ATOM 701 O SER A 44 -13.145 9.871 -9.549 1.00 0.00 O ATOM 702 CB SER A 44 -14.359 12.461 -8.242 1.00 0.00 C ATOM 703 OG SER A 44 -15.225 11.344 -8.402 1.00 0.00 O ATOM 0 H SER A 44 -12.603 13.961 -9.397 1.00 0.00 H new ATOM 0 HA SER A 44 -12.515 11.580 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.432 12.850 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.656 13.266 -8.914 1.00 0.00 H new ATOM 0 HG SER A 44 -16.147 11.615 -8.211 1.00 0.00 H new ATOM 709 N GLU A 45 -12.686 11.572 -10.875 1.00 0.00 N ATOM 710 CA GLU A 45 -12.658 10.710 -12.073 1.00 0.00 C ATOM 711 C GLU A 45 -11.291 10.041 -12.148 1.00 0.00 C ATOM 712 O GLU A 45 -11.165 8.897 -12.535 1.00 0.00 O ATOM 713 CB GLU A 45 -12.889 11.560 -13.325 1.00 0.00 C ATOM 714 CG GLU A 45 -14.289 12.175 -13.273 1.00 0.00 C ATOM 715 CD GLU A 45 -15.337 11.073 -13.435 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.621 10.715 -14.566 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.838 10.605 -12.425 1.00 0.00 O ATOM 0 H GLU A 45 -12.502 12.560 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.442 9.955 -12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.137 12.346 -13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.783 10.946 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.435 12.694 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.401 12.917 -14.063 1.00 0.00 H new ATOM 724 N GLU A 46 -10.263 10.751 -11.768 1.00 0.00 N ATOM 725 CA GLU A 46 -8.897 10.159 -11.805 1.00 0.00 C ATOM 726 C GLU A 46 -8.689 9.283 -10.566 1.00 0.00 C ATOM 727 O GLU A 46 -7.823 8.431 -10.533 1.00 0.00 O ATOM 728 CB GLU A 46 -7.856 11.280 -11.818 1.00 0.00 C ATOM 729 CG GLU A 46 -8.073 12.164 -13.047 1.00 0.00 C ATOM 730 CD GLU A 46 -7.018 13.271 -13.073 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.210 14.263 -12.389 1.00 0.00 O ATOM 732 OE2 GLU A 46 -6.035 13.109 -13.778 1.00 0.00 O ATOM 0 H GLU A 46 -10.311 11.714 -11.434 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.787 9.551 -12.703 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.937 11.876 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.851 10.858 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.009 11.565 -13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.072 12.600 -13.023 1.00 0.00 H new ATOM 739 N CYS A 47 -9.479 9.488 -9.545 1.00 0.00 N ATOM 740 CA CYS A 47 -9.335 8.673 -8.302 1.00 0.00 C ATOM 741 C CYS A 47 -10.115 7.364 -8.463 1.00 0.00 C ATOM 742 O CYS A 47 -9.806 6.372 -7.840 1.00 0.00 O ATOM 743 CB CYS A 47 -9.881 9.482 -7.114 1.00 0.00 C ATOM 744 SG CYS A 47 -10.466 8.394 -5.787 1.00 0.00 S ATOM 0 H CYS A 47 -10.221 10.188 -9.518 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.287 8.435 -8.122 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.101 10.140 -6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.698 10.120 -7.451 1.00 0.00 H new ATOM 749 N GLN A 48 -11.112 7.345 -9.306 1.00 0.00 N ATOM 750 CA GLN A 48 -11.891 6.096 -9.516 1.00 0.00 C ATOM 751 C GLN A 48 -11.276 5.379 -10.704 1.00 0.00 C ATOM 752 O GLN A 48 -11.325 4.170 -10.819 1.00 0.00 O ATOM 753 CB GLN A 48 -13.354 6.442 -9.813 1.00 0.00 C ATOM 754 CG GLN A 48 -14.078 6.768 -8.503 1.00 0.00 C ATOM 755 CD GLN A 48 -14.368 5.473 -7.740 1.00 0.00 C ATOM 756 OE1 GLN A 48 -14.741 4.478 -8.329 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.210 5.444 -6.445 1.00 0.00 N ATOM 0 H GLN A 48 -11.420 8.145 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.864 5.465 -8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.407 7.293 -10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.843 5.605 -10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.466 7.432 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.009 7.295 -8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.897 6.279 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.400 4.586 -5.927 1.00 0.00 H new ATOM 766 N GLU A 49 -10.670 6.127 -11.582 1.00 0.00 N ATOM 767 CA GLU A 49 -10.023 5.510 -12.751 1.00 0.00 C ATOM 768 C GLU A 49 -8.768 4.787 -12.267 1.00 0.00 C ATOM 769 O GLU A 49 -8.506 3.654 -12.626 1.00 0.00 O ATOM 770 CB GLU A 49 -9.650 6.600 -13.756 1.00 0.00 C ATOM 771 CG GLU A 49 -9.092 5.963 -15.026 1.00 0.00 C ATOM 772 CD GLU A 49 -10.200 5.186 -15.739 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.923 5.797 -16.509 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.306 3.994 -15.505 1.00 0.00 O ATOM 0 H GLU A 49 -10.600 7.143 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.695 4.803 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.526 7.202 -13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.911 7.272 -13.320 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.691 6.733 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.267 5.295 -14.778 1.00 0.00 H new ATOM 781 N VAL A 50 -7.996 5.430 -11.433 1.00 0.00 N ATOM 782 CA VAL A 50 -6.771 4.774 -10.913 1.00 0.00 C ATOM 783 C VAL A 50 -7.176 3.576 -10.057 1.00 0.00 C ATOM 784 O VAL A 50 -6.579 2.532 -10.135 1.00 0.00 O ATOM 785 CB VAL A 50 -5.963 5.748 -10.061 1.00 0.00 C ATOM 786 CG1 VAL A 50 -6.745 6.090 -8.789 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.638 5.077 -9.684 1.00 0.00 C ATOM 0 H VAL A 50 -8.163 6.377 -11.093 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.157 4.450 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.774 6.666 -10.618 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.166 6.786 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.696 6.549 -9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.930 5.179 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.046 5.759 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.839 4.166 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.086 4.828 -10.590 1.00 0.00 H new ATOM 797 N VAL A 51 -8.195 3.722 -9.244 1.00 0.00 N ATOM 798 CA VAL A 51 -8.653 2.581 -8.388 1.00 0.00 C ATOM 799 C VAL A 51 -8.714 1.324 -9.258 1.00 0.00 C ATOM 800 O VAL A 51 -8.134 0.307 -8.935 1.00 0.00 O ATOM 801 CB VAL A 51 -10.041 2.929 -7.811 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.789 1.660 -7.377 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.877 3.867 -6.597 1.00 0.00 C ATOM 0 H VAL A 51 -8.730 4.583 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.968 2.402 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.621 3.426 -8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.764 1.932 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.922 1.004 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.212 1.141 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.859 4.112 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.281 3.370 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.375 4.783 -6.910 1.00 0.00 H new ATOM 813 N ASP A 52 -9.378 1.396 -10.381 1.00 0.00 N ATOM 814 CA ASP A 52 -9.423 0.211 -11.278 1.00 0.00 C ATOM 815 C ASP A 52 -7.979 -0.221 -11.537 1.00 0.00 C ATOM 816 O ASP A 52 -7.674 -1.392 -11.652 1.00 0.00 O ATOM 817 CB ASP A 52 -10.097 0.586 -12.600 1.00 0.00 C ATOM 818 CG ASP A 52 -10.192 -0.651 -13.495 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.107 -1.433 -13.297 1.00 0.00 O ATOM 820 OD2 ASP A 52 -9.348 -0.795 -14.365 1.00 0.00 O ATOM 0 H ASP A 52 -9.886 2.217 -10.711 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.992 -0.598 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.092 0.988 -12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.527 1.368 -13.102 1.00 0.00 H new ATOM 825 N THR A 53 -7.084 0.734 -11.601 1.00 0.00 N ATOM 826 CA THR A 53 -5.645 0.410 -11.821 1.00 0.00 C ATOM 827 C THR A 53 -4.982 0.090 -10.477 1.00 0.00 C ATOM 828 O THR A 53 -3.973 -0.585 -10.419 1.00 0.00 O ATOM 829 CB THR A 53 -4.953 1.578 -12.531 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.569 1.779 -13.796 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.469 1.259 -12.741 1.00 0.00 C ATOM 0 H THR A 53 -7.292 1.728 -11.510 1.00 0.00 H new ATOM 0 HA THR A 53 -5.553 -0.468 -12.460 1.00 0.00 H new ATOM 0 HB THR A 53 -5.043 2.476 -11.920 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.133 2.526 -14.257 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.985 2.095 -13.246 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.992 1.094 -11.775 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.373 0.361 -13.351 1.00 0.00 H new ATOM 839 N TYR A 54 -5.553 0.560 -9.394 1.00 0.00 N ATOM 840 CA TYR A 54 -4.984 0.287 -8.036 1.00 0.00 C ATOM 841 C TYR A 54 -6.105 -0.221 -7.132 1.00 0.00 C ATOM 842 O TYR A 54 -6.557 0.476 -6.245 1.00 0.00 O ATOM 843 CB TYR A 54 -4.425 1.572 -7.428 1.00 0.00 C ATOM 844 CG TYR A 54 -3.151 1.959 -8.131 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.208 2.386 -9.449 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.926 1.917 -7.460 1.00 0.00 C ATOM 847 CE1 TYR A 54 -2.051 2.777 -10.118 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.756 2.310 -8.121 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.817 2.743 -9.454 1.00 0.00 C ATOM 850 OH TYR A 54 0.333 3.131 -10.109 1.00 0.00 O ATOM 0 H TYR A 54 -6.400 1.128 -9.393 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.186 -0.450 -8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.157 2.375 -7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.235 1.429 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.158 2.416 -9.961 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.882 1.582 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.104 3.105 -11.145 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.192 2.280 -7.605 1.00 0.00 H new ATOM 0 HH TYR A 54 1.099 3.047 -9.503 1.00 0.00 H new ATOM 860 N GLY A 55 -6.566 -1.420 -7.356 1.00 0.00 N ATOM 861 CA GLY A 55 -7.669 -1.980 -6.515 1.00 0.00 C ATOM 862 C GLY A 55 -7.381 -3.445 -6.194 1.00 0.00 C ATOM 863 O GLY A 55 -7.313 -3.835 -5.051 1.00 0.00 O ATOM 0 H GLY A 55 -6.226 -2.042 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.762 -1.407 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.620 -1.893 -7.041 1.00 0.00 H new ATOM 867 N SER A 56 -7.224 -4.264 -7.191 1.00 0.00 N ATOM 868 CA SER A 56 -6.945 -5.710 -6.936 1.00 0.00 C ATOM 869 C SER A 56 -5.432 -5.932 -6.820 1.00 0.00 C ATOM 870 O SER A 56 -4.979 -6.900 -6.240 1.00 0.00 O ATOM 871 CB SER A 56 -7.488 -6.538 -8.102 1.00 0.00 C ATOM 872 OG SER A 56 -6.482 -6.663 -9.099 1.00 0.00 O ATOM 0 H SER A 56 -7.276 -3.999 -8.175 1.00 0.00 H new ATOM 0 HA SER A 56 -7.427 -6.015 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.793 -7.524 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.374 -6.060 -8.521 1.00 0.00 H new ATOM 0 HG SER A 56 -6.827 -7.195 -9.847 1.00 0.00 H new ATOM 878 N SER A 57 -4.646 -5.037 -7.356 1.00 0.00 N ATOM 879 CA SER A 57 -3.162 -5.192 -7.271 1.00 0.00 C ATOM 880 C SER A 57 -2.682 -4.524 -5.998 1.00 0.00 C ATOM 881 O SER A 57 -2.189 -5.170 -5.111 1.00 0.00 O ATOM 882 CB SER A 57 -2.481 -4.525 -8.467 1.00 0.00 C ATOM 883 OG SER A 57 -2.934 -5.133 -9.669 1.00 0.00 O ATOM 0 H SER A 57 -4.966 -4.204 -7.850 1.00 0.00 H new ATOM 0 HA SER A 57 -2.912 -6.253 -7.272 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.706 -3.459 -8.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.399 -4.622 -8.383 1.00 0.00 H new ATOM 0 HG SER A 57 -2.499 -4.705 -10.436 1.00 0.00 H new ATOM 889 N ILE A 58 -2.839 -3.229 -5.906 1.00 0.00 N ATOM 890 CA ILE A 58 -2.410 -2.477 -4.684 1.00 0.00 C ATOM 891 C ILE A 58 -2.581 -3.345 -3.438 1.00 0.00 C ATOM 892 O ILE A 58 -1.717 -3.410 -2.586 1.00 0.00 O ATOM 893 CB ILE A 58 -3.284 -1.232 -4.567 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.831 -0.371 -3.376 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.749 -1.633 -4.384 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.866 0.733 -3.125 1.00 0.00 C ATOM 0 H ILE A 58 -3.253 -2.650 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.359 -2.202 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.183 -0.651 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.720 -0.991 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.855 0.069 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.364 -0.737 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.076 -2.220 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.853 -2.229 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.548 1.345 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.954 1.358 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.833 0.282 -2.901 1.00 0.00 H new ATOM 908 N LEU A 59 -3.692 -4.011 -3.330 1.00 0.00 N ATOM 909 CA LEU A 59 -3.917 -4.879 -2.129 1.00 0.00 C ATOM 910 C LEU A 59 -3.205 -6.231 -2.304 1.00 0.00 C ATOM 911 O LEU A 59 -2.794 -6.840 -1.342 1.00 0.00 O ATOM 912 CB LEU A 59 -5.418 -5.166 -1.884 1.00 0.00 C ATOM 913 CG LEU A 59 -6.284 -3.967 -2.257 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.749 -4.401 -2.324 1.00 0.00 C ATOM 915 CD2 LEU A 59 -6.126 -2.847 -1.221 1.00 0.00 C ATOM 0 H LEU A 59 -4.452 -3.998 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.515 -4.332 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.724 -6.033 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.575 -5.417 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.965 -3.590 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.370 -3.546 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.863 -5.181 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.059 -4.786 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.751 -2.000 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.431 -3.213 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.083 -2.532 -1.182 1.00 0.00 H new ATOM 927 N SER A 60 -3.097 -6.730 -3.513 1.00 0.00 N ATOM 928 CA SER A 60 -2.445 -8.069 -3.725 1.00 0.00 C ATOM 929 C SER A 60 -0.991 -7.900 -4.184 1.00 0.00 C ATOM 930 O SER A 60 -0.312 -8.862 -4.484 1.00 0.00 O ATOM 931 CB SER A 60 -3.219 -8.834 -4.798 1.00 0.00 C ATOM 932 OG SER A 60 -4.588 -8.912 -4.423 1.00 0.00 O ATOM 0 H SER A 60 -3.430 -6.272 -4.361 1.00 0.00 H new ATOM 0 HA SER A 60 -2.454 -8.616 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.122 -8.332 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.805 -9.835 -4.917 1.00 0.00 H new ATOM 0 HG SER A 60 -5.102 -8.241 -4.919 1.00 0.00 H new ATOM 938 N ILE A 61 -0.522 -6.689 -4.282 1.00 0.00 N ATOM 939 CA ILE A 61 0.867 -6.445 -4.767 1.00 0.00 C ATOM 940 C ILE A 61 1.864 -6.454 -3.586 1.00 0.00 C ATOM 941 O ILE A 61 2.697 -7.333 -3.503 1.00 0.00 O ATOM 942 CB ILE A 61 0.857 -5.120 -5.568 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.018 -5.064 -6.564 1.00 0.00 C ATOM 944 CG2 ILE A 61 0.900 -3.904 -4.662 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.361 -5.127 -5.841 1.00 0.00 C ATOM 0 H ILE A 61 -1.047 -5.847 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 61 1.206 -7.241 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.084 -5.099 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.940 -5.894 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.958 -4.145 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.891 -2.998 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.031 -3.909 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.809 -3.930 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.169 -5.086 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.446 -4.283 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.428 -6.058 -5.278 1.00 0.00 H new ATOM 957 N LEU A 62 1.810 -5.515 -2.678 1.00 0.00 N ATOM 958 CA LEU A 62 2.789 -5.533 -1.543 1.00 0.00 C ATOM 959 C LEU A 62 2.803 -6.912 -0.873 1.00 0.00 C ATOM 960 O LEU A 62 3.702 -7.238 -0.124 1.00 0.00 O ATOM 961 CB LEU A 62 2.411 -4.467 -0.497 1.00 0.00 C ATOM 962 CG LEU A 62 2.865 -3.060 -0.973 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.795 -2.396 -1.864 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.158 -2.177 0.250 1.00 0.00 C ATOM 0 H LEU A 62 1.141 -4.745 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 62 3.779 -5.315 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.333 -4.473 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.879 -4.704 0.459 1.00 0.00 H new ATOM 0 HG LEU A 62 3.770 -3.173 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.144 -1.413 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.616 -3.017 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.868 -2.288 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.477 -1.189 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.256 -2.083 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.949 -2.632 0.846 1.00 0.00 H new ATOM 976 N LEU A 63 1.792 -7.697 -1.091 1.00 0.00 N ATOM 977 CA LEU A 63 1.704 -9.022 -0.431 1.00 0.00 C ATOM 978 C LEU A 63 2.457 -10.124 -1.188 1.00 0.00 C ATOM 979 O LEU A 63 3.223 -10.855 -0.591 1.00 0.00 O ATOM 980 CB LEU A 63 0.231 -9.395 -0.345 1.00 0.00 C ATOM 981 CG LEU A 63 -0.473 -8.440 0.626 1.00 0.00 C ATOM 982 CD1 LEU A 63 -0.494 -7.004 0.072 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.904 -8.935 0.873 1.00 0.00 C ATOM 0 H LEU A 63 1.011 -7.473 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 63 2.169 -8.944 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.230 -9.336 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.123 -10.425 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 63 0.078 -8.426 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.999 -6.348 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.528 -6.657 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.026 -6.989 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.409 -8.259 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.448 -8.962 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.874 -9.936 1.303 1.00 0.00 H new ATOM 995 N GLU A 64 2.215 -10.302 -2.472 1.00 0.00 N ATOM 996 CA GLU A 64 2.894 -11.425 -3.217 1.00 0.00 C ATOM 997 C GLU A 64 3.740 -10.932 -4.381 1.00 0.00 C ATOM 998 O GLU A 64 4.924 -11.198 -4.439 1.00 0.00 O ATOM 999 CB GLU A 64 1.822 -12.358 -3.768 1.00 0.00 C ATOM 1000 CG GLU A 64 1.075 -13.026 -2.612 1.00 0.00 C ATOM 1001 CD GLU A 64 -0.019 -13.938 -3.171 1.00 0.00 C ATOM 1002 OE1 GLU A 64 -1.090 -13.433 -3.465 1.00 0.00 O ATOM 1003 OE2 GLU A 64 0.234 -15.124 -3.297 1.00 0.00 O ATOM 0 H GLU A 64 1.585 -9.727 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 64 3.556 -11.931 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.123 -11.798 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.278 -13.116 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.769 -13.604 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.635 -12.269 -1.963 1.00 0.00 H new ATOM 1010 N GLU A 65 3.171 -10.228 -5.319 1.00 0.00 N ATOM 1011 CA GLU A 65 3.995 -9.751 -6.467 1.00 0.00 C ATOM 1012 C GLU A 65 5.232 -9.053 -5.915 1.00 0.00 C ATOM 1013 O GLU A 65 6.175 -8.749 -6.617 1.00 0.00 O ATOM 1014 CB GLU A 65 3.174 -8.790 -7.323 1.00 0.00 C ATOM 1015 CG GLU A 65 1.868 -9.469 -7.728 1.00 0.00 C ATOM 1016 CD GLU A 65 1.065 -8.535 -8.635 1.00 0.00 C ATOM 1017 OE1 GLU A 65 0.283 -7.759 -8.111 1.00 0.00 O ATOM 1018 OE2 GLU A 65 1.245 -8.612 -9.840 1.00 0.00 O ATOM 0 H GLU A 65 2.186 -9.965 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 65 4.300 -10.591 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.965 -7.876 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.738 -8.502 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.078 -10.404 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.286 -9.720 -6.841 1.00 0.00 H new ATOM 1025 N VAL A 66 5.206 -8.806 -4.643 1.00 0.00 N ATOM 1026 CA VAL A 66 6.327 -8.135 -3.953 1.00 0.00 C ATOM 1027 C VAL A 66 6.492 -8.742 -2.551 1.00 0.00 C ATOM 1028 O VAL A 66 5.570 -9.302 -1.992 1.00 0.00 O ATOM 1029 CB VAL A 66 5.954 -6.658 -3.856 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.670 -5.984 -2.692 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.305 -5.976 -5.171 1.00 0.00 C ATOM 0 H VAL A 66 4.426 -9.051 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 66 7.269 -8.259 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 66 4.883 -6.570 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.384 -4.933 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.391 -6.475 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.748 -6.061 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.043 -4.919 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.374 -6.075 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.749 -6.444 -5.983 1.00 0.00 H new ATOM 1041 N SER A 67 7.660 -8.600 -1.975 1.00 0.00 N ATOM 1042 CA SER A 67 7.908 -9.126 -0.597 1.00 0.00 C ATOM 1043 C SER A 67 7.881 -7.922 0.363 1.00 0.00 C ATOM 1044 O SER A 67 8.160 -6.823 -0.065 1.00 0.00 O ATOM 1045 CB SER A 67 9.285 -9.803 -0.559 1.00 0.00 C ATOM 1046 OG SER A 67 9.144 -11.169 -0.928 1.00 0.00 O ATOM 0 H SER A 67 8.461 -8.137 -2.405 1.00 0.00 H new ATOM 0 HA SER A 67 7.154 -9.858 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.971 -9.299 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.714 -9.726 0.440 1.00 0.00 H new ATOM 0 HG SER A 67 10.021 -11.606 -0.907 1.00 0.00 H new ATOM 1052 N PRO A 68 7.545 -8.136 1.620 1.00 0.00 N ATOM 1053 CA PRO A 68 7.481 -7.027 2.597 1.00 0.00 C ATOM 1054 C PRO A 68 8.827 -6.274 2.655 1.00 0.00 C ATOM 1055 O PRO A 68 8.872 -5.056 2.716 1.00 0.00 O ATOM 1056 CB PRO A 68 7.146 -7.709 3.947 1.00 0.00 C ATOM 1057 CG PRO A 68 7.114 -9.245 3.697 1.00 0.00 C ATOM 1058 CD PRO A 68 7.214 -9.467 2.174 1.00 0.00 C ATOM 0 HA PRO A 68 6.735 -6.278 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.893 -7.458 4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.184 -7.361 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.941 -9.735 4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.194 -9.678 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.984 -10.200 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.276 -9.843 1.766 1.00 0.00 H new ATOM 1066 N GLU A 69 9.921 -6.987 2.648 1.00 0.00 N ATOM 1067 CA GLU A 69 11.252 -6.314 2.720 1.00 0.00 C ATOM 1068 C GLU A 69 11.454 -5.390 1.513 1.00 0.00 C ATOM 1069 O GLU A 69 11.877 -4.258 1.654 1.00 0.00 O ATOM 1070 CB GLU A 69 12.360 -7.372 2.746 1.00 0.00 C ATOM 1071 CG GLU A 69 13.693 -6.706 3.093 1.00 0.00 C ATOM 1072 CD GLU A 69 14.799 -7.763 3.126 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.642 -8.777 2.467 1.00 0.00 O ATOM 1074 OE2 GLU A 69 15.785 -7.539 3.809 1.00 0.00 O ATOM 0 H GLU A 69 9.952 -8.005 2.596 1.00 0.00 H new ATOM 0 HA GLU A 69 11.293 -5.715 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.124 -8.143 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.429 -7.865 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.931 -5.939 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.622 -6.208 4.060 1.00 0.00 H new ATOM 1081 N LEU A 70 11.161 -5.852 0.330 1.00 0.00 N ATOM 1082 CA LEU A 70 11.345 -4.987 -0.865 1.00 0.00 C ATOM 1083 C LEU A 70 10.619 -3.657 -0.631 1.00 0.00 C ATOM 1084 O LEU A 70 11.163 -2.597 -0.863 1.00 0.00 O ATOM 1085 CB LEU A 70 10.781 -5.715 -2.095 1.00 0.00 C ATOM 1086 CG LEU A 70 10.596 -4.747 -3.272 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.923 -4.047 -3.582 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.139 -5.529 -4.511 1.00 0.00 C ATOM 0 H LEU A 70 10.803 -6.788 0.140 1.00 0.00 H new ATOM 0 HA LEU A 70 12.402 -4.781 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.455 -6.521 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.825 -6.174 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 70 9.845 -4.002 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.786 -3.361 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.254 -3.489 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.675 -4.792 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.008 -4.842 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.891 -6.274 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.193 -6.027 -4.298 1.00 0.00 H new ATOM 1100 N VAL A 71 9.395 -3.700 -0.170 1.00 0.00 N ATOM 1101 CA VAL A 71 8.645 -2.429 0.076 1.00 0.00 C ATOM 1102 C VAL A 71 9.559 -1.438 0.793 1.00 0.00 C ATOM 1103 O VAL A 71 9.723 -0.314 0.364 1.00 0.00 O ATOM 1104 CB VAL A 71 7.412 -2.712 0.937 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.418 -1.546 0.832 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.753 -3.998 0.442 1.00 0.00 C ATOM 0 H VAL A 71 8.883 -4.556 0.046 1.00 0.00 H new ATOM 0 HA VAL A 71 8.322 -2.006 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 71 7.710 -2.824 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.544 -1.757 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.894 -0.629 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.109 -1.423 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.872 -4.212 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.457 -3.877 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.459 -4.824 0.525 1.00 0.00 H new ATOM 1116 N CYS A 72 10.179 -1.849 1.868 1.00 0.00 N ATOM 1117 CA CYS A 72 11.104 -0.919 2.579 1.00 0.00 C ATOM 1118 C CYS A 72 12.061 -0.311 1.553 1.00 0.00 C ATOM 1119 O CYS A 72 12.457 0.833 1.657 1.00 0.00 O ATOM 1120 CB CYS A 72 11.899 -1.682 3.630 1.00 0.00 C ATOM 1121 SG CYS A 72 10.785 -2.266 4.930 1.00 0.00 S ATOM 0 H CYS A 72 10.087 -2.777 2.280 1.00 0.00 H new ATOM 0 HA CYS A 72 10.533 -0.133 3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 72 12.412 -2.527 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.667 -1.038 4.058 1.00 0.00 H new ATOM 1126 N SER A 73 12.416 -1.067 0.547 1.00 0.00 N ATOM 1127 CA SER A 73 13.324 -0.527 -0.501 1.00 0.00 C ATOM 1128 C SER A 73 12.520 0.446 -1.376 1.00 0.00 C ATOM 1129 O SER A 73 12.886 1.594 -1.536 1.00 0.00 O ATOM 1130 CB SER A 73 13.895 -1.686 -1.339 1.00 0.00 C ATOM 1131 OG SER A 73 15.311 -1.698 -1.208 1.00 0.00 O ATOM 0 H SER A 73 12.116 -2.032 0.408 1.00 0.00 H new ATOM 0 HA SER A 73 14.163 0.003 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.478 -2.635 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.615 -1.568 -2.386 1.00 0.00 H new ATOM 0 HG SER A 73 15.682 -2.434 -1.737 1.00 0.00 H new ATOM 1137 N MET A 74 11.416 0.004 -1.927 1.00 0.00 N ATOM 1138 CA MET A 74 10.589 0.922 -2.766 1.00 0.00 C ATOM 1139 C MET A 74 10.353 2.215 -1.988 1.00 0.00 C ATOM 1140 O MET A 74 10.465 3.305 -2.513 1.00 0.00 O ATOM 1141 CB MET A 74 9.231 0.276 -3.069 1.00 0.00 C ATOM 1142 CG MET A 74 9.399 -0.880 -4.058 1.00 0.00 C ATOM 1143 SD MET A 74 7.792 -1.279 -4.798 1.00 0.00 S ATOM 1144 CE MET A 74 7.049 -2.091 -3.358 1.00 0.00 C ATOM 0 H MET A 74 11.055 -0.945 -1.833 1.00 0.00 H new ATOM 0 HA MET A 74 11.110 1.125 -3.702 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.781 -0.089 -2.146 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.551 1.021 -3.482 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.112 -0.607 -4.836 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.804 -1.754 -3.547 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.108 -2.558 -3.649 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.730 -2.853 -2.978 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.862 -1.351 -2.580 1.00 0.00 H new ATOM 1154 N LEU A 75 10.022 2.093 -0.732 1.00 0.00 N ATOM 1155 CA LEU A 75 9.770 3.302 0.100 1.00 0.00 C ATOM 1156 C LEU A 75 11.055 4.122 0.218 1.00 0.00 C ATOM 1157 O LEU A 75 11.019 5.321 0.413 1.00 0.00 O ATOM 1158 CB LEU A 75 9.304 2.869 1.496 1.00 0.00 C ATOM 1159 CG LEU A 75 8.018 2.020 1.387 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.877 1.109 2.624 1.00 0.00 C ATOM 1161 CD2 LEU A 75 6.792 2.941 1.280 1.00 0.00 C ATOM 0 H LEU A 75 9.915 1.203 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 75 8.998 3.912 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.088 2.293 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.118 3.747 2.114 1.00 0.00 H new ATOM 0 HG LEU A 75 8.081 1.399 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.967 0.515 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.739 0.445 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.825 1.722 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.888 2.336 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.732 3.572 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.885 3.569 0.394 1.00 0.00 H new ATOM 1173 N HIS A 76 12.191 3.493 0.093 1.00 0.00 N ATOM 1174 CA HIS A 76 13.470 4.248 0.190 1.00 0.00 C ATOM 1175 C HIS A 76 13.624 4.792 1.618 1.00 0.00 C ATOM 1176 O HIS A 76 14.010 5.925 1.827 1.00 0.00 O ATOM 1177 CB HIS A 76 13.443 5.400 -0.847 1.00 0.00 C ATOM 1178 CG HIS A 76 14.730 5.442 -1.630 1.00 0.00 C ATOM 1179 ND1 HIS A 76 15.806 6.231 -1.253 1.00 0.00 N ATOM 1180 CD2 HIS A 76 15.120 4.795 -2.773 1.00 0.00 C ATOM 1181 CE1 HIS A 76 16.784 6.039 -2.157 1.00 0.00 C ATOM 1182 NE2 HIS A 76 16.418 5.173 -3.106 1.00 0.00 N ATOM 0 H HIS A 76 12.288 2.491 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 76 14.321 3.601 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.602 5.264 -1.527 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.290 6.351 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.513 4.098 -3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.747 6.526 -2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.970 4.857 -3.903 1.00 0.00 H new ATOM 1190 N LEU A 77 13.325 3.987 2.602 1.00 0.00 N ATOM 1191 CA LEU A 77 13.449 4.447 4.010 1.00 0.00 C ATOM 1192 C LEU A 77 14.918 4.348 4.444 1.00 0.00 C ATOM 1193 O LEU A 77 15.371 5.078 5.303 1.00 0.00 O ATOM 1194 CB LEU A 77 12.550 3.566 4.923 1.00 0.00 C ATOM 1195 CG LEU A 77 11.860 4.439 5.983 1.00 0.00 C ATOM 1196 CD1 LEU A 77 10.611 5.100 5.383 1.00 0.00 C ATOM 1197 CD2 LEU A 77 11.452 3.580 7.186 1.00 0.00 C ATOM 0 H LEU A 77 12.999 3.027 2.488 1.00 0.00 H new ATOM 0 HA LEU A 77 13.123 5.484 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.801 3.051 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.153 2.798 5.409 1.00 0.00 H new ATOM 0 HG LEU A 77 12.557 5.210 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.127 5.717 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.900 5.723 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.918 4.329 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.964 4.207 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.763 2.801 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.339 3.121 7.622 1.00 0.00 H new ATOM 1209 N CYS A 78 15.664 3.454 3.854 1.00 0.00 N ATOM 1210 CA CYS A 78 17.103 3.317 4.233 1.00 0.00 C ATOM 1211 C CYS A 78 17.915 4.399 3.523 1.00 0.00 C ATOM 1212 O CYS A 78 19.046 4.186 3.133 1.00 0.00 O ATOM 1213 CB CYS A 78 17.626 1.939 3.819 1.00 0.00 C ATOM 1214 SG CYS A 78 16.736 0.655 4.732 1.00 0.00 S ATOM 0 H CYS A 78 15.342 2.814 3.128 1.00 0.00 H new ATOM 0 HA CYS A 78 17.201 3.426 5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 78 17.494 1.795 2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 78 18.695 1.869 4.021 1.00 0.00 H new ATOM 1219 N SER A 79 17.347 5.560 3.348 1.00 0.00 N ATOM 1220 CA SER A 79 18.085 6.654 2.660 1.00 0.00 C ATOM 1221 C SER A 79 19.343 7.005 3.457 1.00 0.00 C ATOM 1222 O SER A 79 19.276 7.615 4.506 1.00 0.00 O ATOM 1223 CB SER A 79 17.187 7.887 2.557 1.00 0.00 C ATOM 1224 OG SER A 79 16.788 8.288 3.861 1.00 0.00 O ATOM 0 H SER A 79 16.403 5.798 3.652 1.00 0.00 H new ATOM 0 HA SER A 79 18.370 6.326 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.720 8.699 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.311 7.663 1.949 1.00 0.00 H new ATOM 0 HG SER A 79 17.532 8.157 4.485 1.00 0.00 H new ATOM 1230 N GLY A 80 20.491 6.629 2.963 1.00 0.00 N ATOM 1231 CA GLY A 80 21.758 6.947 3.684 1.00 0.00 C ATOM 1232 C GLY A 80 22.179 8.369 3.331 1.00 0.00 C ATOM 1233 O GLY A 80 22.831 9.052 4.097 1.00 0.00 O ATOM 0 H GLY A 80 20.607 6.115 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.614 6.852 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.540 6.241 3.403 1.00 0.00 H new ATOM 1237 N LEU A 81 21.789 8.816 2.170 1.00 0.00 N ATOM 1238 CA LEU A 81 22.119 10.189 1.710 1.00 0.00 C ATOM 1239 C LEU A 81 20.823 10.871 1.325 1.00 0.00 C ATOM 1240 O LEU A 81 19.752 10.319 1.487 1.00 0.00 O ATOM 1241 CB LEU A 81 23.053 10.130 0.484 1.00 0.00 C ATOM 1242 CG LEU A 81 22.669 8.974 -0.473 1.00 0.00 C ATOM 1243 CD1 LEU A 81 22.997 7.595 0.152 1.00 0.00 C ATOM 1244 CD2 LEU A 81 21.172 9.050 -0.840 1.00 0.00 C ATOM 0 H LEU A 81 21.241 8.270 1.505 1.00 0.00 H new ATOM 0 HA LEU A 81 22.626 10.739 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 81 23.009 11.077 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 81 24.083 10.000 0.817 1.00 0.00 H new ATOM 0 HG LEU A 81 23.261 9.084 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.716 6.804 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 24.066 7.534 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 81 22.440 7.475 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.920 8.230 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.571 8.973 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.966 10.000 -1.333 1.00 0.00 H new ATOM 1256 N VAL A 82 20.894 12.043 0.777 1.00 0.00 N ATOM 1257 CA VAL A 82 19.636 12.701 0.347 1.00 0.00 C ATOM 1258 C VAL A 82 19.259 12.127 -1.035 1.00 0.00 C ATOM 1259 O VAL A 82 20.101 12.086 -1.910 1.00 0.00 O ATOM 1260 CB VAL A 82 19.822 14.218 0.240 1.00 0.00 C ATOM 1261 CG1 VAL A 82 19.693 14.851 1.627 1.00 0.00 C ATOM 1262 CG2 VAL A 82 21.205 14.528 -0.340 1.00 0.00 C ATOM 0 H VAL A 82 21.752 12.569 0.609 1.00 0.00 H new ATOM 0 HA VAL A 82 18.851 12.512 1.079 1.00 0.00 H new ATOM 0 HB VAL A 82 19.055 14.629 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 82 19.826 15.930 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 82 18.705 14.636 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 82 20.456 14.439 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 82 21.334 15.608 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 82 21.974 14.115 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 82 21.292 14.082 -1.331 1.00 0.00 H new ATOM 1272 N PRO A 83 18.029 11.684 -1.216 1.00 0.00 N ATOM 1273 CA PRO A 83 17.619 11.105 -2.501 1.00 0.00 C ATOM 1274 C PRO A 83 18.065 12.005 -3.664 1.00 0.00 C ATOM 1275 O PRO A 83 18.020 13.215 -3.573 1.00 0.00 O ATOM 1276 CB PRO A 83 16.087 11.005 -2.419 1.00 0.00 C ATOM 1277 CG PRO A 83 15.713 11.181 -0.928 1.00 0.00 C ATOM 1278 CD PRO A 83 16.959 11.727 -0.202 1.00 0.00 C ATOM 0 HA PRO A 83 18.073 10.131 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.615 11.774 -3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.741 10.042 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.874 11.869 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.402 10.230 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.795 12.743 0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.211 11.118 0.666 1.00 0.00 H new ATOM 1286 N ARG A 84 18.485 11.426 -4.758 1.00 0.00 N ATOM 1287 CA ARG A 84 18.918 12.259 -5.919 1.00 0.00 C ATOM 1288 C ARG A 84 17.683 12.673 -6.723 1.00 0.00 C ATOM 1289 O ARG A 84 17.310 13.832 -6.643 1.00 0.00 O ATOM 1290 CB ARG A 84 19.863 11.448 -6.822 1.00 0.00 C ATOM 1291 CG ARG A 84 21.267 11.344 -6.194 1.00 0.00 C ATOM 1292 CD ARG A 84 21.314 10.186 -5.193 1.00 0.00 C ATOM 1293 NE ARG A 84 20.980 8.912 -5.889 1.00 0.00 N ATOM 1294 CZ ARG A 84 21.256 7.769 -5.323 1.00 0.00 C ATOM 1295 NH1 ARG A 84 21.825 7.743 -4.149 1.00 0.00 N ATOM 1296 NH2 ARG A 84 20.965 6.652 -5.931 1.00 0.00 N ATOM 1297 OXT ARG A 84 17.131 11.824 -7.403 1.00 0.00 O ATOM 0 H ARG A 84 18.547 10.418 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 84 19.442 13.143 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 84 19.455 10.449 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 84 19.932 11.921 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 84 22.012 11.190 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 84 21.519 12.278 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 84 22.305 10.119 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.609 10.365 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 84 20.536 8.933 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 84 22.054 8.616 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 84 22.041 6.850 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.522 6.672 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.181 5.759 -5.488 1.00 0.00 H new TER 1311 ARG A 84