USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 920 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 25 GLN : amide:sc= -0.256! K(o=1.4!,f=0.63) USER MOD Set 1.2: A 57 SER OG : rot 159:sc= 1.08 USER MOD Set 1.3: A 58 SER OG : rot -119:sc= 0.578 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= 1.11 (180deg=0.308) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.23) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0427) USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= 1 (180deg=-0.19) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 1.29 (180deg=1.07) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 13:sc= 1.13 USER MOD Single : A 51 TYR OH : rot 79:sc= 0.668 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 1.92 (180deg=1.76) USER MOD Single : A 54 LYS NZ :NH3+ 141:sc= 1.27 (180deg=-0.282!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 170:sc= 0.0272 USER MOD Single : A 65 GLN : amide:sc= -0.724 K(o=-0.72,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00698 (180deg=-0.174) USER MOD Single : A 77 SER OG : rot -120:sc= -0.666 USER MOD Single : A 80 LYS NZ :NH3+ 144:sc= 0.669 (180deg=-0.0297) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.43) USER MOD Single : B 70 LYS NZ :NH3+ -179:sc= 0.614 (180deg=0.584) USER MOD Single : B 75 THR OG1 : rot -77:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.257 12.634 -5.682 1.00 0.00 N ATOM 19 CA ALA A 2 8.694 12.476 -5.656 1.00 0.00 C ATOM 20 C ALA A 2 8.979 11.041 -6.008 1.00 0.00 C ATOM 21 O ALA A 2 9.880 10.719 -6.783 1.00 0.00 O ATOM 22 CB ALA A 2 9.246 12.820 -4.277 1.00 0.00 C ATOM 0 HA ALA A 2 9.175 13.149 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.329 12.695 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.000 13.854 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.804 12.157 -3.533 1.00 0.00 H new ATOM 28 N TYR A 3 8.177 10.186 -5.434 1.00 0.00 N ATOM 29 CA TYR A 3 8.201 8.787 -5.728 1.00 0.00 C ATOM 30 C TYR A 3 7.160 8.501 -6.779 1.00 0.00 C ATOM 31 O TYR A 3 6.133 9.220 -6.861 1.00 0.00 O ATOM 32 CB TYR A 3 7.905 7.959 -4.465 1.00 0.00 C ATOM 33 CG TYR A 3 8.977 8.032 -3.398 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.100 9.146 -2.579 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.867 6.981 -3.208 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.074 9.215 -1.611 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.848 7.038 -2.238 1.00 0.00 C ATOM 38 CZ TYR A 3 10.948 8.161 -1.442 1.00 0.00 C ATOM 39 OH TYR A 3 11.914 8.229 -0.471 1.00 0.00 O ATOM 0 H TYR A 3 7.479 10.450 -4.739 1.00 0.00 H new ATOM 0 HA TYR A 3 9.192 8.511 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.961 8.298 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.768 6.917 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.418 9.974 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.790 6.103 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.155 10.091 -0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.530 6.212 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 3 12.446 7.406 -0.481 1.00 0.00 H new ATOM 49 N PHE A 4 7.434 7.522 -7.604 1.00 0.00 N ATOM 50 CA PHE A 4 6.486 7.066 -8.602 1.00 0.00 C ATOM 51 C PHE A 4 5.534 6.089 -7.928 1.00 0.00 C ATOM 52 O PHE A 4 5.703 5.778 -6.730 1.00 0.00 O ATOM 53 CB PHE A 4 7.202 6.366 -9.767 1.00 0.00 C ATOM 54 CG PHE A 4 8.289 7.176 -10.414 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.990 8.218 -11.274 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.615 6.882 -10.161 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.000 8.952 -11.867 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.626 7.605 -10.746 1.00 0.00 C ATOM 59 CZ PHE A 4 10.322 8.644 -11.602 1.00 0.00 C ATOM 0 H PHE A 4 8.319 7.015 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 4 5.946 7.921 -9.009 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.631 5.432 -9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.463 6.104 -10.524 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.959 8.460 -11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.861 6.070 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.757 9.764 -12.536 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.657 7.361 -10.536 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.114 9.215 -12.064 1.00 0.00 H new ATOM 69 N LEU A 5 4.575 5.573 -8.651 1.00 0.00 N ATOM 70 CA LEU A 5 3.634 4.689 -8.054 1.00 0.00 C ATOM 71 C LEU A 5 3.587 3.361 -8.805 1.00 0.00 C ATOM 72 O LEU A 5 3.538 3.330 -10.029 1.00 0.00 O ATOM 73 CB LEU A 5 2.267 5.366 -8.031 1.00 0.00 C ATOM 74 CG LEU A 5 1.133 4.598 -7.393 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.417 4.318 -5.917 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.143 5.376 -7.550 1.00 0.00 C ATOM 0 H LEU A 5 4.433 5.753 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 5 3.937 4.466 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.369 6.317 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.985 5.596 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 5 1.033 3.635 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.584 3.764 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.330 3.729 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.541 5.261 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.964 4.825 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.040 6.346 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.352 5.522 -8.610 1.00 0.00 H new ATOM 88 N ASP A 6 3.631 2.287 -8.073 1.00 0.00 N ATOM 89 CA ASP A 6 3.532 0.944 -8.648 1.00 0.00 C ATOM 90 C ASP A 6 2.475 0.177 -7.921 1.00 0.00 C ATOM 91 O ASP A 6 2.311 0.330 -6.715 1.00 0.00 O ATOM 92 CB ASP A 6 4.870 0.129 -8.629 1.00 0.00 C ATOM 93 CG ASP A 6 5.837 0.440 -9.775 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.391 0.680 -10.891 1.00 0.00 O ATOM 95 OD2 ASP A 6 7.080 0.431 -9.571 1.00 0.00 O ATOM 0 H ASP A 6 3.736 2.299 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 6 3.279 1.081 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.379 0.318 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.630 -0.934 -8.655 1.00 0.00 H new ATOM 100 N PHE A 7 1.735 -0.599 -8.639 1.00 0.00 N ATOM 101 CA PHE A 7 0.703 -1.439 -8.071 1.00 0.00 C ATOM 102 C PHE A 7 0.790 -2.825 -8.644 1.00 0.00 C ATOM 103 O PHE A 7 0.770 -2.989 -9.863 1.00 0.00 O ATOM 104 CB PHE A 7 -0.693 -0.880 -8.364 1.00 0.00 C ATOM 105 CG PHE A 7 -1.301 0.000 -7.305 1.00 0.00 C ATOM 106 CD1 PHE A 7 -0.993 1.340 -7.212 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.217 -0.529 -6.417 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.586 2.131 -6.246 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.817 0.256 -5.457 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.502 1.587 -5.372 1.00 0.00 C ATOM 0 H PHE A 7 1.821 -0.678 -9.652 1.00 0.00 H new ATOM 0 HA PHE A 7 0.859 -1.465 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.645 -0.312 -9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.367 -1.719 -8.538 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.283 1.775 -7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.468 -1.578 -6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.331 3.178 -6.176 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.533 -0.176 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.970 2.208 -4.622 1.00 0.00 H new ATOM 120 N ASP A 8 0.952 -3.806 -7.782 1.00 0.00 N ATOM 121 CA ASP A 8 0.889 -5.221 -8.188 1.00 0.00 C ATOM 122 C ASP A 8 -0.485 -5.523 -8.795 1.00 0.00 C ATOM 123 O ASP A 8 -1.465 -4.871 -8.434 1.00 0.00 O ATOM 124 CB ASP A 8 1.138 -6.144 -6.981 1.00 0.00 C ATOM 125 CG ASP A 8 0.988 -7.612 -7.329 1.00 0.00 C ATOM 126 OD1 ASP A 8 1.947 -8.220 -7.840 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.105 -8.170 -7.134 1.00 0.00 O ATOM 0 H ASP A 8 1.130 -3.663 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 8 1.665 -5.405 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.141 -5.967 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.439 -5.890 -6.184 1.00 0.00 H new ATOM 132 N GLU A 9 -0.557 -6.500 -9.713 1.00 0.00 N ATOM 133 CA GLU A 9 -1.823 -6.893 -10.352 1.00 0.00 C ATOM 134 C GLU A 9 -2.934 -7.158 -9.358 1.00 0.00 C ATOM 135 O GLU A 9 -4.089 -6.763 -9.591 1.00 0.00 O ATOM 136 CB GLU A 9 -1.682 -8.111 -11.252 1.00 0.00 C ATOM 137 CG GLU A 9 -1.023 -7.858 -12.583 1.00 0.00 C ATOM 138 CD GLU A 9 -1.119 -9.068 -13.471 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.225 -9.388 -13.932 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.097 -9.723 -13.738 1.00 0.00 O ATOM 0 H GLU A 9 0.251 -7.035 -10.031 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.090 -6.029 -10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.109 -8.870 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.674 -8.527 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.496 -7.006 -13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.024 -7.597 -12.430 1.00 0.00 H new ATOM 147 N ARG A 10 -2.600 -7.781 -8.243 1.00 0.00 N ATOM 148 CA ARG A 10 -3.598 -8.130 -7.260 1.00 0.00 C ATOM 149 C ARG A 10 -4.124 -6.868 -6.613 1.00 0.00 C ATOM 150 O ARG A 10 -5.312 -6.756 -6.350 1.00 0.00 O ATOM 151 CB ARG A 10 -3.025 -9.071 -6.205 1.00 0.00 C ATOM 152 CG ARG A 10 -2.373 -10.302 -6.789 1.00 0.00 C ATOM 153 CD ARG A 10 -1.847 -11.234 -5.720 1.00 0.00 C ATOM 154 NE ARG A 10 -0.970 -12.247 -6.300 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.781 -13.486 -5.847 1.00 0.00 C ATOM 156 NH1 ARG A 10 -1.468 -13.943 -4.797 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.098 -14.270 -6.462 1.00 0.00 N ATOM 0 H ARG A 10 -1.648 -8.053 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.415 -8.652 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.292 -8.530 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.824 -9.378 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.095 -10.834 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.553 -10.002 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.302 -10.662 -4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.681 -11.717 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.450 -11.980 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.147 -13.342 -4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.313 -14.894 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.616 -13.921 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.255 -15.221 -6.128 1.00 0.00 H new ATOM 171 N ALA A 11 -3.239 -5.900 -6.445 1.00 0.00 N ATOM 172 CA ALA A 11 -3.564 -4.624 -5.833 1.00 0.00 C ATOM 173 C ALA A 11 -4.407 -3.762 -6.782 1.00 0.00 C ATOM 174 O ALA A 11 -5.211 -2.943 -6.341 1.00 0.00 O ATOM 175 CB ALA A 11 -2.290 -3.902 -5.418 1.00 0.00 C ATOM 0 H ALA A 11 -2.264 -5.980 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.160 -4.807 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.546 -2.946 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.743 -4.513 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.668 -3.729 -6.296 1.00 0.00 H new ATOM 181 N LEU A 12 -4.232 -3.972 -8.086 1.00 0.00 N ATOM 182 CA LEU A 12 -5.015 -3.265 -9.108 1.00 0.00 C ATOM 183 C LEU A 12 -6.470 -3.640 -8.970 1.00 0.00 C ATOM 184 O LEU A 12 -7.356 -2.796 -8.770 1.00 0.00 O ATOM 185 CB LEU A 12 -4.563 -3.644 -10.536 1.00 0.00 C ATOM 186 CG LEU A 12 -3.103 -3.399 -10.935 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.853 -3.963 -12.319 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.786 -1.924 -10.942 1.00 0.00 C ATOM 0 H LEU A 12 -3.551 -4.630 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.863 -2.196 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.771 -4.704 -10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.194 -3.099 -11.238 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.462 -3.894 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.815 -3.788 -12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.053 -5.035 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.511 -3.473 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.745 -1.777 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.434 -1.416 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.950 -1.512 -9.946 1.00 0.00 H new ATOM 200 N LYS A 13 -6.698 -4.922 -9.004 1.00 0.00 N ATOM 201 CA LYS A 13 -8.033 -5.473 -8.987 1.00 0.00 C ATOM 202 C LYS A 13 -8.633 -5.287 -7.607 1.00 0.00 C ATOM 203 O LYS A 13 -9.847 -5.293 -7.440 1.00 0.00 O ATOM 204 CB LYS A 13 -7.979 -6.963 -9.358 1.00 0.00 C ATOM 205 CG LYS A 13 -7.047 -7.267 -10.535 1.00 0.00 C ATOM 206 CD LYS A 13 -7.405 -6.485 -11.790 1.00 0.00 C ATOM 207 CE LYS A 13 -6.276 -6.553 -12.809 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.616 -5.857 -14.065 1.00 0.00 N ATOM 0 H LYS A 13 -5.960 -5.624 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.658 -4.957 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.652 -7.534 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.985 -7.305 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.021 -7.035 -10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.084 -8.334 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.319 -6.887 -12.226 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.606 -5.445 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.376 -6.110 -12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.046 -7.596 -13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.819 -5.929 -14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.459 -6.295 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.810 -4.855 -13.865 1.00 0.00 H new ATOM 222 N GLU A 14 -7.758 -5.058 -6.651 1.00 0.00 N ATOM 223 CA GLU A 14 -8.098 -4.892 -5.274 1.00 0.00 C ATOM 224 C GLU A 14 -8.887 -3.601 -5.067 1.00 0.00 C ATOM 225 O GLU A 14 -9.929 -3.616 -4.427 1.00 0.00 O ATOM 226 CB GLU A 14 -6.838 -4.834 -4.462 1.00 0.00 C ATOM 227 CG GLU A 14 -6.932 -5.507 -3.112 1.00 0.00 C ATOM 228 CD GLU A 14 -7.073 -7.010 -3.193 1.00 0.00 C ATOM 229 OE1 GLU A 14 -6.039 -7.710 -3.293 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.206 -7.534 -3.143 1.00 0.00 O ATOM 0 H GLU A 14 -6.757 -4.981 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.714 -5.734 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.032 -5.299 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.563 -3.790 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.041 -5.265 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.786 -5.099 -2.571 1.00 0.00 H new ATOM 237 N TRP A 15 -8.431 -2.472 -5.652 1.00 0.00 N ATOM 238 CA TRP A 15 -9.165 -1.222 -5.434 1.00 0.00 C ATOM 239 C TRP A 15 -10.467 -1.272 -6.202 1.00 0.00 C ATOM 240 O TRP A 15 -11.440 -0.595 -5.875 1.00 0.00 O ATOM 241 CB TRP A 15 -8.352 0.075 -5.792 1.00 0.00 C ATOM 242 CG TRP A 15 -8.173 0.397 -7.274 1.00 0.00 C ATOM 243 CD1 TRP A 15 -9.139 0.829 -8.149 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.955 0.386 -8.020 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.608 1.023 -9.390 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.271 0.766 -9.342 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.638 0.074 -7.714 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.314 0.845 -10.340 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.692 0.157 -8.710 1.00 0.00 C ATOM 250 CH2 TRP A 15 -5.036 0.537 -10.007 1.00 0.00 C ATOM 0 H TRP A 15 -7.604 -2.405 -6.246 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.355 -1.148 -4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.844 0.924 -5.318 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.363 -0.011 -5.343 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -10.175 0.992 -7.890 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -9.127 1.313 -10.219 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.361 -0.228 -6.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.576 1.141 -11.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.662 -0.077 -8.483 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.267 0.587 -10.764 1.00 0.00 H new ATOM 261 N ARG A 16 -10.475 -2.101 -7.218 1.00 0.00 N ATOM 262 CA ARG A 16 -11.617 -2.238 -8.091 1.00 0.00 C ATOM 263 C ARG A 16 -12.716 -3.116 -7.456 1.00 0.00 C ATOM 264 O ARG A 16 -13.877 -3.050 -7.850 1.00 0.00 O ATOM 265 CB ARG A 16 -11.160 -2.793 -9.442 1.00 0.00 C ATOM 266 CG ARG A 16 -10.042 -1.967 -10.067 1.00 0.00 C ATOM 267 CD ARG A 16 -9.580 -2.490 -11.423 1.00 0.00 C ATOM 268 NE ARG A 16 -10.643 -2.445 -12.436 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.462 -2.121 -13.731 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.238 -1.878 -14.200 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.507 -2.056 -14.548 1.00 0.00 N ATOM 0 H ARG A 16 -9.688 -2.701 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.061 -1.255 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.819 -3.820 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.009 -2.823 -10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.382 -0.938 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.191 -1.948 -9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.731 -1.899 -11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.231 -3.517 -11.313 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.590 -2.677 -12.136 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.432 -1.937 -13.577 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.107 -1.633 -15.182 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.444 -2.251 -14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.373 -1.811 -15.529 1.00 0.00 H new ATOM 285 N LYS A 17 -12.352 -3.911 -6.453 1.00 0.00 N ATOM 286 CA LYS A 17 -13.323 -4.778 -5.779 1.00 0.00 C ATOM 287 C LYS A 17 -13.826 -4.166 -4.468 1.00 0.00 C ATOM 288 O LYS A 17 -14.706 -4.722 -3.804 1.00 0.00 O ATOM 289 CB LYS A 17 -12.770 -6.229 -5.599 1.00 0.00 C ATOM 290 CG LYS A 17 -11.391 -6.331 -4.940 1.00 0.00 C ATOM 291 CD LYS A 17 -11.412 -6.227 -3.415 1.00 0.00 C ATOM 292 CE LYS A 17 -11.693 -7.570 -2.764 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.638 -8.560 -3.096 1.00 0.00 N ATOM 0 H LYS A 17 -11.401 -3.975 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.195 -4.858 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.482 -6.799 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.722 -6.705 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.936 -7.281 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.752 -5.542 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.454 -5.846 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.173 -5.508 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.753 -7.447 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.662 -7.942 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.433 -9.143 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.967 -9.171 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.774 -8.061 -3.391 1.00 0.00 H new ATOM 307 N LEU A 18 -13.279 -3.026 -4.108 1.00 0.00 N ATOM 308 CA LEU A 18 -13.694 -2.349 -2.899 1.00 0.00 C ATOM 309 C LEU A 18 -14.420 -1.048 -3.222 1.00 0.00 C ATOM 310 O LEU A 18 -14.591 -0.706 -4.407 1.00 0.00 O ATOM 311 CB LEU A 18 -12.506 -2.170 -1.909 1.00 0.00 C ATOM 312 CG LEU A 18 -11.218 -1.502 -2.432 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.370 -0.010 -2.637 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.059 -1.787 -1.518 1.00 0.00 C ATOM 0 H LEU A 18 -12.547 -2.549 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.417 -2.979 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.864 -1.586 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.239 -3.155 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.020 -1.940 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.432 0.404 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.160 0.179 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.628 0.463 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.162 -1.306 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.276 -1.399 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.897 -2.863 -1.460 1.00 0.00 H new ATOM 326 N GLY A 19 -14.857 -0.353 -2.193 1.00 0.00 N ATOM 327 CA GLY A 19 -15.607 0.877 -2.353 1.00 0.00 C ATOM 328 C GLY A 19 -14.849 1.967 -3.093 1.00 0.00 C ATOM 329 O GLY A 19 -13.648 2.172 -2.871 1.00 0.00 O ATOM 0 H GLY A 19 -14.703 -0.624 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.530 0.661 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.891 1.249 -1.369 1.00 0.00 H new ATOM 333 N SER A 20 -15.550 2.687 -3.937 1.00 0.00 N ATOM 334 CA SER A 20 -14.950 3.711 -4.744 1.00 0.00 C ATOM 335 C SER A 20 -14.535 4.900 -3.868 1.00 0.00 C ATOM 336 O SER A 20 -13.488 5.503 -4.093 1.00 0.00 O ATOM 337 CB SER A 20 -15.901 4.136 -5.884 1.00 0.00 C ATOM 338 OG SER A 20 -15.240 4.967 -6.838 1.00 0.00 O ATOM 0 H SER A 20 -16.554 2.575 -4.080 1.00 0.00 H new ATOM 0 HA SER A 20 -14.049 3.313 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.292 3.249 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.755 4.669 -5.466 1.00 0.00 H new ATOM 0 HG SER A 20 -15.870 5.217 -7.546 1.00 0.00 H new ATOM 344 N THR A 21 -15.314 5.191 -2.838 1.00 0.00 N ATOM 345 CA THR A 21 -14.977 6.270 -1.934 1.00 0.00 C ATOM 346 C THR A 21 -13.756 5.837 -1.109 1.00 0.00 C ATOM 347 O THR A 21 -12.873 6.642 -0.787 1.00 0.00 O ATOM 348 CB THR A 21 -16.147 6.550 -0.985 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.383 6.537 -1.725 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.987 7.903 -0.307 1.00 0.00 C ATOM 0 H THR A 21 -16.177 4.697 -2.611 1.00 0.00 H new ATOM 0 HA THR A 21 -14.761 7.174 -2.503 1.00 0.00 H new ATOM 0 HB THR A 21 -16.159 5.774 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.130 6.714 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.830 8.077 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.061 7.915 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.955 8.687 -1.063 1.00 0.00 H new ATOM 358 N VAL A 22 -13.709 4.541 -0.811 1.00 0.00 N ATOM 359 CA VAL A 22 -12.619 3.937 -0.070 1.00 0.00 C ATOM 360 C VAL A 22 -11.303 4.097 -0.818 1.00 0.00 C ATOM 361 O VAL A 22 -10.310 4.551 -0.243 1.00 0.00 O ATOM 362 CB VAL A 22 -12.887 2.435 0.224 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.687 1.788 0.899 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.120 2.273 1.099 1.00 0.00 C ATOM 0 H VAL A 22 -14.436 3.879 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.549 4.459 0.884 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.060 1.936 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.902 0.737 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.817 1.866 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.481 2.297 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.291 1.214 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.967 2.796 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.986 2.693 0.588 1.00 0.00 H new ATOM 374 N ARG A 23 -11.307 3.774 -2.109 1.00 0.00 N ATOM 375 CA ARG A 23 -10.084 3.861 -2.896 1.00 0.00 C ATOM 376 C ARG A 23 -9.594 5.298 -3.017 1.00 0.00 C ATOM 377 O ARG A 23 -8.398 5.539 -3.043 1.00 0.00 O ATOM 378 CB ARG A 23 -10.208 3.211 -4.292 1.00 0.00 C ATOM 379 CG ARG A 23 -11.133 3.921 -5.261 1.00 0.00 C ATOM 380 CD ARG A 23 -11.113 3.261 -6.621 1.00 0.00 C ATOM 381 NE ARG A 23 -11.953 3.962 -7.601 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.537 4.391 -8.814 1.00 0.00 C ATOM 383 NH1 ARG A 23 -10.231 4.347 -9.147 1.00 0.00 N ATOM 384 NH2 ARG A 23 -12.417 4.887 -9.671 1.00 0.00 N ATOM 0 H ARG A 23 -12.128 3.455 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.340 3.285 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.215 3.157 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.558 2.186 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.149 3.917 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.833 4.964 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.087 3.224 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.455 2.230 -6.526 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.925 4.139 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.547 3.988 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.927 4.673 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.403 4.944 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.109 5.212 -10.587 1.00 0.00 H new ATOM 398 N GLU A 24 -10.513 6.254 -3.049 1.00 0.00 N ATOM 399 CA GLU A 24 -10.116 7.638 -3.174 1.00 0.00 C ATOM 400 C GLU A 24 -9.533 8.182 -1.877 1.00 0.00 C ATOM 401 O GLU A 24 -8.659 9.040 -1.904 1.00 0.00 O ATOM 402 CB GLU A 24 -11.230 8.512 -3.744 1.00 0.00 C ATOM 403 CG GLU A 24 -11.674 8.032 -5.112 1.00 0.00 C ATOM 404 CD GLU A 24 -12.487 9.036 -5.876 1.00 0.00 C ATOM 405 OE1 GLU A 24 -11.888 9.923 -6.534 1.00 0.00 O ATOM 406 OE2 GLU A 24 -13.722 8.937 -5.884 1.00 0.00 O ATOM 0 H GLU A 24 -11.519 6.095 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.310 7.674 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.081 8.507 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.884 9.543 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.793 7.771 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.259 7.120 -4.994 1.00 0.00 H new ATOM 413 N GLN A 25 -9.987 7.653 -0.746 1.00 0.00 N ATOM 414 CA GLN A 25 -9.398 8.007 0.542 1.00 0.00 C ATOM 415 C GLN A 25 -7.955 7.501 0.583 1.00 0.00 C ATOM 416 O GLN A 25 -7.037 8.207 1.018 1.00 0.00 O ATOM 417 CB GLN A 25 -10.190 7.397 1.699 1.00 0.00 C ATOM 418 CG GLN A 25 -11.610 7.912 1.844 1.00 0.00 C ATOM 419 CD GLN A 25 -12.344 7.239 2.989 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.295 7.698 4.132 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.048 6.184 2.690 1.00 0.00 N ATOM 0 H GLN A 25 -10.754 6.983 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.422 9.091 0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.223 6.316 1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.653 7.588 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.590 8.989 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.154 7.742 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.062 5.835 1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.585 5.707 3.414 1.00 0.00 H new ATOM 430 N LEU A 26 -7.767 6.287 0.073 1.00 0.00 N ATOM 431 CA LEU A 26 -6.454 5.662 -0.023 1.00 0.00 C ATOM 432 C LEU A 26 -5.528 6.483 -0.907 1.00 0.00 C ATOM 433 O LEU A 26 -4.359 6.645 -0.593 1.00 0.00 O ATOM 434 CB LEU A 26 -6.572 4.236 -0.567 1.00 0.00 C ATOM 435 CG LEU A 26 -7.328 3.237 0.314 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.518 1.930 -0.420 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.576 2.996 1.616 1.00 0.00 C ATOM 0 H LEU A 26 -8.526 5.708 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.029 5.619 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.066 4.279 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.567 3.850 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.306 3.658 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.057 1.229 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.090 2.104 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.545 1.512 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.128 2.284 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.587 2.595 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.474 3.937 2.157 1.00 0.00 H new ATOM 449 N LYS A 27 -6.076 7.037 -1.987 1.00 0.00 N ATOM 450 CA LYS A 27 -5.310 7.873 -2.915 1.00 0.00 C ATOM 451 C LYS A 27 -4.699 9.082 -2.219 1.00 0.00 C ATOM 452 O LYS A 27 -3.622 9.525 -2.584 1.00 0.00 O ATOM 453 CB LYS A 27 -6.160 8.325 -4.104 1.00 0.00 C ATOM 454 CG LYS A 27 -6.581 7.193 -5.033 1.00 0.00 C ATOM 455 CD LYS A 27 -7.457 7.689 -6.180 1.00 0.00 C ATOM 456 CE LYS A 27 -6.742 8.727 -7.033 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.555 9.154 -8.179 1.00 0.00 N ATOM 0 H LYS A 27 -7.056 6.921 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.498 7.251 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.053 8.825 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.599 9.063 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.693 6.708 -5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.123 6.439 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.749 6.845 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.374 8.120 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.497 9.594 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.799 8.314 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.156 10.026 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.555 8.406 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.530 9.333 -7.865 1.00 0.00 H new ATOM 471 N LYS A 28 -5.366 9.597 -1.205 1.00 0.00 N ATOM 472 CA LYS A 28 -4.821 10.725 -0.464 1.00 0.00 C ATOM 473 C LYS A 28 -3.700 10.304 0.449 1.00 0.00 C ATOM 474 O LYS A 28 -2.749 11.038 0.653 1.00 0.00 O ATOM 475 CB LYS A 28 -5.887 11.563 0.252 1.00 0.00 C ATOM 476 CG LYS A 28 -6.554 12.568 -0.676 1.00 0.00 C ATOM 477 CD LYS A 28 -7.361 11.905 -1.771 1.00 0.00 C ATOM 478 CE LYS A 28 -7.428 12.774 -3.005 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.985 14.120 -2.735 1.00 0.00 N ATOM 0 H LYS A 28 -6.272 9.262 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.392 11.396 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.645 10.901 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.429 12.092 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.206 13.218 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.791 13.203 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.914 10.944 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.370 11.702 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.427 12.878 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.039 12.278 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.149 14.615 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.885 14.027 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.313 14.665 -2.158 1.00 0.00 H new ATOM 493 N LYS A 29 -3.764 9.091 0.927 1.00 0.00 N ATOM 494 CA LYS A 29 -2.687 8.559 1.746 1.00 0.00 C ATOM 495 C LYS A 29 -1.528 8.166 0.876 1.00 0.00 C ATOM 496 O LYS A 29 -0.416 7.976 1.342 1.00 0.00 O ATOM 497 CB LYS A 29 -3.151 7.405 2.659 1.00 0.00 C ATOM 498 CG LYS A 29 -3.805 7.889 3.951 1.00 0.00 C ATOM 499 CD LYS A 29 -4.996 8.788 3.677 1.00 0.00 C ATOM 500 CE LYS A 29 -5.386 9.580 4.891 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.257 10.403 5.397 1.00 0.00 N ATOM 0 H LYS A 29 -4.541 8.449 0.770 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.356 9.348 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.858 6.780 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.294 6.778 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.126 7.030 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.072 8.430 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.757 9.469 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.841 8.182 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.228 10.228 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.722 8.902 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.613 11.333 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.814 9.924 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.553 10.529 4.642 1.00 0.00 H new ATOM 515 N LEU A 30 -1.788 8.103 -0.401 1.00 0.00 N ATOM 516 CA LEU A 30 -0.769 7.794 -1.345 1.00 0.00 C ATOM 517 C LEU A 30 -0.108 9.070 -1.864 1.00 0.00 C ATOM 518 O LEU A 30 1.063 9.075 -2.183 1.00 0.00 O ATOM 519 CB LEU A 30 -1.299 6.929 -2.487 1.00 0.00 C ATOM 520 CG LEU A 30 -1.822 5.534 -2.101 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.372 4.813 -3.319 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.724 4.699 -1.448 1.00 0.00 C ATOM 0 H LEU A 30 -2.710 8.265 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.007 7.207 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.105 7.472 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.502 6.805 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.627 5.667 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.737 3.829 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.192 5.392 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.583 4.700 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.120 3.718 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.106 4.580 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.372 5.201 -0.547 1.00 0.00 H new ATOM 534 N VAL A 31 -0.839 10.174 -1.890 1.00 0.00 N ATOM 535 CA VAL A 31 -0.262 11.427 -2.369 1.00 0.00 C ATOM 536 C VAL A 31 0.726 11.974 -1.334 1.00 0.00 C ATOM 537 O VAL A 31 1.679 12.674 -1.672 1.00 0.00 O ATOM 538 CB VAL A 31 -1.344 12.502 -2.745 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.038 13.089 -1.529 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.756 13.598 -3.625 1.00 0.00 C ATOM 0 H VAL A 31 -1.813 10.232 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 31 0.269 11.205 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.109 11.979 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.775 13.825 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.538 12.294 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.301 13.570 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.531 14.325 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.055 14.095 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.371 13.158 -4.545 1.00 0.00 H new ATOM 550 N GLU A 32 0.537 11.576 -0.088 1.00 0.00 N ATOM 551 CA GLU A 32 1.393 12.023 0.974 1.00 0.00 C ATOM 552 C GLU A 32 2.530 11.027 1.142 1.00 0.00 C ATOM 553 O GLU A 32 3.638 11.374 1.565 1.00 0.00 O ATOM 554 CB GLU A 32 0.579 12.229 2.274 1.00 0.00 C ATOM 555 CG GLU A 32 -0.237 11.020 2.713 1.00 0.00 C ATOM 556 CD GLU A 32 -1.119 11.295 3.926 1.00 0.00 C ATOM 557 OE1 GLU A 32 -0.590 11.395 5.044 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.363 11.424 3.776 1.00 0.00 O ATOM 0 H GLU A 32 -0.207 10.942 0.204 1.00 0.00 H new ATOM 0 HA GLU A 32 1.829 12.992 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.265 12.498 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.095 13.074 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.864 10.693 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.440 10.198 2.944 1.00 0.00 H new ATOM 565 N VAL A 33 2.276 9.804 0.715 1.00 0.00 N ATOM 566 CA VAL A 33 3.248 8.753 0.807 1.00 0.00 C ATOM 567 C VAL A 33 4.295 8.922 -0.307 1.00 0.00 C ATOM 568 O VAL A 33 5.444 8.557 -0.162 1.00 0.00 O ATOM 569 CB VAL A 33 2.563 7.353 0.737 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.445 6.782 -0.665 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.219 6.399 1.648 1.00 0.00 C ATOM 0 H VAL A 33 1.390 9.521 0.297 1.00 0.00 H new ATOM 0 HA VAL A 33 3.752 8.816 1.771 1.00 0.00 H new ATOM 0 HB VAL A 33 1.537 7.514 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.958 5.808 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.853 7.456 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.439 6.671 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.723 5.431 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.267 6.290 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.154 6.769 2.671 1.00 0.00 H new ATOM 581 N LEU A 34 3.884 9.552 -1.396 1.00 0.00 N ATOM 582 CA LEU A 34 4.771 9.801 -2.531 1.00 0.00 C ATOM 583 C LEU A 34 5.743 10.937 -2.251 1.00 0.00 C ATOM 584 O LEU A 34 6.592 11.266 -3.092 1.00 0.00 O ATOM 585 CB LEU A 34 3.990 10.048 -3.823 1.00 0.00 C ATOM 586 CG LEU A 34 3.150 8.875 -4.339 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.435 9.262 -5.611 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.013 7.654 -4.589 1.00 0.00 C ATOM 0 H LEU A 34 2.935 9.904 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 34 5.359 8.894 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.329 10.900 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.697 10.332 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 34 2.415 8.628 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.842 8.419 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.779 10.110 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.167 9.536 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.391 6.837 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.773 7.892 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.497 7.354 -3.659 1.00 0.00 H new ATOM 600 N GLU A 35 5.566 11.566 -1.110 1.00 0.00 N ATOM 601 CA GLU A 35 6.463 12.589 -0.619 1.00 0.00 C ATOM 602 C GLU A 35 7.576 11.914 0.193 1.00 0.00 C ATOM 603 O GLU A 35 8.776 12.217 0.036 1.00 0.00 O ATOM 604 CB GLU A 35 5.673 13.561 0.260 1.00 0.00 C ATOM 605 CG GLU A 35 6.502 14.622 0.955 1.00 0.00 C ATOM 606 CD GLU A 35 5.661 15.505 1.831 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.249 15.069 2.922 1.00 0.00 O ATOM 608 OE2 GLU A 35 5.404 16.670 1.450 1.00 0.00 O ATOM 0 H GLU A 35 4.781 11.378 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 35 6.908 13.143 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.922 14.055 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.137 12.988 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.274 14.143 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.012 15.231 0.209 1.00 0.00 H new ATOM 615 N SER A 36 7.166 10.981 1.023 1.00 0.00 N ATOM 616 CA SER A 36 8.036 10.223 1.878 1.00 0.00 C ATOM 617 C SER A 36 7.229 9.034 2.405 1.00 0.00 C ATOM 618 O SER A 36 6.308 9.207 3.195 1.00 0.00 O ATOM 619 CB SER A 36 8.571 11.096 3.040 1.00 0.00 C ATOM 620 OG SER A 36 9.439 10.357 3.902 1.00 0.00 O ATOM 0 H SER A 36 6.184 10.725 1.120 1.00 0.00 H new ATOM 0 HA SER A 36 8.908 9.874 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.106 11.954 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.733 11.487 3.617 1.00 0.00 H new ATOM 0 HG SER A 36 9.759 10.940 4.622 1.00 0.00 H new ATOM 626 N PRO A 37 7.518 7.831 1.934 1.00 0.00 N ATOM 627 CA PRO A 37 6.773 6.652 2.309 1.00 0.00 C ATOM 628 C PRO A 37 7.387 5.914 3.490 1.00 0.00 C ATOM 629 O PRO A 37 6.895 4.881 3.916 1.00 0.00 O ATOM 630 CB PRO A 37 6.838 5.819 1.041 1.00 0.00 C ATOM 631 CG PRO A 37 8.144 6.178 0.405 1.00 0.00 C ATOM 632 CD PRO A 37 8.558 7.517 0.954 1.00 0.00 C ATOM 0 HA PRO A 37 5.761 6.880 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.789 4.754 1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.002 6.044 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.899 5.423 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.044 6.222 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.543 7.472 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.609 8.272 0.170 1.00 0.00 H new ATOM 640 N ARG A 38 8.454 6.447 4.020 1.00 0.00 N ATOM 641 CA ARG A 38 9.105 5.824 5.136 1.00 0.00 C ATOM 642 C ARG A 38 8.515 6.355 6.414 1.00 0.00 C ATOM 643 O ARG A 38 9.019 7.316 7.012 1.00 0.00 O ATOM 644 CB ARG A 38 10.610 6.031 5.092 1.00 0.00 C ATOM 645 CG ARG A 38 11.273 5.419 3.874 1.00 0.00 C ATOM 646 CD ARG A 38 12.755 5.740 3.822 1.00 0.00 C ATOM 647 NE ARG A 38 12.994 7.186 3.805 1.00 0.00 N ATOM 648 CZ ARG A 38 13.694 7.855 2.884 1.00 0.00 C ATOM 649 NH1 ARG A 38 14.353 7.204 1.927 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.776 9.177 2.953 1.00 0.00 N ATOM 0 H ARG A 38 8.890 7.311 3.696 1.00 0.00 H new ATOM 0 HA ARG A 38 8.937 4.748 5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.822 7.100 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.053 5.602 5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.135 4.338 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.788 5.790 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.254 5.298 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.195 5.288 2.933 1.00 0.00 H new ATOM 0 HE ARG A 38 12.589 7.732 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.326 6.185 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.884 7.725 1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.306 9.678 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.309 9.692 2.252 1.00 0.00 H new ATOM 664 N ILE A 39 7.392 5.811 6.768 1.00 0.00 N ATOM 665 CA ILE A 39 6.708 6.202 7.953 1.00 0.00 C ATOM 666 C ILE A 39 6.922 5.107 8.962 1.00 0.00 C ATOM 667 O ILE A 39 6.209 4.109 8.970 1.00 0.00 O ATOM 668 CB ILE A 39 5.191 6.395 7.693 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.975 7.323 6.482 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.518 6.981 8.931 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.531 7.447 6.051 1.00 0.00 C ATOM 0 H ILE A 39 6.924 5.078 6.236 1.00 0.00 H new ATOM 0 HA ILE A 39 7.094 7.156 8.311 1.00 0.00 H new ATOM 0 HB ILE A 39 4.744 5.425 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.357 8.315 6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.563 6.951 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.453 7.113 8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.653 6.303 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.966 7.946 9.166 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.463 8.117 5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.148 6.465 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.939 7.849 6.873 1.00 0.00 H new ATOM 683 N GLU A 40 7.913 5.279 9.799 1.00 0.00 N ATOM 684 CA GLU A 40 8.328 4.239 10.717 1.00 0.00 C ATOM 685 C GLU A 40 7.325 4.057 11.870 1.00 0.00 C ATOM 686 O GLU A 40 7.406 3.120 12.650 1.00 0.00 O ATOM 687 CB GLU A 40 9.789 4.469 11.164 1.00 0.00 C ATOM 688 CG GLU A 40 10.038 5.628 12.106 1.00 0.00 C ATOM 689 CD GLU A 40 9.866 5.221 13.542 1.00 0.00 C ATOM 690 OE1 GLU A 40 10.688 4.393 14.030 1.00 0.00 O ATOM 691 OE2 GLU A 40 8.947 5.717 14.201 1.00 0.00 O ATOM 0 H GLU A 40 8.456 6.140 9.867 1.00 0.00 H new ATOM 0 HA GLU A 40 8.319 3.280 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.145 3.558 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.398 4.618 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.047 6.011 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.351 6.441 11.873 1.00 0.00 H new ATOM 698 N ALA A 41 6.362 4.948 11.938 1.00 0.00 N ATOM 699 CA ALA A 41 5.266 4.813 12.879 1.00 0.00 C ATOM 700 C ALA A 41 4.232 3.814 12.330 1.00 0.00 C ATOM 701 O ALA A 41 3.277 3.442 13.005 1.00 0.00 O ATOM 702 CB ALA A 41 4.625 6.162 13.133 1.00 0.00 C ATOM 0 H ALA A 41 6.313 5.780 11.350 1.00 0.00 H new ATOM 0 HA ALA A 41 5.650 4.435 13.826 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.804 6.047 13.841 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.367 6.845 13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.242 6.565 12.195 1.00 0.00 H new ATOM 708 N ASN A 42 4.438 3.393 11.092 1.00 0.00 N ATOM 709 CA ASN A 42 3.552 2.450 10.418 1.00 0.00 C ATOM 710 C ASN A 42 4.350 1.313 9.799 1.00 0.00 C ATOM 711 O ASN A 42 3.869 0.625 8.902 1.00 0.00 O ATOM 712 CB ASN A 42 2.719 3.159 9.330 1.00 0.00 C ATOM 713 CG ASN A 42 1.592 4.024 9.876 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.475 3.557 10.072 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.860 5.282 10.108 1.00 0.00 N ATOM 0 H ASN A 42 5.228 3.696 10.522 1.00 0.00 H new ATOM 0 HA ASN A 42 2.872 2.039 11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.381 3.781 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.296 2.407 8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.131 5.902 10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.798 5.644 9.936 1.00 0.00 H new ATOM 722 N LYS A 43 5.560 1.105 10.299 1.00 0.00 N ATOM 723 CA LYS A 43 6.437 0.043 9.797 1.00 0.00 C ATOM 724 C LYS A 43 5.946 -1.309 10.254 1.00 0.00 C ATOM 725 O LYS A 43 5.393 -1.438 11.366 1.00 0.00 O ATOM 726 CB LYS A 43 7.897 0.270 10.246 1.00 0.00 C ATOM 727 CG LYS A 43 8.116 0.245 11.756 1.00 0.00 C ATOM 728 CD LYS A 43 9.497 0.764 12.121 1.00 0.00 C ATOM 729 CE LYS A 43 9.675 0.870 13.632 1.00 0.00 C ATOM 730 NZ LYS A 43 10.883 1.651 14.003 1.00 0.00 N ATOM 0 H LYS A 43 5.963 1.658 11.056 1.00 0.00 H new ATOM 0 HA LYS A 43 6.412 0.071 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.525 -0.495 9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.235 1.232 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.355 0.852 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.998 -0.773 12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.257 0.099 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.651 1.743 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.793 1.340 14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.747 -0.131 14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.177 1.398 14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.653 1.435 13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.665 2.667 13.963 1.00 0.00 H new ATOM 744 N LEU A 44 6.128 -2.303 9.408 1.00 0.00 N ATOM 745 CA LEU A 44 5.728 -3.632 9.728 1.00 0.00 C ATOM 746 C LEU A 44 6.642 -4.243 10.768 1.00 0.00 C ATOM 747 O LEU A 44 7.768 -3.782 10.998 1.00 0.00 O ATOM 748 CB LEU A 44 5.662 -4.515 8.489 1.00 0.00 C ATOM 749 CG LEU A 44 4.588 -4.178 7.451 1.00 0.00 C ATOM 750 CD1 LEU A 44 4.539 -5.247 6.377 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.230 -4.031 8.106 1.00 0.00 C ATOM 0 H LEU A 44 6.556 -2.199 8.488 1.00 0.00 H new ATOM 0 HA LEU A 44 4.724 -3.572 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.633 -4.479 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.508 -5.544 8.814 1.00 0.00 H new ATOM 0 HG LEU A 44 4.849 -3.226 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.771 -4.994 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.507 -5.308 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.304 -6.209 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.484 -3.792 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.960 -4.965 8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.267 -3.230 8.844 1.00 0.00 H new ATOM 763 N ARG A 45 6.170 -5.312 11.353 1.00 0.00 N ATOM 764 CA ARG A 45 6.836 -5.960 12.464 1.00 0.00 C ATOM 765 C ARG A 45 8.057 -6.771 12.014 1.00 0.00 C ATOM 766 O ARG A 45 8.974 -7.024 12.803 1.00 0.00 O ATOM 767 CB ARG A 45 5.808 -6.815 13.207 1.00 0.00 C ATOM 768 CG ARG A 45 6.225 -7.292 14.577 1.00 0.00 C ATOM 769 CD ARG A 45 5.049 -7.919 15.304 1.00 0.00 C ATOM 770 NE ARG A 45 5.375 -8.271 16.690 1.00 0.00 N ATOM 771 CZ ARG A 45 4.496 -8.285 17.712 1.00 0.00 C ATOM 772 NH1 ARG A 45 3.221 -7.939 17.505 1.00 0.00 N ATOM 773 NH2 ARG A 45 4.898 -8.628 18.933 1.00 0.00 N ATOM 0 H ARG A 45 5.302 -5.767 11.072 1.00 0.00 H new ATOM 0 HA ARG A 45 7.232 -5.204 13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.888 -6.240 13.307 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.575 -7.686 12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.032 -8.019 14.485 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.614 -6.455 15.157 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.208 -7.226 15.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.730 -8.814 14.770 1.00 0.00 H new ATOM 0 HE ARG A 45 6.341 -8.525 16.896 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.912 -7.664 16.573 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.557 -7.950 18.279 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.872 -8.881 19.097 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.232 -8.638 19.705 1.00 0.00 H new ATOM 787 N GLY A 46 8.082 -7.145 10.758 1.00 0.00 N ATOM 788 CA GLY A 46 9.202 -7.908 10.241 1.00 0.00 C ATOM 789 C GLY A 46 9.692 -7.381 8.917 1.00 0.00 C ATOM 790 O GLY A 46 10.455 -8.034 8.227 1.00 0.00 O ATOM 0 H GLY A 46 7.350 -6.939 10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.018 -7.885 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.906 -8.951 10.127 1.00 0.00 H new ATOM 794 N MET A 47 9.264 -6.195 8.568 1.00 0.00 N ATOM 795 CA MET A 47 9.634 -5.590 7.298 1.00 0.00 C ATOM 796 C MET A 47 9.880 -4.113 7.513 1.00 0.00 C ATOM 797 O MET A 47 8.935 -3.346 7.599 1.00 0.00 O ATOM 798 CB MET A 47 8.521 -5.749 6.239 1.00 0.00 C ATOM 799 CG MET A 47 8.242 -7.154 5.729 1.00 0.00 C ATOM 800 SD MET A 47 9.548 -7.810 4.680 1.00 0.00 S ATOM 801 CE MET A 47 8.799 -9.374 4.202 1.00 0.00 C ATOM 0 H MET A 47 8.653 -5.618 9.146 1.00 0.00 H new ATOM 0 HA MET A 47 10.529 -6.094 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.597 -5.352 6.659 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.777 -5.124 5.384 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.102 -7.820 6.581 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.306 -7.150 5.170 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.478 -9.917 3.544 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.602 -9.971 5.093 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.862 -9.184 3.679 1.00 0.00 H new ATOM 811 N PRO A 48 11.138 -3.691 7.640 1.00 0.00 N ATOM 812 CA PRO A 48 11.475 -2.273 7.854 1.00 0.00 C ATOM 813 C PRO A 48 11.229 -1.426 6.599 1.00 0.00 C ATOM 814 O PRO A 48 11.091 -0.209 6.675 1.00 0.00 O ATOM 815 CB PRO A 48 12.981 -2.303 8.185 1.00 0.00 C ATOM 816 CG PRO A 48 13.283 -3.733 8.483 1.00 0.00 C ATOM 817 CD PRO A 48 12.344 -4.535 7.639 1.00 0.00 C ATOM 0 HA PRO A 48 10.862 -1.824 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.576 -1.940 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.210 -1.665 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.320 -3.971 8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.139 -3.950 9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.732 -4.692 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.153 -5.520 8.064 1.00 0.00 H new ATOM 825 N ASP A 49 11.161 -2.092 5.453 1.00 0.00 N ATOM 826 CA ASP A 49 10.964 -1.416 4.167 1.00 0.00 C ATOM 827 C ASP A 49 9.515 -1.449 3.757 1.00 0.00 C ATOM 828 O ASP A 49 9.152 -0.934 2.703 1.00 0.00 O ATOM 829 CB ASP A 49 11.779 -2.080 3.052 1.00 0.00 C ATOM 830 CG ASP A 49 13.257 -2.100 3.306 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.936 -1.084 3.061 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.772 -3.138 3.754 1.00 0.00 O ATOM 0 H ASP A 49 11.239 -3.107 5.383 1.00 0.00 H new ATOM 0 HA ASP A 49 11.296 -0.387 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.429 -3.104 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.589 -1.556 2.115 1.00 0.00 H new ATOM 837 N CYS A 50 8.683 -2.042 4.566 1.00 0.00 N ATOM 838 CA CYS A 50 7.303 -2.178 4.216 1.00 0.00 C ATOM 839 C CYS A 50 6.466 -1.561 5.306 1.00 0.00 C ATOM 840 O CYS A 50 6.740 -1.753 6.497 1.00 0.00 O ATOM 841 CB CYS A 50 6.953 -3.650 3.997 1.00 0.00 C ATOM 842 SG CYS A 50 5.337 -3.952 3.261 1.00 0.00 S ATOM 0 H CYS A 50 8.939 -2.438 5.471 1.00 0.00 H new ATOM 0 HA CYS A 50 7.098 -1.658 3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.715 -4.097 3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.999 -4.165 4.957 1.00 0.00 H new ATOM 0 HG CYS A 50 4.855 -2.837 2.799 1.00 0.00 H new ATOM 848 N TYR A 51 5.488 -0.801 4.913 1.00 0.00 N ATOM 849 CA TYR A 51 4.678 -0.073 5.840 1.00 0.00 C ATOM 850 C TYR A 51 3.226 -0.296 5.477 1.00 0.00 C ATOM 851 O TYR A 51 2.911 -0.652 4.324 1.00 0.00 O ATOM 852 CB TYR A 51 5.014 1.434 5.762 1.00 0.00 C ATOM 853 CG TYR A 51 6.503 1.744 5.853 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.129 1.930 7.065 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.274 1.824 4.710 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.485 2.190 7.138 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.624 2.084 4.774 1.00 0.00 C ATOM 858 CZ TYR A 51 9.221 2.263 5.985 1.00 0.00 C ATOM 859 OH TYR A 51 10.568 2.522 6.045 1.00 0.00 O ATOM 0 H TYR A 51 5.229 -0.669 3.935 1.00 0.00 H new ATOM 0 HA TYR A 51 4.868 -0.418 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.627 1.834 4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.496 1.953 6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.550 1.872 7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.808 1.680 3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.960 2.334 8.097 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.208 2.146 3.867 1.00 0.00 H new ATOM 0 HH TYR A 51 11.049 1.701 6.280 1.00 0.00 H new ATOM 869 N LYS A 52 2.356 -0.105 6.426 1.00 0.00 N ATOM 870 CA LYS A 52 0.950 -0.267 6.205 1.00 0.00 C ATOM 871 C LYS A 52 0.218 0.965 6.688 1.00 0.00 C ATOM 872 O LYS A 52 0.652 1.608 7.627 1.00 0.00 O ATOM 873 CB LYS A 52 0.423 -1.589 6.871 1.00 0.00 C ATOM 874 CG LYS A 52 0.536 -1.677 8.406 1.00 0.00 C ATOM 875 CD LYS A 52 -0.552 -0.877 9.100 1.00 0.00 C ATOM 876 CE LYS A 52 -0.351 -0.782 10.594 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.436 -2.087 11.277 1.00 0.00 N ATOM 0 H LYS A 52 2.603 0.168 7.377 1.00 0.00 H new ATOM 0 HA LYS A 52 0.757 -0.370 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.625 -1.715 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.968 -2.429 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.473 -2.720 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.513 -1.310 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.582 0.128 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.519 -1.337 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.623 -0.337 10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.101 -0.111 11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.256 -1.959 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.386 -2.489 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.274 -2.734 10.879 1.00 0.00 H new ATOM 891 N ILE A 53 -0.840 1.316 6.029 1.00 0.00 N ATOM 892 CA ILE A 53 -1.671 2.410 6.455 1.00 0.00 C ATOM 893 C ILE A 53 -3.095 1.911 6.448 1.00 0.00 C ATOM 894 O ILE A 53 -3.461 1.102 5.596 1.00 0.00 O ATOM 895 CB ILE A 53 -1.546 3.674 5.548 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.085 4.158 5.488 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.438 4.786 6.102 1.00 0.00 C ATOM 898 CD1 ILE A 53 0.150 5.327 4.544 1.00 0.00 C ATOM 0 H ILE A 53 -1.158 0.854 5.177 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.349 2.727 7.447 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.864 3.416 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.231 4.447 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.549 3.326 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.352 5.670 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.474 4.448 6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.124 5.033 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.204 5.604 4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.132 5.039 3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.454 6.177 4.861 1.00 0.00 H new ATOM 910 N LYS A 54 -3.868 2.330 7.398 1.00 0.00 N ATOM 911 CA LYS A 54 -5.226 1.891 7.517 1.00 0.00 C ATOM 912 C LYS A 54 -6.138 3.085 7.587 1.00 0.00 C ATOM 913 O LYS A 54 -5.871 4.022 8.344 1.00 0.00 O ATOM 914 CB LYS A 54 -5.358 1.068 8.789 1.00 0.00 C ATOM 915 CG LYS A 54 -4.516 -0.196 8.773 1.00 0.00 C ATOM 916 CD LYS A 54 -4.220 -0.688 10.168 1.00 0.00 C ATOM 917 CE LYS A 54 -5.471 -1.061 10.952 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.133 -1.598 12.285 1.00 0.00 N ATOM 0 H LYS A 54 -3.576 2.990 8.118 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.502 1.287 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.067 1.680 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.404 0.798 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.038 -0.974 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.580 -0.003 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.564 -1.557 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.676 0.085 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.108 -0.183 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.044 -1.802 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.817 -1.246 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.167 -2.637 12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.176 -1.290 12.551 1.00 0.00 H new ATOM 932 N LEU A 55 -7.182 3.071 6.785 1.00 0.00 N ATOM 933 CA LEU A 55 -8.190 4.101 6.847 1.00 0.00 C ATOM 934 C LEU A 55 -8.899 3.955 8.153 1.00 0.00 C ATOM 935 O LEU A 55 -9.502 2.918 8.422 1.00 0.00 O ATOM 936 CB LEU A 55 -9.204 3.988 5.706 1.00 0.00 C ATOM 937 CG LEU A 55 -8.675 4.196 4.294 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.807 4.046 3.298 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.015 5.566 4.156 1.00 0.00 C ATOM 0 H LEU A 55 -7.352 2.353 6.081 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.708 5.074 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.662 3.000 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.996 4.715 5.882 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.918 3.440 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.425 4.195 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.234 3.046 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.577 4.788 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.645 5.691 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.745 6.345 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.183 5.641 4.856 1.00 0.00 H new ATOM 951 N ARG A 56 -8.840 4.965 8.946 1.00 0.00 N ATOM 952 CA ARG A 56 -9.370 4.908 10.285 1.00 0.00 C ATOM 953 C ARG A 56 -10.845 5.252 10.282 1.00 0.00 C ATOM 954 O ARG A 56 -11.546 5.122 11.290 1.00 0.00 O ATOM 955 CB ARG A 56 -8.538 5.816 11.185 1.00 0.00 C ATOM 956 CG ARG A 56 -7.067 5.422 11.124 1.00 0.00 C ATOM 957 CD ARG A 56 -6.139 6.365 11.853 1.00 0.00 C ATOM 958 NE ARG A 56 -4.743 5.977 11.590 1.00 0.00 N ATOM 959 CZ ARG A 56 -3.691 6.803 11.567 1.00 0.00 C ATOM 960 NH1 ARG A 56 -3.817 8.064 11.963 1.00 0.00 N ATOM 961 NH2 ARG A 56 -2.513 6.349 11.164 1.00 0.00 N ATOM 0 H ARG A 56 -8.424 5.862 8.695 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.299 3.897 10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.656 6.854 10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.897 5.748 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.953 4.423 11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.761 5.366 10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.312 7.390 11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.341 6.336 12.924 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.562 4.990 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.720 8.409 12.288 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.010 8.688 11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.413 5.376 10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.706 6.972 11.144 1.00 0.00 H new ATOM 975 N SER A 57 -11.308 5.676 9.138 1.00 0.00 N ATOM 976 CA SER A 57 -12.686 5.957 8.908 1.00 0.00 C ATOM 977 C SER A 57 -13.425 4.672 8.497 1.00 0.00 C ATOM 978 O SER A 57 -14.267 4.154 9.232 1.00 0.00 O ATOM 979 CB SER A 57 -12.760 7.002 7.806 1.00 0.00 C ATOM 980 OG SER A 57 -11.881 6.633 6.733 1.00 0.00 O ATOM 0 H SER A 57 -10.716 5.838 8.323 1.00 0.00 H new ATOM 0 HA SER A 57 -13.163 6.333 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.783 7.086 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.481 7.980 8.199 1.00 0.00 H new ATOM 0 HG SER A 57 -12.163 7.084 5.910 1.00 0.00 H new ATOM 986 N SER A 58 -13.062 4.150 7.351 1.00 0.00 N ATOM 987 CA SER A 58 -13.701 2.992 6.784 1.00 0.00 C ATOM 988 C SER A 58 -13.207 1.664 7.417 1.00 0.00 C ATOM 989 O SER A 58 -14.006 0.747 7.662 1.00 0.00 O ATOM 990 CB SER A 58 -13.483 3.018 5.276 1.00 0.00 C ATOM 991 OG SER A 58 -13.840 4.292 4.745 1.00 0.00 O ATOM 0 H SER A 58 -12.304 4.524 6.780 1.00 0.00 H new ATOM 0 HA SER A 58 -14.768 3.032 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.439 2.802 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.080 2.239 4.802 1.00 0.00 H new ATOM 0 HG SER A 58 -14.567 4.184 4.097 1.00 0.00 H new ATOM 997 N GLY A 59 -11.920 1.578 7.716 1.00 0.00 N ATOM 998 CA GLY A 59 -11.370 0.355 8.293 1.00 0.00 C ATOM 999 C GLY A 59 -10.840 -0.597 7.240 1.00 0.00 C ATOM 1000 O GLY A 59 -11.126 -1.792 7.269 1.00 0.00 O ATOM 0 H GLY A 59 -11.243 2.327 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.566 0.612 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.142 -0.147 8.876 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.081 -0.061 6.311 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.466 -0.831 5.234 1.00 0.00 C ATOM 1006 C TYR A 60 -7.965 -0.706 5.351 1.00 0.00 C ATOM 1007 O TYR A 60 -7.475 0.315 5.827 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.916 -0.316 3.852 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.353 -0.635 3.479 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.418 -0.084 4.164 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.635 -1.477 2.411 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.718 -0.359 3.808 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.934 -1.761 2.046 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.973 -1.198 2.747 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.268 -1.471 2.390 1.00 0.00 O ATOM 0 H TYR A 60 -9.866 0.935 6.275 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.775 -1.872 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.782 0.765 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.258 -0.739 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.226 0.577 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.821 -1.918 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.536 0.082 4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -13.133 -2.421 1.215 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.274 -2.079 1.621 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.244 -1.709 4.940 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.792 -1.684 5.042 1.00 0.00 C ATOM 1027 C ARG A 61 -5.143 -1.550 3.669 1.00 0.00 C ATOM 1028 O ARG A 61 -5.738 -1.893 2.654 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.270 -2.951 5.737 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.787 -4.232 5.107 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.062 -5.471 5.590 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.074 -5.631 7.059 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.792 -6.777 7.723 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -4.703 -7.941 7.088 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -4.658 -6.771 9.026 1.00 0.00 N ATOM 0 H ARG A 61 -7.627 -2.560 4.529 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.524 -0.813 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.180 -2.952 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.559 -2.927 6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.850 -4.333 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.689 -4.161 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.519 -6.349 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.028 -5.434 5.246 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.314 -4.812 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.848 -7.984 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.489 -8.791 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.766 -5.900 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.446 -7.637 9.521 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.946 -1.036 3.653 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.143 -0.934 2.459 1.00 0.00 C ATOM 1051 C LEU A 62 -1.702 -1.211 2.874 1.00 0.00 C ATOM 1052 O LEU A 62 -1.221 -0.659 3.856 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.321 0.469 1.798 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.690 0.704 0.394 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.299 1.936 -0.251 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.181 0.899 0.476 1.00 0.00 C ATOM 0 H LEU A 62 -3.488 -0.667 4.486 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.450 -1.657 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.390 0.668 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.907 1.213 2.478 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.897 -0.184 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.851 2.092 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.374 1.795 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.109 2.807 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.780 1.060 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.959 1.765 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.723 0.011 0.912 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.056 -2.090 2.162 1.00 0.00 N ATOM 1069 CA VAL A 63 0.298 -2.513 2.459 1.00 0.00 C ATOM 1070 C VAL A 63 1.153 -2.213 1.250 1.00 0.00 C ATOM 1071 O VAL A 63 0.774 -2.564 0.128 1.00 0.00 O ATOM 1072 CB VAL A 63 0.351 -4.047 2.719 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.728 -4.489 3.195 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.721 -4.478 3.698 1.00 0.00 C ATOM 0 H VAL A 63 -1.456 -2.546 1.342 1.00 0.00 H new ATOM 0 HA VAL A 63 0.652 -1.989 3.347 1.00 0.00 H new ATOM 0 HB VAL A 63 0.156 -4.540 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.726 -5.566 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.471 -4.244 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.974 -3.975 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.656 -5.554 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.576 -3.961 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.703 -4.229 3.295 1.00 0.00 H new ATOM 1084 N TYR A 64 2.271 -1.573 1.457 1.00 0.00 N ATOM 1085 CA TYR A 64 3.162 -1.222 0.372 1.00 0.00 C ATOM 1086 C TYR A 64 4.594 -1.370 0.829 1.00 0.00 C ATOM 1087 O TYR A 64 4.883 -1.270 2.025 1.00 0.00 O ATOM 1088 CB TYR A 64 2.904 0.229 -0.101 1.00 0.00 C ATOM 1089 CG TYR A 64 3.122 1.280 0.975 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.136 1.551 1.909 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.324 1.977 1.070 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.325 2.479 2.900 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.522 2.908 2.068 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.515 3.155 2.982 1.00 0.00 C ATOM 1095 OH TYR A 64 3.706 4.083 3.986 1.00 0.00 O ATOM 0 H TYR A 64 2.595 -1.278 2.378 1.00 0.00 H new ATOM 0 HA TYR A 64 2.976 -1.893 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.559 0.447 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.879 0.304 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.197 1.019 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.110 1.786 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.539 2.677 3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.459 3.441 2.135 1.00 0.00 H new ATOM 0 HH TYR A 64 4.648 4.353 4.007 1.00 0.00 H new ATOM 1105 N GLN A 65 5.472 -1.630 -0.085 1.00 0.00 N ATOM 1106 CA GLN A 65 6.862 -1.714 0.218 1.00 0.00 C ATOM 1107 C GLN A 65 7.541 -0.542 -0.467 1.00 0.00 C ATOM 1108 O GLN A 65 7.141 -0.138 -1.568 1.00 0.00 O ATOM 1109 CB GLN A 65 7.453 -3.054 -0.242 1.00 0.00 C ATOM 1110 CG GLN A 65 8.842 -3.342 0.329 1.00 0.00 C ATOM 1111 CD GLN A 65 9.414 -4.681 -0.104 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.160 -5.324 0.640 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.118 -5.090 -1.300 1.00 0.00 N ATOM 0 H GLN A 65 5.243 -1.791 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 65 7.022 -1.667 1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.777 -3.858 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.509 -3.062 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.523 -2.549 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.791 -3.313 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.498 -4.535 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.505 -5.966 -1.650 1.00 0.00 H new ATOM 1122 N VAL A 66 8.513 0.013 0.179 1.00 0.00 N ATOM 1123 CA VAL A 66 9.192 1.177 -0.320 1.00 0.00 C ATOM 1124 C VAL A 66 10.467 0.785 -1.010 1.00 0.00 C ATOM 1125 O VAL A 66 11.339 0.141 -0.416 1.00 0.00 O ATOM 1126 CB VAL A 66 9.505 2.167 0.820 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.295 3.371 0.312 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.215 2.618 1.442 1.00 0.00 C ATOM 0 H VAL A 66 8.865 -0.326 1.074 1.00 0.00 H new ATOM 0 HA VAL A 66 8.531 1.666 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 66 10.121 1.662 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.499 4.049 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.237 3.032 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.714 3.893 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.426 3.319 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.599 3.108 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.682 1.755 1.841 1.00 0.00 H new ATOM 1138 N ILE A 67 10.564 1.138 -2.255 1.00 0.00 N ATOM 1139 CA ILE A 67 11.742 0.874 -3.011 1.00 0.00 C ATOM 1140 C ILE A 67 12.428 2.199 -3.265 1.00 0.00 C ATOM 1141 O ILE A 67 11.962 2.996 -4.074 1.00 0.00 O ATOM 1142 CB ILE A 67 11.401 0.221 -4.369 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.431 -0.962 -4.175 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.686 -0.263 -5.026 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.976 -1.621 -5.463 1.00 0.00 C ATOM 0 H ILE A 67 9.827 1.617 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 67 12.381 0.188 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 67 10.915 0.959 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.914 -1.712 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.554 -0.611 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.453 -0.725 -5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.355 0.583 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.172 -0.994 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.297 -2.442 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.461 -0.888 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.842 -2.007 -6.000 1.00 0.00 H new ATOM 1157 N ASP A 68 13.501 2.456 -2.575 1.00 0.00 N ATOM 1158 CA ASP A 68 14.189 3.727 -2.717 1.00 0.00 C ATOM 1159 C ASP A 68 15.021 3.738 -3.989 1.00 0.00 C ATOM 1160 O ASP A 68 15.167 4.773 -4.622 1.00 0.00 O ATOM 1161 CB ASP A 68 15.087 4.042 -1.506 1.00 0.00 C ATOM 1162 CG ASP A 68 16.412 3.300 -1.516 1.00 0.00 C ATOM 1163 OD1 ASP A 68 16.467 2.123 -1.092 1.00 0.00 O ATOM 1164 OD2 ASP A 68 17.419 3.881 -1.950 1.00 0.00 O ATOM 0 H ASP A 68 13.925 1.811 -1.908 1.00 0.00 H new ATOM 0 HA ASP A 68 13.423 4.501 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.282 5.114 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.549 3.793 -0.592 1.00 0.00 H new ATOM 1169 N GLU A 69 15.520 2.569 -4.391 1.00 0.00 N ATOM 1170 CA GLU A 69 16.392 2.474 -5.561 1.00 0.00 C ATOM 1171 C GLU A 69 15.648 2.797 -6.864 1.00 0.00 C ATOM 1172 O GLU A 69 16.221 3.353 -7.789 1.00 0.00 O ATOM 1173 CB GLU A 69 17.076 1.103 -5.648 1.00 0.00 C ATOM 1174 CG GLU A 69 16.122 -0.063 -5.799 1.00 0.00 C ATOM 1175 CD GLU A 69 16.832 -1.360 -5.987 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.347 -1.597 -7.087 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.912 -2.157 -5.041 1.00 0.00 O ATOM 0 H GLU A 69 15.337 1.680 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 69 17.168 3.229 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.763 1.106 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.676 0.952 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.486 -0.125 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.467 0.116 -6.651 1.00 0.00 H new ATOM 1184 N LYS A 70 14.375 2.454 -6.916 1.00 0.00 N ATOM 1185 CA LYS A 70 13.551 2.738 -8.092 1.00 0.00 C ATOM 1186 C LYS A 70 12.754 3.997 -7.850 1.00 0.00 C ATOM 1187 O LYS A 70 12.141 4.541 -8.758 1.00 0.00 O ATOM 1188 CB LYS A 70 12.578 1.592 -8.343 1.00 0.00 C ATOM 1189 CG LYS A 70 13.225 0.260 -8.603 1.00 0.00 C ATOM 1190 CD LYS A 70 12.181 -0.825 -8.763 1.00 0.00 C ATOM 1191 CE LYS A 70 12.823 -2.179 -8.983 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.622 -2.227 -10.226 1.00 0.00 N ATOM 0 H LYS A 70 13.882 1.978 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 70 14.204 2.859 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.919 1.498 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.950 1.848 -9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.836 0.318 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.893 0.009 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.550 -0.859 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.532 -0.587 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.463 -2.417 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.048 -2.944 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.871 -3.214 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.066 -1.832 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.491 -1.669 -10.102 1.00 0.00 H new ATOM 1206 N VAL A 71 12.805 4.446 -6.602 1.00 0.00 N ATOM 1207 CA VAL A 71 12.048 5.578 -6.081 1.00 0.00 C ATOM 1208 C VAL A 71 10.563 5.377 -6.363 1.00 0.00 C ATOM 1209 O VAL A 71 9.978 6.057 -7.196 1.00 0.00 O ATOM 1210 CB VAL A 71 12.490 6.954 -6.650 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.956 8.058 -5.776 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.988 7.059 -6.770 1.00 0.00 C ATOM 0 H VAL A 71 13.400 4.013 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 71 12.249 5.604 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 71 12.078 7.050 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.267 9.022 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.867 8.009 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.346 7.943 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.253 8.037 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.441 6.936 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.355 6.280 -7.439 1.00 0.00 H new ATOM 1222 N VAL A 72 9.967 4.425 -5.705 1.00 0.00 N ATOM 1223 CA VAL A 72 8.602 4.095 -5.979 1.00 0.00 C ATOM 1224 C VAL A 72 7.959 3.400 -4.777 1.00 0.00 C ATOM 1225 O VAL A 72 8.644 2.719 -3.982 1.00 0.00 O ATOM 1226 CB VAL A 72 8.510 3.197 -7.255 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.179 1.852 -7.053 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.089 3.024 -7.723 1.00 0.00 C ATOM 0 H VAL A 72 10.407 3.864 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 72 8.053 5.018 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 72 9.054 3.722 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.091 1.261 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.233 2.001 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.695 1.325 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.073 2.393 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.501 2.555 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.663 3.999 -7.962 1.00 0.00 H new ATOM 1238 N VAL A 73 6.683 3.632 -4.621 1.00 0.00 N ATOM 1239 CA VAL A 73 5.877 3.011 -3.627 1.00 0.00 C ATOM 1240 C VAL A 73 5.143 1.874 -4.302 1.00 0.00 C ATOM 1241 O VAL A 73 4.288 2.103 -5.159 1.00 0.00 O ATOM 1242 CB VAL A 73 4.868 4.034 -3.063 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.946 3.407 -2.037 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.617 5.205 -2.464 1.00 0.00 C ATOM 0 H VAL A 73 6.165 4.285 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 73 6.484 2.642 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 73 4.242 4.385 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.251 4.160 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.387 2.594 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.536 3.016 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.904 5.927 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.263 4.851 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.224 5.681 -3.234 1.00 0.00 H new ATOM 1254 N PHE A 74 5.508 0.669 -3.963 1.00 0.00 N ATOM 1255 CA PHE A 74 4.945 -0.492 -4.596 1.00 0.00 C ATOM 1256 C PHE A 74 3.875 -1.116 -3.708 1.00 0.00 C ATOM 1257 O PHE A 74 4.178 -1.789 -2.729 1.00 0.00 O ATOM 1258 CB PHE A 74 6.072 -1.488 -4.948 1.00 0.00 C ATOM 1259 CG PHE A 74 5.642 -2.767 -5.631 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.506 -2.816 -6.425 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.385 -3.924 -5.470 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.126 -3.984 -7.038 1.00 0.00 C ATOM 1263 CE2 PHE A 74 6.006 -5.100 -6.087 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.873 -5.128 -6.870 1.00 0.00 C ATOM 0 H PHE A 74 6.201 0.464 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 74 4.455 -0.204 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.790 -0.980 -5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.597 -1.750 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.913 -1.924 -6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.272 -3.907 -4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.239 -4.005 -7.654 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.596 -5.995 -5.956 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.571 -6.046 -7.352 1.00 0.00 H new ATOM 1274 N VAL A 75 2.639 -0.847 -4.036 1.00 0.00 N ATOM 1275 CA VAL A 75 1.509 -1.358 -3.302 1.00 0.00 C ATOM 1276 C VAL A 75 1.292 -2.825 -3.645 1.00 0.00 C ATOM 1277 O VAL A 75 1.281 -3.216 -4.822 1.00 0.00 O ATOM 1278 CB VAL A 75 0.229 -0.540 -3.581 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.922 -1.023 -2.710 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.488 0.941 -3.355 1.00 0.00 C ATOM 0 H VAL A 75 2.384 -0.260 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 75 1.727 -1.266 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.052 -0.687 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.813 -0.432 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.123 -2.073 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.655 -0.910 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.423 1.504 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.795 1.103 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.278 1.279 -4.025 1.00 0.00 H new ATOM 1290 N ILE A 76 1.139 -3.611 -2.615 1.00 0.00 N ATOM 1291 CA ILE A 76 1.050 -5.046 -2.707 1.00 0.00 C ATOM 1292 C ILE A 76 -0.381 -5.538 -2.441 1.00 0.00 C ATOM 1293 O ILE A 76 -0.974 -6.267 -3.255 1.00 0.00 O ATOM 1294 CB ILE A 76 2.021 -5.660 -1.660 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.463 -5.179 -1.913 1.00 0.00 C ATOM 1296 CG2 ILE A 76 1.946 -7.181 -1.639 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.056 -5.647 -3.219 1.00 0.00 C ATOM 0 H ILE A 76 1.071 -3.262 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 76 1.321 -5.357 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 76 1.708 -5.312 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.479 -4.089 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.097 -5.524 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.640 -7.569 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.932 -7.492 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.212 -7.572 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.072 -5.263 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.076 -6.737 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.449 -5.280 -4.047 1.00 0.00 H new ATOM 1309 N SER A 77 -0.939 -5.133 -1.324 1.00 0.00 N ATOM 1310 CA SER A 77 -2.253 -5.583 -0.927 1.00 0.00 C ATOM 1311 C SER A 77 -3.084 -4.394 -0.496 1.00 0.00 C ATOM 1312 O SER A 77 -2.537 -3.406 -0.020 1.00 0.00 O ATOM 1313 CB SER A 77 -2.124 -6.573 0.229 1.00 0.00 C ATOM 1314 OG SER A 77 -1.234 -7.626 -0.102 1.00 0.00 O ATOM 0 H SER A 77 -0.499 -4.487 -0.669 1.00 0.00 H new ATOM 0 HA SER A 77 -2.741 -6.076 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.765 -6.055 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.104 -6.983 0.473 1.00 0.00 H new ATOM 0 HG SER A 77 -1.709 -8.482 -0.056 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.385 -4.475 -0.682 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.303 -3.402 -0.329 1.00 0.00 C ATOM 1322 C VAL A 78 -6.617 -4.068 0.112 1.00 0.00 C ATOM 1323 O VAL A 78 -6.794 -5.262 -0.113 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.627 -2.476 -1.580 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.397 -1.240 -1.185 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.393 -2.076 -2.372 1.00 0.00 C ATOM 0 H VAL A 78 -4.843 -5.292 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.854 -2.785 0.450 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.249 -3.092 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.596 -0.637 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.341 -1.531 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.811 -0.658 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.688 -1.445 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.709 -1.525 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.896 -2.970 -2.748 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.454 -3.349 0.812 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.805 -3.791 1.023 1.00 0.00 C ATOM 1338 C GLY A 79 -9.044 -4.388 2.363 1.00 0.00 C ATOM 1339 O GLY A 79 -8.285 -4.156 3.309 1.00 0.00 O ATOM 0 H GLY A 79 -7.223 -2.455 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.478 -2.945 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.060 -4.525 0.259 1.00 0.00 H new ATOM 1343 N LYS A 80 -10.121 -5.106 2.466 1.00 0.00 N ATOM 1344 CA LYS A 80 -10.437 -5.827 3.645 1.00 0.00 C ATOM 1345 C LYS A 80 -10.368 -7.293 3.368 1.00 0.00 C ATOM 1346 O LYS A 80 -11.079 -7.830 2.506 1.00 0.00 O ATOM 1347 CB LYS A 80 -11.796 -5.452 4.246 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.849 -4.048 4.823 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.168 -3.756 5.537 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.374 -4.644 6.763 1.00 0.00 C ATOM 1351 NZ LYS A 80 -12.296 -4.489 7.772 1.00 0.00 N ATOM 0 H LYS A 80 -10.809 -5.204 1.720 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.695 -5.553 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.561 -5.546 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.044 -6.166 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.024 -3.915 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.706 -3.324 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.190 -2.710 5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.995 -3.903 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.333 -4.405 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.423 -5.686 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.701 -4.566 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.584 -5.235 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.847 -3.557 7.660 1.00 0.00 H new ATOM 1715 N GLU B 54 -1.307 -7.724 14.050 1.00 0.00 N ATOM 1716 CA GLU B 54 -1.636 -7.718 12.634 1.00 0.00 C ATOM 1717 C GLU B 54 -0.405 -7.476 11.774 1.00 0.00 C ATOM 1718 O GLU B 54 -0.340 -7.910 10.657 1.00 0.00 O ATOM 1719 CB GLU B 54 -2.691 -6.662 12.308 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.295 -5.255 12.725 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.209 -4.207 12.171 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -4.396 -4.190 12.521 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.769 -3.386 11.359 1.00 0.00 O ATOM 0 HA GLU B 54 -2.039 -8.705 12.406 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -2.884 -6.673 11.235 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.625 -6.929 12.803 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -2.293 -5.190 13.813 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.277 -5.055 12.392 1.00 0.00 H new ATOM 1730 N ASP B 55 0.595 -6.826 12.309 1.00 0.00 N ATOM 1731 CA ASP B 55 1.783 -6.520 11.524 1.00 0.00 C ATOM 1732 C ASP B 55 2.629 -7.740 11.288 1.00 0.00 C ATOM 1733 O ASP B 55 3.508 -7.744 10.433 1.00 0.00 O ATOM 1734 CB ASP B 55 2.569 -5.379 12.126 1.00 0.00 C ATOM 1735 CG ASP B 55 1.772 -4.118 12.073 1.00 0.00 C ATOM 1736 OD1 ASP B 55 1.795 -3.438 11.051 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.051 -3.823 13.043 1.00 0.00 O ATOM 0 H ASP B 55 0.621 -6.497 13.274 1.00 0.00 H new ATOM 0 HA ASP B 55 1.447 -6.185 10.543 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.827 -5.611 13.159 1.00 0.00 H new ATOM 0 HB3 ASP B 55 3.506 -5.248 11.585 1.00 0.00 H new ATOM 1742 N ALA B 56 2.338 -8.786 12.025 1.00 0.00 N ATOM 1743 CA ALA B 56 2.970 -10.081 11.818 1.00 0.00 C ATOM 1744 C ALA B 56 2.184 -10.849 10.754 1.00 0.00 C ATOM 1745 O ALA B 56 2.640 -11.853 10.212 1.00 0.00 O ATOM 1746 CB ALA B 56 2.990 -10.867 13.109 1.00 0.00 C ATOM 0 H ALA B 56 1.658 -8.770 12.785 1.00 0.00 H new ATOM 0 HA ALA B 56 3.998 -9.935 11.487 1.00 0.00 H new ATOM 0 HB1 ALA B 56 3.465 -11.833 12.939 1.00 0.00 H new ATOM 0 HB2 ALA B 56 3.550 -10.314 13.863 1.00 0.00 H new ATOM 0 HB3 ALA B 56 1.969 -11.021 13.457 1.00 0.00 H new ATOM 1752 N GLU B 57 1.026 -10.321 10.443 1.00 0.00 N ATOM 1753 CA GLU B 57 0.105 -10.883 9.502 1.00 0.00 C ATOM 1754 C GLU B 57 0.356 -10.213 8.165 1.00 0.00 C ATOM 1755 O GLU B 57 0.414 -10.863 7.137 1.00 0.00 O ATOM 1756 CB GLU B 57 -1.295 -10.588 10.021 1.00 0.00 C ATOM 1757 CG GLU B 57 -2.462 -11.003 9.181 1.00 0.00 C ATOM 1758 CD GLU B 57 -3.731 -10.504 9.825 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -4.265 -11.186 10.714 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -4.182 -9.378 9.493 1.00 0.00 O ATOM 0 H GLU B 57 0.691 -9.452 10.859 1.00 0.00 H new ATOM 0 HA GLU B 57 0.221 -11.960 9.380 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -1.398 -11.068 10.994 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.369 -9.513 10.187 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -2.365 -10.596 8.174 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -2.490 -12.088 9.085 1.00 0.00 H new ATOM 1767 N LEU B 58 0.553 -8.895 8.191 1.00 0.00 N ATOM 1768 CA LEU B 58 0.874 -8.171 6.978 1.00 0.00 C ATOM 1769 C LEU B 58 2.170 -8.648 6.354 1.00 0.00 C ATOM 1770 O LEU B 58 2.266 -8.724 5.143 1.00 0.00 O ATOM 1771 CB LEU B 58 0.904 -6.637 7.138 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.431 -5.898 7.322 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -1.540 -6.507 6.507 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -0.826 -5.710 8.762 1.00 0.00 C ATOM 0 H LEU B 58 0.495 -8.320 9.031 1.00 0.00 H new ATOM 0 HA LEU B 58 0.046 -8.399 6.307 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.534 -6.404 7.997 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.396 -6.221 6.259 1.00 0.00 H new ATOM 0 HG LEU B 58 -0.259 -4.895 6.932 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -2.462 -5.949 6.672 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -1.277 -6.469 5.450 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -1.685 -7.544 6.808 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -1.778 -5.181 8.812 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -0.926 -6.684 9.242 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -0.061 -5.129 9.276 1.00 0.00 H new ATOM 1786 N VAL B 59 3.159 -9.004 7.179 1.00 0.00 N ATOM 1787 CA VAL B 59 4.439 -9.467 6.638 1.00 0.00 C ATOM 1788 C VAL B 59 4.299 -10.752 5.818 1.00 0.00 C ATOM 1789 O VAL B 59 4.940 -10.895 4.786 1.00 0.00 O ATOM 1790 CB VAL B 59 5.563 -9.625 7.704 1.00 0.00 C ATOM 1791 CG1 VAL B 59 5.863 -8.302 8.373 1.00 0.00 C ATOM 1792 CG2 VAL B 59 5.219 -10.679 8.735 1.00 0.00 C ATOM 0 H VAL B 59 3.102 -8.982 8.197 1.00 0.00 H new ATOM 0 HA VAL B 59 4.752 -8.663 5.971 1.00 0.00 H new ATOM 0 HB VAL B 59 6.459 -9.959 7.181 1.00 0.00 H new ATOM 0 HG11 VAL B 59 6.651 -8.439 9.113 1.00 0.00 H new ATOM 0 HG12 VAL B 59 6.190 -7.581 7.624 1.00 0.00 H new ATOM 0 HG13 VAL B 59 4.964 -7.931 8.865 1.00 0.00 H new ATOM 0 HG21 VAL B 59 6.029 -10.757 9.460 1.00 0.00 H new ATOM 0 HG22 VAL B 59 4.299 -10.399 9.248 1.00 0.00 H new ATOM 0 HG23 VAL B 59 5.081 -11.640 8.240 1.00 0.00 H new ATOM 1802 N GLU B 60 3.416 -11.656 6.239 1.00 0.00 N ATOM 1803 CA GLU B 60 3.237 -12.910 5.525 1.00 0.00 C ATOM 1804 C GLU B 60 2.385 -12.722 4.269 1.00 0.00 C ATOM 1805 O GLU B 60 2.440 -13.531 3.347 1.00 0.00 O ATOM 1806 CB GLU B 60 2.677 -14.022 6.429 1.00 0.00 C ATOM 1807 CG GLU B 60 1.365 -13.691 7.101 1.00 0.00 C ATOM 1808 CD GLU B 60 0.805 -14.839 7.885 1.00 0.00 C ATOM 1809 OE1 GLU B 60 1.150 -14.996 9.077 1.00 0.00 O ATOM 1810 OE2 GLU B 60 0.019 -15.615 7.326 1.00 0.00 O ATOM 0 H GLU B 60 2.822 -11.542 7.061 1.00 0.00 H new ATOM 0 HA GLU B 60 4.227 -13.236 5.206 1.00 0.00 H new ATOM 0 HB2 GLU B 60 2.546 -14.925 5.832 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.415 -14.252 7.197 1.00 0.00 H new ATOM 0 HG2 GLU B 60 1.508 -12.839 7.766 1.00 0.00 H new ATOM 0 HG3 GLU B 60 0.642 -13.387 6.344 1.00 0.00 H new ATOM 1817 N ILE B 61 1.624 -11.644 4.235 1.00 0.00 N ATOM 1818 CA ILE B 61 0.792 -11.322 3.083 1.00 0.00 C ATOM 1819 C ILE B 61 1.645 -10.676 1.978 1.00 0.00 C ATOM 1820 O ILE B 61 1.545 -11.035 0.795 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.388 -10.375 3.477 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.297 -11.064 4.512 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.199 -9.970 2.249 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -2.451 -10.208 5.004 1.00 0.00 C ATOM 0 H ILE B 61 1.563 -10.969 4.997 1.00 0.00 H new ATOM 0 HA ILE B 61 0.364 -12.252 2.708 1.00 0.00 H new ATOM 0 HB ILE B 61 0.033 -9.471 3.918 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.699 -11.977 4.073 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -0.691 -11.362 5.368 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -2.013 -9.312 2.552 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.554 -9.448 1.543 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.610 -10.861 1.774 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.039 -10.771 5.729 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.060 -9.306 5.476 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.084 -9.931 4.161 1.00 0.00 H new ATOM 1836 N VAL B 62 2.514 -9.760 2.374 1.00 0.00 N ATOM 1837 CA VAL B 62 3.364 -9.068 1.426 1.00 0.00 C ATOM 1838 C VAL B 62 4.387 -10.015 0.791 1.00 0.00 C ATOM 1839 O VAL B 62 4.492 -10.086 -0.442 1.00 0.00 O ATOM 1840 CB VAL B 62 4.036 -7.769 2.021 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.842 -8.049 3.272 1.00 0.00 C ATOM 1842 CG2 VAL B 62 4.907 -7.086 0.992 1.00 0.00 C ATOM 0 H VAL B 62 2.647 -9.480 3.346 1.00 0.00 H new ATOM 0 HA VAL B 62 2.709 -8.715 0.629 1.00 0.00 H new ATOM 0 HB VAL B 62 3.218 -7.104 2.298 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.281 -7.121 3.637 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.190 -8.468 4.038 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.636 -8.760 3.042 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.357 -6.195 1.430 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.694 -7.769 0.670 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.300 -6.801 0.133 1.00 0.00 H new ATOM 1852 N LYS B 63 5.067 -10.813 1.624 1.00 0.00 N ATOM 1853 CA LYS B 63 6.087 -11.746 1.135 1.00 0.00 C ATOM 1854 C LYS B 63 5.458 -12.815 0.243 1.00 0.00 C ATOM 1855 O LYS B 63 6.120 -13.403 -0.609 1.00 0.00 O ATOM 1856 CB LYS B 63 6.842 -12.392 2.301 1.00 0.00 C ATOM 1857 CG LYS B 63 5.997 -13.301 3.172 1.00 0.00 C ATOM 1858 CD LYS B 63 6.780 -13.837 4.358 1.00 0.00 C ATOM 1859 CE LYS B 63 8.005 -14.610 3.914 1.00 0.00 C ATOM 1860 NZ LYS B 63 8.722 -15.205 5.054 1.00 0.00 N ATOM 0 H LYS B 63 4.930 -10.831 2.635 1.00 0.00 H new ATOM 0 HA LYS B 63 6.804 -11.180 0.539 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.678 -12.967 1.902 1.00 0.00 H new ATOM 0 HB3 LYS B 63 7.265 -11.604 2.924 1.00 0.00 H new ATOM 0 HG2 LYS B 63 5.125 -12.753 3.530 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.627 -14.134 2.575 1.00 0.00 H new ATOM 0 HD2 LYS B 63 7.084 -13.009 4.998 1.00 0.00 H new ATOM 0 HD3 LYS B 63 6.138 -14.484 4.956 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.706 -15.397 3.222 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.676 -13.945 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.553 -15.725 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 9.030 -14.452 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 8.090 -15.859 5.559 1.00 0.00 H new ATOM 1874 N GLU B 64 4.171 -13.026 0.429 1.00 0.00 N ATOM 1875 CA GLU B 64 3.422 -13.966 -0.345 1.00 0.00 C ATOM 1876 C GLU B 64 3.254 -13.430 -1.745 1.00 0.00 C ATOM 1877 O GLU B 64 3.632 -14.058 -2.713 1.00 0.00 O ATOM 1878 CB GLU B 64 2.056 -14.131 0.253 1.00 0.00 C ATOM 1879 CG GLU B 64 1.264 -15.206 -0.396 1.00 0.00 C ATOM 1880 CD GLU B 64 1.802 -16.559 -0.041 1.00 0.00 C ATOM 1881 OE1 GLU B 64 2.704 -17.057 -0.728 1.00 0.00 O ATOM 1882 OE2 GLU B 64 1.319 -17.152 0.947 1.00 0.00 O ATOM 0 H GLU B 64 3.618 -12.538 1.134 1.00 0.00 H new ATOM 0 HA GLU B 64 3.948 -14.920 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU B 64 2.155 -14.352 1.316 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.514 -13.189 0.172 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.222 -15.132 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.285 -15.075 -1.478 1.00 0.00 H new ATOM 1889 N ARG B 65 2.709 -12.233 -1.842 1.00 0.00 N ATOM 1890 CA ARG B 65 2.490 -11.614 -3.131 1.00 0.00 C ATOM 1891 C ARG B 65 3.819 -11.226 -3.764 1.00 0.00 C ATOM 1892 O ARG B 65 3.912 -11.022 -4.962 1.00 0.00 O ATOM 1893 CB ARG B 65 1.536 -10.424 -3.027 1.00 0.00 C ATOM 1894 CG ARG B 65 0.122 -10.801 -2.594 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.807 -9.590 -2.588 1.00 0.00 C ATOM 1896 NE ARG B 65 -2.198 -9.951 -2.243 1.00 0.00 N ATOM 1897 CZ ARG B 65 -3.294 -9.211 -2.532 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -3.182 -7.999 -3.073 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -4.500 -9.667 -2.246 1.00 0.00 N ATOM 0 H ARG B 65 2.411 -11.672 -1.044 1.00 0.00 H new ATOM 0 HA ARG B 65 2.009 -12.342 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.944 -9.705 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.488 -9.924 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG B 65 -0.275 -11.561 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.152 -11.242 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.437 -8.855 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.790 -9.117 -3.570 1.00 0.00 H new ATOM 0 HE ARG B 65 -2.344 -10.830 -1.746 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -2.259 -7.614 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -4.019 -7.455 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -4.609 -10.580 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -5.323 -9.106 -2.466 1.00 0.00 H new ATOM 1913 N LEU B 66 4.861 -11.195 -2.950 1.00 0.00 N ATOM 1914 CA LEU B 66 6.209 -10.913 -3.450 1.00 0.00 C ATOM 1915 C LEU B 66 6.865 -12.154 -4.044 1.00 0.00 C ATOM 1916 O LEU B 66 7.953 -12.064 -4.610 1.00 0.00 O ATOM 1917 CB LEU B 66 7.128 -10.302 -2.381 1.00 0.00 C ATOM 1918 CG LEU B 66 6.839 -8.860 -1.955 1.00 0.00 C ATOM 1919 CD1 LEU B 66 7.786 -8.441 -0.846 1.00 0.00 C ATOM 1920 CD2 LEU B 66 6.975 -7.914 -3.140 1.00 0.00 C ATOM 0 H LEU B 66 4.807 -11.360 -1.945 1.00 0.00 H new ATOM 0 HA LEU B 66 6.077 -10.172 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU B 66 7.081 -10.933 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 66 8.153 -10.347 -2.750 1.00 0.00 H new ATOM 0 HG LEU B 66 5.815 -8.810 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.570 -7.414 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU B 66 7.655 -9.099 0.013 1.00 0.00 H new ATOM 0 HD13 LEU B 66 8.814 -8.508 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.766 -6.894 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.990 -7.969 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.267 -8.201 -3.918 1.00 0.00 H new ATOM 1932 N ARG B 67 6.207 -13.314 -3.935 1.00 0.00 N ATOM 1933 CA ARG B 67 6.767 -14.537 -4.508 1.00 0.00 C ATOM 1934 C ARG B 67 6.629 -14.479 -6.033 1.00 0.00 C ATOM 1935 O ARG B 67 7.352 -15.148 -6.766 1.00 0.00 O ATOM 1936 CB ARG B 67 6.094 -15.815 -3.926 1.00 0.00 C ATOM 1937 CG ARG B 67 4.734 -16.189 -4.526 1.00 0.00 C ATOM 1938 CD ARG B 67 4.066 -17.309 -3.733 1.00 0.00 C ATOM 1939 NE ARG B 67 2.930 -17.905 -4.460 1.00 0.00 N ATOM 1940 CZ ARG B 67 1.960 -18.660 -3.913 1.00 0.00 C ATOM 1941 NH1 ARG B 67 1.752 -18.658 -2.603 1.00 0.00 N ATOM 1942 NH2 ARG B 67 1.144 -19.355 -4.704 1.00 0.00 N ATOM 0 H ARG B 67 5.308 -13.429 -3.467 1.00 0.00 H new ATOM 0 HA ARG B 67 7.822 -14.600 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG B 67 6.774 -16.655 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG B 67 5.970 -15.680 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG B 67 4.086 -15.313 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG B 67 4.865 -16.502 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG B 67 4.800 -18.084 -3.512 1.00 0.00 H new ATOM 0 HD3 ARG B 67 3.718 -16.918 -2.777 1.00 0.00 H new ATOM 0 HE ARG B 67 2.875 -17.730 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG B 67 2.331 -18.079 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG B 67 1.013 -19.236 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG B 67 1.257 -19.312 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG B 67 0.406 -19.930 -4.297 1.00 0.00 H new ATOM 1956 N ASN B 68 5.686 -13.662 -6.488 1.00 0.00 N ATOM 1957 CA ASN B 68 5.449 -13.418 -7.885 1.00 0.00 C ATOM 1958 C ASN B 68 4.672 -12.111 -8.021 1.00 0.00 C ATOM 1959 O ASN B 68 3.436 -12.113 -8.067 1.00 0.00 O ATOM 1960 CB ASN B 68 4.656 -14.561 -8.514 1.00 0.00 C ATOM 1961 CG ASN B 68 4.394 -14.362 -9.987 1.00 0.00 C ATOM 1962 OD1 ASN B 68 5.181 -13.753 -10.717 1.00 0.00 O ATOM 1963 ND2 ASN B 68 3.286 -14.858 -10.435 1.00 0.00 N ATOM 0 H ASN B 68 5.057 -13.145 -5.873 1.00 0.00 H new ATOM 0 HA ASN B 68 6.404 -13.349 -8.405 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.201 -15.494 -8.371 1.00 0.00 H new ATOM 0 HB3 ASN B 68 3.704 -14.664 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN B 68 3.041 -14.751 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN B 68 2.658 -15.356 -9.804 1.00 0.00 H new ATOM 1970 N PRO B 69 5.368 -10.975 -7.969 1.00 0.00 N ATOM 1971 CA PRO B 69 4.741 -9.686 -8.075 1.00 0.00 C ATOM 1972 C PRO B 69 4.780 -9.126 -9.481 1.00 0.00 C ATOM 1973 O PRO B 69 5.672 -9.450 -10.302 1.00 0.00 O ATOM 1974 CB PRO B 69 5.578 -8.820 -7.157 1.00 0.00 C ATOM 1975 CG PRO B 69 6.935 -9.439 -7.162 1.00 0.00 C ATOM 1976 CD PRO B 69 6.810 -10.837 -7.743 1.00 0.00 C ATOM 0 HA PRO B 69 3.683 -9.733 -7.816 1.00 0.00 H new ATOM 0 HB2 PRO B 69 5.614 -7.790 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO B 69 5.160 -8.795 -6.150 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.625 -8.840 -7.756 1.00 0.00 H new ATOM 0 HG3 PRO B 69 7.339 -9.481 -6.150 1.00 0.00 H new ATOM 0 HD2 PRO B 69 7.375 -10.941 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.185 -11.595 -7.055 1.00 0.00 H new ATOM 1984 N LYS B 70 3.833 -8.307 -9.751 1.00 0.00 N ATOM 1985 CA LYS B 70 3.694 -7.638 -11.029 1.00 0.00 C ATOM 1986 C LYS B 70 3.495 -6.157 -10.825 1.00 0.00 C ATOM 1987 O LYS B 70 2.369 -5.700 -10.716 1.00 0.00 O ATOM 1988 CB LYS B 70 2.511 -8.146 -11.853 1.00 0.00 C ATOM 1989 CG LYS B 70 2.634 -9.505 -12.503 1.00 0.00 C ATOM 1990 CD LYS B 70 2.645 -10.659 -11.533 1.00 0.00 C ATOM 1991 CE LYS B 70 2.364 -11.934 -12.272 1.00 0.00 C ATOM 1992 NZ LYS B 70 0.957 -11.976 -12.781 1.00 0.00 N ATOM 0 H LYS B 70 3.102 -8.063 -9.083 1.00 0.00 H new ATOM 0 HA LYS B 70 4.614 -7.852 -11.572 1.00 0.00 H new ATOM 0 HB2 LYS B 70 1.635 -8.163 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS B 70 2.312 -7.416 -12.638 1.00 0.00 H new ATOM 0 HG2 LYS B 70 1.805 -9.638 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS B 70 3.551 -9.532 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS B 70 3.612 -10.720 -11.035 1.00 0.00 H new ATOM 0 HD3 LYS B 70 1.896 -10.503 -10.757 1.00 0.00 H new ATOM 0 HE2 LYS B 70 3.057 -12.031 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS B 70 2.539 -12.784 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 0.792 -12.878 -13.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 0.296 -11.891 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 0.804 -11.189 -13.443 1.00 0.00 H new ATOM 2006 N PRO B 71 4.565 -5.395 -10.725 1.00 0.00 N ATOM 2007 CA PRO B 71 4.464 -3.961 -10.552 1.00 0.00 C ATOM 2008 C PRO B 71 4.107 -3.235 -11.847 1.00 0.00 C ATOM 2009 O PRO B 71 4.901 -3.171 -12.799 1.00 0.00 O ATOM 2010 CB PRO B 71 5.840 -3.563 -10.046 1.00 0.00 C ATOM 2011 CG PRO B 71 6.766 -4.596 -10.610 1.00 0.00 C ATOM 2012 CD PRO B 71 5.960 -5.867 -10.739 1.00 0.00 C ATOM 0 HA PRO B 71 3.662 -3.688 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO B 71 6.111 -2.562 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.874 -3.553 -8.957 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.154 -4.282 -11.579 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.625 -4.746 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.194 -6.398 -11.661 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.159 -6.553 -9.916 1.00 0.00 H new ATOM 2020 N VAL B 72 2.897 -2.781 -11.909 1.00 0.00 N ATOM 2021 CA VAL B 72 2.421 -2.003 -13.009 1.00 0.00 C ATOM 2022 C VAL B 72 2.586 -0.543 -12.641 1.00 0.00 C ATOM 2023 O VAL B 72 2.084 -0.099 -11.597 1.00 0.00 O ATOM 2024 CB VAL B 72 0.933 -2.323 -13.333 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.421 -1.471 -14.491 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.767 -3.806 -13.654 1.00 0.00 C ATOM 0 H VAL B 72 2.198 -2.943 -11.184 1.00 0.00 H new ATOM 0 HA VAL B 72 2.994 -2.241 -13.905 1.00 0.00 H new ATOM 0 HB VAL B 72 0.340 -2.082 -12.451 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.621 -1.719 -14.692 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.499 -0.416 -14.229 1.00 0.00 H new ATOM 0 HG13 VAL B 72 1.019 -1.669 -15.381 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.279 -4.015 -13.879 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.382 -4.063 -14.517 1.00 0.00 H new ATOM 0 HG23 VAL B 72 1.080 -4.401 -12.796 1.00 0.00 H new ATOM 2036 N ARG B 73 3.304 0.171 -13.470 1.00 0.00 N ATOM 2037 CA ARG B 73 3.621 1.552 -13.222 1.00 0.00 C ATOM 2038 C ARG B 73 2.414 2.438 -13.438 1.00 0.00 C ATOM 2039 O ARG B 73 1.842 2.496 -14.542 1.00 0.00 O ATOM 2040 CB ARG B 73 4.799 1.982 -14.099 1.00 0.00 C ATOM 2041 CG ARG B 73 5.228 3.439 -13.952 1.00 0.00 C ATOM 2042 CD ARG B 73 5.547 3.814 -12.506 1.00 0.00 C ATOM 2043 NE ARG B 73 6.497 2.898 -11.873 1.00 0.00 N ATOM 2044 CZ ARG B 73 7.801 3.118 -11.725 1.00 0.00 C ATOM 2045 NH1 ARG B 73 8.386 4.124 -12.369 1.00 0.00 N ATOM 2046 NH2 ARG B 73 8.525 2.314 -10.951 1.00 0.00 N ATOM 0 H ARG B 73 3.687 -0.193 -14.342 1.00 0.00 H new ATOM 0 HA ARG B 73 3.913 1.662 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.653 1.345 -13.869 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.538 1.801 -15.142 1.00 0.00 H new ATOM 0 HG2 ARG B 73 6.106 3.620 -14.573 1.00 0.00 H new ATOM 0 HG3 ARG B 73 4.435 4.087 -14.325 1.00 0.00 H new ATOM 0 HD2 ARG B 73 5.954 4.825 -12.480 1.00 0.00 H new ATOM 0 HD3 ARG B 73 4.623 3.827 -11.928 1.00 0.00 H new ATOM 0 HE ARG B 73 6.128 2.017 -11.515 1.00 0.00 H new ATOM 0 HH11 ARG B 73 7.835 4.729 -12.978 1.00 0.00 H new ATOM 0 HH12 ARG B 73 9.386 4.291 -12.254 1.00 0.00 H new ATOM 0 HH21 ARG B 73 8.080 1.531 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG B 73 9.525 2.481 -10.836 1.00 0.00 H new ATOM 2060 N VAL B 74 2.025 3.115 -12.396 1.00 0.00 N ATOM 2061 CA VAL B 74 0.887 3.988 -12.412 1.00 0.00 C ATOM 2062 C VAL B 74 1.193 5.314 -11.699 1.00 0.00 C ATOM 2063 O VAL B 74 2.317 5.560 -11.219 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.379 3.324 -11.757 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.906 2.161 -12.586 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.073 2.849 -10.351 1.00 0.00 C ATOM 0 H VAL B 74 2.499 3.075 -11.494 1.00 0.00 H new ATOM 0 HA VAL B 74 0.666 4.185 -13.461 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.153 4.091 -11.718 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.780 1.732 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -1.184 2.518 -13.578 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -0.132 1.399 -12.678 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -0.964 2.393 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.732 2.114 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.234 3.697 -9.739 1.00 0.00 H new ATOM 2076 N THR B 75 0.212 6.161 -11.700 1.00 0.00 N ATOM 2077 CA THR B 75 0.212 7.417 -11.020 1.00 0.00 C ATOM 2078 C THR B 75 -1.118 7.492 -10.289 1.00 0.00 C ATOM 2079 O THR B 75 -1.996 6.662 -10.545 1.00 0.00 O ATOM 2080 CB THR B 75 0.342 8.614 -12.008 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.676 8.535 -13.016 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.715 8.658 -12.667 1.00 0.00 C ATOM 0 H THR B 75 -0.658 5.984 -12.203 1.00 0.00 H new ATOM 0 HA THR B 75 1.064 7.483 -10.343 1.00 0.00 H new ATOM 0 HB THR B 75 0.217 9.530 -11.431 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.433 7.851 -13.674 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.764 9.507 -13.349 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.483 8.762 -11.901 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.881 7.736 -13.224 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.300 8.452 -9.424 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.560 8.576 -8.706 1.00 0.00 C ATOM 2092 C LEU B 76 -3.613 9.161 -9.593 1.00 0.00 C ATOM 2093 O LEU B 76 -4.795 8.887 -9.428 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.389 9.446 -7.484 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.441 8.912 -6.456 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.168 9.957 -5.410 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.003 7.666 -5.810 1.00 0.00 C ATOM 0 H LEU B 76 -0.603 9.160 -9.193 1.00 0.00 H new ATOM 0 HA LEU B 76 -2.871 7.579 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -2.041 10.429 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.364 9.588 -7.018 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.505 8.653 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.477 9.557 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.727 10.836 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.102 10.237 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.299 7.293 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -2.951 7.903 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.165 6.903 -6.571 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.175 9.923 -10.565 1.00 0.00 N ATOM 2110 CA ASP B 77 -4.089 10.600 -11.460 1.00 0.00 C ATOM 2111 C ASP B 77 -4.809 9.601 -12.349 1.00 0.00 C ATOM 2112 O ASP B 77 -5.984 9.768 -12.663 1.00 0.00 O ATOM 2113 CB ASP B 77 -3.365 11.642 -12.299 1.00 0.00 C ATOM 2114 CG ASP B 77 -4.328 12.517 -13.055 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -5.042 13.305 -12.413 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -4.365 12.470 -14.294 1.00 0.00 O ATOM 0 H ASP B 77 -2.188 10.092 -10.759 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.832 11.117 -10.852 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.742 12.260 -11.653 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.698 11.143 -13.002 1.00 0.00 H new ATOM 2121 N GLU B 78 -4.122 8.525 -12.687 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.699 7.506 -13.534 1.00 0.00 C ATOM 2123 C GLU B 78 -5.407 6.420 -12.713 1.00 0.00 C ATOM 2124 O GLU B 78 -5.875 5.413 -13.274 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.646 6.889 -14.446 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.537 6.173 -13.713 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.518 5.596 -14.645 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -0.550 6.303 -14.990 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -1.660 4.431 -15.040 1.00 0.00 O ATOM 0 H GLU B 78 -3.165 8.337 -12.387 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.449 7.992 -14.157 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.133 6.186 -15.122 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.211 7.675 -15.063 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.049 6.868 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -2.963 5.375 -13.105 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.448 6.580 -11.402 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.208 5.660 -10.582 1.00 0.00 C ATOM 2138 C LEU B 79 -7.654 6.104 -10.560 1.00 0.00 C ATOM 2139 O LEU B 79 -7.945 7.126 -9.930 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.670 5.563 -9.154 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.223 5.114 -8.986 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.901 4.950 -7.524 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -3.945 3.828 -9.745 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.514 5.431 -11.190 1.00 0.00 O ATOM 0 H LEU B 79 -4.973 7.325 -10.892 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.117 4.666 -11.021 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.777 6.541 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.305 4.872 -8.599 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.578 5.885 -9.407 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.865 4.629 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -4.043 5.901 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.562 4.201 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -2.904 3.539 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.596 3.037 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.136 3.984 -10.807 1.00 0.00 H new