USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 18 HIS : no HD1:sc= -3.35! X(o=-5.2!,f=-5.3) USER MOD Set 1.2: A 63 MET CE :methyl 159:sc= -1.84 (180deg=-3.47!) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -0.452 K(o=-3.2,f=-4) USER MOD Set 2.2: A 52 GLN : amide:sc= -2.73 K(o=-3.2,f=-8.3!) USER MOD Single : A 3 HIS : no HD1:sc= -2.58! X(o=-2.6!,f=-2.9) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 0.481 (180deg=-0.534) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.34 F(o=-1.4,f=-0.34) USER MOD Single : A 16 ASN : amide:sc= -2.73 K(o=-2.7,f=-6.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.431) USER MOD Single : A 26 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 27 ASN : amide:sc= -0.671 K(o=-0.67,f=-1.3) USER MOD Single : A 28 GLN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 107:sc= 1.21 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.465 F(o=-1.3,f=-0.46) USER MOD Single : A 39 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.35) USER MOD Single : A 40 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 42 SER OG : rot 180:sc= -0.227 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.364) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 83:sc= 1.13 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0405 X(o=-0.04,f=-0.34) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.701 -6.664 8.606 1.00 0.00 N ATOM 41 CA HIS A 3 -10.659 -6.907 9.597 1.00 0.00 C ATOM 42 C HIS A 3 -9.313 -7.151 8.923 1.00 0.00 C ATOM 43 O HIS A 3 -8.270 -6.759 9.439 1.00 0.00 O ATOM 44 CB HIS A 3 -11.029 -8.107 10.470 1.00 0.00 C ATOM 45 CG HIS A 3 -10.488 -8.025 11.864 1.00 0.00 C ATOM 46 ND1 HIS A 3 -10.974 -8.785 12.907 1.00 0.00 N ATOM 47 CD2 HIS A 3 -9.494 -7.267 12.385 1.00 0.00 C ATOM 48 CE1 HIS A 3 -10.304 -8.498 14.009 1.00 0.00 C ATOM 49 NE2 HIS A 3 -9.401 -7.581 13.719 1.00 0.00 N ATOM 0 HA HIS A 3 -10.575 -6.020 10.225 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.115 -8.192 10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.658 -9.017 9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.888 -6.550 11.851 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.468 -8.939 14.981 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.740 -7.171 14.379 1.00 0.00 H new ATOM 58 N GLU A 4 -9.349 -7.799 7.763 1.00 0.00 N ATOM 59 CA GLU A 4 -8.135 -8.103 7.008 1.00 0.00 C ATOM 60 C GLU A 4 -7.507 -6.840 6.413 1.00 0.00 C ATOM 61 O GLU A 4 -6.430 -6.888 5.826 1.00 0.00 O ATOM 62 CB GLU A 4 -8.445 -9.100 5.891 1.00 0.00 C ATOM 63 CG GLU A 4 -8.439 -10.549 6.350 1.00 0.00 C ATOM 64 CD GLU A 4 -9.264 -11.448 5.450 1.00 0.00 C ATOM 65 OE1 GLU A 4 -8.708 -11.968 4.460 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.466 -11.631 5.734 1.00 0.00 O ATOM 0 H GLU A 4 -10.209 -8.126 7.322 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.418 -8.542 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.422 -8.866 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.713 -8.977 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.412 -10.913 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.826 -10.606 7.367 1.00 0.00 H new ATOM 73 N PHE A 5 -8.175 -5.712 6.569 1.00 0.00 N ATOM 74 CA PHE A 5 -7.665 -4.456 6.055 1.00 0.00 C ATOM 75 C PHE A 5 -6.820 -3.758 7.106 1.00 0.00 C ATOM 76 O PHE A 5 -6.016 -2.881 6.799 1.00 0.00 O ATOM 77 CB PHE A 5 -8.806 -3.551 5.622 1.00 0.00 C ATOM 78 CG PHE A 5 -9.218 -3.738 4.189 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.809 -4.920 3.772 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.014 -2.731 3.259 1.00 0.00 C ATOM 81 CE1 PHE A 5 -10.189 -5.094 2.455 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.392 -2.899 1.941 1.00 0.00 C ATOM 83 CZ PHE A 5 -9.980 -4.082 1.537 1.00 0.00 C ATOM 0 H PHE A 5 -9.073 -5.641 7.048 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.042 -4.671 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.667 -3.735 6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.511 -2.513 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.975 -5.714 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.554 -1.804 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.649 -6.020 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.228 -2.106 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.276 -4.216 0.507 1.00 0.00 H new ATOM 93 N ARG A 6 -7.007 -4.160 8.352 1.00 0.00 N ATOM 94 CA ARG A 6 -6.255 -3.592 9.451 1.00 0.00 C ATOM 95 C ARG A 6 -5.432 -4.680 10.113 1.00 0.00 C ATOM 96 O ARG A 6 -4.336 -4.430 10.609 1.00 0.00 O ATOM 97 CB ARG A 6 -7.190 -2.933 10.467 1.00 0.00 C ATOM 98 CG ARG A 6 -6.465 -2.334 11.662 1.00 0.00 C ATOM 99 CD ARG A 6 -6.386 -3.318 12.818 1.00 0.00 C ATOM 100 NE ARG A 6 -5.344 -2.953 13.774 1.00 0.00 N ATOM 101 CZ ARG A 6 -5.299 -3.397 15.028 1.00 0.00 C ATOM 102 NH1 ARG A 6 -6.232 -4.226 15.480 1.00 0.00 N ATOM 103 NH2 ARG A 6 -4.318 -3.011 15.832 1.00 0.00 N ATOM 0 H ARG A 6 -7.676 -4.880 8.625 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.588 -2.822 9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.760 -2.149 9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.907 -3.673 10.821 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.459 -2.037 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.982 -1.431 11.987 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.349 -3.357 13.328 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.189 -4.318 12.431 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.607 -2.320 13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.989 -4.526 14.865 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.192 -4.563 16.442 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.599 -2.374 15.489 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.283 -3.351 16.793 1.00 0.00 H new ATOM 117 N ASP A 7 -5.960 -5.899 10.099 1.00 0.00 N ATOM 118 CA ASP A 7 -5.256 -7.023 10.680 1.00 0.00 C ATOM 119 C ASP A 7 -4.382 -7.691 9.633 1.00 0.00 C ATOM 120 O ASP A 7 -3.322 -8.222 9.956 1.00 0.00 O ATOM 121 CB ASP A 7 -6.229 -8.035 11.287 1.00 0.00 C ATOM 122 CG ASP A 7 -6.556 -7.727 12.734 1.00 0.00 C ATOM 123 OD1 ASP A 7 -6.519 -6.537 13.111 1.00 0.00 O ATOM 124 OD2 ASP A 7 -6.849 -8.676 13.492 1.00 0.00 O ATOM 0 H ASP A 7 -6.867 -6.128 9.693 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.623 -6.646 11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.150 -8.044 10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.799 -9.034 11.220 1.00 0.00 H new ATOM 129 N GLU A 8 -4.803 -7.642 8.370 1.00 0.00 N ATOM 130 CA GLU A 8 -3.995 -8.232 7.316 1.00 0.00 C ATOM 131 C GLU A 8 -3.062 -7.180 6.750 1.00 0.00 C ATOM 132 O GLU A 8 -1.983 -7.494 6.251 1.00 0.00 O ATOM 133 CB GLU A 8 -4.857 -8.846 6.215 1.00 0.00 C ATOM 134 CG GLU A 8 -4.462 -10.270 5.855 1.00 0.00 C ATOM 135 CD GLU A 8 -4.267 -10.465 4.363 1.00 0.00 C ATOM 136 OE1 GLU A 8 -4.772 -9.630 3.583 1.00 0.00 O ATOM 137 OE2 GLU A 8 -3.611 -11.454 3.975 1.00 0.00 O ATOM 0 H GLU A 8 -5.675 -7.212 8.062 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.408 -9.044 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.899 -8.837 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.791 -8.223 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.539 -10.529 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.231 -10.956 6.209 1.00 0.00 H new ATOM 144 N ILE A 9 -3.475 -5.918 6.835 1.00 0.00 N ATOM 145 CA ILE A 9 -2.644 -4.840 6.332 1.00 0.00 C ATOM 146 C ILE A 9 -1.623 -4.403 7.371 1.00 0.00 C ATOM 147 O ILE A 9 -0.532 -3.957 7.026 1.00 0.00 O ATOM 148 CB ILE A 9 -3.482 -3.622 5.908 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.553 -4.046 4.897 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.582 -2.533 5.335 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.266 -2.887 4.231 1.00 0.00 C ATOM 0 H ILE A 9 -4.364 -5.625 7.240 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.126 -5.231 5.456 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.985 -3.213 6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.088 -4.663 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.290 -4.669 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.189 -1.677 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.861 -2.222 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.052 -2.920 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.008 -3.270 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.762 -2.281 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.542 -2.275 3.694 1.00 0.00 H new ATOM 163 N SER A 10 -1.975 -4.509 8.644 1.00 0.00 N ATOM 164 CA SER A 10 -1.057 -4.095 9.691 1.00 0.00 C ATOM 165 C SER A 10 -0.172 -5.235 10.181 1.00 0.00 C ATOM 166 O SER A 10 0.873 -4.995 10.780 1.00 0.00 O ATOM 167 CB SER A 10 -1.819 -3.480 10.865 1.00 0.00 C ATOM 168 OG SER A 10 -0.974 -2.649 11.644 1.00 0.00 O ATOM 0 H SER A 10 -2.871 -4.871 8.971 1.00 0.00 H new ATOM 0 HA SER A 10 -0.402 -3.343 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.661 -2.898 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.231 -4.272 11.490 1.00 0.00 H new ATOM 0 HG SER A 10 -1.486 -2.267 12.387 1.00 0.00 H new ATOM 174 N VAL A 11 -0.587 -6.473 9.954 1.00 0.00 N ATOM 175 CA VAL A 11 0.205 -7.609 10.414 1.00 0.00 C ATOM 176 C VAL A 11 1.195 -8.087 9.359 1.00 0.00 C ATOM 177 O VAL A 11 2.313 -8.486 9.682 1.00 0.00 O ATOM 178 CB VAL A 11 -0.686 -8.787 10.859 1.00 0.00 C ATOM 179 CG1 VAL A 11 0.162 -9.980 11.280 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.603 -8.358 11.995 1.00 0.00 C ATOM 0 H VAL A 11 -1.449 -6.716 9.465 1.00 0.00 H new ATOM 0 HA VAL A 11 0.769 -7.251 11.275 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.300 -9.090 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.489 -10.798 11.590 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.777 -10.304 10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.805 -9.694 12.112 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.225 -9.200 12.298 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.002 -8.027 12.842 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.239 -7.539 11.660 1.00 0.00 H new ATOM 190 N LEU A 12 0.775 -8.067 8.105 1.00 0.00 N ATOM 191 CA LEU A 12 1.628 -8.522 7.015 1.00 0.00 C ATOM 192 C LEU A 12 2.459 -7.393 6.440 1.00 0.00 C ATOM 193 O LEU A 12 3.625 -7.584 6.105 1.00 0.00 O ATOM 194 CB LEU A 12 0.787 -9.139 5.900 1.00 0.00 C ATOM 195 CG LEU A 12 -0.494 -9.820 6.365 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.387 -10.150 5.177 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.171 -11.078 7.159 1.00 0.00 C ATOM 0 H LEU A 12 -0.147 -7.742 7.815 1.00 0.00 H new ATOM 0 HA LEU A 12 2.302 -9.271 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.527 -8.358 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.396 -9.869 5.367 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.033 -9.132 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.297 -10.636 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.647 -9.231 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.858 -10.819 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.098 -11.552 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.390 -11.770 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.426 -10.814 8.032 1.00 0.00 H new ATOM 209 N LYS A 13 1.853 -6.226 6.299 1.00 0.00 N ATOM 210 CA LYS A 13 2.559 -5.088 5.723 1.00 0.00 C ATOM 211 C LYS A 13 3.414 -4.362 6.753 1.00 0.00 C ATOM 212 O LYS A 13 4.429 -3.761 6.406 1.00 0.00 O ATOM 213 CB LYS A 13 1.576 -4.128 5.058 1.00 0.00 C ATOM 214 CG LYS A 13 1.477 -4.324 3.557 1.00 0.00 C ATOM 215 CD LYS A 13 2.574 -3.573 2.823 1.00 0.00 C ATOM 216 CE LYS A 13 3.897 -4.321 2.866 1.00 0.00 C ATOM 217 NZ LYS A 13 4.835 -3.731 3.860 1.00 0.00 N ATOM 0 H LYS A 13 0.887 -6.040 6.570 1.00 0.00 H new ATOM 0 HA LYS A 13 3.237 -5.477 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.590 -4.262 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.882 -3.103 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.543 -5.387 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.503 -3.980 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.277 -3.419 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.700 -2.586 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.715 -5.367 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.357 -4.303 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.532 -4.448 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.328 -2.921 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.302 -3.412 4.694 1.00 0.00 H new ATOM 231 N ALA A 14 3.024 -4.430 8.018 1.00 0.00 N ATOM 232 CA ALA A 14 3.794 -3.783 9.071 1.00 0.00 C ATOM 233 C ALA A 14 4.929 -4.688 9.544 1.00 0.00 C ATOM 234 O ALA A 14 5.732 -4.297 10.390 1.00 0.00 O ATOM 235 CB ALA A 14 2.899 -3.396 10.236 1.00 0.00 C ATOM 0 H ALA A 14 2.189 -4.921 8.338 1.00 0.00 H new ATOM 0 HA ALA A 14 4.230 -2.873 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.497 -2.915 11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.129 -2.706 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.428 -4.290 10.645 1.00 0.00 H new ATOM 241 N ASN A 15 4.984 -5.905 9.002 1.00 0.00 N ATOM 242 CA ASN A 15 6.017 -6.862 9.388 1.00 0.00 C ATOM 243 C ASN A 15 6.590 -7.614 8.194 1.00 0.00 C ATOM 244 O ASN A 15 7.358 -8.559 8.369 1.00 0.00 O ATOM 245 CB ASN A 15 5.463 -7.856 10.410 1.00 0.00 C ATOM 246 CG ASN A 15 4.996 -7.177 11.682 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.854 -6.503 11.607 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 5.653 -7.257 12.720 1.00 0.00 N flip ATOM 0 H ASN A 15 4.329 -6.248 8.299 1.00 0.00 H new ATOM 0 HA ASN A 15 6.830 -6.289 9.834 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.631 -8.403 9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.232 -8.589 10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.525 -7.786 12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.325 -6.795 13.568 1.00 0.00 H new ATOM 255 N ASN A 16 6.233 -7.200 6.984 1.00 0.00 N ATOM 256 CA ASN A 16 6.751 -7.865 5.802 1.00 0.00 C ATOM 257 C ASN A 16 8.185 -7.421 5.515 1.00 0.00 C ATOM 258 O ASN A 16 8.518 -6.247 5.661 1.00 0.00 O ATOM 259 CB ASN A 16 5.864 -7.591 4.584 1.00 0.00 C ATOM 260 CG ASN A 16 5.067 -8.810 4.162 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.452 -9.945 4.443 1.00 0.00 O ATOM 262 ND2 ASN A 16 3.950 -8.581 3.483 1.00 0.00 N ATOM 0 H ASN A 16 5.599 -6.422 6.800 1.00 0.00 H new ATOM 0 HA ASN A 16 6.748 -8.937 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.179 -6.774 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.486 -7.261 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.373 -9.362 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.669 -7.624 3.272 1.00 0.00 H new ATOM 269 N PRO A 17 9.057 -8.355 5.094 1.00 0.00 N ATOM 270 CA PRO A 17 10.455 -8.043 4.785 1.00 0.00 C ATOM 271 C PRO A 17 10.587 -6.849 3.856 1.00 0.00 C ATOM 272 O PRO A 17 11.617 -6.176 3.831 1.00 0.00 O ATOM 273 CB PRO A 17 10.986 -9.321 4.115 1.00 0.00 C ATOM 274 CG PRO A 17 9.783 -10.170 3.854 1.00 0.00 C ATOM 275 CD PRO A 17 8.758 -9.773 4.877 1.00 0.00 C ATOM 0 HA PRO A 17 11.013 -7.767 5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.510 -9.088 3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.696 -9.836 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.406 -10.011 2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.028 -11.229 3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.742 -9.922 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.855 -10.353 5.795 1.00 0.00 H new ATOM 283 N HIS A 18 9.535 -6.587 3.101 1.00 0.00 N ATOM 284 CA HIS A 18 9.522 -5.471 2.177 1.00 0.00 C ATOM 285 C HIS A 18 9.156 -4.180 2.903 1.00 0.00 C ATOM 286 O HIS A 18 9.553 -3.091 2.487 1.00 0.00 O ATOM 287 CB HIS A 18 8.530 -5.755 1.055 1.00 0.00 C ATOM 288 CG HIS A 18 9.099 -5.549 -0.314 1.00 0.00 C ATOM 289 ND1 HIS A 18 8.852 -6.401 -1.370 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.909 -4.578 -0.799 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.487 -5.965 -2.443 1.00 0.00 C ATOM 292 NE2 HIS A 18 10.135 -4.860 -2.124 1.00 0.00 N ATOM 0 H HIS A 18 8.675 -7.136 3.111 1.00 0.00 H new ATOM 0 HA HIS A 18 10.517 -5.346 1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.180 -6.783 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.660 -5.110 1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.304 -3.738 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.478 -6.433 -3.416 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.710 -4.306 -2.758 1.00 0.00 H new ATOM 301 N PHE A 19 8.408 -4.306 4.000 1.00 0.00 N ATOM 302 CA PHE A 19 8.005 -3.143 4.784 1.00 0.00 C ATOM 303 C PHE A 19 9.216 -2.268 5.085 1.00 0.00 C ATOM 304 O PHE A 19 9.126 -1.045 5.117 1.00 0.00 O ATOM 305 CB PHE A 19 7.298 -3.583 6.085 1.00 0.00 C ATOM 306 CG PHE A 19 8.157 -3.571 7.328 1.00 0.00 C ATOM 307 CD1 PHE A 19 8.648 -2.379 7.843 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.465 -4.753 7.985 1.00 0.00 C ATOM 309 CE1 PHE A 19 9.428 -2.368 8.983 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.246 -4.747 9.126 1.00 0.00 C ATOM 311 CZ PHE A 19 9.728 -3.552 9.624 1.00 0.00 C ATOM 0 H PHE A 19 8.071 -5.198 4.363 1.00 0.00 H new ATOM 0 HA PHE A 19 7.295 -2.555 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.441 -2.931 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.909 -4.591 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.417 -1.448 7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.090 -5.690 7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.803 -1.433 9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.479 -5.675 9.627 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.339 -3.545 10.514 1.00 0.00 H new ATOM 321 N ASP A 20 10.355 -2.905 5.294 1.00 0.00 N ATOM 322 CA ASP A 20 11.585 -2.180 5.583 1.00 0.00 C ATOM 323 C ASP A 20 11.731 -0.967 4.675 1.00 0.00 C ATOM 324 O ASP A 20 11.922 0.152 5.140 1.00 0.00 O ATOM 325 CB ASP A 20 12.789 -3.092 5.400 1.00 0.00 C ATOM 326 CG ASP A 20 13.068 -3.941 6.625 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.729 -3.438 7.559 1.00 0.00 O ATOM 328 OD2 ASP A 20 12.626 -5.109 6.651 1.00 0.00 O ATOM 0 H ASP A 20 10.456 -3.920 5.270 1.00 0.00 H new ATOM 0 HA ASP A 20 11.537 -1.841 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.620 -3.743 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.667 -2.487 5.174 1.00 0.00 H new ATOM 333 N LYS A 21 11.639 -1.209 3.376 1.00 0.00 N ATOM 334 CA LYS A 21 11.758 -0.146 2.386 1.00 0.00 C ATOM 335 C LYS A 21 10.399 0.460 2.055 1.00 0.00 C ATOM 336 O LYS A 21 10.216 1.677 2.112 1.00 0.00 O ATOM 337 CB LYS A 21 12.417 -0.683 1.113 1.00 0.00 C ATOM 338 CG LYS A 21 13.805 -0.114 0.860 1.00 0.00 C ATOM 339 CD LYS A 21 14.896 -1.079 1.299 1.00 0.00 C ATOM 340 CE LYS A 21 15.651 -0.555 2.511 1.00 0.00 C ATOM 341 NZ LYS A 21 17.113 -0.825 2.413 1.00 0.00 N ATOM 0 H LYS A 21 11.482 -2.136 2.980 1.00 0.00 H new ATOM 0 HA LYS A 21 12.383 0.640 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.485 -1.769 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.779 -0.455 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.920 0.107 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.915 0.829 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.453 -2.047 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.593 -1.240 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.485 0.518 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.256 -1.020 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.592 -0.453 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.273 -1.851 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.496 -0.360 1.565 1.00 0.00 H new ATOM 355 N ILE A 22 9.455 -0.397 1.693 1.00 0.00 N ATOM 356 CA ILE A 22 8.111 0.043 1.331 1.00 0.00 C ATOM 357 C ILE A 22 7.436 0.801 2.467 1.00 0.00 C ATOM 358 O ILE A 22 6.675 1.739 2.229 1.00 0.00 O ATOM 359 CB ILE A 22 7.211 -1.139 0.926 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.953 -2.081 -0.028 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.927 -0.624 0.288 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.064 -3.135 -0.658 1.00 0.00 C ATOM 0 H ILE A 22 9.594 -1.406 1.641 1.00 0.00 H new ATOM 0 HA ILE A 22 8.236 0.710 0.478 1.00 0.00 H new ATOM 0 HB ILE A 22 6.951 -1.704 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.418 -1.491 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.758 -2.575 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.297 -1.468 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.393 0.004 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.171 -0.040 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.659 -3.764 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.619 -3.750 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.274 -2.650 -1.231 1.00 0.00 H new ATOM 374 N PHE A 23 7.706 0.391 3.699 1.00 0.00 N ATOM 375 CA PHE A 23 7.105 1.044 4.857 1.00 0.00 C ATOM 376 C PHE A 23 7.909 2.267 5.274 1.00 0.00 C ATOM 377 O PHE A 23 7.338 3.293 5.637 1.00 0.00 O ATOM 378 CB PHE A 23 6.971 0.069 6.029 1.00 0.00 C ATOM 379 CG PHE A 23 5.589 0.012 6.607 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.143 0.993 7.476 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.737 -1.027 6.276 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.867 0.937 8.008 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.462 -1.089 6.802 1.00 0.00 C ATOM 384 CZ PHE A 23 3.025 -0.105 7.670 1.00 0.00 C ATOM 0 H PHE A 23 8.331 -0.383 3.923 1.00 0.00 H new ATOM 0 HA PHE A 23 6.107 1.373 4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.258 -0.928 5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.672 0.357 6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.798 1.810 7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.073 -1.798 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.530 1.707 8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.807 -1.905 6.536 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.028 -0.151 8.083 1.00 0.00 H new ATOM 394 N GLU A 24 9.233 2.164 5.215 1.00 0.00 N ATOM 395 CA GLU A 24 10.082 3.290 5.587 1.00 0.00 C ATOM 396 C GLU A 24 9.864 4.453 4.633 1.00 0.00 C ATOM 397 O GLU A 24 9.708 5.597 5.058 1.00 0.00 O ATOM 398 CB GLU A 24 11.556 2.889 5.596 1.00 0.00 C ATOM 399 CG GLU A 24 11.991 2.195 6.878 1.00 0.00 C ATOM 400 CD GLU A 24 12.381 3.174 7.967 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.525 3.671 7.937 1.00 0.00 O ATOM 402 OE2 GLU A 24 11.540 3.445 8.851 1.00 0.00 O ATOM 0 H GLU A 24 9.735 1.327 4.918 1.00 0.00 H new ATOM 0 HA GLU A 24 9.807 3.600 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.749 2.228 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.167 3.780 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.180 1.562 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.836 1.540 6.664 1.00 0.00 H new ATOM 409 N LYS A 25 9.841 4.150 3.341 1.00 0.00 N ATOM 410 CA LYS A 25 9.626 5.172 2.326 1.00 0.00 C ATOM 411 C LYS A 25 8.217 5.734 2.444 1.00 0.00 C ATOM 412 O LYS A 25 7.988 6.923 2.220 1.00 0.00 O ATOM 413 CB LYS A 25 9.847 4.592 0.926 1.00 0.00 C ATOM 414 CG LYS A 25 11.269 4.763 0.416 1.00 0.00 C ATOM 415 CD LYS A 25 12.242 3.854 1.155 1.00 0.00 C ATOM 416 CE LYS A 25 13.395 4.643 1.757 1.00 0.00 C ATOM 417 NZ LYS A 25 13.791 4.117 3.092 1.00 0.00 N ATOM 0 H LYS A 25 9.968 3.207 2.973 1.00 0.00 H new ATOM 0 HA LYS A 25 10.344 5.977 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.599 3.531 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.160 5.072 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.303 4.542 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.577 5.802 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.714 3.320 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.633 3.103 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.251 4.605 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.108 5.691 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.820 4.209 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.307 4.659 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.523 3.115 3.164 1.00 0.00 H new ATOM 431 N HIS A 26 7.277 4.870 2.811 1.00 0.00 N ATOM 432 CA HIS A 26 5.891 5.279 2.979 1.00 0.00 C ATOM 433 C HIS A 26 5.748 6.137 4.226 1.00 0.00 C ATOM 434 O HIS A 26 5.190 7.233 4.181 1.00 0.00 O ATOM 435 CB HIS A 26 4.980 4.050 3.074 1.00 0.00 C ATOM 436 CG HIS A 26 3.542 4.388 3.319 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.941 5.528 2.828 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.581 3.726 4.009 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.675 5.554 3.205 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.432 4.471 3.922 1.00 0.00 N ATOM 0 H HIS A 26 7.451 3.882 2.997 1.00 0.00 H new ATOM 0 HA HIS A 26 5.592 5.866 2.111 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.058 3.478 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.335 3.406 3.878 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.698 2.787 4.530 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.961 6.328 2.968 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.535 4.228 4.343 1.00 0.00 H new ATOM 449 N ASN A 27 6.266 5.632 5.338 1.00 0.00 N ATOM 450 CA ASN A 27 6.206 6.355 6.603 1.00 0.00 C ATOM 451 C ASN A 27 6.947 7.687 6.505 1.00 0.00 C ATOM 452 O ASN A 27 6.632 8.636 7.223 1.00 0.00 O ATOM 453 CB ASN A 27 6.796 5.510 7.736 1.00 0.00 C ATOM 454 CG ASN A 27 5.726 4.898 8.619 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.758 3.704 8.915 1.00 0.00 O ATOM 456 ND2 ASN A 27 4.772 5.717 9.047 1.00 0.00 N ATOM 0 H ASN A 27 6.732 4.726 5.391 1.00 0.00 H new ATOM 0 HA ASN A 27 5.158 6.557 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.410 4.716 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.454 6.131 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.026 5.363 9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.785 6.700 8.777 1.00 0.00 H new ATOM 463 N GLN A 28 7.931 7.754 5.610 1.00 0.00 N ATOM 464 CA GLN A 28 8.706 8.975 5.421 1.00 0.00 C ATOM 465 C GLN A 28 7.829 10.065 4.824 1.00 0.00 C ATOM 466 O GLN A 28 7.896 11.225 5.229 1.00 0.00 O ATOM 467 CB GLN A 28 9.911 8.712 4.515 1.00 0.00 C ATOM 468 CG GLN A 28 11.215 9.268 5.062 1.00 0.00 C ATOM 469 CD GLN A 28 11.217 10.782 5.139 1.00 0.00 C ATOM 470 OE1 GLN A 28 11.672 11.462 4.220 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.704 11.319 6.240 1.00 0.00 N ATOM 0 H GLN A 28 8.208 6.979 5.007 1.00 0.00 H new ATOM 0 HA GLN A 28 9.070 9.307 6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.017 7.637 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.721 9.150 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.392 8.857 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.040 8.939 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.337 10.718 6.978 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.677 12.333 6.348 1.00 0.00 H new ATOM 480 N LEU A 29 6.999 9.676 3.867 1.00 0.00 N ATOM 481 CA LEU A 29 6.095 10.610 3.218 1.00 0.00 C ATOM 482 C LEU A 29 5.088 11.139 4.224 1.00 0.00 C ATOM 483 O LEU A 29 4.971 12.346 4.428 1.00 0.00 O ATOM 484 CB LEU A 29 5.373 9.935 2.054 1.00 0.00 C ATOM 485 CG LEU A 29 4.931 10.879 0.933 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.945 10.871 -0.200 1.00 0.00 C ATOM 487 CD2 LEU A 29 3.552 10.492 0.425 1.00 0.00 C ATOM 0 H LEU A 29 6.934 8.718 3.523 1.00 0.00 H new ATOM 0 HA LEU A 29 6.677 11.444 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.029 9.175 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.495 9.418 2.441 1.00 0.00 H new ATOM 0 HG LEU A 29 4.875 11.891 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.615 11.547 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.914 11.198 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.034 9.862 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.253 11.173 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.579 9.473 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.833 10.552 1.242 1.00 0.00 H new ATOM 499 N ASP A 30 4.379 10.221 4.870 1.00 0.00 N ATOM 500 CA ASP A 30 3.396 10.593 5.879 1.00 0.00 C ATOM 501 C ASP A 30 4.063 11.414 6.977 1.00 0.00 C ATOM 502 O ASP A 30 3.410 12.191 7.674 1.00 0.00 O ATOM 503 CB ASP A 30 2.736 9.347 6.474 1.00 0.00 C ATOM 504 CG ASP A 30 1.498 9.678 7.284 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.644 10.034 8.472 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.383 9.584 6.729 1.00 0.00 O ATOM 0 H ASP A 30 4.466 9.217 4.714 1.00 0.00 H new ATOM 0 HA ASP A 30 2.622 11.197 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.468 8.662 5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.454 8.827 7.109 1.00 0.00 H new ATOM 511 N ASP A 31 5.377 11.254 7.115 1.00 0.00 N ATOM 512 CA ASP A 31 6.124 12.008 8.108 1.00 0.00 C ATOM 513 C ASP A 31 6.402 13.409 7.578 1.00 0.00 C ATOM 514 O ASP A 31 6.488 14.369 8.342 1.00 0.00 O ATOM 515 CB ASP A 31 7.435 11.300 8.454 1.00 0.00 C ATOM 516 CG ASP A 31 7.286 10.349 9.625 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.473 10.640 10.527 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.983 9.312 9.640 1.00 0.00 O ATOM 0 H ASP A 31 5.939 10.613 6.555 1.00 0.00 H new ATOM 0 HA ASP A 31 5.529 12.078 9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.787 10.747 7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.196 12.044 8.688 1.00 0.00 H new ATOM 523 N ASP A 32 6.518 13.515 6.257 1.00 0.00 N ATOM 524 CA ASP A 32 6.759 14.796 5.611 1.00 0.00 C ATOM 525 C ASP A 32 5.440 15.534 5.414 1.00 0.00 C ATOM 526 O ASP A 32 5.388 16.763 5.466 1.00 0.00 O ATOM 527 CB ASP A 32 7.457 14.594 4.264 1.00 0.00 C ATOM 528 CG ASP A 32 8.966 14.683 4.377 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.501 14.361 5.458 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.613 15.077 3.383 1.00 0.00 O ATOM 0 H ASP A 32 6.448 12.726 5.614 1.00 0.00 H new ATOM 0 HA ASP A 32 7.409 15.393 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.182 13.620 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.103 15.345 3.558 1.00 0.00 H new ATOM 535 N ILE A 33 4.371 14.769 5.202 1.00 0.00 N ATOM 536 CA ILE A 33 3.050 15.335 5.014 1.00 0.00 C ATOM 537 C ILE A 33 2.550 15.939 6.320 1.00 0.00 C ATOM 538 O ILE A 33 1.900 16.983 6.326 1.00 0.00 O ATOM 539 CB ILE A 33 2.046 14.274 4.497 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.493 13.422 5.643 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.696 13.392 3.439 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.493 12.378 5.193 1.00 0.00 C ATOM 0 H ILE A 33 4.402 13.750 5.157 1.00 0.00 H new ATOM 0 HA ILE A 33 3.125 16.118 4.260 1.00 0.00 H new ATOM 0 HB ILE A 33 1.208 14.803 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.321 12.926 6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.019 14.076 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.975 12.653 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.021 14.008 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.558 12.882 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.144 11.812 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.354 12.868 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.969 11.700 4.484 1.00 0.00 H new ATOM 554 N LYS A 34 2.878 15.280 7.432 1.00 0.00 N ATOM 555 CA LYS A 34 2.478 15.767 8.744 1.00 0.00 C ATOM 556 C LYS A 34 3.350 16.948 9.141 1.00 0.00 C ATOM 557 O LYS A 34 2.865 17.939 9.687 1.00 0.00 O ATOM 558 CB LYS A 34 2.587 14.657 9.790 1.00 0.00 C ATOM 559 CG LYS A 34 4.003 14.143 9.989 1.00 0.00 C ATOM 560 CD LYS A 34 4.070 13.116 11.109 1.00 0.00 C ATOM 561 CE LYS A 34 4.639 13.718 12.384 1.00 0.00 C ATOM 562 NZ LYS A 34 3.574 14.297 13.249 1.00 0.00 N ATOM 0 H LYS A 34 3.416 14.414 7.447 1.00 0.00 H new ATOM 0 HA LYS A 34 1.438 16.088 8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.207 15.028 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.947 13.826 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.363 13.696 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.665 14.978 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.072 12.724 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.688 12.274 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.179 12.950 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.361 14.494 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.003 14.697 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.075 15.047 12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.899 13.552 13.514 1.00 0.00 H new ATOM 576 N THR A 35 4.641 16.842 8.838 1.00 0.00 N ATOM 577 CA THR A 35 5.579 17.913 9.140 1.00 0.00 C ATOM 578 C THR A 35 5.207 19.158 8.347 1.00 0.00 C ATOM 579 O THR A 35 5.426 20.285 8.793 1.00 0.00 O ATOM 580 CB THR A 35 7.010 17.482 8.809 1.00 0.00 C ATOM 581 OG1 THR A 35 7.375 16.339 9.561 1.00 0.00 O ATOM 582 CG2 THR A 35 8.038 18.559 9.082 1.00 0.00 C ATOM 0 H THR A 35 5.058 16.028 8.386 1.00 0.00 H new ATOM 0 HA THR A 35 5.527 18.138 10.205 1.00 0.00 H new ATOM 0 HB THR A 35 7.008 17.268 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.398 15.555 8.974 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.030 18.188 8.826 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.813 19.438 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.012 18.827 10.138 1.00 0.00 H new ATOM 590 N ALA A 36 4.628 18.941 7.169 1.00 0.00 N ATOM 591 CA ALA A 36 4.204 20.037 6.311 1.00 0.00 C ATOM 592 C ALA A 36 2.794 20.488 6.676 1.00 0.00 C ATOM 593 O ALA A 36 2.428 21.644 6.469 1.00 0.00 O ATOM 594 CB ALA A 36 4.269 19.621 4.849 1.00 0.00 C ATOM 0 H ALA A 36 4.443 18.013 6.789 1.00 0.00 H new ATOM 0 HA ALA A 36 4.882 20.877 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.949 20.451 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.293 19.346 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.612 18.767 4.684 1.00 0.00 H new ATOM 600 N GLU A 37 2.006 19.567 7.229 1.00 0.00 N ATOM 601 CA GLU A 37 0.638 19.874 7.631 1.00 0.00 C ATOM 602 C GLU A 37 0.626 20.688 8.923 1.00 0.00 C ATOM 603 O GLU A 37 -0.337 21.398 9.212 1.00 0.00 O ATOM 604 CB GLU A 37 -0.162 18.582 7.821 1.00 0.00 C ATOM 605 CG GLU A 37 -1.126 18.290 6.682 1.00 0.00 C ATOM 606 CD GLU A 37 -2.290 19.260 6.638 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.159 20.317 5.986 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.333 18.962 7.257 1.00 0.00 O ATOM 0 H GLU A 37 2.292 18.605 7.408 1.00 0.00 H new ATOM 0 HA GLU A 37 0.175 20.466 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.531 17.747 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.723 18.646 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.587 18.332 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.508 17.275 6.786 1.00 0.00 H new ATOM 615 N GLN A 38 1.701 20.574 9.697 1.00 0.00 N ATOM 616 CA GLN A 38 1.817 21.293 10.961 1.00 0.00 C ATOM 617 C GLN A 38 1.644 22.795 10.761 1.00 0.00 C ATOM 618 O GLN A 38 0.938 23.453 11.526 1.00 0.00 O ATOM 619 CB GLN A 38 3.173 21.008 11.610 1.00 0.00 C ATOM 620 CG GLN A 38 3.149 19.835 12.577 1.00 0.00 C ATOM 621 CD GLN A 38 4.535 19.300 12.878 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.806 18.077 12.435 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 5.352 19.977 13.501 1.00 0.00 N flip ATOM 0 H GLN A 38 2.506 19.989 9.470 1.00 0.00 H new ATOM 0 HA GLN A 38 1.022 20.942 11.619 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.906 20.809 10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.507 21.899 12.141 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.673 20.145 13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.538 19.036 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.100 20.912 13.822 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.281 19.603 13.696 1.00 0.00 H new ATOM 632 N GLN A 39 2.292 23.337 9.733 1.00 0.00 N ATOM 633 CA GLN A 39 2.203 24.766 9.451 1.00 0.00 C ATOM 634 C GLN A 39 1.627 25.024 8.062 1.00 0.00 C ATOM 635 O GLN A 39 1.055 26.083 7.808 1.00 0.00 O ATOM 636 CB GLN A 39 3.585 25.416 9.572 1.00 0.00 C ATOM 637 CG GLN A 39 4.518 25.094 8.414 1.00 0.00 C ATOM 638 CD GLN A 39 5.362 23.859 8.671 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.025 23.751 9.702 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.340 22.921 7.731 1.00 0.00 N ATOM 0 H GLN A 39 2.880 22.812 9.086 1.00 0.00 H new ATOM 0 HA GLN A 39 1.530 25.210 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.463 26.497 9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.050 25.090 10.502 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.930 24.946 7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.173 25.946 8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.775 23.053 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.888 22.068 7.848 1.00 0.00 H new ATOM 649 N ASN A 40 1.797 24.058 7.161 1.00 0.00 N ATOM 650 CA ASN A 40 1.305 24.196 5.797 1.00 0.00 C ATOM 651 C ASN A 40 2.036 25.326 5.087 1.00 0.00 C ATOM 652 O ASN A 40 1.417 26.212 4.499 1.00 0.00 O ATOM 653 CB ASN A 40 -0.199 24.462 5.799 1.00 0.00 C ATOM 654 CG ASN A 40 -1.013 23.184 5.770 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.617 22.841 4.753 1.00 0.00 O ATOM 656 ND2 ASN A 40 -1.033 22.471 6.890 1.00 0.00 N ATOM 0 H ASN A 40 2.270 23.175 7.353 1.00 0.00 H new ATOM 0 HA ASN A 40 1.494 23.265 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.462 25.037 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.458 25.074 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.564 21.601 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.518 22.793 7.709 1.00 0.00 H new ATOM 663 N ALA A 41 3.365 25.286 5.150 1.00 0.00 N ATOM 664 CA ALA A 41 4.202 26.303 4.517 1.00 0.00 C ATOM 665 C ALA A 41 3.696 26.649 3.118 1.00 0.00 C ATOM 666 O ALA A 41 3.861 27.776 2.649 1.00 0.00 O ATOM 667 CB ALA A 41 5.647 25.831 4.456 1.00 0.00 C ATOM 0 H ALA A 41 3.888 24.557 5.635 1.00 0.00 H new ATOM 0 HA ALA A 41 4.149 27.207 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.260 26.597 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.013 25.647 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.705 24.910 3.876 1.00 0.00 H new ATOM 673 N SER A 42 3.079 25.674 2.461 1.00 0.00 N ATOM 674 CA SER A 42 2.545 25.875 1.120 1.00 0.00 C ATOM 675 C SER A 42 1.458 24.851 0.809 1.00 0.00 C ATOM 676 O SER A 42 1.728 23.653 0.715 1.00 0.00 O ATOM 677 CB SER A 42 3.668 25.784 0.085 1.00 0.00 C ATOM 678 OG SER A 42 3.157 25.480 -1.202 1.00 0.00 O ATOM 0 H SER A 42 2.936 24.736 2.836 1.00 0.00 H new ATOM 0 HA SER A 42 2.101 26.869 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.211 26.729 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.382 25.017 0.386 1.00 0.00 H new ATOM 0 HG SER A 42 3.896 25.429 -1.844 1.00 0.00 H new ATOM 684 N ASP A 43 0.227 25.330 0.647 1.00 0.00 N ATOM 685 CA ASP A 43 -0.906 24.462 0.342 1.00 0.00 C ATOM 686 C ASP A 43 -0.564 23.512 -0.796 1.00 0.00 C ATOM 687 O ASP A 43 -0.731 22.298 -0.680 1.00 0.00 O ATOM 688 CB ASP A 43 -2.135 25.297 -0.024 1.00 0.00 C ATOM 689 CG ASP A 43 -3.013 25.591 1.176 1.00 0.00 C ATOM 690 OD1 ASP A 43 -2.462 25.917 2.248 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.251 25.496 1.044 1.00 0.00 O ATOM 0 H ASP A 43 -0.011 26.319 0.722 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.132 23.873 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.812 26.236 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.719 24.768 -0.777 1.00 0.00 H new ATOM 696 N ALA A 44 -0.068 24.074 -1.890 1.00 0.00 N ATOM 697 CA ALA A 44 0.319 23.280 -3.046 1.00 0.00 C ATOM 698 C ALA A 44 1.393 22.270 -2.657 1.00 0.00 C ATOM 699 O ALA A 44 1.522 21.213 -3.271 1.00 0.00 O ATOM 700 CB ALA A 44 0.814 24.180 -4.169 1.00 0.00 C ATOM 0 H ALA A 44 0.076 25.078 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.556 22.736 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.099 23.569 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.020 24.867 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.678 24.749 -3.825 1.00 0.00 H new ATOM 706 N GLU A 45 2.158 22.607 -1.620 1.00 0.00 N ATOM 707 CA GLU A 45 3.217 21.736 -1.131 1.00 0.00 C ATOM 708 C GLU A 45 2.641 20.629 -0.262 1.00 0.00 C ATOM 709 O GLU A 45 3.037 19.469 -0.371 1.00 0.00 O ATOM 710 CB GLU A 45 4.241 22.542 -0.331 1.00 0.00 C ATOM 711 CG GLU A 45 5.571 21.828 -0.152 1.00 0.00 C ATOM 712 CD GLU A 45 6.290 21.595 -1.466 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.782 22.580 -2.056 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.361 20.429 -1.906 1.00 0.00 O ATOM 0 H GLU A 45 2.061 23.481 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 45 3.712 21.285 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.414 23.494 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.825 22.770 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.209 22.416 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.401 20.870 0.340 1.00 0.00 H new ATOM 721 N VAL A 46 1.701 20.996 0.599 1.00 0.00 N ATOM 722 CA VAL A 46 1.069 20.029 1.487 1.00 0.00 C ATOM 723 C VAL A 46 0.030 19.199 0.740 1.00 0.00 C ATOM 724 O VAL A 46 -0.298 18.085 1.150 1.00 0.00 O ATOM 725 CB VAL A 46 0.395 20.712 2.692 1.00 0.00 C ATOM 726 CG1 VAL A 46 0.022 19.678 3.745 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.303 21.782 3.281 1.00 0.00 C ATOM 0 H VAL A 46 1.360 21.952 0.701 1.00 0.00 H new ATOM 0 HA VAL A 46 1.862 19.377 1.854 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.518 21.198 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.453 20.175 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.669 18.953 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.921 19.164 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.808 22.252 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.236 21.326 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.516 22.536 2.523 1.00 0.00 H new ATOM 737 N SER A 47 -0.484 19.744 -0.359 1.00 0.00 N ATOM 738 CA SER A 47 -1.482 19.047 -1.160 1.00 0.00 C ATOM 739 C SER A 47 -0.822 18.138 -2.185 1.00 0.00 C ATOM 740 O SER A 47 -1.409 17.150 -2.624 1.00 0.00 O ATOM 741 CB SER A 47 -2.401 20.049 -1.861 1.00 0.00 C ATOM 742 OG SER A 47 -3.653 19.460 -2.175 1.00 0.00 O ATOM 0 H SER A 47 -0.226 20.665 -0.714 1.00 0.00 H new ATOM 0 HA SER A 47 -2.079 18.430 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.554 20.917 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.925 20.407 -2.774 1.00 0.00 H new ATOM 0 HG SER A 47 -4.223 20.121 -2.621 1.00 0.00 H new ATOM 748 N HIS A 48 0.404 18.473 -2.556 1.00 0.00 N ATOM 749 CA HIS A 48 1.147 17.683 -3.521 1.00 0.00 C ATOM 750 C HIS A 48 1.826 16.503 -2.836 1.00 0.00 C ATOM 751 O HIS A 48 2.047 15.458 -3.448 1.00 0.00 O ATOM 752 CB HIS A 48 2.180 18.559 -4.216 1.00 0.00 C ATOM 753 CG HIS A 48 2.856 17.891 -5.372 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.084 18.285 -5.857 1.00 0.00 N ATOM 755 CD2 HIS A 48 2.468 16.845 -6.142 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.423 17.515 -6.876 1.00 0.00 C ATOM 757 NE2 HIS A 48 3.460 16.633 -7.067 1.00 0.00 N ATOM 0 H HIS A 48 0.905 19.288 -2.202 1.00 0.00 H new ATOM 0 HA HIS A 48 0.454 17.292 -4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.694 19.469 -4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.935 18.861 -3.490 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.550 16.284 -6.046 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.332 17.594 -7.453 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.454 15.910 -7.786 1.00 0.00 H new ATOM 766 N MET A 49 2.148 16.677 -1.557 1.00 0.00 N ATOM 767 CA MET A 49 2.794 15.625 -0.785 1.00 0.00 C ATOM 768 C MET A 49 1.803 14.516 -0.463 1.00 0.00 C ATOM 769 O MET A 49 2.161 13.340 -0.437 1.00 0.00 O ATOM 770 CB MET A 49 3.382 16.194 0.507 1.00 0.00 C ATOM 771 CG MET A 49 4.678 16.961 0.300 1.00 0.00 C ATOM 772 SD MET A 49 6.122 16.063 0.901 1.00 0.00 S ATOM 773 CE MET A 49 7.359 16.576 -0.288 1.00 0.00 C ATOM 0 H MET A 49 1.972 17.536 -1.036 1.00 0.00 H new ATOM 0 HA MET A 49 3.603 15.208 -1.384 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.649 16.854 0.970 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.561 15.377 1.206 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.804 17.174 -0.762 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.613 17.921 0.812 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.311 16.103 -0.049 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.047 16.279 -1.289 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.473 17.659 -0.250 1.00 0.00 H new ATOM 783 N LYS A 50 0.551 14.896 -0.229 1.00 0.00 N ATOM 784 CA LYS A 50 -0.484 13.919 0.077 1.00 0.00 C ATOM 785 C LYS A 50 -0.784 13.073 -1.147 1.00 0.00 C ATOM 786 O LYS A 50 -1.049 11.876 -1.035 1.00 0.00 O ATOM 787 CB LYS A 50 -1.758 14.599 0.552 1.00 0.00 C ATOM 788 CG LYS A 50 -1.566 15.466 1.787 1.00 0.00 C ATOM 789 CD LYS A 50 -2.650 16.526 1.899 1.00 0.00 C ATOM 790 CE LYS A 50 -3.699 16.143 2.930 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.664 17.250 3.180 1.00 0.00 N ATOM 0 H LYS A 50 0.232 15.865 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.114 13.280 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.153 15.215 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.507 13.837 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.576 14.839 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.589 15.947 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.200 17.480 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.126 16.665 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.240 15.261 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.207 15.872 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.363 16.948 3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.152 18.084 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.152 17.492 2.294 1.00 0.00 H new ATOM 805 N LYS A 51 -0.722 13.691 -2.323 1.00 0.00 N ATOM 806 CA LYS A 51 -0.969 12.970 -3.564 1.00 0.00 C ATOM 807 C LYS A 51 -0.031 11.775 -3.650 1.00 0.00 C ATOM 808 O LYS A 51 -0.369 10.741 -4.227 1.00 0.00 O ATOM 809 CB LYS A 51 -0.776 13.891 -4.772 1.00 0.00 C ATOM 810 CG LYS A 51 -1.982 13.942 -5.697 1.00 0.00 C ATOM 811 CD LYS A 51 -1.654 14.652 -7.001 1.00 0.00 C ATOM 812 CE LYS A 51 -1.508 13.669 -8.153 1.00 0.00 C ATOM 813 NZ LYS A 51 -2.629 13.784 -9.127 1.00 0.00 N ATOM 0 H LYS A 51 -0.505 14.681 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.001 12.618 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.557 14.899 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.092 13.556 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.322 12.928 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.803 14.456 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.440 15.370 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.729 15.218 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.562 13.848 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.471 12.653 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.492 13.098 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.529 13.589 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.649 14.746 -9.521 1.00 0.00 H new ATOM 827 N GLN A 52 1.143 11.921 -3.043 1.00 0.00 N ATOM 828 CA GLN A 52 2.129 10.853 -3.018 1.00 0.00 C ATOM 829 C GLN A 52 1.797 9.861 -1.906 1.00 0.00 C ATOM 830 O GLN A 52 2.273 8.727 -1.914 1.00 0.00 O ATOM 831 CB GLN A 52 3.532 11.427 -2.814 1.00 0.00 C ATOM 832 CG GLN A 52 4.221 11.826 -4.109 1.00 0.00 C ATOM 833 CD GLN A 52 3.376 12.755 -4.959 1.00 0.00 C ATOM 834 OE1 GLN A 52 2.252 12.420 -5.335 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.914 13.929 -5.266 1.00 0.00 N ATOM 0 H GLN A 52 1.432 12.772 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 52 2.105 10.332 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.468 12.299 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.146 10.689 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.168 12.313 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.456 10.929 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.849 14.164 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.393 14.596 -5.835 1.00 0.00 H new ATOM 844 N LYS A 53 0.969 10.294 -0.951 1.00 0.00 N ATOM 845 CA LYS A 53 0.565 9.440 0.158 1.00 0.00 C ATOM 846 C LYS A 53 -0.212 8.238 -0.351 1.00 0.00 C ATOM 847 O LYS A 53 0.212 7.093 -0.196 1.00 0.00 O ATOM 848 CB LYS A 53 -0.301 10.228 1.135 1.00 0.00 C ATOM 849 CG LYS A 53 -0.309 9.655 2.543 1.00 0.00 C ATOM 850 CD LYS A 53 -1.448 8.667 2.734 1.00 0.00 C ATOM 851 CE LYS A 53 -1.352 7.959 4.075 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.695 7.659 4.642 1.00 0.00 N ATOM 0 H LYS A 53 0.568 11.232 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 53 1.463 9.091 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.055 11.258 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.323 10.258 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.641 9.159 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.403 10.465 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.401 9.191 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.431 7.931 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.793 7.031 3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.793 8.581 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.635 6.817 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.023 8.470 5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.366 7.480 3.868 1.00 0.00 H new ATOM 866 N LEU A 54 -1.351 8.516 -0.973 1.00 0.00 N ATOM 867 CA LEU A 54 -2.196 7.469 -1.526 1.00 0.00 C ATOM 868 C LEU A 54 -1.408 6.647 -2.533 1.00 0.00 C ATOM 869 O LEU A 54 -1.717 5.480 -2.781 1.00 0.00 O ATOM 870 CB LEU A 54 -3.431 8.075 -2.196 1.00 0.00 C ATOM 871 CG LEU A 54 -4.420 7.058 -2.769 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.582 6.844 -1.811 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.925 7.513 -4.131 1.00 0.00 C ATOM 0 H LEU A 54 -1.710 9.461 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.525 6.821 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.953 8.696 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.103 8.734 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.901 6.108 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.275 6.118 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.205 6.472 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.101 7.789 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.627 6.777 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.426 8.476 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.083 7.612 -4.816 1.00 0.00 H new ATOM 885 N LYS A 55 -0.373 7.261 -3.098 1.00 0.00 N ATOM 886 CA LYS A 55 0.477 6.581 -4.061 1.00 0.00 C ATOM 887 C LYS A 55 1.440 5.670 -3.330 1.00 0.00 C ATOM 888 O LYS A 55 1.583 4.495 -3.668 1.00 0.00 O ATOM 889 CB LYS A 55 1.239 7.588 -4.924 1.00 0.00 C ATOM 890 CG LYS A 55 0.523 7.944 -6.218 1.00 0.00 C ATOM 891 CD LYS A 55 1.401 7.689 -7.433 1.00 0.00 C ATOM 892 CE LYS A 55 1.050 6.371 -8.106 1.00 0.00 C ATOM 893 NZ LYS A 55 1.253 6.429 -9.581 1.00 0.00 N ATOM 0 H LYS A 55 -0.106 8.226 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.149 5.983 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.403 8.498 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.221 7.180 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.392 7.358 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.229 8.993 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.284 8.505 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.448 7.677 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.664 5.574 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.011 6.119 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.003 5.512 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.648 7.172 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.250 6.644 -9.786 1.00 0.00 H new ATOM 907 N LEU A 56 2.067 6.207 -2.294 1.00 0.00 N ATOM 908 CA LEU A 56 2.974 5.424 -1.482 1.00 0.00 C ATOM 909 C LEU A 56 2.169 4.454 -0.628 1.00 0.00 C ATOM 910 O LEU A 56 2.725 3.549 -0.004 1.00 0.00 O ATOM 911 CB LEU A 56 3.839 6.332 -0.602 1.00 0.00 C ATOM 912 CG LEU A 56 5.281 6.510 -1.079 1.00 0.00 C ATOM 913 CD1 LEU A 56 5.314 6.928 -2.542 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.003 7.532 -0.217 1.00 0.00 C ATOM 0 H LEU A 56 1.962 7.178 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 56 3.643 4.861 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.367 7.313 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.854 5.925 0.409 1.00 0.00 H new ATOM 0 HG LEU A 56 5.795 5.553 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.349 7.050 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.833 6.162 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.784 7.873 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.028 7.647 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.488 8.491 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.012 7.193 0.819 1.00 0.00 H new ATOM 926 N LYS A 57 0.845 4.629 -0.628 1.00 0.00 N ATOM 927 CA LYS A 57 -0.032 3.742 0.119 1.00 0.00 C ATOM 928 C LYS A 57 -0.392 2.551 -0.755 1.00 0.00 C ATOM 929 O LYS A 57 -0.600 1.442 -0.267 1.00 0.00 O ATOM 930 CB LYS A 57 -1.303 4.469 0.564 1.00 0.00 C ATOM 931 CG LYS A 57 -2.365 3.542 1.142 1.00 0.00 C ATOM 932 CD LYS A 57 -3.735 4.203 1.153 1.00 0.00 C ATOM 933 CE LYS A 57 -3.956 5.005 2.426 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.365 5.475 2.548 1.00 0.00 N ATOM 0 H LYS A 57 0.365 5.373 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 57 0.489 3.403 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.041 5.218 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.723 5.003 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.407 2.624 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.088 3.258 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.831 4.858 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.509 3.441 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.702 4.392 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.285 5.864 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.475 6.018 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.600 6.081 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.004 4.655 2.565 1.00 0.00 H new ATOM 948 N ASP A 58 -0.455 2.798 -2.059 1.00 0.00 N ATOM 949 CA ASP A 58 -0.780 1.761 -3.020 1.00 0.00 C ATOM 950 C ASP A 58 0.215 0.616 -2.926 1.00 0.00 C ATOM 951 O ASP A 58 -0.148 -0.537 -3.109 1.00 0.00 O ATOM 952 CB ASP A 58 -0.790 2.332 -4.439 1.00 0.00 C ATOM 953 CG ASP A 58 -2.068 3.085 -4.750 1.00 0.00 C ATOM 954 OD1 ASP A 58 -3.154 2.591 -4.379 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.984 4.169 -5.365 1.00 0.00 O ATOM 0 H ASP A 58 -0.283 3.715 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.774 1.379 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.062 3.000 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.667 1.520 -5.155 1.00 0.00 H new ATOM 960 N GLU A 59 1.472 0.940 -2.636 1.00 0.00 N ATOM 961 CA GLU A 59 2.507 -0.082 -2.517 1.00 0.00 C ATOM 962 C GLU A 59 2.290 -0.935 -1.274 1.00 0.00 C ATOM 963 O GLU A 59 2.444 -2.155 -1.310 1.00 0.00 O ATOM 964 CB GLU A 59 3.895 0.555 -2.474 1.00 0.00 C ATOM 965 CG GLU A 59 4.012 1.708 -1.492 1.00 0.00 C ATOM 966 CD GLU A 59 5.449 2.143 -1.274 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.297 1.842 -2.139 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.724 2.785 -0.238 1.00 0.00 O ATOM 0 H GLU A 59 1.797 1.894 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 59 2.442 -0.724 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.627 -0.209 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.151 0.912 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.432 2.554 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.576 1.413 -0.537 1.00 0.00 H new ATOM 975 N ILE A 60 1.915 -0.286 -0.178 1.00 0.00 N ATOM 976 CA ILE A 60 1.659 -0.984 1.071 1.00 0.00 C ATOM 977 C ILE A 60 0.325 -1.705 0.981 1.00 0.00 C ATOM 978 O ILE A 60 0.182 -2.833 1.443 1.00 0.00 O ATOM 979 CB ILE A 60 1.651 -0.016 2.279 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.066 0.504 2.552 1.00 0.00 C ATOM 981 CG2 ILE A 60 1.080 -0.692 3.525 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.984 -0.522 3.185 1.00 0.00 C ATOM 0 H ILE A 60 1.782 0.724 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 60 2.464 -1.702 1.228 1.00 0.00 H new ATOM 0 HB ILE A 60 1.007 0.828 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.506 0.841 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.003 1.374 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.087 0.012 4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.056 -1.011 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.688 -1.560 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.967 -0.080 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.568 -0.842 4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.079 -1.383 2.523 1.00 0.00 H new ATOM 994 N HIS A 61 -0.644 -1.046 0.360 1.00 0.00 N ATOM 995 CA HIS A 61 -1.965 -1.632 0.187 1.00 0.00 C ATOM 996 C HIS A 61 -1.899 -2.733 -0.854 1.00 0.00 C ATOM 997 O HIS A 61 -2.527 -3.781 -0.708 1.00 0.00 O ATOM 998 CB HIS A 61 -2.976 -0.563 -0.232 1.00 0.00 C ATOM 999 CG HIS A 61 -4.383 -0.876 0.176 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.006 -0.275 1.249 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.291 -1.729 -0.355 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.234 -0.747 1.363 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.433 -1.629 0.401 1.00 0.00 N ATOM 0 H HIS A 61 -0.540 -0.109 -0.031 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.293 -2.056 1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.684 0.392 0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.938 -0.444 -1.315 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.144 -2.368 -1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.954 -0.460 2.116 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.295 -2.151 0.245 1.00 0.00 H new ATOM 1012 N SER A 62 -1.115 -2.495 -1.901 1.00 0.00 N ATOM 1013 CA SER A 62 -0.948 -3.479 -2.961 1.00 0.00 C ATOM 1014 C SER A 62 -0.352 -4.758 -2.400 1.00 0.00 C ATOM 1015 O SER A 62 -0.696 -5.855 -2.840 1.00 0.00 O ATOM 1016 CB SER A 62 -0.055 -2.944 -4.082 1.00 0.00 C ATOM 1017 OG SER A 62 -0.768 -2.058 -4.927 1.00 0.00 O ATOM 0 H SER A 62 -0.588 -1.632 -2.037 1.00 0.00 H new ATOM 0 HA SER A 62 -1.933 -3.689 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.803 -2.428 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.334 -3.776 -4.669 1.00 0.00 H new ATOM 0 HG SER A 62 -0.782 -1.164 -4.526 1.00 0.00 H new ATOM 1023 N MET A 63 0.544 -4.623 -1.419 1.00 0.00 N ATOM 1024 CA MET A 63 1.165 -5.798 -0.817 1.00 0.00 C ATOM 1025 C MET A 63 0.099 -6.774 -0.329 1.00 0.00 C ATOM 1026 O MET A 63 0.210 -7.982 -0.538 1.00 0.00 O ATOM 1027 CB MET A 63 2.088 -5.404 0.334 1.00 0.00 C ATOM 1028 CG MET A 63 3.187 -6.420 0.597 1.00 0.00 C ATOM 1029 SD MET A 63 4.763 -5.948 -0.141 1.00 0.00 S ATOM 1030 CE MET A 63 5.814 -7.281 0.429 1.00 0.00 C ATOM 0 H MET A 63 0.849 -3.729 -1.033 1.00 0.00 H new ATOM 0 HA MET A 63 1.767 -6.288 -1.582 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.541 -4.438 0.113 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.495 -5.278 1.240 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.316 -6.540 1.673 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.882 -7.389 0.203 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.691 -7.354 -0.215 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.131 -7.082 1.453 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.261 -8.220 0.397 1.00 0.00 H new ATOM 1040 N ILE A 64 -0.944 -6.245 0.305 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.032 -7.081 0.795 1.00 0.00 C ATOM 1042 C ILE A 64 -2.796 -7.675 -0.380 1.00 0.00 C ATOM 1043 O ILE A 64 -3.217 -8.832 -0.340 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.000 -6.289 1.693 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.285 -5.835 2.967 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.229 -7.122 2.038 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -1.985 -4.354 2.988 1.00 0.00 C ATOM 0 H ILE A 64 -1.057 -5.248 0.490 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.593 -7.878 1.395 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.334 -5.408 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.901 -6.086 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.352 -6.389 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.897 -6.540 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.750 -7.399 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.921 -8.024 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.478 -4.099 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.344 -4.101 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.917 -3.793 2.917 1.00 0.00 H new ATOM 1059 N ILE A 65 -2.953 -6.882 -1.437 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.643 -7.341 -2.635 1.00 0.00 C ATOM 1061 C ILE A 65 -2.967 -8.595 -3.166 1.00 0.00 C ATOM 1062 O ILE A 65 -3.624 -9.588 -3.478 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.642 -6.266 -3.738 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.227 -4.954 -3.212 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.420 -6.748 -4.955 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.614 -5.102 -2.620 1.00 0.00 C ATOM 0 H ILE A 65 -2.612 -5.922 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.677 -7.553 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.610 -6.085 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.559 -4.546 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.264 -4.230 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.408 -5.975 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.959 -7.655 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.450 -6.959 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.965 -4.132 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.296 -5.480 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.580 -5.801 -1.784 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.640 -8.545 -3.242 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.864 -9.681 -3.707 1.00 0.00 C ATOM 1080 C GLU A 66 -0.852 -10.775 -2.644 1.00 0.00 C ATOM 1081 O GLU A 66 -0.572 -11.937 -2.937 1.00 0.00 O ATOM 1082 CB GLU A 66 0.567 -9.252 -4.039 1.00 0.00 C ATOM 1083 CG GLU A 66 0.804 -9.020 -5.523 1.00 0.00 C ATOM 1084 CD GLU A 66 1.130 -10.300 -6.267 1.00 0.00 C ATOM 1085 OE1 GLU A 66 0.191 -11.062 -6.576 1.00 0.00 O ATOM 1086 OE2 GLU A 66 2.324 -10.538 -6.542 1.00 0.00 O ATOM 0 H GLU A 66 -1.084 -7.729 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.327 -10.072 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.798 -8.336 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.258 -10.017 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.083 -8.564 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.622 -8.311 -5.650 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.166 -10.392 -1.404 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.198 -11.342 -0.301 1.00 0.00 C ATOM 1095 C TYR A 67 -2.510 -12.114 -0.295 1.00 0.00 C ATOM 1096 O TYR A 67 -2.533 -13.321 -0.057 1.00 0.00 O ATOM 1097 CB TYR A 67 -1.015 -10.616 1.033 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.115 -11.346 2.005 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.610 -12.369 2.805 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.228 -11.012 2.123 1.00 0.00 C ATOM 1101 CE1 TYR A 67 0.209 -13.038 3.695 1.00 0.00 C ATOM 1102 CE2 TYR A 67 2.053 -11.676 3.010 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.538 -12.688 3.793 1.00 0.00 C ATOM 1104 OH TYR A 67 2.357 -13.352 4.677 1.00 0.00 O ATOM 0 H TYR A 67 -1.400 -9.434 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.378 -12.048 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.602 -9.625 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.992 -10.471 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.651 -12.646 2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.634 -10.220 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.191 -13.831 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.095 -11.404 3.090 1.00 0.00 H new ATOM 0 HH TYR A 67 3.264 -12.985 4.622 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.601 -11.406 -0.560 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.924 -12.018 -0.590 1.00 0.00 C ATOM 1116 C ARG A 68 -5.127 -12.815 -1.875 1.00 0.00 C ATOM 1117 O ARG A 68 -5.930 -13.748 -1.918 1.00 0.00 O ATOM 1118 CB ARG A 68 -6.007 -10.946 -0.464 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.979 -9.916 -1.582 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.209 -9.024 -1.549 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.310 -8.185 -2.741 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.410 -7.522 -3.091 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -9.504 -7.599 -2.344 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -8.416 -6.781 -4.190 1.00 0.00 N ATOM 0 H ARG A 68 -3.596 -10.405 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.000 -12.702 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.984 -11.429 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.891 -10.435 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.082 -9.304 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.922 -10.424 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.103 -9.642 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.174 -8.391 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.489 -8.102 -3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.505 -8.168 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.344 -7.089 -2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.578 -6.719 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.259 -6.273 -4.458 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.397 -12.442 -2.921 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.498 -13.122 -4.208 1.00 0.00 C ATOM 1140 C GLU A 69 -3.594 -14.351 -4.253 1.00 0.00 C ATOM 1141 O GLU A 69 -3.820 -15.264 -5.043 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.137 -12.167 -5.345 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.931 -12.410 -6.619 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.408 -11.606 -7.794 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.415 -10.359 -7.711 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -3.991 -12.223 -8.797 1.00 0.00 O ATOM 0 H GLU A 69 -3.728 -11.672 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.530 -13.450 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.302 -11.142 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.074 -12.263 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.898 -13.471 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.976 -12.155 -6.445 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.582 -14.374 -3.393 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.663 -15.495 -3.324 1.00 0.00 C ATOM 1155 C LYS A 70 -2.179 -16.506 -2.318 1.00 0.00 C ATOM 1156 O LYS A 70 -2.068 -17.711 -2.518 1.00 0.00 O ATOM 1157 CB LYS A 70 -0.260 -15.025 -2.931 1.00 0.00 C ATOM 1158 CG LYS A 70 -0.179 -14.456 -1.525 1.00 0.00 C ATOM 1159 CD LYS A 70 1.241 -14.038 -1.175 1.00 0.00 C ATOM 1160 CE LYS A 70 2.008 -15.175 -0.519 1.00 0.00 C ATOM 1161 NZ LYS A 70 1.701 -15.286 0.933 1.00 0.00 N ATOM 0 H LYS A 70 -2.380 -13.623 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.599 -15.960 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.431 -15.864 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.072 -14.267 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.844 -13.597 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.527 -15.201 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.761 -13.720 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.214 -13.180 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.761 -16.114 -1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.078 -15.016 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.244 -16.073 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.960 -14.400 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.684 -15.463 1.060 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.764 -15.999 -1.240 1.00 0.00 N ATOM 1176 CA GLN A 71 -3.319 -16.859 -0.210 1.00 0.00 C ATOM 1177 C GLN A 71 -4.604 -17.501 -0.705 1.00 0.00 C ATOM 1178 O GLN A 71 -4.953 -18.603 -0.296 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.582 -16.067 1.074 1.00 0.00 C ATOM 1180 CG GLN A 71 -2.524 -16.274 2.144 1.00 0.00 C ATOM 1181 CD GLN A 71 -3.024 -17.116 3.302 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -4.126 -16.905 3.808 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -2.213 -18.077 3.729 1.00 0.00 N ATOM 0 H GLN A 71 -2.865 -15.000 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.595 -17.642 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.638 -15.006 0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.554 -16.354 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.652 -16.754 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.197 -15.304 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.308 -18.217 3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.495 -18.675 4.506 1.00 0.00 H new ATOM 1192 N LYS A 72 -5.301 -16.818 -1.602 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.534 -17.362 -2.149 1.00 0.00 C ATOM 1194 C LYS A 72 -6.236 -18.177 -3.396 1.00 0.00 C ATOM 1195 O LYS A 72 -6.943 -19.131 -3.714 1.00 0.00 O ATOM 1196 CB LYS A 72 -7.535 -16.249 -2.460 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.257 -15.718 -1.232 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.922 -14.380 -1.511 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.944 -14.485 -2.634 1.00 0.00 C ATOM 1200 NZ LYS A 72 -9.626 -13.564 -3.760 1.00 0.00 N ATOM 0 H LYS A 72 -5.039 -15.900 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.983 -18.015 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.011 -15.426 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.272 -16.623 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.009 -16.439 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.548 -15.609 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.411 -14.021 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.163 -13.644 -1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.976 -15.511 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.936 -14.255 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.345 -13.665 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.620 -12.583 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.690 -13.800 -4.148 1.00 0.00 H new ATOM 1214 N SER A 73 -5.167 -17.817 -4.085 1.00 0.00 N ATOM 1215 CA SER A 73 -4.762 -18.541 -5.272 1.00 0.00 C ATOM 1216 C SER A 73 -3.940 -19.748 -4.859 1.00 0.00 C ATOM 1217 O SER A 73 -4.013 -20.810 -5.477 1.00 0.00 O ATOM 1218 CB SER A 73 -3.945 -17.645 -6.193 1.00 0.00 C ATOM 1219 OG SER A 73 -3.538 -18.341 -7.358 1.00 0.00 O ATOM 0 H SER A 73 -4.567 -17.029 -3.842 1.00 0.00 H new ATOM 0 HA SER A 73 -5.650 -18.867 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.536 -16.774 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.068 -17.277 -5.661 1.00 0.00 H new ATOM 0 HG SER A 73 -3.017 -17.742 -7.932 1.00 0.00 H new ATOM 1225 N GLU A 74 -3.157 -19.575 -3.795 1.00 0.00 N ATOM 1226 CA GLU A 74 -2.324 -20.656 -3.289 1.00 0.00 C ATOM 1227 C GLU A 74 -3.070 -21.486 -2.246 1.00 0.00 C ATOM 1228 O GLU A 74 -3.020 -22.715 -2.278 1.00 0.00 O ATOM 1229 CB GLU A 74 -1.029 -20.106 -2.687 1.00 0.00 C ATOM 1230 CG GLU A 74 0.038 -21.165 -2.468 1.00 0.00 C ATOM 1231 CD GLU A 74 1.271 -20.617 -1.777 1.00 0.00 C ATOM 1232 OE1 GLU A 74 2.148 -20.067 -2.478 1.00 0.00 O ATOM 1233 OE2 GLU A 74 1.362 -20.737 -0.538 1.00 0.00 O ATOM 0 H GLU A 74 -3.085 -18.702 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.076 -21.302 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.632 -19.333 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.256 -19.628 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.378 -21.976 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.324 -21.591 -3.430 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.762 -20.820 -1.319 1.00 0.00 N ATOM 1241 CA ARG A 75 -4.504 -21.531 -0.285 1.00 0.00 C ATOM 1242 C ARG A 75 -5.940 -21.792 -0.720 1.00 0.00 C ATOM 1243 O ARG A 75 -6.537 -22.800 -0.342 1.00 0.00 O ATOM 1244 CB ARG A 75 -4.477 -20.757 1.036 1.00 0.00 C ATOM 1245 CG ARG A 75 -4.076 -21.608 2.230 1.00 0.00 C ATOM 1246 CD ARG A 75 -5.189 -22.559 2.641 1.00 0.00 C ATOM 1247 NE ARG A 75 -5.696 -22.262 3.979 1.00 0.00 N ATOM 1248 CZ ARG A 75 -4.961 -22.344 5.086 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -3.690 -22.722 5.023 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -5.500 -22.048 6.261 1.00 0.00 N ATOM 0 H ARG A 75 -3.822 -19.803 -1.266 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.016 -22.493 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.782 -19.923 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.464 -20.331 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.181 -22.180 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.822 -20.961 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.005 -22.495 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.819 -23.584 2.613 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.671 -21.975 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.270 -22.952 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.133 -22.782 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.476 -21.758 6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.938 -22.110 7.110 1.00 0.00 H new ATOM 1264 N ALA A 76 -6.495 -20.876 -1.514 1.00 0.00 N ATOM 1265 CA ALA A 76 -7.871 -21.015 -1.994 1.00 0.00 C ATOM 1266 C ALA A 76 -8.816 -21.438 -0.872 1.00 0.00 C ATOM 1267 O ALA A 76 -9.920 -21.930 -1.185 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.929 -22.013 -3.140 1.00 0.00 C ATOM 1269 OXT ALA A 76 -8.442 -21.275 0.309 1.00 0.00 O ATOM 0 H ALA A 76 -6.017 -20.035 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.200 -20.040 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.958 -22.108 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.299 -21.664 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.572 -22.984 -2.796 1.00 0.00 H new