USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.873 USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= -0.438 F(o=-1.3,f=-0.09) USER MOD Set 2.2: A 6 SER OG : rot -80:sc= 0.349 USER MOD Single : A 8 SER OG : rot -25:sc= 0.244 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot -26:sc= 0.0151 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 34 ASN : amide:sc= -3.34! C(o=-3.3!,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0.969 (180deg=0.848) USER MOD Single : A 44 THR OG1 : rot -89:sc= 1.3 USER MOD Single : A 46 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-4.6) USER MOD Single : A 50 SER OG : rot -88:sc= 1.12 USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.612 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 138:sc= 1.29 (180deg=1.07) USER MOD Single : A 78 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= 1.21 (180deg=0.372) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.18) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.561 F(o=-1.2,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.063 7.811 -9.240 1.00 0.00 N ATOM 2 CA GLU A 2 12.263 9.000 -8.948 1.00 0.00 C ATOM 3 C GLU A 2 11.930 9.007 -7.476 1.00 0.00 C ATOM 4 O GLU A 2 12.044 7.974 -6.819 1.00 0.00 O ATOM 5 CB GLU A 2 10.981 9.008 -9.793 1.00 0.00 C ATOM 6 CG GLU A 2 10.020 7.878 -9.484 1.00 0.00 C ATOM 7 CD GLU A 2 8.878 7.819 -10.452 1.00 0.00 C ATOM 8 OE1 GLU A 2 9.039 7.232 -11.539 1.00 0.00 O ATOM 9 OE2 GLU A 2 7.805 8.351 -10.164 1.00 0.00 O ATOM 0 HA GLU A 2 12.830 9.896 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.467 9.957 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.255 8.958 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.559 6.931 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.630 8.002 -8.474 1.00 0.00 H new ATOM 16 N LEU A 3 11.535 10.143 -6.956 1.00 0.00 N ATOM 17 CA LEU A 3 11.202 10.258 -5.555 1.00 0.00 C ATOM 18 C LEU A 3 9.899 11.017 -5.390 1.00 0.00 C ATOM 19 O LEU A 3 9.352 11.558 -6.370 1.00 0.00 O ATOM 20 CB LEU A 3 12.331 10.959 -4.774 1.00 0.00 C ATOM 21 CG LEU A 3 13.681 10.228 -4.696 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.714 11.097 -4.002 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.536 8.906 -3.953 1.00 0.00 C ATOM 0 H LEU A 3 11.435 11.009 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 3 11.083 9.254 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.500 11.936 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.981 11.135 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 3 14.014 10.023 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.664 10.565 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.844 12.024 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.376 11.327 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.503 8.405 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.179 9.095 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.822 8.271 -4.477 1.00 0.00 H new ATOM 35 N LYS A 4 9.398 11.053 -4.179 1.00 0.00 N ATOM 36 CA LYS A 4 8.178 11.761 -3.877 1.00 0.00 C ATOM 37 C LYS A 4 8.383 12.621 -2.654 1.00 0.00 C ATOM 38 O LYS A 4 9.463 12.608 -2.047 1.00 0.00 O ATOM 39 CB LYS A 4 7.008 10.802 -3.589 1.00 0.00 C ATOM 40 CG LYS A 4 7.154 9.943 -2.324 1.00 0.00 C ATOM 41 CD LYS A 4 8.060 8.748 -2.533 1.00 0.00 C ATOM 42 CE LYS A 4 8.156 7.901 -1.281 1.00 0.00 C ATOM 43 NZ LYS A 4 8.819 6.613 -1.564 1.00 0.00 N ATOM 0 H LYS A 4 9.825 10.592 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 4 7.932 12.364 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.093 11.388 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.885 10.139 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.550 10.558 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.170 9.597 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.681 8.142 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.055 9.089 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.713 8.440 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.158 7.720 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.949 6.087 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.230 6.055 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.746 6.789 -2.001 1.00 0.00 H new ATOM 57 N HIS A 5 7.357 13.349 -2.289 1.00 0.00 N ATOM 58 CA HIS A 5 7.383 14.136 -1.078 1.00 0.00 C ATOM 59 C HIS A 5 6.522 13.484 0.018 1.00 0.00 C ATOM 60 O HIS A 5 6.727 13.738 1.200 1.00 0.00 O ATOM 61 CB HIS A 5 6.971 15.607 -1.341 1.00 0.00 C ATOM 62 CG HIS A 5 5.601 15.796 -1.935 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.390 15.841 -1.334 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.360 15.972 -3.277 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.410 16.043 -2.294 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.050 16.114 -3.447 1.00 0.00 N flip ATOM 0 H HIS A 5 6.487 13.414 -2.817 1.00 0.00 H new ATOM 0 HA HIS A 5 8.411 14.160 -0.717 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.019 16.154 -0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.704 16.058 -2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.106 15.991 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.345 16.125 -2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.598 16.259 -4.350 1.00 0.00 H new ATOM 74 N SER A 6 5.567 12.636 -0.383 1.00 0.00 N ATOM 75 CA SER A 6 4.703 11.949 0.571 1.00 0.00 C ATOM 76 C SER A 6 3.922 10.848 -0.131 1.00 0.00 C ATOM 77 O SER A 6 4.031 10.683 -1.354 1.00 0.00 O ATOM 78 CB SER A 6 3.714 12.946 1.206 1.00 0.00 C ATOM 79 OG SER A 6 2.838 13.496 0.223 1.00 0.00 O ATOM 0 H SER A 6 5.377 12.413 -1.360 1.00 0.00 H new ATOM 0 HA SER A 6 5.327 11.512 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.131 12.443 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.266 13.748 1.696 1.00 0.00 H new ATOM 0 HG SER A 6 3.298 14.214 -0.260 1.00 0.00 H new ATOM 85 N ILE A 7 3.115 10.122 0.638 1.00 0.00 N ATOM 86 CA ILE A 7 2.224 9.090 0.117 1.00 0.00 C ATOM 87 C ILE A 7 1.124 9.780 -0.713 1.00 0.00 C ATOM 88 O ILE A 7 0.554 9.202 -1.618 1.00 0.00 O ATOM 89 CB ILE A 7 1.598 8.268 1.309 1.00 0.00 C ATOM 90 CG1 ILE A 7 1.033 6.873 0.877 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.527 9.083 2.035 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.322 6.851 0.201 1.00 0.00 C ATOM 0 H ILE A 7 3.061 10.235 1.650 1.00 0.00 H new ATOM 0 HA ILE A 7 2.774 8.393 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 7 2.419 8.066 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.754 6.411 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.978 6.242 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.112 8.493 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.972 9.994 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.268 9.344 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.590 5.823 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.071 7.271 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.282 7.443 -0.713 1.00 0.00 H new ATOM 104 N SER A 8 0.902 11.060 -0.432 1.00 0.00 N ATOM 105 CA SER A 8 -0.100 11.819 -1.115 1.00 0.00 C ATOM 106 C SER A 8 0.418 12.237 -2.488 1.00 0.00 C ATOM 107 O SER A 8 -0.314 12.811 -3.284 1.00 0.00 O ATOM 108 CB SER A 8 -0.528 13.035 -0.276 1.00 0.00 C ATOM 109 OG SER A 8 -1.581 13.747 -0.904 1.00 0.00 O ATOM 0 H SER A 8 1.417 11.584 0.275 1.00 0.00 H new ATOM 0 HA SER A 8 -0.985 11.199 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.848 12.704 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.325 13.697 -0.129 1.00 0.00 H new ATOM 0 HG SER A 8 -1.553 13.588 -1.871 1.00 0.00 H new ATOM 115 N ASP A 9 1.690 11.968 -2.741 1.00 0.00 N ATOM 116 CA ASP A 9 2.255 12.186 -4.056 1.00 0.00 C ATOM 117 C ASP A 9 2.206 10.880 -4.853 1.00 0.00 C ATOM 118 O ASP A 9 2.664 10.785 -5.987 1.00 0.00 O ATOM 119 CB ASP A 9 3.674 12.739 -3.974 1.00 0.00 C ATOM 120 CG ASP A 9 4.268 13.068 -5.337 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.564 13.677 -6.182 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.441 12.720 -5.583 1.00 0.00 O ATOM 0 H ASP A 9 2.346 11.599 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 9 1.659 12.938 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.672 13.639 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.312 12.012 -3.472 1.00 0.00 H new ATOM 127 N TYR A 10 1.659 9.860 -4.254 1.00 0.00 N ATOM 128 CA TYR A 10 1.407 8.657 -4.981 1.00 0.00 C ATOM 129 C TYR A 10 0.018 8.724 -5.487 1.00 0.00 C ATOM 130 O TYR A 10 -0.904 9.034 -4.740 1.00 0.00 O ATOM 131 CB TYR A 10 1.548 7.400 -4.111 1.00 0.00 C ATOM 132 CG TYR A 10 2.954 6.913 -3.894 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.849 7.620 -3.119 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.384 5.724 -4.476 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.123 7.163 -2.928 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.667 5.260 -4.281 1.00 0.00 C ATOM 137 CZ TYR A 10 5.532 5.988 -3.503 1.00 0.00 C ATOM 138 OH TYR A 10 6.822 5.543 -3.290 1.00 0.00 O ATOM 0 H TYR A 10 1.382 9.841 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 10 2.140 8.582 -5.784 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.098 7.601 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.971 6.597 -4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.540 8.546 -2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.701 5.156 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.812 7.731 -2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.988 4.334 -4.735 1.00 0.00 H new ATOM 0 HH TYR A 10 6.958 4.696 -3.763 1.00 0.00 H new ATOM 148 N THR A 11 -0.142 8.458 -6.725 1.00 0.00 N ATOM 149 CA THR A 11 -1.430 8.377 -7.309 1.00 0.00 C ATOM 150 C THR A 11 -1.924 6.974 -6.982 1.00 0.00 C ATOM 151 O THR A 11 -1.074 6.088 -6.729 1.00 0.00 O ATOM 152 CB THR A 11 -1.267 8.557 -8.824 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.040 9.267 -9.032 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.378 9.414 -9.391 1.00 0.00 C ATOM 0 H THR A 11 0.626 8.287 -7.374 1.00 0.00 H new ATOM 0 HA THR A 11 -2.128 9.131 -6.945 1.00 0.00 H new ATOM 0 HB THR A 11 -1.284 7.580 -9.308 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.102 9.401 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.239 9.526 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.339 8.938 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.357 10.396 -8.918 1.00 0.00 H new ATOM 162 N GLU A 12 -3.239 6.751 -6.956 1.00 0.00 N ATOM 163 CA GLU A 12 -3.786 5.429 -6.609 1.00 0.00 C ATOM 164 C GLU A 12 -3.129 4.351 -7.438 1.00 0.00 C ATOM 165 O GLU A 12 -2.678 3.362 -6.916 1.00 0.00 O ATOM 166 CB GLU A 12 -5.298 5.364 -6.813 1.00 0.00 C ATOM 167 CG GLU A 12 -5.886 4.002 -6.484 1.00 0.00 C ATOM 168 CD GLU A 12 -7.328 3.881 -6.856 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.189 4.345 -6.087 1.00 0.00 O ATOM 170 OE2 GLU A 12 -7.641 3.291 -7.907 1.00 0.00 O ATOM 0 H GLU A 12 -3.943 7.458 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.575 5.266 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.776 6.120 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.530 5.613 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.317 3.232 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.775 3.813 -5.416 1.00 0.00 H new ATOM 177 N ALA A 13 -3.014 4.613 -8.715 1.00 0.00 N ATOM 178 CA ALA A 13 -2.423 3.667 -9.659 1.00 0.00 C ATOM 179 C ALA A 13 -0.973 3.314 -9.302 1.00 0.00 C ATOM 180 O ALA A 13 -0.611 2.142 -9.297 1.00 0.00 O ATOM 181 CB ALA A 13 -2.521 4.194 -11.080 1.00 0.00 C ATOM 0 H ALA A 13 -3.324 5.486 -9.141 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.998 2.744 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.075 3.474 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.569 4.344 -11.341 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.990 5.143 -11.154 1.00 0.00 H new ATOM 187 N GLU A 14 -0.177 4.321 -8.944 1.00 0.00 N ATOM 188 CA GLU A 14 1.252 4.125 -8.596 1.00 0.00 C ATOM 189 C GLU A 14 1.378 3.298 -7.345 1.00 0.00 C ATOM 190 O GLU A 14 2.265 2.445 -7.221 1.00 0.00 O ATOM 191 CB GLU A 14 1.944 5.467 -8.362 1.00 0.00 C ATOM 192 CG GLU A 14 1.907 6.415 -9.535 1.00 0.00 C ATOM 193 CD GLU A 14 2.563 5.846 -10.756 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.804 5.678 -10.764 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.864 5.578 -11.746 1.00 0.00 O ATOM 0 H GLU A 14 -0.489 5.290 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 14 1.727 3.611 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.479 5.954 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.985 5.281 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.871 6.662 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.403 7.346 -9.261 1.00 0.00 H new ATOM 202 N PHE A 15 0.494 3.548 -6.431 1.00 0.00 N ATOM 203 CA PHE A 15 0.478 2.847 -5.189 1.00 0.00 C ATOM 204 C PHE A 15 -0.109 1.477 -5.394 1.00 0.00 C ATOM 205 O PHE A 15 0.266 0.554 -4.771 1.00 0.00 O ATOM 206 CB PHE A 15 -0.284 3.636 -4.146 1.00 0.00 C ATOM 207 CG PHE A 15 -0.172 3.072 -2.775 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.891 3.419 -1.967 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.129 2.207 -2.289 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.996 2.909 -0.702 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.033 1.701 -1.029 1.00 0.00 C ATOM 212 CZ PHE A 15 0.032 2.048 -0.234 1.00 0.00 C ATOM 0 H PHE A 15 -0.241 4.249 -6.528 1.00 0.00 H new ATOM 0 HA PHE A 15 1.497 2.729 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.083 4.662 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.336 3.676 -4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.646 4.098 -2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.964 1.928 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.832 3.181 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.792 1.029 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.112 1.642 0.764 1.00 0.00 H new ATOM 222 N LEU A 16 -1.014 1.361 -6.281 1.00 0.00 N ATOM 223 CA LEU A 16 -1.611 0.085 -6.577 1.00 0.00 C ATOM 224 C LEU A 16 -0.589 -0.810 -7.265 1.00 0.00 C ATOM 225 O LEU A 16 -0.650 -2.030 -7.191 1.00 0.00 O ATOM 226 CB LEU A 16 -2.882 0.317 -7.379 1.00 0.00 C ATOM 227 CG LEU A 16 -3.841 -0.811 -7.452 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.249 -0.302 -7.249 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.774 -1.472 -8.753 1.00 0.00 C ATOM 0 H LEU A 16 -1.376 2.138 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.904 -0.444 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.400 1.176 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.598 0.588 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.577 -1.524 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.949 -1.136 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.327 0.173 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.489 0.424 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.487 -2.296 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.017 -0.756 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.768 -1.858 -8.913 1.00 0.00 H new ATOM 241 N GLU A 17 0.362 -0.189 -7.886 1.00 0.00 N ATOM 242 CA GLU A 17 1.488 -0.900 -8.417 1.00 0.00 C ATOM 243 C GLU A 17 2.444 -1.332 -7.291 1.00 0.00 C ATOM 244 O GLU A 17 3.219 -2.256 -7.491 1.00 0.00 O ATOM 245 CB GLU A 17 2.244 -0.109 -9.479 1.00 0.00 C ATOM 246 CG GLU A 17 1.451 0.165 -10.735 1.00 0.00 C ATOM 247 CD GLU A 17 2.281 0.831 -11.794 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.520 2.045 -11.702 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.723 0.148 -12.737 1.00 0.00 O ATOM 0 H GLU A 17 0.384 0.819 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 17 1.087 -1.787 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.561 0.841 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.148 -0.656 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.053 -0.772 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.597 0.798 -10.493 1.00 0.00 H new ATOM 256 N PHE A 18 2.369 -0.654 -6.105 1.00 0.00 N ATOM 257 CA PHE A 18 3.205 -1.010 -4.900 1.00 0.00 C ATOM 258 C PHE A 18 3.012 -2.462 -4.583 1.00 0.00 C ATOM 259 O PHE A 18 3.951 -3.245 -4.529 1.00 0.00 O ATOM 260 CB PHE A 18 2.849 -0.122 -3.591 1.00 0.00 C ATOM 261 CG PHE A 18 2.051 -0.802 -2.384 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.655 -0.886 -2.360 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.723 -1.337 -1.300 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.021 -1.486 -1.295 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.044 -1.931 -0.238 1.00 0.00 C ATOM 266 CZ PHE A 18 0.680 -2.005 -0.244 1.00 0.00 C ATOM 0 H PHE A 18 1.744 0.138 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 18 4.243 -0.797 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.787 0.262 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.269 0.738 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.087 -0.478 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.802 -1.293 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.100 -1.540 -1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.600 -2.335 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.158 -2.472 0.578 1.00 0.00 H new ATOM 276 N VAL A 19 1.779 -2.807 -4.462 1.00 0.00 N ATOM 277 CA VAL A 19 1.379 -4.108 -4.030 1.00 0.00 C ATOM 278 C VAL A 19 1.619 -5.149 -5.107 1.00 0.00 C ATOM 279 O VAL A 19 2.087 -6.252 -4.825 1.00 0.00 O ATOM 280 CB VAL A 19 -0.094 -4.083 -3.520 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.061 -3.607 -4.578 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.509 -5.398 -2.904 1.00 0.00 C ATOM 0 H VAL A 19 0.999 -2.181 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 19 2.002 -4.404 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.132 -3.345 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.073 -3.608 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.794 -2.596 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.015 -4.273 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.542 -5.330 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.422 -6.191 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.138 -5.623 -2.056 1.00 0.00 H new ATOM 292 N LYS A 20 1.356 -4.768 -6.329 1.00 0.00 N ATOM 293 CA LYS A 20 1.565 -5.629 -7.458 1.00 0.00 C ATOM 294 C LYS A 20 3.052 -5.949 -7.622 1.00 0.00 C ATOM 295 O LYS A 20 3.426 -7.068 -7.965 1.00 0.00 O ATOM 296 CB LYS A 20 1.007 -4.966 -8.692 1.00 0.00 C ATOM 297 CG LYS A 20 -0.492 -4.967 -8.677 1.00 0.00 C ATOM 298 CD LYS A 20 -1.074 -4.039 -9.694 1.00 0.00 C ATOM 299 CE LYS A 20 -2.565 -4.257 -9.872 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.891 -5.438 -10.697 1.00 0.00 N ATOM 0 H LYS A 20 0.989 -3.847 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 20 1.046 -6.574 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.372 -3.941 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.365 -5.486 -9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.854 -5.978 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.843 -4.681 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.892 -3.008 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.569 -4.185 -10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.028 -4.369 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.002 -3.370 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.924 -5.530 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.477 -5.325 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.502 -6.292 -10.249 1.00 0.00 H new ATOM 314 N LYS A 21 3.880 -4.948 -7.332 1.00 0.00 N ATOM 315 CA LYS A 21 5.335 -5.046 -7.372 1.00 0.00 C ATOM 316 C LYS A 21 5.790 -6.057 -6.335 1.00 0.00 C ATOM 317 O LYS A 21 6.470 -7.016 -6.662 1.00 0.00 O ATOM 318 CB LYS A 21 5.947 -3.657 -7.066 1.00 0.00 C ATOM 319 CG LYS A 21 7.455 -3.555 -7.179 1.00 0.00 C ATOM 320 CD LYS A 21 7.952 -2.211 -6.631 1.00 0.00 C ATOM 321 CE LYS A 21 7.368 -1.001 -7.381 1.00 0.00 C ATOM 322 NZ LYS A 21 7.836 -0.920 -8.776 1.00 0.00 N ATOM 0 H LYS A 21 3.548 -4.024 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 21 5.664 -5.370 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.502 -2.929 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.658 -3.370 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.922 -4.372 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.754 -3.661 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.691 -2.137 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.040 -2.180 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.280 -1.062 -7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.642 -0.086 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.414 -0.088 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.872 -0.835 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.553 -1.780 -9.288 1.00 0.00 H new ATOM 336 N ILE A 22 5.351 -5.855 -5.106 1.00 0.00 N ATOM 337 CA ILE A 22 5.687 -6.731 -3.985 1.00 0.00 C ATOM 338 C ILE A 22 5.243 -8.167 -4.278 1.00 0.00 C ATOM 339 O ILE A 22 5.972 -9.127 -4.030 1.00 0.00 O ATOM 340 CB ILE A 22 4.997 -6.228 -2.685 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.471 -4.807 -2.363 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.290 -7.169 -1.508 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.718 -4.130 -1.261 1.00 0.00 C ATOM 0 H ILE A 22 4.747 -5.074 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 22 6.768 -6.714 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 22 3.919 -6.218 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.527 -4.843 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.392 -4.200 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.796 -6.795 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.917 -8.167 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.366 -7.215 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.123 -3.130 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.665 -4.056 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.817 -4.710 -0.343 1.00 0.00 H new ATOM 355 N CYS A 23 4.066 -8.300 -4.840 1.00 0.00 N ATOM 356 CA CYS A 23 3.502 -9.591 -5.131 1.00 0.00 C ATOM 357 C CYS A 23 4.215 -10.283 -6.309 1.00 0.00 C ATOM 358 O CYS A 23 4.215 -11.501 -6.396 1.00 0.00 O ATOM 359 CB CYS A 23 1.991 -9.465 -5.393 1.00 0.00 C ATOM 360 SG CYS A 23 1.118 -11.034 -5.601 1.00 0.00 S ATOM 0 H CYS A 23 3.474 -7.514 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 23 3.654 -10.224 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.538 -8.922 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.842 -8.862 -6.289 1.00 0.00 H new ATOM 0 HG CYS A 23 1.946 -11.937 -6.036 1.00 0.00 H new ATOM 366 N ARG A 24 4.839 -9.518 -7.193 1.00 0.00 N ATOM 367 CA ARG A 24 5.471 -10.116 -8.360 1.00 0.00 C ATOM 368 C ARG A 24 6.985 -10.296 -8.182 1.00 0.00 C ATOM 369 O ARG A 24 7.574 -11.224 -8.722 1.00 0.00 O ATOM 370 CB ARG A 24 5.188 -9.305 -9.634 1.00 0.00 C ATOM 371 CG ARG A 24 5.956 -8.007 -9.743 1.00 0.00 C ATOM 372 CD ARG A 24 5.704 -7.330 -11.061 1.00 0.00 C ATOM 373 NE ARG A 24 6.612 -6.199 -11.256 1.00 0.00 N ATOM 374 CZ ARG A 24 6.733 -5.495 -12.382 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.951 -5.748 -13.420 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.644 -4.542 -12.465 1.00 0.00 N ATOM 0 H ARG A 24 4.921 -8.503 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 24 5.028 -11.106 -8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.422 -9.923 -10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.121 -9.085 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.667 -7.342 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.022 -8.203 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.832 -8.047 -11.872 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.672 -6.983 -11.103 1.00 0.00 H new ATOM 0 HE ARG A 24 7.199 -5.927 -10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.249 -6.486 -13.362 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.050 -5.205 -14.278 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.252 -4.347 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.740 -4.001 -13.325 1.00 0.00 H new ATOM 390 N ALA A 25 7.602 -9.432 -7.399 1.00 0.00 N ATOM 391 CA ALA A 25 9.057 -9.404 -7.258 1.00 0.00 C ATOM 392 C ALA A 25 9.560 -10.322 -6.150 1.00 0.00 C ATOM 393 O ALA A 25 10.731 -10.275 -5.842 1.00 0.00 O ATOM 394 CB ALA A 25 9.516 -7.978 -7.010 1.00 0.00 C ATOM 0 H ALA A 25 7.116 -8.729 -6.842 1.00 0.00 H new ATOM 0 HA ALA A 25 9.483 -9.777 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.601 -7.958 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.221 -7.350 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.056 -7.601 -6.096 1.00 0.00 H new ATOM 400 N GLU A 26 8.676 -11.266 -5.757 1.00 0.00 N ATOM 401 CA GLU A 26 8.690 -12.251 -4.621 1.00 0.00 C ATOM 402 C GLU A 26 10.034 -12.644 -4.030 1.00 0.00 C ATOM 403 O GLU A 26 10.287 -13.833 -3.761 1.00 0.00 O ATOM 404 CB GLU A 26 8.006 -13.528 -5.075 1.00 0.00 C ATOM 405 CG GLU A 26 6.556 -13.382 -5.425 1.00 0.00 C ATOM 406 CD GLU A 26 5.986 -14.677 -5.899 1.00 0.00 C ATOM 407 OE1 GLU A 26 5.685 -15.549 -5.064 1.00 0.00 O ATOM 408 OE2 GLU A 26 5.866 -14.873 -7.124 1.00 0.00 O ATOM 0 H GLU A 26 7.816 -11.380 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 26 8.179 -11.716 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.536 -13.917 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.100 -14.273 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.001 -13.034 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.440 -12.624 -6.200 1.00 0.00 H new ATOM 415 N GLY A 27 10.821 -11.708 -3.751 1.00 0.00 N ATOM 416 CA GLY A 27 12.021 -11.968 -3.126 1.00 0.00 C ATOM 417 C GLY A 27 13.239 -11.748 -3.974 1.00 0.00 C ATOM 418 O GLY A 27 13.652 -12.637 -4.728 1.00 0.00 O ATOM 0 H GLY A 27 10.645 -10.724 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.096 -11.338 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.018 -13.003 -2.783 1.00 0.00 H new ATOM 422 N ALA A 28 13.805 -10.554 -3.913 1.00 0.00 N ATOM 423 CA ALA A 28 15.143 -10.361 -4.486 1.00 0.00 C ATOM 424 C ALA A 28 16.079 -10.849 -3.407 1.00 0.00 C ATOM 425 O ALA A 28 17.169 -11.361 -3.631 1.00 0.00 O ATOM 426 CB ALA A 28 15.409 -8.898 -4.793 1.00 0.00 C ATOM 0 H ALA A 28 13.385 -9.726 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 28 15.264 -10.893 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.408 -8.791 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.671 -8.537 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.339 -8.315 -3.875 1.00 0.00 H new ATOM 432 N THR A 29 15.580 -10.647 -2.234 1.00 0.00 N ATOM 433 CA THR A 29 16.043 -11.064 -0.965 1.00 0.00 C ATOM 434 C THR A 29 14.835 -10.710 -0.162 1.00 0.00 C ATOM 435 O THR A 29 14.118 -9.781 -0.568 1.00 0.00 O ATOM 436 CB THR A 29 17.234 -10.217 -0.448 1.00 0.00 C ATOM 437 OG1 THR A 29 18.162 -9.948 -1.511 1.00 0.00 O ATOM 438 CG2 THR A 29 17.972 -10.969 0.650 1.00 0.00 C ATOM 0 H THR A 29 14.718 -10.110 -2.139 1.00 0.00 H new ATOM 0 HA THR A 29 16.395 -12.095 -0.940 1.00 0.00 H new ATOM 0 HB THR A 29 16.835 -9.279 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.906 -9.411 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.807 -10.366 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.290 -11.169 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.349 -11.912 0.255 1.00 0.00 H new ATOM 446 N GLU A 30 14.559 -11.377 0.896 1.00 0.00 N ATOM 447 CA GLU A 30 13.357 -11.064 1.636 1.00 0.00 C ATOM 448 C GLU A 30 13.468 -9.679 2.258 1.00 0.00 C ATOM 449 O GLU A 30 12.463 -8.994 2.470 1.00 0.00 O ATOM 450 CB GLU A 30 13.028 -12.145 2.654 1.00 0.00 C ATOM 451 CG GLU A 30 11.780 -11.852 3.474 1.00 0.00 C ATOM 452 CD GLU A 30 11.391 -12.967 4.390 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.718 -13.911 3.936 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.743 -12.926 5.580 1.00 0.00 O ATOM 0 H GLU A 30 15.126 -12.133 1.278 1.00 0.00 H new ATOM 0 HA GLU A 30 12.515 -11.043 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.896 -13.094 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.875 -12.267 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.946 -10.950 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.951 -11.643 2.797 1.00 0.00 H new ATOM 461 N GLU A 31 14.696 -9.242 2.507 1.00 0.00 N ATOM 462 CA GLU A 31 14.901 -7.915 2.999 1.00 0.00 C ATOM 463 C GLU A 31 14.503 -6.886 1.946 1.00 0.00 C ATOM 464 O GLU A 31 13.935 -5.883 2.283 1.00 0.00 O ATOM 465 CB GLU A 31 16.328 -7.645 3.478 1.00 0.00 C ATOM 466 CG GLU A 31 17.371 -7.628 2.379 1.00 0.00 C ATOM 467 CD GLU A 31 18.563 -6.806 2.756 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.440 -5.558 2.796 1.00 0.00 O ATOM 469 OE2 GLU A 31 19.643 -7.363 3.004 1.00 0.00 O ATOM 0 H GLU A 31 15.546 -9.790 2.374 1.00 0.00 H new ATOM 0 HA GLU A 31 14.259 -7.822 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.348 -6.685 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.602 -8.406 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.687 -8.648 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.930 -7.230 1.465 1.00 0.00 H new ATOM 476 N ASP A 32 14.752 -7.186 0.669 1.00 0.00 N ATOM 477 CA ASP A 32 14.475 -6.231 -0.416 1.00 0.00 C ATOM 478 C ASP A 32 13.008 -5.956 -0.504 1.00 0.00 C ATOM 479 O ASP A 32 12.565 -4.794 -0.546 1.00 0.00 O ATOM 480 CB ASP A 32 14.978 -6.735 -1.765 1.00 0.00 C ATOM 481 CG ASP A 32 14.728 -5.717 -2.875 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.455 -4.691 -2.949 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.830 -5.916 -3.691 1.00 0.00 O ATOM 0 H ASP A 32 15.142 -8.076 0.358 1.00 0.00 H new ATOM 0 HA ASP A 32 15.010 -5.312 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.045 -6.948 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.480 -7.673 -2.012 1.00 0.00 H new ATOM 488 N ASP A 33 12.265 -7.020 -0.479 1.00 0.00 N ATOM 489 CA ASP A 33 10.835 -6.979 -0.535 1.00 0.00 C ATOM 490 C ASP A 33 10.261 -6.334 0.694 1.00 0.00 C ATOM 491 O ASP A 33 9.436 -5.424 0.592 1.00 0.00 O ATOM 492 CB ASP A 33 10.263 -8.377 -0.708 1.00 0.00 C ATOM 493 CG ASP A 33 10.533 -8.961 -2.074 1.00 0.00 C ATOM 494 OD1 ASP A 33 11.724 -9.067 -2.474 1.00 0.00 O ATOM 495 OD2 ASP A 33 9.564 -9.327 -2.768 1.00 0.00 O ATOM 0 H ASP A 33 12.645 -7.964 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 33 10.556 -6.376 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.687 -9.033 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.187 -8.347 -0.538 1.00 0.00 H new ATOM 500 N ASN A 34 10.725 -6.749 1.876 1.00 0.00 N ATOM 501 CA ASN A 34 10.154 -6.201 3.099 1.00 0.00 C ATOM 502 C ASN A 34 10.531 -4.744 3.286 1.00 0.00 C ATOM 503 O ASN A 34 9.784 -3.999 3.897 1.00 0.00 O ATOM 504 CB ASN A 34 10.418 -7.035 4.387 1.00 0.00 C ATOM 505 CG ASN A 34 11.712 -6.759 5.113 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.807 -5.839 5.913 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.664 -7.595 4.925 1.00 0.00 N ATOM 0 H ASN A 34 11.467 -7.437 2.007 1.00 0.00 H new ATOM 0 HA ASN A 34 9.076 -6.266 2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.594 -6.863 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.395 -8.092 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.534 -7.504 5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.553 -8.351 4.250 1.00 0.00 H new ATOM 514 N LYS A 35 11.677 -4.329 2.723 1.00 0.00 N ATOM 515 CA LYS A 35 12.104 -2.967 2.728 1.00 0.00 C ATOM 516 C LYS A 35 11.069 -2.111 2.019 1.00 0.00 C ATOM 517 O LYS A 35 10.704 -1.034 2.508 1.00 0.00 O ATOM 518 CB LYS A 35 13.412 -2.901 1.990 1.00 0.00 C ATOM 519 CG LYS A 35 14.633 -2.552 2.814 1.00 0.00 C ATOM 520 CD LYS A 35 14.855 -3.500 3.987 1.00 0.00 C ATOM 521 CE LYS A 35 16.152 -3.186 4.716 1.00 0.00 C ATOM 522 NZ LYS A 35 17.343 -3.319 3.839 1.00 0.00 N ATOM 0 H LYS A 35 12.325 -4.959 2.251 1.00 0.00 H new ATOM 0 HA LYS A 35 12.221 -2.599 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.585 -3.867 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.317 -2.165 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.513 -2.566 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.530 -1.535 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.018 -3.424 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.878 -4.528 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.107 -2.171 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.257 -3.856 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.206 -3.178 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.358 -4.269 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.301 -2.604 3.085 1.00 0.00 H new ATOM 536 N LEU A 36 10.576 -2.617 0.889 1.00 0.00 N ATOM 537 CA LEU A 36 9.535 -1.944 0.135 1.00 0.00 C ATOM 538 C LEU A 36 8.305 -1.853 0.994 1.00 0.00 C ATOM 539 O LEU A 36 7.768 -0.780 1.213 1.00 0.00 O ATOM 540 CB LEU A 36 9.185 -2.710 -1.153 1.00 0.00 C ATOM 541 CG LEU A 36 10.308 -2.903 -2.163 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.834 -3.778 -3.310 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.774 -1.558 -2.689 1.00 0.00 C ATOM 0 H LEU A 36 10.888 -3.497 0.479 1.00 0.00 H new ATOM 0 HA LEU A 36 9.896 -0.954 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.808 -3.693 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.368 -2.186 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 36 11.145 -3.396 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.645 -3.910 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.530 -4.751 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.987 -3.303 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.577 -1.708 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.941 -1.049 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.139 -0.950 -1.861 1.00 0.00 H new ATOM 555 N VAL A 37 7.905 -2.993 1.528 1.00 0.00 N ATOM 556 CA VAL A 37 6.721 -3.087 2.364 1.00 0.00 C ATOM 557 C VAL A 37 6.777 -2.075 3.521 1.00 0.00 C ATOM 558 O VAL A 37 5.815 -1.366 3.754 1.00 0.00 O ATOM 559 CB VAL A 37 6.522 -4.516 2.934 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.227 -4.598 3.701 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.539 -5.563 1.841 1.00 0.00 C ATOM 0 H VAL A 37 8.391 -3.880 1.395 1.00 0.00 H new ATOM 0 HA VAL A 37 5.870 -2.853 1.724 1.00 0.00 H new ATOM 0 HB VAL A 37 7.355 -4.719 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.101 -5.606 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.247 -3.886 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.395 -4.361 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.397 -6.550 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.736 -5.362 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.497 -5.532 1.322 1.00 0.00 H new ATOM 571 N ARG A 38 7.942 -1.969 4.180 1.00 0.00 N ATOM 572 CA ARG A 38 8.122 -1.049 5.321 1.00 0.00 C ATOM 573 C ARG A 38 7.868 0.378 4.911 1.00 0.00 C ATOM 574 O ARG A 38 7.154 1.106 5.602 1.00 0.00 O ATOM 575 CB ARG A 38 9.537 -1.081 5.897 1.00 0.00 C ATOM 576 CG ARG A 38 10.025 -2.399 6.420 1.00 0.00 C ATOM 577 CD ARG A 38 11.409 -2.232 6.991 1.00 0.00 C ATOM 578 NE ARG A 38 12.054 -3.511 7.294 1.00 0.00 N ATOM 579 CZ ARG A 38 13.260 -3.665 7.856 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.920 -2.617 8.331 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.780 -4.878 7.973 1.00 0.00 N ATOM 0 H ARG A 38 8.775 -2.508 3.944 1.00 0.00 H new ATOM 0 HA ARG A 38 7.408 -1.390 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.227 -0.747 5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.591 -0.353 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.346 -2.772 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.037 -3.138 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.025 -1.678 6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.353 -1.634 7.900 1.00 0.00 H new ATOM 0 HE ARG A 38 11.540 -4.359 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.510 -1.685 8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.838 -2.743 8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.262 -5.690 7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.698 -5.000 8.400 1.00 0.00 H new ATOM 595 N GLU A 39 8.442 0.785 3.781 1.00 0.00 N ATOM 596 CA GLU A 39 8.323 2.156 3.366 1.00 0.00 C ATOM 597 C GLU A 39 6.882 2.468 3.010 1.00 0.00 C ATOM 598 O GLU A 39 6.360 3.505 3.393 1.00 0.00 O ATOM 599 CB GLU A 39 9.295 2.527 2.231 1.00 0.00 C ATOM 600 CG GLU A 39 8.959 1.996 0.853 1.00 0.00 C ATOM 601 CD GLU A 39 9.936 2.479 -0.168 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.867 3.674 -0.544 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.805 1.706 -0.591 1.00 0.00 O ATOM 0 H GLU A 39 8.982 0.188 3.155 1.00 0.00 H new ATOM 0 HA GLU A 39 8.614 2.782 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.353 3.614 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.288 2.169 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.958 0.906 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.953 2.311 0.575 1.00 0.00 H new ATOM 610 N PHE A 40 6.224 1.530 2.346 1.00 0.00 N ATOM 611 CA PHE A 40 4.840 1.692 1.992 1.00 0.00 C ATOM 612 C PHE A 40 3.957 1.717 3.241 1.00 0.00 C ATOM 613 O PHE A 40 3.023 2.526 3.323 1.00 0.00 O ATOM 614 CB PHE A 40 4.389 0.628 1.005 1.00 0.00 C ATOM 615 CG PHE A 40 5.064 0.691 -0.359 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.960 1.819 -1.165 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.751 -0.406 -0.852 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.533 1.837 -2.431 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.328 -0.391 -2.104 1.00 0.00 C ATOM 620 CZ PHE A 40 6.219 0.721 -2.895 1.00 0.00 C ATOM 0 H PHE A 40 6.637 0.648 2.044 1.00 0.00 H new ATOM 0 HA PHE A 40 4.733 2.655 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.575 -0.354 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.312 0.716 0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.430 2.688 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.837 -1.293 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.445 2.716 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.866 -1.257 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.666 0.731 -3.878 1.00 0.00 H new ATOM 630 N GLU A 41 4.267 0.845 4.223 1.00 0.00 N ATOM 631 CA GLU A 41 3.605 0.845 5.530 1.00 0.00 C ATOM 632 C GLU A 41 3.741 2.199 6.200 1.00 0.00 C ATOM 633 O GLU A 41 2.798 2.710 6.756 1.00 0.00 O ATOM 634 CB GLU A 41 4.216 -0.206 6.462 1.00 0.00 C ATOM 635 CG GLU A 41 3.816 -1.641 6.196 1.00 0.00 C ATOM 636 CD GLU A 41 4.538 -2.615 7.101 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.748 -2.838 6.922 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.904 -3.166 8.047 1.00 0.00 O ATOM 0 H GLU A 41 4.983 0.125 4.125 1.00 0.00 H new ATOM 0 HA GLU A 41 2.554 0.614 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.302 -0.134 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.942 0.043 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.740 -1.748 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.029 -1.888 5.156 1.00 0.00 H new ATOM 645 N ARG A 42 4.926 2.761 6.134 1.00 0.00 N ATOM 646 CA ARG A 42 5.233 4.046 6.758 1.00 0.00 C ATOM 647 C ARG A 42 4.530 5.173 6.039 1.00 0.00 C ATOM 648 O ARG A 42 3.987 6.062 6.675 1.00 0.00 O ATOM 649 CB ARG A 42 6.742 4.270 6.743 1.00 0.00 C ATOM 650 CG ARG A 42 7.239 5.464 7.546 1.00 0.00 C ATOM 651 CD ARG A 42 6.831 5.385 9.011 1.00 0.00 C ATOM 652 NE ARG A 42 7.308 4.163 9.685 1.00 0.00 N ATOM 653 CZ ARG A 42 7.489 4.046 11.006 1.00 0.00 C ATOM 654 NH1 ARG A 42 7.314 5.100 11.812 1.00 0.00 N ATOM 655 NH2 ARG A 42 7.856 2.881 11.515 1.00 0.00 N ATOM 0 H ARG A 42 5.717 2.343 5.644 1.00 0.00 H new ATOM 0 HA ARG A 42 4.879 4.031 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.228 3.372 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.063 4.392 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.325 5.519 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.844 6.382 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.220 6.257 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.744 5.429 9.081 1.00 0.00 H new ATOM 0 HE ARG A 42 7.514 3.350 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.041 6.001 11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.454 5.002 12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.999 2.079 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.996 2.785 12.521 1.00 0.00 H new ATOM 669 N LEU A 43 4.553 5.129 4.729 1.00 0.00 N ATOM 670 CA LEU A 43 3.873 6.124 3.900 1.00 0.00 C ATOM 671 C LEU A 43 2.391 6.215 4.262 1.00 0.00 C ATOM 672 O LEU A 43 1.845 7.303 4.464 1.00 0.00 O ATOM 673 CB LEU A 43 4.029 5.781 2.412 1.00 0.00 C ATOM 674 CG LEU A 43 5.434 5.896 1.820 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.434 5.465 0.367 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.957 7.313 1.953 1.00 0.00 C ATOM 0 H LEU A 43 5.040 4.408 4.197 1.00 0.00 H new ATOM 0 HA LEU A 43 4.336 7.092 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.680 4.760 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.366 6.432 1.842 1.00 0.00 H new ATOM 0 HG LEU A 43 6.096 5.233 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.442 5.553 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.103 4.429 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.757 6.103 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.958 7.373 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.294 7.997 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.995 7.589 3.007 1.00 0.00 H new ATOM 688 N THR A 44 1.777 5.074 4.405 1.00 0.00 N ATOM 689 CA THR A 44 0.371 4.986 4.710 1.00 0.00 C ATOM 690 C THR A 44 0.112 5.070 6.198 1.00 0.00 C ATOM 691 O THR A 44 -1.043 5.233 6.628 1.00 0.00 O ATOM 692 CB THR A 44 -0.191 3.686 4.117 1.00 0.00 C ATOM 693 OG1 THR A 44 0.638 2.585 4.509 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.173 3.808 2.621 1.00 0.00 C ATOM 0 H THR A 44 2.240 4.170 4.313 1.00 0.00 H new ATOM 0 HA THR A 44 -0.140 5.837 4.260 1.00 0.00 H new ATOM 0 HB THR A 44 -1.207 3.517 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.350 2.460 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.568 2.895 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.788 4.655 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.851 3.963 2.281 1.00 0.00 H new ATOM 702 N GLU A 45 1.216 4.986 6.980 1.00 0.00 N ATOM 703 CA GLU A 45 1.194 4.930 8.444 1.00 0.00 C ATOM 704 C GLU A 45 0.293 3.765 8.852 1.00 0.00 C ATOM 705 O GLU A 45 -0.325 3.761 9.929 1.00 0.00 O ATOM 706 CB GLU A 45 0.674 6.238 9.018 1.00 0.00 C ATOM 707 CG GLU A 45 1.458 7.478 8.624 1.00 0.00 C ATOM 708 CD GLU A 45 0.894 8.722 9.259 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.272 9.086 8.975 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.582 9.368 10.070 1.00 0.00 O ATOM 0 H GLU A 45 2.159 4.955 6.594 1.00 0.00 H new ATOM 0 HA GLU A 45 2.201 4.780 8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.361 6.368 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.669 6.162 10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.500 7.359 8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.446 7.586 7.539 1.00 0.00 H new ATOM 717 N HIS A 46 0.276 2.756 7.994 1.00 0.00 N ATOM 718 CA HIS A 46 -0.631 1.679 8.112 1.00 0.00 C ATOM 719 C HIS A 46 0.000 0.517 8.892 1.00 0.00 C ATOM 720 O HIS A 46 1.061 0.006 8.529 1.00 0.00 O ATOM 721 CB HIS A 46 -1.155 1.239 6.721 1.00 0.00 C ATOM 722 CG HIS A 46 -2.356 0.353 6.809 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.340 -0.873 7.403 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.647 0.627 6.560 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.593 -1.282 7.545 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.430 -0.414 7.034 1.00 0.00 N ATOM 0 H HIS A 46 0.907 2.683 7.196 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.496 2.016 8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.404 2.124 6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.361 0.716 6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.016 1.516 6.069 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.885 -2.208 8.019 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.446 -0.488 6.993 1.00 0.00 H new ATOM 734 N PRO A 47 -0.689 0.079 9.947 1.00 0.00 N ATOM 735 CA PRO A 47 -0.229 -0.952 10.882 1.00 0.00 C ATOM 736 C PRO A 47 -0.027 -2.301 10.258 1.00 0.00 C ATOM 737 O PRO A 47 1.022 -2.916 10.375 1.00 0.00 O ATOM 738 CB PRO A 47 -1.397 -1.059 11.864 1.00 0.00 C ATOM 739 CG PRO A 47 -2.553 -0.440 11.214 1.00 0.00 C ATOM 740 CD PRO A 47 -2.007 0.586 10.323 1.00 0.00 C ATOM 0 HA PRO A 47 0.738 -0.679 11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.603 -2.101 12.108 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.163 -0.553 12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.129 -1.178 10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.227 -0.001 11.950 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.641 0.731 9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.933 1.550 10.826 1.00 0.00 H new ATOM 748 N ASP A 48 -1.024 -2.723 9.559 1.00 0.00 N ATOM 749 CA ASP A 48 -1.101 -4.042 9.046 1.00 0.00 C ATOM 750 C ASP A 48 -0.656 -4.020 7.610 1.00 0.00 C ATOM 751 O ASP A 48 -0.862 -4.946 6.899 1.00 0.00 O ATOM 752 CB ASP A 48 -2.563 -4.522 9.163 1.00 0.00 C ATOM 753 CG ASP A 48 -2.793 -6.017 8.987 1.00 0.00 C ATOM 754 OD1 ASP A 48 -2.501 -6.800 9.935 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.326 -6.427 7.951 1.00 0.00 O ATOM 0 H ASP A 48 -1.829 -2.142 9.324 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.459 -4.724 9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.943 -4.229 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.158 -3.993 8.419 1.00 0.00 H new ATOM 760 N GLY A 49 0.015 -2.918 7.212 1.00 0.00 N ATOM 761 CA GLY A 49 0.461 -2.738 5.794 1.00 0.00 C ATOM 762 C GLY A 49 1.233 -3.887 5.223 1.00 0.00 C ATOM 763 O GLY A 49 1.217 -4.105 4.019 1.00 0.00 O ATOM 0 H GLY A 49 0.261 -2.147 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.417 -2.565 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.076 -1.840 5.734 1.00 0.00 H new ATOM 767 N SER A 50 1.873 -4.626 6.059 1.00 0.00 N ATOM 768 CA SER A 50 2.566 -5.799 5.599 1.00 0.00 C ATOM 769 C SER A 50 1.605 -6.973 5.490 1.00 0.00 C ATOM 770 O SER A 50 1.435 -7.558 4.413 1.00 0.00 O ATOM 771 CB SER A 50 3.739 -6.101 6.501 1.00 0.00 C ATOM 772 OG SER A 50 3.386 -5.896 7.856 1.00 0.00 O ATOM 0 H SER A 50 1.937 -4.449 7.062 1.00 0.00 H new ATOM 0 HA SER A 50 2.964 -5.615 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.062 -7.132 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.582 -5.462 6.238 1.00 0.00 H new ATOM 0 HG SER A 50 3.548 -4.960 8.098 1.00 0.00 H new ATOM 778 N ASP A 51 0.929 -7.261 6.594 1.00 0.00 N ATOM 779 CA ASP A 51 -0.037 -8.354 6.679 1.00 0.00 C ATOM 780 C ASP A 51 -1.142 -8.216 5.649 1.00 0.00 C ATOM 781 O ASP A 51 -1.666 -9.201 5.220 1.00 0.00 O ATOM 782 CB ASP A 51 -0.656 -8.459 8.064 1.00 0.00 C ATOM 783 CG ASP A 51 0.303 -8.813 9.164 1.00 0.00 C ATOM 784 OD1 ASP A 51 1.150 -7.976 9.530 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.201 -9.919 9.730 1.00 0.00 O ATOM 0 H ASP A 51 1.035 -6.740 7.464 1.00 0.00 H new ATOM 0 HA ASP A 51 0.525 -9.265 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.129 -7.507 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.446 -9.209 8.036 1.00 0.00 H new ATOM 790 N LEU A 52 -1.469 -6.985 5.250 1.00 0.00 N ATOM 791 CA LEU A 52 -2.470 -6.717 4.191 1.00 0.00 C ATOM 792 C LEU A 52 -2.170 -7.518 2.950 1.00 0.00 C ATOM 793 O LEU A 52 -3.067 -8.068 2.312 1.00 0.00 O ATOM 794 CB LEU A 52 -2.477 -5.229 3.774 1.00 0.00 C ATOM 795 CG LEU A 52 -2.927 -4.193 4.795 1.00 0.00 C ATOM 796 CD1 LEU A 52 -2.910 -2.813 4.159 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.312 -4.523 5.287 1.00 0.00 C ATOM 0 H LEU A 52 -1.054 -6.141 5.645 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.436 -6.995 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.467 -4.968 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.119 -5.133 2.898 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.244 -4.203 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.232 -2.071 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.899 -2.578 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.587 -2.798 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.626 -3.777 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.006 -4.523 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.307 -5.508 5.754 1.00 0.00 H new ATOM 809 N ILE A 53 -0.902 -7.604 2.645 1.00 0.00 N ATOM 810 CA ILE A 53 -0.443 -8.229 1.423 1.00 0.00 C ATOM 811 C ILE A 53 -0.365 -9.733 1.599 1.00 0.00 C ATOM 812 O ILE A 53 -0.663 -10.513 0.689 1.00 0.00 O ATOM 813 CB ILE A 53 0.967 -7.689 1.074 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.940 -6.157 1.025 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.477 -8.268 -0.251 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.299 -5.527 0.864 1.00 0.00 C ATOM 0 H ILE A 53 -0.153 -7.243 3.236 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.145 -7.998 0.622 1.00 0.00 H new ATOM 0 HB ILE A 53 1.659 -8.007 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.304 -5.841 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.483 -5.782 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.468 -7.868 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.532 -9.354 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.794 -7.994 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.196 -4.442 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.934 -5.811 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.752 -5.871 -0.066 1.00 0.00 H new ATOM 828 N TYR A 54 0.003 -10.123 2.774 1.00 0.00 N ATOM 829 CA TYR A 54 0.298 -11.498 3.059 1.00 0.00 C ATOM 830 C TYR A 54 -0.895 -12.292 3.611 1.00 0.00 C ATOM 831 O TYR A 54 -0.943 -13.521 3.488 1.00 0.00 O ATOM 832 CB TYR A 54 1.504 -11.560 3.988 1.00 0.00 C ATOM 833 CG TYR A 54 2.781 -11.030 3.350 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.466 -11.773 2.397 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.280 -9.777 3.679 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.612 -11.286 1.796 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.419 -9.276 3.086 1.00 0.00 C ATOM 838 CZ TYR A 54 5.086 -10.037 2.141 1.00 0.00 C ATOM 839 OH TYR A 54 6.234 -9.541 1.533 1.00 0.00 O ATOM 0 H TYR A 54 0.110 -9.497 3.572 1.00 0.00 H new ATOM 0 HA TYR A 54 0.532 -11.989 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.290 -10.985 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.662 -12.593 4.299 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.097 -12.749 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.764 -9.181 4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.133 -11.880 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.788 -8.298 3.356 1.00 0.00 H new ATOM 0 HH TYR A 54 6.184 -8.563 1.487 1.00 0.00 H new ATOM 849 N TYR A 55 -1.832 -11.616 4.220 1.00 0.00 N ATOM 850 CA TYR A 55 -2.992 -12.256 4.808 1.00 0.00 C ATOM 851 C TYR A 55 -4.245 -11.453 4.501 1.00 0.00 C ATOM 852 O TYR A 55 -4.402 -10.340 4.988 1.00 0.00 O ATOM 853 CB TYR A 55 -2.849 -12.365 6.338 1.00 0.00 C ATOM 854 CG TYR A 55 -1.637 -13.127 6.805 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.605 -14.511 6.766 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.520 -12.457 7.280 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.494 -15.207 7.187 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.595 -13.146 7.700 1.00 0.00 C ATOM 859 CZ TYR A 55 0.602 -14.518 7.656 1.00 0.00 C ATOM 860 OH TYR A 55 1.716 -15.207 8.069 1.00 0.00 O ATOM 0 H TYR A 55 -1.818 -10.602 4.326 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.068 -13.255 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.813 -11.360 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.741 -12.847 6.739 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.465 -15.053 6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.525 -11.378 7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.482 -16.286 7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.460 -12.610 8.062 1.00 0.00 H new ATOM 0 HH TYR A 55 2.400 -14.573 8.370 1.00 0.00 H new ATOM 870 N PRO A 56 -5.149 -11.988 3.677 1.00 0.00 N ATOM 871 CA PRO A 56 -6.410 -11.324 3.373 1.00 0.00 C ATOM 872 C PRO A 56 -7.308 -11.276 4.595 1.00 0.00 C ATOM 873 O PRO A 56 -7.171 -12.116 5.510 1.00 0.00 O ATOM 874 CB PRO A 56 -7.057 -12.227 2.323 1.00 0.00 C ATOM 875 CG PRO A 56 -6.391 -13.543 2.459 1.00 0.00 C ATOM 876 CD PRO A 56 -5.009 -13.267 2.955 1.00 0.00 C ATOM 0 HA PRO A 56 -6.258 -10.297 3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.131 -12.313 2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.921 -11.821 1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.933 -14.182 3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.363 -14.065 1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.652 -14.061 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.297 -13.188 2.134 1.00 0.00 H new ATOM 884 N ARG A 57 -8.190 -10.293 4.660 1.00 0.00 N ATOM 885 CA ARG A 57 -9.163 -10.283 5.739 1.00 0.00 C ATOM 886 C ARG A 57 -10.310 -11.251 5.428 1.00 0.00 C ATOM 887 O ARG A 57 -10.081 -12.452 5.259 1.00 0.00 O ATOM 888 CB ARG A 57 -9.708 -8.880 5.981 1.00 0.00 C ATOM 889 CG ARG A 57 -8.684 -7.877 6.459 1.00 0.00 C ATOM 890 CD ARG A 57 -9.294 -6.496 6.577 1.00 0.00 C ATOM 891 NE ARG A 57 -10.495 -6.478 7.418 1.00 0.00 N ATOM 892 CZ ARG A 57 -11.412 -5.504 7.418 1.00 0.00 C ATOM 893 NH1 ARG A 57 -11.269 -4.442 6.619 1.00 0.00 N ATOM 894 NH2 ARG A 57 -12.476 -5.602 8.207 1.00 0.00 N ATOM 0 H ARG A 57 -8.254 -9.516 4.003 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.659 -10.609 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.151 -8.513 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.510 -8.939 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.288 -8.188 7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.844 -7.850 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.555 -5.811 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.546 -6.129 5.582 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.642 -7.266 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.458 -4.371 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.971 -3.702 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.591 -6.417 8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.178 -4.862 8.211 1.00 0.00 H new ATOM 908 N ASP A 58 -11.515 -10.747 5.303 1.00 0.00 N ATOM 909 CA ASP A 58 -12.631 -11.616 4.983 1.00 0.00 C ATOM 910 C ASP A 58 -13.386 -11.245 3.732 1.00 0.00 C ATOM 911 O ASP A 58 -13.278 -11.909 2.696 1.00 0.00 O ATOM 912 CB ASP A 58 -13.604 -11.824 6.151 1.00 0.00 C ATOM 913 CG ASP A 58 -14.721 -12.801 5.789 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.460 -14.026 5.724 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.864 -12.373 5.531 1.00 0.00 O ATOM 0 H ASP A 58 -11.749 -9.761 5.415 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.141 -12.568 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.058 -12.200 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.037 -10.866 6.439 1.00 0.00 H new ATOM 920 N ASP A 59 -14.110 -10.168 3.829 1.00 0.00 N ATOM 921 CA ASP A 59 -15.133 -9.831 2.845 1.00 0.00 C ATOM 922 C ASP A 59 -14.668 -8.785 1.857 1.00 0.00 C ATOM 923 O ASP A 59 -15.346 -8.509 0.866 1.00 0.00 O ATOM 924 CB ASP A 59 -16.396 -9.353 3.578 1.00 0.00 C ATOM 925 CG ASP A 59 -17.602 -9.236 2.678 1.00 0.00 C ATOM 926 OD1 ASP A 59 -18.176 -10.288 2.319 1.00 0.00 O ATOM 927 OD2 ASP A 59 -18.024 -8.104 2.342 1.00 0.00 O ATOM 0 H ASP A 59 -14.019 -9.491 4.586 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.350 -10.728 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.622 -10.047 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.197 -8.384 4.035 1.00 0.00 H new ATOM 932 N ARG A 60 -13.503 -8.225 2.095 1.00 0.00 N ATOM 933 CA ARG A 60 -12.996 -7.173 1.208 1.00 0.00 C ATOM 934 C ARG A 60 -12.641 -7.771 -0.145 1.00 0.00 C ATOM 935 O ARG A 60 -12.561 -9.006 -0.289 1.00 0.00 O ATOM 936 CB ARG A 60 -11.719 -6.506 1.756 1.00 0.00 C ATOM 937 CG ARG A 60 -10.484 -7.403 1.699 1.00 0.00 C ATOM 938 CD ARG A 60 -9.206 -6.596 1.756 1.00 0.00 C ATOM 939 NE ARG A 60 -8.021 -7.456 1.668 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.973 -7.402 2.487 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.948 -6.533 3.498 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.955 -8.230 2.283 1.00 0.00 N ATOM 0 H ARG A 60 -12.891 -8.466 2.875 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.786 -6.426 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.523 -5.596 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.892 -6.206 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.507 -8.108 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.503 -7.991 0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.194 -5.874 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.175 -6.027 2.685 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.998 -8.150 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.736 -5.903 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.141 -6.498 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.984 -8.893 1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.144 -8.203 2.901 1.00 0.00 H new ATOM 956 N GLU A 61 -12.424 -6.926 -1.121 1.00 0.00 N ATOM 957 CA GLU A 61 -11.882 -7.396 -2.363 1.00 0.00 C ATOM 958 C GLU A 61 -10.452 -7.727 -2.069 1.00 0.00 C ATOM 959 O GLU A 61 -9.673 -6.854 -1.654 1.00 0.00 O ATOM 960 CB GLU A 61 -11.923 -6.336 -3.452 1.00 0.00 C ATOM 961 CG GLU A 61 -11.376 -6.810 -4.778 1.00 0.00 C ATOM 962 CD GLU A 61 -12.183 -7.904 -5.402 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.985 -9.070 -5.044 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.008 -7.625 -6.280 1.00 0.00 O ATOM 0 H GLU A 61 -12.612 -5.924 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.462 -8.243 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.953 -6.008 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.353 -5.467 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.331 -5.966 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.354 -7.160 -4.636 1.00 0.00 H new ATOM 971 N ASP A 62 -10.091 -8.937 -2.232 1.00 0.00 N ATOM 972 CA ASP A 62 -8.757 -9.293 -1.890 1.00 0.00 C ATOM 973 C ASP A 62 -7.960 -9.460 -3.114 1.00 0.00 C ATOM 974 O ASP A 62 -7.866 -10.542 -3.704 1.00 0.00 O ATOM 975 CB ASP A 62 -8.635 -10.478 -0.965 1.00 0.00 C ATOM 976 CG ASP A 62 -7.203 -10.641 -0.534 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.711 -9.789 0.243 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.531 -11.591 -0.988 1.00 0.00 O ATOM 0 H ASP A 62 -10.678 -9.690 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.356 -8.466 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.273 -10.338 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.978 -11.382 -1.469 1.00 0.00 H new ATOM 983 N SER A 63 -7.456 -8.381 -3.527 1.00 0.00 N ATOM 984 CA SER A 63 -6.745 -8.264 -4.720 1.00 0.00 C ATOM 985 C SER A 63 -5.719 -7.189 -4.465 1.00 0.00 C ATOM 986 O SER A 63 -5.801 -6.527 -3.411 1.00 0.00 O ATOM 987 CB SER A 63 -7.747 -7.790 -5.771 1.00 0.00 C ATOM 988 OG SER A 63 -8.240 -6.501 -5.438 1.00 0.00 O ATOM 0 H SER A 63 -7.532 -7.503 -3.013 1.00 0.00 H new ATOM 0 HA SER A 63 -6.268 -9.187 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.270 -7.762 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.574 -8.497 -5.839 1.00 0.00 H new ATOM 0 HG SER A 63 -8.991 -6.276 -6.026 1.00 0.00 H new ATOM 994 N PRO A 64 -4.733 -6.985 -5.354 1.00 0.00 N ATOM 995 CA PRO A 64 -3.825 -5.849 -5.241 1.00 0.00 C ATOM 996 C PRO A 64 -4.631 -4.539 -5.134 1.00 0.00 C ATOM 997 O PRO A 64 -4.320 -3.664 -4.324 1.00 0.00 O ATOM 998 CB PRO A 64 -3.034 -5.909 -6.558 1.00 0.00 C ATOM 999 CG PRO A 64 -3.019 -7.350 -6.898 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.375 -7.863 -6.496 1.00 0.00 C ATOM 0 HA PRO A 64 -3.183 -5.881 -4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.513 -5.319 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.024 -5.517 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.840 -7.502 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.226 -7.873 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.096 -7.782 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.340 -8.913 -6.204 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.705 -4.459 -5.917 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.601 -3.312 -5.908 1.00 0.00 C ATOM 1010 C GLU A 65 -7.266 -3.127 -4.536 1.00 0.00 C ATOM 1011 O GLU A 65 -7.294 -2.022 -3.999 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.712 -3.410 -6.979 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.264 -3.639 -8.426 1.00 0.00 C ATOM 1014 CD GLU A 65 -6.840 -5.061 -8.704 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -7.708 -5.898 -9.025 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -5.644 -5.374 -8.599 1.00 0.00 O ATOM 0 H GLU A 65 -5.976 -5.190 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.971 -2.453 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.382 -4.223 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.296 -2.490 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.080 -3.373 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.434 -2.969 -8.652 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.788 -4.203 -3.977 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.485 -4.136 -2.696 1.00 0.00 C ATOM 1025 C GLY A 66 -7.562 -3.892 -1.524 1.00 0.00 C ATOM 1026 O GLY A 66 -7.993 -3.392 -0.501 1.00 0.00 O ATOM 0 H GLY A 66 -7.745 -5.136 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.228 -3.340 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.026 -5.069 -2.535 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.300 -4.253 -1.657 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.310 -3.933 -0.627 1.00 0.00 C ATOM 1032 C ILE A 67 -5.084 -2.415 -0.596 1.00 0.00 C ATOM 1033 O ILE A 67 -4.977 -1.799 0.474 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.976 -4.694 -0.864 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.194 -6.196 -0.641 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.855 -4.165 0.041 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.991 -7.047 -0.957 1.00 0.00 C ATOM 0 H ILE A 67 -5.931 -4.764 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.692 -4.258 0.341 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.662 -4.526 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.479 -6.360 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.031 -6.526 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.938 -4.721 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.689 -3.108 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.141 -4.290 1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.228 -8.095 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.717 -6.915 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.157 -6.747 -0.323 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.068 -1.823 -1.773 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.961 -0.381 -1.916 1.00 0.00 C ATOM 1051 C VAL A 68 -6.224 0.271 -1.363 1.00 0.00 C ATOM 1052 O VAL A 68 -6.168 1.277 -0.646 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.745 0.007 -3.398 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.705 1.515 -3.582 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.458 -0.591 -3.869 1.00 0.00 C ATOM 0 H VAL A 68 -5.129 -2.326 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.098 -0.025 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.582 -0.375 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.552 1.749 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.648 1.947 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.886 1.932 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.294 -0.325 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.636 -0.209 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.505 -1.676 -3.774 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.350 -0.349 -1.664 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.643 0.069 -1.172 1.00 0.00 C ATOM 1067 C LYS A 69 -8.694 0.017 0.339 1.00 0.00 C ATOM 1068 O LYS A 69 -9.234 0.913 0.966 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.704 -0.837 -1.689 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.079 -0.370 -1.313 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.760 0.402 -2.418 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.169 1.809 -2.666 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.928 2.525 -3.721 1.00 0.00 N ATOM 0 H LYS A 69 -7.389 -1.170 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.805 1.092 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.628 -0.901 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.544 -1.842 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.691 -1.233 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.014 0.258 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.696 -0.174 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.818 0.502 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.192 2.386 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.123 1.722 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.512 3.467 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.884 1.984 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.920 2.627 -3.426 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.127 -1.040 0.908 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.087 -1.245 2.350 1.00 0.00 C ATOM 1089 C GLU A 70 -7.443 -0.028 2.996 1.00 0.00 C ATOM 1090 O GLU A 70 -8.021 0.590 3.892 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.261 -2.492 2.671 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.354 -2.954 4.110 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.695 -3.540 4.432 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.917 -4.709 4.125 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.563 -2.835 4.995 1.00 0.00 O ATOM 0 H GLU A 70 -7.678 -1.786 0.376 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.098 -1.381 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.585 -3.304 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.216 -2.291 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.580 -3.697 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.159 -2.111 4.773 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.274 0.323 2.485 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.533 1.489 2.908 1.00 0.00 C ATOM 1104 C ILE A 71 -6.331 2.775 2.677 1.00 0.00 C ATOM 1105 O ILE A 71 -6.374 3.656 3.543 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.170 1.522 2.181 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.249 0.541 2.872 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.558 2.910 2.165 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.010 0.226 2.124 1.00 0.00 C ATOM 0 H ILE A 71 -5.808 -0.209 1.750 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.355 1.425 3.981 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.318 1.243 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.976 0.944 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.795 -0.385 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.602 2.880 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.230 3.598 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.402 3.251 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.411 -0.484 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.268 -0.210 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.437 1.140 1.967 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.955 2.865 1.520 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.800 3.995 1.158 1.00 0.00 C ATOM 1123 C LYS A 72 -8.929 4.216 2.178 1.00 0.00 C ATOM 1124 O LYS A 72 -9.026 5.291 2.781 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.339 3.834 -0.294 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.492 4.765 -0.651 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.702 4.960 -2.135 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.604 5.805 -2.750 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.854 6.098 -4.175 1.00 0.00 N ATOM 0 H LYS A 72 -6.892 2.151 0.794 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.187 4.896 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.520 4.007 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.665 2.803 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.410 4.370 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.314 5.737 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.734 3.989 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.667 5.436 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.517 6.741 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.650 5.287 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.616 7.091 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.265 5.477 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.857 5.933 -4.393 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.724 3.189 2.406 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.853 3.273 3.324 1.00 0.00 C ATOM 1145 C GLU A 73 -10.383 3.529 4.754 1.00 0.00 C ATOM 1146 O GLU A 73 -10.966 4.349 5.481 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.676 1.982 3.278 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.170 1.603 1.893 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.980 2.689 1.244 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.161 2.850 1.595 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.459 3.394 0.362 1.00 0.00 O ATOM 0 H GLU A 73 -9.610 2.276 1.965 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.476 4.110 3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.071 1.165 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.535 2.089 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.315 1.367 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.774 0.699 1.963 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.308 2.857 5.132 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.761 2.932 6.474 1.00 0.00 C ATOM 1160 C TRP A 74 -8.277 4.339 6.773 1.00 0.00 C ATOM 1161 O TRP A 74 -8.668 4.933 7.776 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.608 1.940 6.609 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.045 1.780 7.986 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.496 0.941 8.960 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.901 2.446 8.527 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.695 1.037 10.067 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.709 1.952 9.827 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.021 3.409 8.031 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.669 2.382 10.640 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.992 3.842 8.829 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.818 3.328 10.121 1.00 0.00 C ATOM 0 H TRP A 74 -8.787 2.239 4.510 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.542 2.679 7.191 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.950 0.965 6.261 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.804 2.253 5.942 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.358 0.296 8.872 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.815 0.510 10.932 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.148 3.807 7.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.535 1.990 11.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.307 4.589 8.456 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.995 3.684 10.723 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.470 4.890 5.883 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.903 6.213 6.089 1.00 0.00 C ATOM 1184 C ARG A 75 -7.969 7.293 6.068 1.00 0.00 C ATOM 1185 O ARG A 75 -7.866 8.276 6.795 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.797 6.523 5.091 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.574 5.629 5.221 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.470 6.110 4.349 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.885 6.179 2.951 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.395 7.043 2.078 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.437 7.883 2.444 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.871 7.089 0.846 1.00 0.00 N ATOM 0 H ARG A 75 -7.192 4.442 5.010 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.455 6.206 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.197 6.429 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.490 7.561 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.241 5.610 6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.836 4.606 4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.144 7.095 4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.613 5.443 4.443 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.595 5.522 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.078 7.863 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.059 8.550 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.620 6.456 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.490 7.757 0.177 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.002 7.093 5.275 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.107 8.039 5.204 1.00 0.00 C ATOM 1208 C ALA A 76 -10.868 8.087 6.527 1.00 0.00 C ATOM 1209 O ALA A 76 -11.328 9.142 6.953 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.050 7.673 4.067 1.00 0.00 C ATOM 0 H ALA A 76 -9.103 6.281 4.666 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.693 9.029 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.870 8.390 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.506 7.693 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.451 6.673 4.234 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.944 6.948 7.196 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.681 6.838 8.443 1.00 0.00 C ATOM 1218 C ALA A 77 -10.813 7.314 9.583 1.00 0.00 C ATOM 1219 O ALA A 77 -11.289 7.859 10.581 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.115 5.398 8.671 1.00 0.00 C ATOM 0 H ALA A 77 -10.501 6.081 6.893 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.574 7.461 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.666 5.328 9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.755 5.076 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.235 4.756 8.719 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.531 7.139 9.392 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.516 7.466 10.372 1.00 0.00 C ATOM 1228 C ASN A 78 -8.004 8.891 10.238 1.00 0.00 C ATOM 1229 O ASN A 78 -7.064 9.279 10.929 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.359 6.475 10.269 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.577 5.198 11.067 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.174 5.101 12.223 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.202 4.222 10.467 1.00 0.00 N ATOM 0 H ASN A 78 -9.149 6.755 8.528 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.981 7.392 11.355 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.205 6.217 9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.446 6.959 10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.369 3.344 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.523 4.337 9.506 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.615 9.660 9.348 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.251 11.063 9.172 1.00 0.00 C ATOM 1242 C GLY A 79 -6.821 11.247 8.713 1.00 0.00 C ATOM 1243 O GLY A 79 -6.047 12.018 9.309 1.00 0.00 O ATOM 0 H GLY A 79 -9.365 9.338 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.922 11.519 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.396 11.592 10.114 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.457 10.517 7.700 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.163 10.561 7.145 1.00 0.00 C ATOM 1249 C LYS A 80 -5.211 10.991 5.698 1.00 0.00 C ATOM 1250 O LYS A 80 -6.299 11.184 5.136 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.532 9.207 7.282 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.138 8.866 8.696 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.478 7.524 8.752 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.073 7.157 10.167 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.106 8.116 10.753 1.00 0.00 N ATOM 0 H LYS A 80 -7.081 9.859 7.233 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.563 11.296 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.228 8.452 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.648 9.161 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.460 9.627 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.021 8.870 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.158 6.767 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.597 7.524 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.962 7.115 10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.634 6.159 10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.440 7.606 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.580 8.589 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.618 8.827 11.313 1.00 0.00 H new ATOM 1269 N SER A 81 -4.040 11.116 5.106 1.00 0.00 N ATOM 1270 CA SER A 81 -3.860 11.550 3.758 1.00 0.00 C ATOM 1271 C SER A 81 -4.531 10.599 2.745 1.00 0.00 C ATOM 1272 O SER A 81 -4.895 9.466 3.077 1.00 0.00 O ATOM 1273 CB SER A 81 -2.372 11.563 3.521 1.00 0.00 C ATOM 1274 OG SER A 81 -1.700 12.264 4.555 1.00 0.00 O ATOM 0 H SER A 81 -3.161 10.907 5.580 1.00 0.00 H new ATOM 0 HA SER A 81 -4.318 12.529 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.999 10.540 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.157 12.031 2.560 1.00 0.00 H new ATOM 0 HG SER A 81 -0.736 12.258 4.381 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.697 11.071 1.534 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.227 10.258 0.474 1.00 0.00 C ATOM 1282 C GLY A 82 -4.142 9.938 -0.531 1.00 0.00 C ATOM 1283 O GLY A 82 -2.981 9.700 -0.143 1.00 0.00 O ATOM 0 H GLY A 82 -4.469 12.026 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.637 9.335 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.047 10.780 -0.019 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.503 9.878 -1.784 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.589 9.682 -2.853 1.00 0.00 C ATOM 1289 C PHE A 83 -3.695 10.882 -3.777 1.00 0.00 C ATOM 1290 O PHE A 83 -4.668 11.649 -3.694 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.930 8.405 -3.655 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.894 7.105 -2.885 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.686 6.495 -2.633 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.067 6.474 -2.437 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.622 5.301 -1.954 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.996 5.275 -1.754 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.769 4.688 -1.515 1.00 0.00 C ATOM 0 H PHE A 83 -5.472 9.968 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.583 9.572 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.926 8.524 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.233 8.328 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.774 6.962 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.028 6.928 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.663 4.842 -1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.900 4.797 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.712 3.749 -0.984 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.718 11.049 -4.630 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.730 12.081 -5.632 1.00 0.00 C ATOM 1309 C LYS A 84 -3.795 11.718 -6.644 1.00 0.00 C ATOM 1310 O LYS A 84 -3.924 10.560 -7.002 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.338 12.171 -6.260 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.200 13.136 -7.412 1.00 0.00 C ATOM 1313 CD LYS A 84 0.256 13.419 -7.734 1.00 0.00 C ATOM 1314 CE LYS A 84 1.040 12.185 -8.138 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.479 12.488 -8.341 1.00 0.00 N ATOM 0 H LYS A 84 -1.882 10.465 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.964 13.060 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.627 12.456 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.051 11.178 -6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.694 12.725 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.707 14.069 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.305 14.151 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.731 13.872 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.935 11.420 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.622 11.773 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.041 11.628 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.630 12.822 -9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.776 13.227 -7.672 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.560 12.671 -7.094 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.713 12.339 -7.929 1.00 0.00 C ATOM 1331 C GLN A 85 -5.533 12.700 -9.393 1.00 0.00 C ATOM 1332 O GLN A 85 -6.461 12.606 -10.196 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.056 12.855 -7.344 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.212 14.382 -7.199 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.334 15.042 -6.131 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.030 14.335 -5.063 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -5.947 16.201 -6.272 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.425 13.665 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.771 11.251 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.865 12.490 -7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.193 12.405 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.991 14.844 -8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.255 14.602 -6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.199 16.724 -7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.375 16.639 -5.550 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.349 13.018 -9.743 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.061 13.359 -11.101 1.00 0.00 C ATOM 1348 C GLY A 86 -3.174 14.544 -11.155 1.00 0.00 C ATOM 1349 O GLY A 86 -2.370 14.717 -10.224 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.261 15.336 -12.110 1.00 0.00 O ATOM 0 H GLY A 86 -3.549 13.053 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.585 12.516 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.988 13.565 -11.636 1.00 0.00 H new TER 1354 GLY A 86