USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 11 THR OG1 : rot 180:sc= -0.189 USER MOD Set 1.2: A 28 GLN : amide:sc= 0 X(o=-0.19,f=-0.19) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 167:sc= -1.85 (180deg=-2.31!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.243 (180deg=-0.929) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 0.71 (180deg=0.338) USER MOD Single : A 43 SER OG : rot 59:sc= 1.17 USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.569) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -1.02 USER MOD Single : A 57 TYR OH : rot -38:sc= 1.16 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.53 F(o=-5.5!,f=-2.5) USER MOD Single : A 74 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.2!) USER MOD Single : A 77 GLN :FLIP amide:sc= -5.13! C(o=-6.3!,f=-5.1!) USER MOD Single : A 79 TYR OH : rot 80:sc= 0.224 USER MOD Single : A 80 SER OG : rot -50:sc= 0.808 USER MOD Single : A 83 ASN : amide:sc= 0.00805! C(o=0.0081!,f=-7.6!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.424 5.241 -13.231 1.00 0.00 N ATOM 67 CA GLN A 8 0.954 3.919 -13.546 1.00 0.00 C ATOM 68 C GLN A 8 0.869 2.996 -12.335 1.00 0.00 C ATOM 69 O GLN A 8 0.802 3.456 -11.194 1.00 0.00 O ATOM 70 CB GLN A 8 2.405 4.028 -14.019 1.00 0.00 C ATOM 71 CG GLN A 8 3.358 4.531 -12.947 1.00 0.00 C ATOM 72 CD GLN A 8 4.809 4.237 -13.271 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.345 4.722 -14.268 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.455 3.439 -12.429 1.00 0.00 N ATOM 0 HA GLN A 8 0.349 3.494 -14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.741 3.049 -14.362 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.449 4.699 -14.877 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.228 5.606 -12.826 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.102 4.070 -11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.972 3.059 -11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.434 3.206 -12.596 1.00 0.00 H new ATOM 83 N LEU A 9 0.872 1.693 -12.590 1.00 0.00 N ATOM 84 CA LEU A 9 0.795 0.704 -11.520 1.00 0.00 C ATOM 85 C LEU A 9 2.168 0.462 -10.902 1.00 0.00 C ATOM 86 O LEU A 9 3.154 0.260 -11.612 1.00 0.00 O ATOM 87 CB LEU A 9 0.225 -0.611 -12.055 1.00 0.00 C ATOM 88 CG LEU A 9 -1.296 -0.757 -11.997 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.927 -0.289 -13.300 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.683 -2.199 -11.703 1.00 0.00 C ATOM 0 H LEU A 9 0.927 1.296 -13.528 1.00 0.00 H new ATOM 0 HA LEU A 9 0.133 1.093 -10.747 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.542 -0.726 -13.092 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.670 -1.432 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.671 -0.129 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.010 -0.400 -13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.679 0.759 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.545 -0.890 -14.125 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.769 -2.284 -11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.295 -2.847 -12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.262 -2.500 -10.744 1.00 0.00 H new ATOM 102 N LEU A 10 2.225 0.482 -9.575 1.00 0.00 N ATOM 103 CA LEU A 10 3.477 0.263 -8.860 1.00 0.00 C ATOM 104 C LEU A 10 3.517 -1.133 -8.247 1.00 0.00 C ATOM 105 O LEU A 10 2.517 -1.621 -7.718 1.00 0.00 O ATOM 106 CB LEU A 10 3.654 1.318 -7.766 1.00 0.00 C ATOM 107 CG LEU A 10 3.019 2.682 -8.039 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.336 3.654 -6.914 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.496 3.234 -9.374 1.00 0.00 C ATOM 0 H LEU A 10 1.419 0.648 -8.973 1.00 0.00 H new ATOM 0 HA LEU A 10 4.295 0.349 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.237 0.925 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.721 1.463 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 10 1.937 2.555 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.876 4.619 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.944 3.264 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.416 3.777 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.034 4.205 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.580 3.346 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.216 2.547 -10.173 1.00 0.00 H new ATOM 121 N THR A 11 4.681 -1.772 -8.319 1.00 0.00 N ATOM 122 CA THR A 11 4.852 -3.112 -7.771 1.00 0.00 C ATOM 123 C THR A 11 5.473 -3.061 -6.379 1.00 0.00 C ATOM 124 O THR A 11 6.695 -3.019 -6.235 1.00 0.00 O ATOM 125 CB THR A 11 5.736 -3.983 -8.683 1.00 0.00 C ATOM 126 OG1 THR A 11 5.072 -4.216 -9.931 1.00 0.00 O ATOM 127 CG2 THR A 11 6.055 -5.313 -8.017 1.00 0.00 C ATOM 0 H THR A 11 5.519 -1.383 -8.751 1.00 0.00 H new ATOM 0 HA THR A 11 3.859 -3.557 -7.707 1.00 0.00 H new ATOM 0 HB THR A 11 6.670 -3.451 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.641 -4.769 -10.506 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.680 -5.911 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.585 -5.134 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.128 -5.849 -7.812 1.00 0.00 H new ATOM 135 N LEU A 12 4.623 -3.066 -5.358 1.00 0.00 N ATOM 136 CA LEU A 12 5.089 -3.022 -3.976 1.00 0.00 C ATOM 137 C LEU A 12 4.780 -4.330 -3.255 1.00 0.00 C ATOM 138 O LEU A 12 3.925 -5.103 -3.688 1.00 0.00 O ATOM 139 CB LEU A 12 4.439 -1.852 -3.235 1.00 0.00 C ATOM 140 CG LEU A 12 4.409 -0.518 -3.982 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.323 0.386 -3.419 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.767 0.166 -3.906 1.00 0.00 C ATOM 0 H LEU A 12 3.609 -3.100 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 12 6.170 -2.882 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.415 -2.129 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.967 -1.706 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 12 4.181 -0.715 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.317 1.330 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.353 -0.100 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.519 0.577 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.728 1.114 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.024 0.350 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.523 -0.476 -4.358 1.00 0.00 H new ATOM 154 N LYS A 13 5.479 -4.570 -2.151 1.00 0.00 N ATOM 155 CA LYS A 13 5.277 -5.783 -1.366 1.00 0.00 C ATOM 156 C LYS A 13 4.514 -5.479 -0.081 1.00 0.00 C ATOM 157 O LYS A 13 4.906 -4.604 0.692 1.00 0.00 O ATOM 158 CB LYS A 13 6.624 -6.428 -1.032 1.00 0.00 C ATOM 159 CG LYS A 13 7.172 -7.305 -2.144 1.00 0.00 C ATOM 160 CD LYS A 13 8.449 -8.010 -1.721 1.00 0.00 C ATOM 161 CE LYS A 13 8.763 -9.189 -2.630 1.00 0.00 C ATOM 162 NZ LYS A 13 10.064 -9.826 -2.283 1.00 0.00 N ATOM 0 H LYS A 13 6.191 -3.941 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 13 4.686 -6.478 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.347 -5.644 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.516 -7.027 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.424 -8.045 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.367 -6.696 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.279 -7.304 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.350 -8.358 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.965 -9.928 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.789 -8.852 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.242 -10.625 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.829 -9.128 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.031 -10.171 -1.302 1.00 0.00 H new ATOM 176 N ILE A 14 3.425 -6.206 0.141 1.00 0.00 N ATOM 177 CA ILE A 14 2.609 -6.015 1.334 1.00 0.00 C ATOM 178 C ILE A 14 3.080 -6.915 2.472 1.00 0.00 C ATOM 179 O ILE A 14 3.046 -8.141 2.363 1.00 0.00 O ATOM 180 CB ILE A 14 1.123 -6.300 1.051 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.555 -5.254 0.089 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.330 -6.319 2.349 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.705 -5.629 -1.369 1.00 0.00 C ATOM 0 H ILE A 14 3.087 -6.933 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 14 2.721 -4.972 1.629 1.00 0.00 H new ATOM 0 HB ILE A 14 1.039 -7.281 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.502 -5.104 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.055 -4.302 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.719 -6.522 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.722 -7.097 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.418 -5.351 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.281 -4.842 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.762 -5.750 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.181 -6.565 -1.560 1.00 0.00 H new ATOM 195 N LYS A 15 3.518 -6.298 3.564 1.00 0.00 N ATOM 196 CA LYS A 15 3.993 -7.042 4.724 1.00 0.00 C ATOM 197 C LYS A 15 3.384 -6.492 6.010 1.00 0.00 C ATOM 198 O LYS A 15 3.800 -5.444 6.507 1.00 0.00 O ATOM 199 CB LYS A 15 5.520 -6.981 4.805 1.00 0.00 C ATOM 200 CG LYS A 15 6.083 -7.521 6.108 1.00 0.00 C ATOM 201 CD LYS A 15 7.495 -7.019 6.356 1.00 0.00 C ATOM 202 CE LYS A 15 7.932 -7.271 7.791 1.00 0.00 C ATOM 203 NZ LYS A 15 9.114 -6.446 8.164 1.00 0.00 N ATOM 0 H LYS A 15 3.554 -5.284 3.670 1.00 0.00 H new ATOM 0 HA LYS A 15 3.682 -8.080 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.942 -7.547 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.841 -5.947 4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.439 -7.222 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.083 -8.611 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.184 -7.515 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.546 -5.952 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.106 -7.048 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.172 -8.327 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.381 -6.647 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.910 -6.676 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.878 -5.438 8.068 1.00 0.00 H new ATOM 217 N CYS A 16 2.398 -7.204 6.544 1.00 0.00 N ATOM 218 CA CYS A 16 1.732 -6.787 7.773 1.00 0.00 C ATOM 219 C CYS A 16 2.723 -6.709 8.929 1.00 0.00 C ATOM 220 O CYS A 16 3.462 -7.658 9.192 1.00 0.00 O ATOM 221 CB CYS A 16 0.601 -7.757 8.119 1.00 0.00 C ATOM 222 SG CYS A 16 -0.859 -7.594 7.066 1.00 0.00 S ATOM 0 H CYS A 16 2.042 -8.073 6.145 1.00 0.00 H new ATOM 0 HA CYS A 16 1.312 -5.794 7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.977 -8.778 8.045 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.307 -7.600 9.157 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.758 -8.457 7.435 1.00 0.00 H new ATOM 340 N ILE A 24 4.182 -12.603 3.226 1.00 0.00 N ATOM 341 CA ILE A 24 4.302 -11.414 2.391 1.00 0.00 C ATOM 342 C ILE A 24 3.789 -11.679 0.980 1.00 0.00 C ATOM 343 O ILE A 24 3.990 -12.761 0.427 1.00 0.00 O ATOM 344 CB ILE A 24 5.761 -10.928 2.311 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.334 -10.731 3.717 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.846 -9.635 1.514 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.842 -10.621 3.744 1.00 0.00 C ATOM 0 HA ILE A 24 3.694 -10.639 2.857 1.00 0.00 H new ATOM 0 HB ILE A 24 6.353 -11.687 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.904 -9.829 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.027 -11.567 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.884 -9.304 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.473 -9.805 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.243 -8.868 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.178 -10.483 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.281 -11.533 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.155 -9.768 3.142 1.00 0.00 H new ATOM 359 N LEU A 25 3.126 -10.684 0.401 1.00 0.00 N ATOM 360 CA LEU A 25 2.584 -10.808 -0.948 1.00 0.00 C ATOM 361 C LEU A 25 2.975 -9.608 -1.804 1.00 0.00 C ATOM 362 O LEU A 25 3.654 -8.695 -1.336 1.00 0.00 O ATOM 363 CB LEU A 25 1.061 -10.939 -0.897 1.00 0.00 C ATOM 364 CG LEU A 25 0.485 -11.594 0.358 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.977 -11.217 0.535 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.643 -13.106 0.291 1.00 0.00 C ATOM 0 H LEU A 25 2.951 -9.782 0.844 1.00 0.00 H new ATOM 0 HA LEU A 25 3.004 -11.706 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.627 -9.944 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.737 -11.514 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 25 1.040 -11.228 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.369 -11.693 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.065 -10.135 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.547 -11.553 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.227 -13.556 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.114 -13.489 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.701 -13.358 0.214 1.00 0.00 H new ATOM 378 N GLU A 26 2.539 -9.616 -3.060 1.00 0.00 N ATOM 379 CA GLU A 26 2.843 -8.527 -3.980 1.00 0.00 C ATOM 380 C GLU A 26 1.619 -8.165 -4.818 1.00 0.00 C ATOM 381 O GLU A 26 1.059 -9.011 -5.516 1.00 0.00 O ATOM 382 CB GLU A 26 4.006 -8.912 -4.896 1.00 0.00 C ATOM 383 CG GLU A 26 4.348 -7.849 -5.926 1.00 0.00 C ATOM 384 CD GLU A 26 3.333 -7.777 -7.050 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.231 -8.755 -7.820 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.642 -6.743 -7.161 1.00 0.00 O ATOM 0 H GLU A 26 1.975 -10.364 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 26 3.129 -7.656 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.887 -9.111 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.759 -9.840 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.409 -6.878 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.333 -8.057 -6.344 1.00 0.00 H new ATOM 393 N LYS A 27 1.210 -6.904 -4.743 1.00 0.00 N ATOM 394 CA LYS A 27 0.054 -6.428 -5.494 1.00 0.00 C ATOM 395 C LYS A 27 0.403 -5.179 -6.296 1.00 0.00 C ATOM 396 O LYS A 27 1.089 -4.285 -5.802 1.00 0.00 O ATOM 397 CB LYS A 27 -1.109 -6.129 -4.545 1.00 0.00 C ATOM 398 CG LYS A 27 -2.380 -5.700 -5.256 1.00 0.00 C ATOM 399 CD LYS A 27 -3.192 -6.897 -5.720 1.00 0.00 C ATOM 400 CE LYS A 27 -4.180 -7.347 -4.655 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.452 -8.809 -4.732 1.00 0.00 N ATOM 0 H LYS A 27 1.662 -6.192 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.245 -7.213 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.318 -7.018 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.808 -5.344 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.984 -5.088 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.125 -5.078 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.731 -6.641 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.521 -7.720 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.787 -7.102 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.114 -6.797 -4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.130 -9.076 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.851 -9.039 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.565 -9.335 -4.596 1.00 0.00 H new ATOM 415 N GLN A 28 -0.075 -5.124 -7.535 1.00 0.00 N ATOM 416 CA GLN A 28 0.186 -3.983 -8.405 1.00 0.00 C ATOM 417 C GLN A 28 -1.031 -3.067 -8.482 1.00 0.00 C ATOM 418 O GLN A 28 -2.080 -3.454 -8.997 1.00 0.00 O ATOM 419 CB GLN A 28 0.570 -4.460 -9.806 1.00 0.00 C ATOM 420 CG GLN A 28 1.993 -4.988 -9.901 1.00 0.00 C ATOM 421 CD GLN A 28 2.380 -5.372 -11.316 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.118 -6.490 -11.761 1.00 0.00 O ATOM 423 NE2 GLN A 28 3.006 -4.445 -12.031 1.00 0.00 N ATOM 0 H GLN A 28 -0.645 -5.856 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 28 1.016 -3.418 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.121 -5.244 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.450 -3.634 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.683 -4.229 -9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.098 -5.857 -9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.203 -3.532 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.290 -4.646 -12.990 1.00 0.00 H new ATOM 432 N LEU A 29 -0.883 -1.851 -7.967 1.00 0.00 N ATOM 433 CA LEU A 29 -1.971 -0.879 -7.978 1.00 0.00 C ATOM 434 C LEU A 29 -1.516 0.440 -8.593 1.00 0.00 C ATOM 435 O LEU A 29 -0.344 0.811 -8.530 1.00 0.00 O ATOM 436 CB LEU A 29 -2.484 -0.643 -6.556 1.00 0.00 C ATOM 437 CG LEU A 29 -2.665 -1.891 -5.691 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.622 -2.867 -6.358 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.322 -2.555 -5.425 1.00 0.00 C ATOM 0 H LEU A 29 -0.021 -1.515 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.780 -1.282 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.792 0.029 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.442 -0.126 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.093 -1.589 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.739 -3.749 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.592 -2.389 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.222 -3.164 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.470 -3.441 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.865 -2.844 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.667 -1.856 -4.905 1.00 0.00 H new ATOM 451 N PRO A 30 -2.465 1.168 -9.200 1.00 0.00 N ATOM 452 CA PRO A 30 -2.186 2.459 -9.836 1.00 0.00 C ATOM 453 C PRO A 30 -1.864 3.549 -8.819 1.00 0.00 C ATOM 454 O PRO A 30 -2.658 3.826 -7.920 1.00 0.00 O ATOM 455 CB PRO A 30 -3.490 2.782 -10.570 1.00 0.00 C ATOM 456 CG PRO A 30 -4.541 2.041 -9.819 1.00 0.00 C ATOM 457 CD PRO A 30 -3.883 0.787 -9.313 1.00 0.00 C ATOM 0 HA PRO A 30 -1.314 2.412 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.687 3.854 -10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.448 2.462 -11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.926 2.640 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.388 1.805 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.294 0.477 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.022 -0.046 -10.002 1.00 0.00 H new ATOM 465 N ASP A 31 -0.696 4.163 -8.968 1.00 0.00 N ATOM 466 CA ASP A 31 -0.269 5.224 -8.063 1.00 0.00 C ATOM 467 C ASP A 31 -1.410 6.202 -7.795 1.00 0.00 C ATOM 468 O ASP A 31 -1.430 6.881 -6.769 1.00 0.00 O ATOM 469 CB ASP A 31 0.932 5.970 -8.647 1.00 0.00 C ATOM 470 CG ASP A 31 0.561 6.809 -9.854 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.412 7.586 -9.760 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.244 6.688 -10.893 1.00 0.00 O ATOM 0 H ASP A 31 -0.028 3.945 -9.707 1.00 0.00 H new ATOM 0 HA ASP A 31 0.023 4.766 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.365 6.613 -7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.700 5.251 -8.930 1.00 0.00 H new ATOM 477 N SER A 32 -2.356 6.268 -8.726 1.00 0.00 N ATOM 478 CA SER A 32 -3.498 7.166 -8.594 1.00 0.00 C ATOM 479 C SER A 32 -4.384 6.748 -7.424 1.00 0.00 C ATOM 480 O SER A 32 -4.873 7.589 -6.671 1.00 0.00 O ATOM 481 CB SER A 32 -4.314 7.181 -9.887 1.00 0.00 C ATOM 482 OG SER A 32 -5.080 8.369 -9.993 1.00 0.00 O ATOM 0 H SER A 32 -2.355 5.710 -9.580 1.00 0.00 H new ATOM 0 HA SER A 32 -3.120 8.170 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.645 7.098 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.975 6.315 -9.914 1.00 0.00 H new ATOM 0 HG SER A 32 -5.591 8.355 -10.829 1.00 0.00 H new ATOM 488 N MET A 33 -4.586 5.443 -7.280 1.00 0.00 N ATOM 489 CA MET A 33 -5.413 4.912 -6.202 1.00 0.00 C ATOM 490 C MET A 33 -5.098 5.609 -4.882 1.00 0.00 C ATOM 491 O MET A 33 -3.966 5.567 -4.400 1.00 0.00 O ATOM 492 CB MET A 33 -5.198 3.404 -6.060 1.00 0.00 C ATOM 493 CG MET A 33 -6.421 2.661 -5.548 1.00 0.00 C ATOM 494 SD MET A 33 -6.515 0.969 -6.164 1.00 0.00 S ATOM 495 CE MET A 33 -5.713 0.079 -4.833 1.00 0.00 C ATOM 0 H MET A 33 -4.189 4.733 -7.896 1.00 0.00 H new ATOM 0 HA MET A 33 -6.457 5.100 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.913 2.993 -7.028 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.364 3.227 -5.380 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.402 2.646 -4.458 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.320 3.202 -5.844 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.894 -0.990 -4.949 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.640 0.271 -4.861 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.116 0.413 -3.877 1.00 0.00 H new ATOM 505 N THR A 34 -6.107 6.251 -4.301 1.00 0.00 N ATOM 506 CA THR A 34 -5.937 6.958 -3.038 1.00 0.00 C ATOM 507 C THR A 34 -5.716 5.983 -1.888 1.00 0.00 C ATOM 508 O THR A 34 -6.331 4.918 -1.835 1.00 0.00 O ATOM 509 CB THR A 34 -7.159 7.841 -2.720 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.349 7.045 -2.713 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.297 8.961 -3.739 1.00 0.00 C ATOM 0 H THR A 34 -7.051 6.296 -4.685 1.00 0.00 H new ATOM 0 HA THR A 34 -5.058 7.593 -3.147 1.00 0.00 H new ATOM 0 HB THR A 34 -7.013 8.284 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.121 7.613 -2.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.166 9.571 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.401 9.582 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.422 8.534 -4.734 1.00 0.00 H new ATOM 519 N VAL A 35 -4.832 6.353 -0.966 1.00 0.00 N ATOM 520 CA VAL A 35 -4.531 5.512 0.186 1.00 0.00 C ATOM 521 C VAL A 35 -5.789 4.834 0.716 1.00 0.00 C ATOM 522 O VAL A 35 -5.775 3.648 1.046 1.00 0.00 O ATOM 523 CB VAL A 35 -3.882 6.325 1.321 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.647 5.447 2.541 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.581 6.955 0.849 1.00 0.00 C ATOM 0 H VAL A 35 -4.312 7.230 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.828 4.751 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.564 7.126 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.188 6.039 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.599 5.049 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.985 4.623 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.136 7.526 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.890 6.172 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.782 7.619 0.009 1.00 0.00 H new ATOM 535 N GLN A 36 -6.876 5.595 0.794 1.00 0.00 N ATOM 536 CA GLN A 36 -8.144 5.067 1.285 1.00 0.00 C ATOM 537 C GLN A 36 -8.564 3.835 0.491 1.00 0.00 C ATOM 538 O GLN A 36 -8.962 2.820 1.063 1.00 0.00 O ATOM 539 CB GLN A 36 -9.233 6.138 1.201 1.00 0.00 C ATOM 540 CG GLN A 36 -10.350 5.950 2.215 1.00 0.00 C ATOM 541 CD GLN A 36 -11.582 6.769 1.884 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.514 6.281 1.244 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.593 8.024 2.320 1.00 0.00 N ATOM 0 H GLN A 36 -6.904 6.578 0.524 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.009 4.777 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.780 7.118 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.659 6.133 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.621 4.895 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.988 6.229 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.799 8.388 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.395 8.624 2.128 1.00 0.00 H new ATOM 552 N LYS A 37 -8.475 3.930 -0.832 1.00 0.00 N ATOM 553 CA LYS A 37 -8.845 2.824 -1.706 1.00 0.00 C ATOM 554 C LYS A 37 -8.068 1.562 -1.345 1.00 0.00 C ATOM 555 O LYS A 37 -8.654 0.503 -1.119 1.00 0.00 O ATOM 556 CB LYS A 37 -8.586 3.194 -3.168 1.00 0.00 C ATOM 557 CG LYS A 37 -9.601 4.170 -3.737 1.00 0.00 C ATOM 558 CD LYS A 37 -10.918 3.483 -4.056 1.00 0.00 C ATOM 559 CE LYS A 37 -10.852 2.737 -5.379 1.00 0.00 C ATOM 560 NZ LYS A 37 -10.466 3.634 -6.503 1.00 0.00 N ATOM 0 H LYS A 37 -8.149 4.763 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.908 2.626 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.590 3.628 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.591 2.286 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.773 4.975 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.200 4.627 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.169 2.786 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.716 4.224 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.132 1.922 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.822 2.286 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.062 3.430 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.598 4.625 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.468 3.475 -6.747 1.00 0.00 H new ATOM 574 N VAL A 38 -6.745 1.682 -1.290 1.00 0.00 N ATOM 575 CA VAL A 38 -5.888 0.551 -0.953 1.00 0.00 C ATOM 576 C VAL A 38 -6.279 -0.053 0.391 1.00 0.00 C ATOM 577 O VAL A 38 -6.250 -1.271 0.569 1.00 0.00 O ATOM 578 CB VAL A 38 -4.405 0.965 -0.907 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.531 -0.221 -0.528 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.974 1.552 -2.242 1.00 0.00 C ATOM 0 H VAL A 38 -6.244 2.551 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.025 -0.195 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.283 1.733 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.487 0.091 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.825 -0.591 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.654 -1.014 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.924 1.839 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.109 0.808 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.580 2.430 -2.466 1.00 0.00 H new ATOM 590 N LYS A 39 -6.644 0.806 1.336 1.00 0.00 N ATOM 591 CA LYS A 39 -7.043 0.359 2.665 1.00 0.00 C ATOM 592 C LYS A 39 -8.383 -0.368 2.615 1.00 0.00 C ATOM 593 O LYS A 39 -8.573 -1.387 3.277 1.00 0.00 O ATOM 594 CB LYS A 39 -7.132 1.550 3.621 1.00 0.00 C ATOM 595 CG LYS A 39 -5.793 2.217 3.888 1.00 0.00 C ATOM 596 CD LYS A 39 -5.928 3.359 4.882 1.00 0.00 C ATOM 597 CE LYS A 39 -4.588 3.709 5.512 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.578 5.094 6.058 1.00 0.00 N ATOM 0 H LYS A 39 -6.672 1.817 1.206 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.286 -0.336 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.820 2.287 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.557 1.215 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.088 1.480 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.380 2.594 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.335 4.236 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.637 3.082 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.366 3.002 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.799 3.606 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.603 5.455 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.167 5.707 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.957 5.088 7.026 1.00 0.00 H new ATOM 612 N GLY A 40 -9.311 0.164 1.824 1.00 0.00 N ATOM 613 CA GLY A 40 -10.621 -0.448 1.702 1.00 0.00 C ATOM 614 C GLY A 40 -10.562 -1.820 1.059 1.00 0.00 C ATOM 615 O GLY A 40 -11.475 -2.631 1.225 1.00 0.00 O ATOM 0 H GLY A 40 -9.178 1.007 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.073 -0.532 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.268 0.200 1.110 1.00 0.00 H new ATOM 619 N LEU A 41 -9.488 -2.081 0.323 1.00 0.00 N ATOM 620 CA LEU A 41 -9.315 -3.365 -0.349 1.00 0.00 C ATOM 621 C LEU A 41 -8.955 -4.459 0.652 1.00 0.00 C ATOM 622 O LEU A 41 -9.515 -5.555 0.617 1.00 0.00 O ATOM 623 CB LEU A 41 -8.227 -3.259 -1.419 1.00 0.00 C ATOM 624 CG LEU A 41 -7.685 -4.584 -1.958 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.496 -5.043 -3.159 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.214 -4.448 -2.326 1.00 0.00 C ATOM 0 H LEU A 41 -8.724 -1.422 0.176 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.260 -3.630 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.623 -2.684 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.394 -2.689 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.775 -5.337 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.096 -5.987 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.536 -5.180 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.438 -4.291 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.845 -5.400 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.100 -3.681 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.642 -4.165 -1.442 1.00 0.00 H new ATOM 638 N LEU A 42 -8.020 -4.153 1.544 1.00 0.00 N ATOM 639 CA LEU A 42 -7.587 -5.110 2.556 1.00 0.00 C ATOM 640 C LEU A 42 -8.545 -5.117 3.743 1.00 0.00 C ATOM 641 O LEU A 42 -8.556 -6.056 4.539 1.00 0.00 O ATOM 642 CB LEU A 42 -6.172 -4.774 3.031 1.00 0.00 C ATOM 643 CG LEU A 42 -5.062 -4.917 1.988 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.794 -4.224 2.460 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.792 -6.386 1.695 1.00 0.00 C ATOM 0 H LEU A 42 -7.547 -3.250 1.587 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.587 -6.103 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.168 -3.748 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.932 -5.417 3.878 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.392 -4.438 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.016 -4.336 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.996 -3.165 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.460 -4.674 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.000 -6.469 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.483 -6.889 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.699 -6.853 1.312 1.00 0.00 H new ATOM 657 N SER A 43 -9.349 -4.064 3.855 1.00 0.00 N ATOM 658 CA SER A 43 -10.310 -3.949 4.945 1.00 0.00 C ATOM 659 C SER A 43 -11.339 -5.074 4.884 1.00 0.00 C ATOM 660 O SER A 43 -11.773 -5.589 5.915 1.00 0.00 O ATOM 661 CB SER A 43 -11.017 -2.593 4.889 1.00 0.00 C ATOM 662 OG SER A 43 -12.222 -2.615 5.633 1.00 0.00 O ATOM 0 H SER A 43 -9.354 -3.279 3.204 1.00 0.00 H new ATOM 0 HA SER A 43 -9.765 -4.029 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.358 -1.819 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.231 -2.333 3.852 1.00 0.00 H new ATOM 0 HG SER A 43 -12.027 -2.850 6.564 1.00 0.00 H new ATOM 668 N ARG A 44 -11.724 -5.450 3.669 1.00 0.00 N ATOM 669 CA ARG A 44 -12.702 -6.513 3.473 1.00 0.00 C ATOM 670 C ARG A 44 -12.084 -7.879 3.754 1.00 0.00 C ATOM 671 O ARG A 44 -12.793 -8.847 4.035 1.00 0.00 O ATOM 672 CB ARG A 44 -13.249 -6.474 2.045 1.00 0.00 C ATOM 673 CG ARG A 44 -14.159 -5.287 1.774 1.00 0.00 C ATOM 674 CD ARG A 44 -15.224 -5.625 0.743 1.00 0.00 C ATOM 675 NE ARG A 44 -15.613 -4.459 -0.046 1.00 0.00 N ATOM 676 CZ ARG A 44 -16.601 -4.468 -0.934 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.296 -5.577 -1.145 1.00 0.00 N ATOM 678 NH2 ARG A 44 -16.894 -3.367 -1.613 1.00 0.00 N ATOM 0 H ARG A 44 -11.374 -5.034 2.806 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.521 -6.353 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.414 -6.448 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.799 -7.395 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.636 -4.974 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.564 -4.444 1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.851 -6.404 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.101 -6.030 1.248 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.098 -3.590 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.073 -6.426 -0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.054 -5.582 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.361 -2.512 -1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.653 -3.375 -2.295 1.00 0.00 H new ATOM 692 N LEU A 45 -10.760 -7.951 3.677 1.00 0.00 N ATOM 693 CA LEU A 45 -10.046 -9.199 3.924 1.00 0.00 C ATOM 694 C LEU A 45 -9.676 -9.333 5.397 1.00 0.00 C ATOM 695 O LEU A 45 -10.122 -10.257 6.079 1.00 0.00 O ATOM 696 CB LEU A 45 -8.784 -9.267 3.061 1.00 0.00 C ATOM 697 CG LEU A 45 -7.786 -10.369 3.417 1.00 0.00 C ATOM 698 CD1 LEU A 45 -8.504 -11.693 3.625 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.726 -10.499 2.333 1.00 0.00 C ATOM 0 H LEU A 45 -10.159 -7.160 3.446 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.706 -10.025 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.085 -9.399 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.272 -8.307 3.125 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.292 -10.097 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.777 -12.465 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.224 -11.593 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.026 -11.972 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.024 -11.288 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.203 -10.747 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.190 -9.555 2.233 1.00 0.00 H new ATOM 711 N LEU A 46 -8.860 -8.405 5.884 1.00 0.00 N ATOM 712 CA LEU A 46 -8.431 -8.417 7.278 1.00 0.00 C ATOM 713 C LEU A 46 -9.587 -8.058 8.206 1.00 0.00 C ATOM 714 O LEU A 46 -9.433 -8.035 9.428 1.00 0.00 O ATOM 715 CB LEU A 46 -7.273 -7.440 7.485 1.00 0.00 C ATOM 716 CG LEU A 46 -5.983 -7.758 6.728 1.00 0.00 C ATOM 717 CD1 LEU A 46 -5.103 -6.521 6.631 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.233 -8.895 7.406 1.00 0.00 C ATOM 0 H LEU A 46 -8.482 -7.634 5.334 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.094 -9.425 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.607 -6.445 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.045 -7.399 8.550 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.245 -8.073 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.189 -6.766 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.639 -5.734 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.849 -6.176 7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.318 -9.108 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.982 -8.608 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.861 -9.786 7.424 1.00 0.00 H new ATOM 730 N LYS A 47 -10.746 -7.780 7.619 1.00 0.00 N ATOM 731 CA LYS A 47 -11.930 -7.425 8.392 1.00 0.00 C ATOM 732 C LYS A 47 -11.648 -6.236 9.305 1.00 0.00 C ATOM 733 O LYS A 47 -12.164 -6.160 10.420 1.00 0.00 O ATOM 734 CB LYS A 47 -12.398 -8.621 9.225 1.00 0.00 C ATOM 735 CG LYS A 47 -12.199 -9.959 8.534 1.00 0.00 C ATOM 736 CD LYS A 47 -12.887 -9.994 7.179 1.00 0.00 C ATOM 737 CE LYS A 47 -14.331 -10.457 7.299 1.00 0.00 C ATOM 738 NZ LYS A 47 -15.261 -9.319 7.536 1.00 0.00 N ATOM 0 H LYS A 47 -10.891 -7.794 6.609 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.719 -7.145 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.858 -8.627 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.455 -8.497 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.133 -10.149 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.592 -10.757 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.858 -9.001 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.344 -10.662 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.622 -10.980 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.416 -11.172 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.842 -9.514 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.713 -8.449 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.879 -9.198 6.709 1.00 0.00 H new ATOM 752 N VAL A 48 -10.827 -5.308 8.823 1.00 0.00 N ATOM 753 CA VAL A 48 -10.479 -4.121 9.595 1.00 0.00 C ATOM 754 C VAL A 48 -10.940 -2.851 8.888 1.00 0.00 C ATOM 755 O VAL A 48 -10.824 -2.712 7.670 1.00 0.00 O ATOM 756 CB VAL A 48 -8.960 -4.036 9.840 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.608 -2.751 10.574 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.478 -5.252 10.616 1.00 0.00 C ATOM 0 H VAL A 48 -10.391 -5.355 7.902 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.990 -4.206 10.554 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.454 -4.025 8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.531 -2.709 10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.918 -1.894 9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.122 -2.728 11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.403 -5.176 10.780 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.990 -5.297 11.577 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.695 -6.156 10.047 1.00 0.00 H new ATOM 768 N PRO A 49 -11.475 -1.901 9.668 1.00 0.00 N ATOM 769 CA PRO A 49 -11.964 -0.624 9.138 1.00 0.00 C ATOM 770 C PRO A 49 -10.831 0.274 8.654 1.00 0.00 C ATOM 771 O PRO A 49 -9.851 0.493 9.365 1.00 0.00 O ATOM 772 CB PRO A 49 -12.673 0.010 10.338 1.00 0.00 C ATOM 773 CG PRO A 49 -12.018 -0.599 11.530 1.00 0.00 C ATOM 774 CD PRO A 49 -11.644 -1.999 11.128 1.00 0.00 C ATOM 0 HA PRO A 49 -12.608 -0.763 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.562 1.094 10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.742 -0.201 10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.137 -0.029 11.825 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.694 -0.606 12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.727 -2.326 11.618 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.421 -2.715 11.395 1.00 0.00 H new ATOM 782 N VAL A 50 -10.972 0.793 7.438 1.00 0.00 N ATOM 783 CA VAL A 50 -9.961 1.669 6.859 1.00 0.00 C ATOM 784 C VAL A 50 -9.538 2.749 7.848 1.00 0.00 C ATOM 785 O VAL A 50 -8.455 3.324 7.730 1.00 0.00 O ATOM 786 CB VAL A 50 -10.472 2.341 5.570 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.560 3.490 5.169 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.583 1.321 4.447 1.00 0.00 C ATOM 0 H VAL A 50 -11.777 0.622 6.835 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.101 1.044 6.618 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.465 2.747 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.937 3.952 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.536 4.231 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.553 3.111 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.945 1.812 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.603 0.884 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.280 0.535 4.737 1.00 0.00 H new ATOM 798 N SER A 51 -10.399 3.021 8.823 1.00 0.00 N ATOM 799 CA SER A 51 -10.116 4.035 9.832 1.00 0.00 C ATOM 800 C SER A 51 -8.975 3.592 10.743 1.00 0.00 C ATOM 801 O SER A 51 -8.092 4.381 11.077 1.00 0.00 O ATOM 802 CB SER A 51 -11.368 4.319 10.665 1.00 0.00 C ATOM 803 OG SER A 51 -11.095 5.258 11.691 1.00 0.00 O ATOM 0 H SER A 51 -11.298 2.553 8.936 1.00 0.00 H new ATOM 0 HA SER A 51 -9.814 4.948 9.319 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.159 4.700 10.020 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.734 3.391 11.105 1.00 0.00 H new ATOM 0 HG SER A 51 -11.911 5.424 12.208 1.00 0.00 H new ATOM 809 N GLU A 52 -9.002 2.324 11.140 1.00 0.00 N ATOM 810 CA GLU A 52 -7.970 1.775 12.013 1.00 0.00 C ATOM 811 C GLU A 52 -6.751 1.337 11.206 1.00 0.00 C ATOM 812 O GLU A 52 -5.661 1.164 11.752 1.00 0.00 O ATOM 813 CB GLU A 52 -8.521 0.590 12.809 1.00 0.00 C ATOM 814 CG GLU A 52 -9.603 0.976 13.804 1.00 0.00 C ATOM 815 CD GLU A 52 -9.162 2.078 14.747 1.00 0.00 C ATOM 816 OE1 GLU A 52 -8.419 1.777 15.705 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.560 3.241 14.528 1.00 0.00 O ATOM 0 H GLU A 52 -9.726 1.658 10.872 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.663 2.558 12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.924 -0.147 12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.702 0.110 13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.491 1.301 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.887 0.098 14.385 1.00 0.00 H new ATOM 824 N LEU A 53 -6.944 1.160 9.904 1.00 0.00 N ATOM 825 CA LEU A 53 -5.862 0.741 9.020 1.00 0.00 C ATOM 826 C LEU A 53 -4.870 1.878 8.798 1.00 0.00 C ATOM 827 O LEU A 53 -5.261 3.035 8.635 1.00 0.00 O ATOM 828 CB LEU A 53 -6.425 0.271 7.678 1.00 0.00 C ATOM 829 CG LEU A 53 -6.942 -1.168 7.634 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.784 -1.394 6.389 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.783 -2.153 7.684 1.00 0.00 C ATOM 0 H LEU A 53 -7.840 1.300 9.437 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.337 -0.087 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.240 0.937 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.647 0.380 6.922 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.571 -1.335 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.143 -2.423 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.635 -0.713 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.179 -1.209 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.170 -3.172 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.127 -1.987 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.221 -2.007 8.607 1.00 0.00 H new ATOM 843 N LEU A 54 -3.585 1.543 8.790 1.00 0.00 N ATOM 844 CA LEU A 54 -2.536 2.535 8.585 1.00 0.00 C ATOM 845 C LEU A 54 -1.499 2.033 7.585 1.00 0.00 C ATOM 846 O LEU A 54 -0.757 1.091 7.865 1.00 0.00 O ATOM 847 CB LEU A 54 -1.858 2.872 9.914 1.00 0.00 C ATOM 848 CG LEU A 54 -2.521 3.972 10.745 1.00 0.00 C ATOM 849 CD1 LEU A 54 -1.998 3.949 12.174 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.285 5.335 10.111 1.00 0.00 C ATOM 0 H LEU A 54 -3.244 0.591 8.923 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.997 3.436 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.814 1.965 10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.829 3.169 9.709 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.595 3.786 10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.480 4.738 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.218 2.982 12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.920 4.110 12.170 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.764 6.105 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.214 5.530 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.708 5.347 9.106 1.00 0.00 H new ATOM 862 N LEU A 55 -1.451 2.670 6.420 1.00 0.00 N ATOM 863 CA LEU A 55 -0.503 2.289 5.379 1.00 0.00 C ATOM 864 C LEU A 55 0.787 3.096 5.496 1.00 0.00 C ATOM 865 O LEU A 55 0.765 4.326 5.474 1.00 0.00 O ATOM 866 CB LEU A 55 -1.123 2.496 3.996 1.00 0.00 C ATOM 867 CG LEU A 55 -1.785 1.269 3.367 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.738 0.234 2.988 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.810 0.670 4.319 1.00 0.00 C ATOM 0 H LEU A 55 -2.057 3.452 6.173 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.264 1.234 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.868 3.289 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.345 2.851 3.320 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.301 1.583 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.227 -0.632 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.042 0.667 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.194 -0.076 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.271 -0.202 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.317 0.371 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.578 1.412 4.541 1.00 0.00 H new ATOM 881 N SER A 56 1.909 2.394 5.618 1.00 0.00 N ATOM 882 CA SER A 56 3.208 3.044 5.739 1.00 0.00 C ATOM 883 C SER A 56 4.222 2.414 4.789 1.00 0.00 C ATOM 884 O SER A 56 4.522 1.224 4.884 1.00 0.00 O ATOM 885 CB SER A 56 3.716 2.952 7.179 1.00 0.00 C ATOM 886 OG SER A 56 3.389 1.699 7.756 1.00 0.00 O ATOM 0 H SER A 56 1.944 1.375 5.636 1.00 0.00 H new ATOM 0 HA SER A 56 3.088 4.093 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.797 3.093 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.280 3.755 7.774 1.00 0.00 H new ATOM 0 HG SER A 56 3.726 1.664 8.676 1.00 0.00 H new ATOM 892 N TYR A 57 4.747 3.221 3.874 1.00 0.00 N ATOM 893 CA TYR A 57 5.725 2.743 2.904 1.00 0.00 C ATOM 894 C TYR A 57 7.144 3.093 3.345 1.00 0.00 C ATOM 895 O TYR A 57 7.396 4.184 3.854 1.00 0.00 O ATOM 896 CB TYR A 57 5.445 3.345 1.526 1.00 0.00 C ATOM 897 CG TYR A 57 6.155 4.657 1.282 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.678 5.841 1.831 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.304 4.713 0.502 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.323 7.042 1.610 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.956 5.909 0.277 1.00 0.00 C ATOM 902 CZ TYR A 57 7.462 7.071 0.833 1.00 0.00 C ATOM 903 OH TYR A 57 8.109 8.265 0.610 1.00 0.00 O ATOM 0 H TYR A 57 4.512 4.209 3.784 1.00 0.00 H new ATOM 0 HA TYR A 57 5.639 1.658 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.746 2.631 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.371 3.497 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.787 5.822 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.693 3.806 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.938 7.953 2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.848 5.935 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 57 7.448 8.978 0.492 1.00 0.00 H new ATOM 913 N GLU A 58 8.066 2.157 3.144 1.00 0.00 N ATOM 914 CA GLU A 58 9.460 2.365 3.520 1.00 0.00 C ATOM 915 C GLU A 58 10.329 2.589 2.286 1.00 0.00 C ATOM 916 O GLU A 58 10.568 1.667 1.506 1.00 0.00 O ATOM 917 CB GLU A 58 9.981 1.166 4.314 1.00 0.00 C ATOM 918 CG GLU A 58 11.288 1.438 5.041 1.00 0.00 C ATOM 919 CD GLU A 58 12.046 0.168 5.373 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.761 -0.345 4.486 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.926 -0.312 6.519 1.00 0.00 O ATOM 0 H GLU A 58 7.873 1.248 2.723 1.00 0.00 H new ATOM 0 HA GLU A 58 9.512 3.256 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.226 0.867 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.121 0.325 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.916 2.081 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.081 1.984 5.961 1.00 0.00 H new ATOM 928 N SER A 59 10.798 3.821 2.116 1.00 0.00 N ATOM 929 CA SER A 59 11.637 4.168 0.975 1.00 0.00 C ATOM 930 C SER A 59 12.973 3.433 1.039 1.00 0.00 C ATOM 931 O SER A 59 13.512 3.195 2.119 1.00 0.00 O ATOM 932 CB SER A 59 11.875 5.679 0.931 1.00 0.00 C ATOM 933 OG SER A 59 12.353 6.083 -0.341 1.00 0.00 O ATOM 0 H SER A 59 10.611 4.595 2.753 1.00 0.00 H new ATOM 0 HA SER A 59 11.117 3.862 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.947 6.203 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.595 5.959 1.700 1.00 0.00 H new ATOM 0 HG SER A 59 12.496 7.053 -0.344 1.00 0.00 H new ATOM 939 N SER A 60 13.501 3.076 -0.128 1.00 0.00 N ATOM 940 CA SER A 60 14.772 2.365 -0.206 1.00 0.00 C ATOM 941 C SER A 60 15.944 3.327 -0.040 1.00 0.00 C ATOM 942 O SER A 60 17.048 2.922 0.324 1.00 0.00 O ATOM 943 CB SER A 60 14.886 1.627 -1.541 1.00 0.00 C ATOM 944 OG SER A 60 15.462 2.458 -2.535 1.00 0.00 O ATOM 0 H SER A 60 13.068 3.267 -1.032 1.00 0.00 H new ATOM 0 HA SER A 60 14.805 1.638 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.494 0.731 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.898 1.299 -1.864 1.00 0.00 H new ATOM 0 HG SER A 60 15.526 1.963 -3.378 1.00 0.00 H new ATOM 950 N LYS A 61 15.696 4.604 -0.311 1.00 0.00 N ATOM 951 CA LYS A 61 16.728 5.626 -0.192 1.00 0.00 C ATOM 952 C LYS A 61 16.999 5.959 1.272 1.00 0.00 C ATOM 953 O LYS A 61 18.119 6.310 1.641 1.00 0.00 O ATOM 954 CB LYS A 61 16.311 6.892 -0.945 1.00 0.00 C ATOM 955 CG LYS A 61 16.070 6.666 -2.427 1.00 0.00 C ATOM 956 CD LYS A 61 15.366 7.853 -3.064 1.00 0.00 C ATOM 957 CE LYS A 61 16.361 8.898 -3.546 1.00 0.00 C ATOM 958 NZ LYS A 61 15.681 10.067 -4.169 1.00 0.00 N ATOM 0 H LYS A 61 14.788 4.956 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 61 17.644 5.233 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.402 7.290 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.085 7.649 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.022 6.494 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.469 5.767 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.761 7.511 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.685 8.303 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.968 9.236 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.041 8.446 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.394 10.756 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.122 9.749 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.052 10.514 -3.472 1.00 0.00 H new ATOM 972 N MET A 62 15.967 5.843 2.101 1.00 0.00 N ATOM 973 CA MET A 62 16.095 6.129 3.525 1.00 0.00 C ATOM 974 C MET A 62 15.593 4.957 4.362 1.00 0.00 C ATOM 975 O MET A 62 14.444 4.924 4.802 1.00 0.00 O ATOM 976 CB MET A 62 15.319 7.397 3.885 1.00 0.00 C ATOM 977 CG MET A 62 15.900 8.150 5.070 1.00 0.00 C ATOM 978 SD MET A 62 17.346 9.132 4.628 1.00 0.00 S ATOM 979 CE MET A 62 16.613 10.758 4.459 1.00 0.00 C ATOM 0 H MET A 62 15.033 5.553 1.811 1.00 0.00 H new ATOM 0 HA MET A 62 17.151 6.284 3.745 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.299 8.059 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.286 7.130 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.136 8.804 5.490 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.173 7.438 5.849 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.384 11.478 4.187 1.00 0.00 H new ATOM 0 HE2 MET A 62 15.849 10.734 3.682 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.159 11.053 5.405 1.00 0.00 H new ATOM 989 N PRO A 63 16.473 3.970 4.588 1.00 0.00 N ATOM 990 CA PRO A 63 16.141 2.778 5.374 1.00 0.00 C ATOM 991 C PRO A 63 15.963 3.091 6.856 1.00 0.00 C ATOM 992 O PRO A 63 16.376 4.149 7.330 1.00 0.00 O ATOM 993 CB PRO A 63 17.351 1.865 5.162 1.00 0.00 C ATOM 994 CG PRO A 63 18.473 2.791 4.843 1.00 0.00 C ATOM 995 CD PRO A 63 17.860 3.942 4.094 1.00 0.00 C ATOM 0 HA PRO A 63 15.195 2.335 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.565 1.277 6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.177 1.159 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.965 3.135 5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.231 2.292 4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.379 4.878 4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.900 3.787 3.016 1.00 0.00 H new ATOM 1003 N GLY A 64 15.347 2.164 7.582 1.00 0.00 N ATOM 1004 CA GLY A 64 15.126 2.361 9.003 1.00 0.00 C ATOM 1005 C GLY A 64 14.168 3.501 9.289 1.00 0.00 C ATOM 1006 O GLY A 64 14.204 4.096 10.366 1.00 0.00 O ATOM 0 H GLY A 64 14.997 1.280 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.732 1.442 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.080 2.561 9.491 1.00 0.00 H new ATOM 1010 N ARG A 65 13.310 3.807 8.321 1.00 0.00 N ATOM 1011 CA ARG A 65 12.341 4.885 8.473 1.00 0.00 C ATOM 1012 C ARG A 65 11.117 4.644 7.594 1.00 0.00 C ATOM 1013 O ARG A 65 11.244 4.332 6.410 1.00 0.00 O ATOM 1014 CB ARG A 65 12.980 6.229 8.117 1.00 0.00 C ATOM 1015 CG ARG A 65 12.362 7.410 8.847 1.00 0.00 C ATOM 1016 CD ARG A 65 12.546 8.704 8.070 1.00 0.00 C ATOM 1017 NE ARG A 65 11.612 9.740 8.502 1.00 0.00 N ATOM 1018 CZ ARG A 65 11.702 11.012 8.131 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.679 11.403 7.325 1.00 0.00 N ATOM 1020 NH2 ARG A 65 10.814 11.896 8.567 1.00 0.00 N ATOM 0 H ARG A 65 13.266 3.324 7.424 1.00 0.00 H new ATOM 0 HA ARG A 65 12.021 4.907 9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.045 6.188 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.892 6.390 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.299 7.226 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.817 7.508 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.568 9.061 8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.406 8.511 7.006 1.00 0.00 H new ATOM 0 HE ARG A 65 10.848 9.472 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.364 10.726 6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.746 12.381 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.061 11.599 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.884 12.873 8.281 1.00 0.00 H new ATOM 1034 N GLU A 66 9.934 4.790 8.182 1.00 0.00 N ATOM 1035 CA GLU A 66 8.688 4.586 7.452 1.00 0.00 C ATOM 1036 C GLU A 66 7.812 5.834 7.512 1.00 0.00 C ATOM 1037 O GLU A 66 7.789 6.541 8.520 1.00 0.00 O ATOM 1038 CB GLU A 66 7.927 3.387 8.022 1.00 0.00 C ATOM 1039 CG GLU A 66 7.708 3.464 9.524 1.00 0.00 C ATOM 1040 CD GLU A 66 8.974 3.188 10.312 1.00 0.00 C ATOM 1041 OE1 GLU A 66 9.440 2.030 10.299 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.497 4.130 10.943 1.00 0.00 O ATOM 0 H GLU A 66 9.812 5.049 9.161 1.00 0.00 H new ATOM 0 HA GLU A 66 8.936 4.387 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.960 3.312 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.476 2.475 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.332 4.454 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.941 2.746 9.813 1.00 0.00 H new ATOM 1049 N ILE A 67 7.093 6.098 6.426 1.00 0.00 N ATOM 1050 CA ILE A 67 6.216 7.260 6.355 1.00 0.00 C ATOM 1051 C ILE A 67 4.757 6.858 6.544 1.00 0.00 C ATOM 1052 O ILE A 67 4.170 6.194 5.690 1.00 0.00 O ATOM 1053 CB ILE A 67 6.363 7.996 5.010 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.801 8.486 4.828 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.388 9.161 4.934 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.719 7.452 4.213 1.00 0.00 C ATOM 0 H ILE A 67 7.101 5.523 5.584 1.00 0.00 H new ATOM 0 HA ILE A 67 6.514 7.931 7.161 1.00 0.00 H new ATOM 0 HB ILE A 67 6.130 7.300 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.796 9.376 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.200 8.784 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.504 9.671 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.368 8.788 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.592 9.860 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.721 7.868 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.754 6.570 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.344 7.172 3.229 1.00 0.00 H new ATOM 1068 N GLU A 68 4.177 7.268 7.668 1.00 0.00 N ATOM 1069 CA GLU A 68 2.785 6.951 7.968 1.00 0.00 C ATOM 1070 C GLU A 68 1.840 7.783 7.106 1.00 0.00 C ATOM 1071 O GLU A 68 1.726 8.996 7.282 1.00 0.00 O ATOM 1072 CB GLU A 68 2.491 7.198 9.450 1.00 0.00 C ATOM 1073 CG GLU A 68 3.101 8.483 9.986 1.00 0.00 C ATOM 1074 CD GLU A 68 4.489 8.275 10.558 1.00 0.00 C ATOM 1075 OE1 GLU A 68 4.696 7.265 11.262 1.00 0.00 O ATOM 1076 OE2 GLU A 68 5.369 9.124 10.302 1.00 0.00 O ATOM 0 H GLU A 68 4.649 7.820 8.385 1.00 0.00 H new ATOM 0 HA GLU A 68 2.622 5.897 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.411 7.229 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.868 6.357 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.149 9.220 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.452 8.894 10.759 1.00 0.00 H new ATOM 1083 N LEU A 69 1.165 7.121 6.172 1.00 0.00 N ATOM 1084 CA LEU A 69 0.229 7.797 5.281 1.00 0.00 C ATOM 1085 C LEU A 69 -1.085 8.095 5.995 1.00 0.00 C ATOM 1086 O LEU A 69 -1.941 7.222 6.128 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.033 6.941 4.041 1.00 0.00 C ATOM 1088 CG LEU A 69 1.192 6.280 3.409 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.769 5.189 2.438 1.00 0.00 C ATOM 1090 CD2 LEU A 69 2.054 7.318 2.705 1.00 0.00 C ATOM 0 H LEU A 69 1.249 6.117 6.012 1.00 0.00 H new ATOM 0 HA LEU A 69 0.676 8.743 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.745 6.160 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.513 7.566 3.288 1.00 0.00 H new ATOM 0 HG LEU A 69 1.784 5.822 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.654 4.730 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.194 4.431 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.155 5.623 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.922 6.830 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.471 7.805 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.387 8.064 3.426 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.237 9.335 6.450 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.449 9.748 7.150 1.00 0.00 C ATOM 1104 C GLU A 70 -3.456 10.357 6.179 1.00 0.00 C ATOM 1105 O GLU A 70 -4.665 10.190 6.337 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.110 10.755 8.250 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.496 12.043 7.728 1.00 0.00 C ATOM 1108 CD GLU A 70 -2.538 13.098 7.407 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -3.737 12.752 7.360 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -2.154 14.269 7.203 1.00 0.00 O ATOM 0 H GLU A 70 -0.538 10.070 6.347 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.897 8.864 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.018 10.994 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.419 10.292 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.802 12.437 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.915 11.827 6.831 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.949 11.064 5.175 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.804 11.699 4.179 1.00 0.00 C ATOM 1119 C ASN A 71 -4.443 10.657 3.266 1.00 0.00 C ATOM 1120 O ASN A 71 -3.862 10.262 2.255 1.00 0.00 O ATOM 1121 CB ASN A 71 -2.997 12.697 3.345 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.845 13.848 2.841 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.038 13.533 2.349 1.00 0.00 O flip ATOM 1124 ND2 ASN A 71 -3.433 15.007 2.894 1.00 0.00 N flip ATOM 0 H ASN A 71 -1.950 11.212 5.029 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.597 12.231 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.177 13.090 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.550 12.179 2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.509 15.203 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.015 15.771 2.552 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.642 10.216 3.630 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.362 9.221 2.843 1.00 0.00 C ATOM 1133 C ASP A 72 -6.829 9.811 1.516 1.00 0.00 C ATOM 1134 O ASP A 72 -7.008 9.091 0.533 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.561 8.689 3.629 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.166 7.638 4.648 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.293 6.802 4.330 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.728 7.650 5.762 1.00 0.00 O ATOM 0 H ASP A 72 -6.136 10.532 4.465 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.680 8.397 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.054 9.517 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.286 8.264 2.935 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.027 11.125 1.496 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.474 11.812 0.290 1.00 0.00 C ATOM 1145 C LEU A 73 -6.291 12.171 -0.604 1.00 0.00 C ATOM 1146 O LEU A 73 -6.329 13.164 -1.330 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.252 13.077 0.659 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.628 12.860 1.288 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.241 14.188 1.703 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.546 12.125 0.322 1.00 0.00 C ATOM 0 H LEU A 73 -6.885 11.735 2.301 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.129 11.137 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.647 13.662 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.377 13.678 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.506 12.246 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.220 14.013 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.593 14.676 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.350 14.828 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.521 11.979 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.662 12.713 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.113 11.156 0.075 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.244 11.355 -0.546 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.050 11.586 -1.351 1.00 0.00 C ATOM 1164 C GLN A 74 -3.530 10.279 -1.940 1.00 0.00 C ATOM 1165 O GLN A 74 -3.533 9.233 -1.291 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.960 12.249 -0.507 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.243 13.708 -0.185 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.206 14.594 -1.414 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.529 14.286 -2.396 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.935 15.703 -1.367 1.00 0.00 N ATOM 0 H GLN A 74 -5.198 10.528 0.050 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.319 12.252 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.847 11.695 0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.010 12.180 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.222 13.789 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.510 14.065 0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.481 15.919 -0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.949 16.338 -2.165 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.072 10.339 -3.199 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.539 9.168 -3.904 1.00 0.00 C ATOM 1181 C PRO A 75 -1.201 8.709 -3.334 1.00 0.00 C ATOM 1182 O PRO A 75 -0.601 9.391 -2.502 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.366 9.668 -5.340 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.199 11.143 -5.211 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.038 11.552 -4.032 1.00 0.00 C ATOM 0 HA PRO A 75 -3.197 8.303 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.498 9.212 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.233 9.420 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.153 11.405 -5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.524 11.654 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.597 12.394 -3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.039 11.857 -4.338 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.738 7.549 -3.788 1.00 0.00 N ATOM 1194 CA LEU A 76 0.531 6.998 -3.324 1.00 0.00 C ATOM 1195 C LEU A 76 1.704 7.835 -3.826 1.00 0.00 C ATOM 1196 O LEU A 76 2.705 7.996 -3.129 1.00 0.00 O ATOM 1197 CB LEU A 76 0.683 5.551 -3.795 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.209 4.522 -3.101 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.087 4.478 -1.610 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.677 4.837 -3.346 1.00 0.00 C ATOM 0 H LEU A 76 -1.222 6.972 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 76 0.533 7.021 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.480 5.515 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.722 5.253 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 76 0.006 3.540 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.558 3.740 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.130 4.204 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.099 5.459 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.297 4.094 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.907 5.827 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.880 4.816 -4.417 1.00 0.00 H new ATOM 1212 N GLN A 77 1.570 8.365 -5.037 1.00 0.00 N ATOM 1213 CA GLN A 77 2.619 9.186 -5.631 1.00 0.00 C ATOM 1214 C GLN A 77 2.870 10.437 -4.795 1.00 0.00 C ATOM 1215 O GLN A 77 4.004 10.901 -4.678 1.00 0.00 O ATOM 1216 CB GLN A 77 2.240 9.580 -7.059 1.00 0.00 C ATOM 1217 CG GLN A 77 2.840 10.904 -7.505 1.00 0.00 C ATOM 1218 CD GLN A 77 2.192 12.096 -6.829 1.00 0.00 C ATOM 1219 OE1 GLN A 77 3.012 12.973 -6.262 1.00 0.00 O flip ATOM 1220 NE2 GLN A 77 0.968 12.226 -6.815 1.00 0.00 N flip ATOM 0 H GLN A 77 0.746 8.241 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 77 3.536 8.598 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.565 8.795 -7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.154 9.639 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.908 10.905 -7.289 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.733 11.001 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.376 11.527 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.546 13.033 -6.355 1.00 0.00 H new ATOM 1229 N PHE A 78 1.804 10.979 -4.216 1.00 0.00 N ATOM 1230 CA PHE A 78 1.908 12.177 -3.391 1.00 0.00 C ATOM 1231 C PHE A 78 2.853 11.948 -2.216 1.00 0.00 C ATOM 1232 O PHE A 78 3.242 12.891 -1.526 1.00 0.00 O ATOM 1233 CB PHE A 78 0.527 12.590 -2.877 1.00 0.00 C ATOM 1234 CG PHE A 78 0.558 13.784 -1.967 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.679 15.063 -2.485 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.467 13.627 -0.593 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.709 16.164 -1.649 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.497 14.724 0.247 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.616 15.994 -0.282 1.00 0.00 C ATOM 0 H PHE A 78 0.858 10.608 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 78 2.313 12.979 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.118 12.809 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.080 11.750 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.751 15.202 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.372 12.636 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.805 17.156 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.427 14.588 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.636 16.853 0.372 1.00 0.00 H new ATOM 1249 N TYR A 79 3.218 10.691 -1.994 1.00 0.00 N ATOM 1250 CA TYR A 79 4.115 10.336 -0.901 1.00 0.00 C ATOM 1251 C TYR A 79 5.471 9.883 -1.434 1.00 0.00 C ATOM 1252 O TYR A 79 6.251 9.251 -0.722 1.00 0.00 O ATOM 1253 CB TYR A 79 3.497 9.231 -0.043 1.00 0.00 C ATOM 1254 CG TYR A 79 2.507 9.741 0.980 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.934 10.201 2.219 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.145 9.764 0.706 1.00 0.00 C ATOM 1257 CE1 TYR A 79 2.033 10.667 3.157 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.237 10.229 1.638 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.686 10.679 2.862 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.214 11.144 3.793 1.00 0.00 O ATOM 0 H TYR A 79 2.906 9.900 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 79 4.264 11.223 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.997 8.514 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.294 8.693 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.988 10.194 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.790 9.413 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.382 11.020 4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.818 10.240 1.409 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.225 12.124 3.777 1.00 0.00 H new ATOM 1270 N SER A 80 5.745 10.212 -2.692 1.00 0.00 N ATOM 1271 CA SER A 80 7.005 9.837 -3.324 1.00 0.00 C ATOM 1272 C SER A 80 7.131 8.320 -3.424 1.00 0.00 C ATOM 1273 O SER A 80 8.235 7.775 -3.411 1.00 0.00 O ATOM 1274 CB SER A 80 8.185 10.408 -2.535 1.00 0.00 C ATOM 1275 OG SER A 80 9.410 10.165 -3.203 1.00 0.00 O ATOM 0 H SER A 80 5.111 10.738 -3.294 1.00 0.00 H new ATOM 0 HA SER A 80 7.016 10.252 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.049 11.481 -2.397 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.214 9.960 -1.542 1.00 0.00 H new ATOM 0 HG SER A 80 9.469 9.217 -3.444 1.00 0.00 H new ATOM 1281 N VAL A 81 5.992 7.643 -3.525 1.00 0.00 N ATOM 1282 CA VAL A 81 5.974 6.189 -3.629 1.00 0.00 C ATOM 1283 C VAL A 81 6.211 5.737 -5.066 1.00 0.00 C ATOM 1284 O VAL A 81 5.416 6.031 -5.958 1.00 0.00 O ATOM 1285 CB VAL A 81 4.636 5.607 -3.135 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.675 4.087 -3.155 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.315 6.122 -1.740 1.00 0.00 C ATOM 0 H VAL A 81 5.070 8.078 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 81 6.780 5.817 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 81 3.845 5.935 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.721 3.694 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.857 3.741 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.475 3.735 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.367 5.701 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.106 5.825 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.242 7.209 -1.761 1.00 0.00 H new ATOM 1297 N GLU A 82 7.311 5.021 -5.282 1.00 0.00 N ATOM 1298 CA GLU A 82 7.652 4.530 -6.612 1.00 0.00 C ATOM 1299 C GLU A 82 7.707 3.005 -6.630 1.00 0.00 C ATOM 1300 O GLU A 82 7.691 2.360 -5.583 1.00 0.00 O ATOM 1301 CB GLU A 82 8.997 5.105 -7.062 1.00 0.00 C ATOM 1302 CG GLU A 82 8.877 6.433 -7.791 1.00 0.00 C ATOM 1303 CD GLU A 82 8.268 6.287 -9.172 1.00 0.00 C ATOM 1304 OE1 GLU A 82 8.637 5.330 -9.884 1.00 0.00 O ATOM 1305 OE2 GLU A 82 7.424 7.130 -9.541 1.00 0.00 O ATOM 0 H GLU A 82 7.980 4.769 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 82 6.875 4.857 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.637 5.235 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.491 4.385 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.266 7.114 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.865 6.885 -7.879 1.00 0.00 H new ATOM 1312 N ASN A 83 7.772 2.436 -7.830 1.00 0.00 N ATOM 1313 CA ASN A 83 7.827 0.987 -7.986 1.00 0.00 C ATOM 1314 C ASN A 83 9.059 0.412 -7.293 1.00 0.00 C ATOM 1315 O ASN A 83 10.151 0.972 -7.381 1.00 0.00 O ATOM 1316 CB ASN A 83 7.842 0.613 -9.470 1.00 0.00 C ATOM 1317 CG ASN A 83 8.840 1.434 -10.263 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.038 2.620 -9.995 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.475 0.806 -11.246 1.00 0.00 N ATOM 0 H ASN A 83 7.788 2.956 -8.707 1.00 0.00 H new ATOM 0 HA ASN A 83 6.938 0.562 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.083 -0.445 -9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.845 0.755 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.158 1.307 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.280 -0.178 -11.433 1.00 0.00 H new ATOM 1326 N GLY A 84 8.875 -0.710 -6.605 1.00 0.00 N ATOM 1327 CA GLY A 84 9.979 -1.343 -5.908 1.00 0.00 C ATOM 1328 C GLY A 84 9.912 -1.137 -4.407 1.00 0.00 C ATOM 1329 O GLY A 84 10.366 -1.983 -3.637 1.00 0.00 O ATOM 0 H GLY A 84 7.980 -1.192 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.977 -2.411 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.920 -0.942 -6.285 1.00 0.00 H new ATOM 1333 N ASP A 85 9.346 -0.009 -3.992 1.00 0.00 N ATOM 1334 CA ASP A 85 9.222 0.306 -2.573 1.00 0.00 C ATOM 1335 C ASP A 85 8.481 -0.803 -1.833 1.00 0.00 C ATOM 1336 O ASP A 85 8.038 -1.779 -2.439 1.00 0.00 O ATOM 1337 CB ASP A 85 8.491 1.637 -2.387 1.00 0.00 C ATOM 1338 CG ASP A 85 9.366 2.830 -2.717 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.296 3.117 -1.935 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.121 3.476 -3.758 1.00 0.00 O ATOM 0 H ASP A 85 8.966 0.702 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 85 10.225 0.389 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.605 1.653 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.146 1.718 -1.356 1.00 0.00 H new ATOM 1345 N CYS A 86 8.352 -0.647 -0.520 1.00 0.00 N ATOM 1346 CA CYS A 86 7.667 -1.637 0.304 1.00 0.00 C ATOM 1347 C CYS A 86 6.371 -1.067 0.873 1.00 0.00 C ATOM 1348 O CYS A 86 6.189 0.150 0.933 1.00 0.00 O ATOM 1349 CB CYS A 86 8.577 -2.102 1.441 1.00 0.00 C ATOM 1350 SG CYS A 86 10.007 -3.064 0.896 1.00 0.00 S ATOM 0 H CYS A 86 8.713 0.155 -0.003 1.00 0.00 H new ATOM 0 HA CYS A 86 7.421 -2.491 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.928 -1.229 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.992 -2.703 2.137 1.00 0.00 H new ATOM 0 HG CYS A 86 10.717 -3.409 1.929 1.00 0.00 H new ATOM 1356 N LEU A 87 5.474 -1.954 1.289 1.00 0.00 N ATOM 1357 CA LEU A 87 4.193 -1.540 1.852 1.00 0.00 C ATOM 1358 C LEU A 87 3.971 -2.173 3.222 1.00 0.00 C ATOM 1359 O LEU A 87 3.956 -3.398 3.356 1.00 0.00 O ATOM 1360 CB LEU A 87 3.052 -1.923 0.909 1.00 0.00 C ATOM 1361 CG LEU A 87 2.829 -0.996 -0.286 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.676 -1.497 -1.143 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.566 0.427 0.185 1.00 0.00 C ATOM 0 H LEU A 87 5.610 -2.964 1.247 1.00 0.00 H new ATOM 0 HA LEU A 87 4.209 -0.457 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.240 -2.929 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.129 -1.966 1.487 1.00 0.00 H new ATOM 0 HG LEU A 87 3.733 -0.995 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.532 -0.824 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.903 -2.498 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.765 -1.528 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.410 1.073 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.677 0.443 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.423 0.786 0.756 1.00 0.00 H new ATOM 1375 N LEU A 88 3.797 -1.333 4.235 1.00 0.00 N ATOM 1376 CA LEU A 88 3.572 -1.810 5.595 1.00 0.00 C ATOM 1377 C LEU A 88 2.128 -1.572 6.024 1.00 0.00 C ATOM 1378 O LEU A 88 1.728 -0.439 6.295 1.00 0.00 O ATOM 1379 CB LEU A 88 4.526 -1.111 6.566 1.00 0.00 C ATOM 1380 CG LEU A 88 6.005 -1.118 6.175 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.725 0.071 6.792 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.663 -2.422 6.600 1.00 0.00 C ATOM 0 H LEU A 88 3.807 -0.317 4.141 1.00 0.00 H new ATOM 0 HA LEU A 88 3.765 -2.883 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.205 -0.075 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.427 -1.582 7.544 1.00 0.00 H new ATOM 0 HG LEU A 88 6.075 -1.036 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.776 0.050 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.270 0.996 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.646 0.021 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.715 -2.409 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.583 -2.535 7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.164 -3.258 6.110 1.00 0.00 H new ATOM 1394 N VAL A 89 1.349 -2.647 6.086 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.050 -2.556 6.486 1.00 0.00 C ATOM 1396 C VAL A 89 -0.214 -2.825 7.978 1.00 0.00 C ATOM 1397 O VAL A 89 -0.259 -3.977 8.410 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.925 -3.549 5.698 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.353 -3.535 6.221 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.889 -3.226 4.211 1.00 0.00 C ATOM 0 H VAL A 89 1.663 -3.592 5.864 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.377 -1.540 6.265 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.523 -4.552 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.956 -4.243 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.358 -3.818 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.770 -2.534 6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.512 -3.937 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.266 -2.216 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.137 -3.293 3.849 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.303 -1.754 8.760 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.462 -1.874 10.204 1.00 0.00 C ATOM 1412 C ARG A 90 -1.685 -1.098 10.683 1.00 0.00 C ATOM 1413 O ARG A 90 -2.127 -0.153 10.030 1.00 0.00 O ATOM 1414 CB ARG A 90 0.791 -1.365 10.920 1.00 0.00 C ATOM 1415 CG ARG A 90 0.978 0.140 10.824 1.00 0.00 C ATOM 1416 CD ARG A 90 0.298 0.861 11.977 1.00 0.00 C ATOM 1417 NE ARG A 90 1.145 0.912 13.166 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.274 1.610 13.234 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.688 2.311 12.188 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.990 1.607 14.351 1.00 0.00 N ATOM 0 H ARG A 90 -0.268 -0.794 8.418 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.606 -2.928 10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.740 -1.650 11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.666 -1.859 10.498 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.042 0.376 10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.571 0.499 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.042 1.875 11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.637 0.356 12.219 1.00 0.00 H new ATOM 0 HE ARG A 90 0.854 0.383 13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.140 2.316 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.555 2.846 12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.674 1.069 15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.856 2.143 14.403 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.226 -1.504 11.826 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.399 -0.847 12.392 1.00 0.00 C ATOM 1436 C TRP A 91 -3.309 -0.788 13.913 1.00 0.00 C ATOM 1437 O TRP A 91 -2.601 -1.582 14.533 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.673 -1.582 11.972 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.684 -3.027 12.370 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.110 -3.548 13.558 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.245 -4.137 11.578 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.964 -4.914 13.553 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.436 -5.300 12.349 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.713 -4.262 10.292 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.111 -6.569 11.876 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.390 -5.521 9.824 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.591 -6.661 10.614 1.00 0.00 C ATOM 0 H TRP A 91 -1.872 -2.284 12.379 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.434 0.173 12.009 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.535 -1.084 12.416 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.786 -1.510 10.890 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.504 -2.971 14.381 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.209 -5.539 14.321 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.557 -3.390 9.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.264 -7.449 12.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.976 -5.629 8.833 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.330 -7.632 10.219 1.00 0.00 H new