USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 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 47 MET CE :methyl -134:sc= -0.245 (180deg=-1.2) USER MOD Set 1.2: A 50 CYS SG : rot 28:sc= 0.672 USER MOD Set 2.1: A 25 GLN : amide:sc= 0.995 K(o=2.2,f=-6!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -176:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl -154:sc= 0 (180deg=-0.972) USER MOD Set 3.2: A 3 TYR OH : rot -148:sc= 1.27 USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0174 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -100:sc= 1.29 (180deg=-0.0636) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.18) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= -0.356 (180deg=-0.392) USER MOD Single : A 36 SER OG : rot 51:sc= 0.317 USER MOD Single : A 42 ASN : amide:sc=-0.00376 K(o=-0.0038,f=-0.75) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= 1.26 (180deg=0.403) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.326 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -120:sc= 0.0373 USER MOD Single : A 58 SER OG : rot -109:sc= 0.462 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 15:sc= -1.21 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 140:sc= -0.0577 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 16:sc= 0.846 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.576) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.111 16.435 -4.382 1.00 0.00 N ATOM 2 CA MET A 1 10.441 15.028 -4.427 1.00 0.00 C ATOM 3 C MET A 1 9.175 14.236 -4.309 1.00 0.00 C ATOM 4 O MET A 1 8.344 14.505 -3.438 1.00 0.00 O ATOM 5 CB MET A 1 11.359 14.646 -3.274 1.00 0.00 C ATOM 6 CG MET A 1 11.947 13.242 -3.370 1.00 0.00 C ATOM 7 SD MET A 1 12.927 12.797 -1.912 1.00 0.00 S ATOM 8 CE MET A 1 13.585 11.200 -2.413 1.00 0.00 C ATOM 0 H1 MET A 1 10.895 16.962 -3.947 1.00 0.00 H new ATOM 0 H2 MET A 1 9.952 16.785 -5.348 1.00 0.00 H new ATOM 0 H3 MET A 1 9.248 16.571 -3.818 1.00 0.00 H new ATOM 0 HA MET A 1 10.951 14.818 -5.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.176 15.365 -3.224 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.803 14.730 -2.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.139 12.521 -3.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.574 13.174 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.802 10.602 -1.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.851 10.682 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.501 11.347 -2.985 1.00 0.00 H new ATOM 18 N ALA A 2 9.026 13.279 -5.158 1.00 0.00 N ATOM 19 CA ALA A 2 7.877 12.414 -5.148 1.00 0.00 C ATOM 20 C ALA A 2 8.265 11.075 -5.685 1.00 0.00 C ATOM 21 O ALA A 2 8.996 10.990 -6.674 1.00 0.00 O ATOM 22 CB ALA A 2 6.729 12.994 -5.966 1.00 0.00 C ATOM 0 H ALA A 2 9.702 13.065 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 2 7.529 12.316 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.879 12.312 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.436 13.958 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.049 13.127 -6.999 1.00 0.00 H new ATOM 28 N TYR A 3 7.821 10.050 -5.031 1.00 0.00 N ATOM 29 CA TYR A 3 8.086 8.701 -5.463 1.00 0.00 C ATOM 30 C TYR A 3 7.019 8.265 -6.448 1.00 0.00 C ATOM 31 O TYR A 3 5.963 8.920 -6.578 1.00 0.00 O ATOM 32 CB TYR A 3 8.111 7.736 -4.263 1.00 0.00 C ATOM 33 CG TYR A 3 9.300 7.877 -3.320 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.595 9.083 -2.690 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.111 6.783 -3.039 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.657 9.194 -1.819 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.179 6.888 -2.169 1.00 0.00 C ATOM 38 CZ TYR A 3 11.448 8.096 -1.563 1.00 0.00 C ATOM 39 OH TYR A 3 12.501 8.203 -0.681 1.00 0.00 O ATOM 0 H TYR A 3 7.263 10.117 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 3 9.064 8.676 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.197 7.879 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.092 6.714 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.980 9.948 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.902 5.834 -3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.868 10.138 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.800 6.028 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 3 13.224 7.604 -0.961 1.00 0.00 H new ATOM 49 N PHE A 4 7.286 7.201 -7.149 1.00 0.00 N ATOM 50 CA PHE A 4 6.317 6.633 -8.048 1.00 0.00 C ATOM 51 C PHE A 4 5.392 5.744 -7.249 1.00 0.00 C ATOM 52 O PHE A 4 5.752 5.304 -6.170 1.00 0.00 O ATOM 53 CB PHE A 4 7.003 5.809 -9.140 1.00 0.00 C ATOM 54 CG PHE A 4 7.959 6.580 -9.999 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.536 7.690 -10.702 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.277 6.174 -10.122 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.407 8.385 -11.510 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.155 6.868 -10.926 1.00 0.00 C ATOM 59 CZ PHE A 4 9.719 7.975 -11.623 1.00 0.00 C ATOM 0 H PHE A 4 8.176 6.703 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 4 5.758 7.435 -8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.541 4.985 -8.671 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.237 5.368 -9.778 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.510 8.017 -10.617 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.621 5.304 -9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.063 9.251 -12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.182 6.546 -11.010 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.404 8.520 -12.256 1.00 0.00 H new ATOM 69 N LEU A 5 4.223 5.500 -7.744 1.00 0.00 N ATOM 70 CA LEU A 5 3.285 4.636 -7.063 1.00 0.00 C ATOM 71 C LEU A 5 2.867 3.570 -8.059 1.00 0.00 C ATOM 72 O LEU A 5 2.503 3.897 -9.200 1.00 0.00 O ATOM 73 CB LEU A 5 2.056 5.467 -6.577 1.00 0.00 C ATOM 74 CG LEU A 5 1.122 4.865 -5.475 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.438 3.583 -5.894 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.868 4.655 -4.175 1.00 0.00 C ATOM 0 H LEU A 5 3.883 5.885 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 5 3.732 4.175 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.430 6.421 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.439 5.683 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 5 0.337 5.606 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.193 3.224 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.177 3.770 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.190 2.830 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.191 4.236 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.698 3.968 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.253 5.610 -3.818 1.00 0.00 H new ATOM 88 N ASP A 6 2.956 2.325 -7.681 1.00 0.00 N ATOM 89 CA ASP A 6 2.536 1.248 -8.557 1.00 0.00 C ATOM 90 C ASP A 6 1.828 0.186 -7.742 1.00 0.00 C ATOM 91 O ASP A 6 2.026 0.097 -6.531 1.00 0.00 O ATOM 92 CB ASP A 6 3.727 0.657 -9.329 1.00 0.00 C ATOM 93 CG ASP A 6 3.305 -0.300 -10.434 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.173 -0.175 -10.946 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.101 -1.172 -10.827 1.00 0.00 O ATOM 0 H ASP A 6 3.314 2.023 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 6 1.844 1.646 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.310 1.469 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.380 0.132 -8.632 1.00 0.00 H new ATOM 100 N PHE A 7 1.008 -0.593 -8.384 1.00 0.00 N ATOM 101 CA PHE A 7 0.221 -1.610 -7.717 1.00 0.00 C ATOM 102 C PHE A 7 0.551 -2.980 -8.269 1.00 0.00 C ATOM 103 O PHE A 7 0.785 -3.131 -9.480 1.00 0.00 O ATOM 104 CB PHE A 7 -1.285 -1.380 -7.938 1.00 0.00 C ATOM 105 CG PHE A 7 -1.863 -0.098 -7.403 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.839 1.062 -8.161 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.462 -0.065 -6.156 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.398 2.229 -7.682 1.00 0.00 C ATOM 109 CE2 PHE A 7 -3.019 1.100 -5.670 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.989 2.248 -6.435 1.00 0.00 C ATOM 0 H PHE A 7 0.859 -0.547 -9.392 1.00 0.00 H new ATOM 0 HA PHE A 7 0.459 -1.551 -6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.481 -1.419 -9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.825 -2.211 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.378 1.052 -9.137 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.494 -0.962 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.373 3.127 -8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.478 1.113 -4.692 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.427 3.160 -6.058 1.00 0.00 H new ATOM 120 N ASP A 8 0.579 -3.962 -7.396 1.00 0.00 N ATOM 121 CA ASP A 8 0.698 -5.367 -7.794 1.00 0.00 C ATOM 122 C ASP A 8 -0.587 -5.773 -8.519 1.00 0.00 C ATOM 123 O ASP A 8 -1.627 -5.144 -8.304 1.00 0.00 O ATOM 124 CB ASP A 8 0.896 -6.255 -6.553 1.00 0.00 C ATOM 125 CG ASP A 8 1.025 -7.719 -6.896 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.006 -8.405 -6.972 1.00 0.00 O ATOM 127 OD2 ASP A 8 2.149 -8.195 -7.101 1.00 0.00 O ATOM 0 H ASP A 8 0.521 -3.820 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 8 1.559 -5.494 -8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.790 -5.931 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.053 -6.118 -5.876 1.00 0.00 H new ATOM 132 N GLU A 9 -0.533 -6.778 -9.384 1.00 0.00 N ATOM 133 CA GLU A 9 -1.721 -7.204 -10.109 1.00 0.00 C ATOM 134 C GLU A 9 -2.863 -7.657 -9.181 1.00 0.00 C ATOM 135 O GLU A 9 -4.026 -7.468 -9.509 1.00 0.00 O ATOM 136 CB GLU A 9 -1.395 -8.209 -11.244 1.00 0.00 C ATOM 137 CG GLU A 9 -0.693 -9.514 -10.849 1.00 0.00 C ATOM 138 CD GLU A 9 -1.597 -10.560 -10.221 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.779 -10.657 -10.602 1.00 0.00 O ATOM 140 OE2 GLU A 9 -1.118 -11.343 -9.387 1.00 0.00 O ATOM 0 H GLU A 9 0.312 -7.308 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.109 -6.318 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.328 -8.466 -11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.770 -7.699 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.228 -9.942 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.110 -9.281 -10.149 1.00 0.00 H new ATOM 147 N ARG A 10 -2.524 -8.189 -8.001 1.00 0.00 N ATOM 148 CA ARG A 10 -3.541 -8.566 -7.015 1.00 0.00 C ATOM 149 C ARG A 10 -4.122 -7.306 -6.438 1.00 0.00 C ATOM 150 O ARG A 10 -5.337 -7.159 -6.316 1.00 0.00 O ATOM 151 CB ARG A 10 -2.935 -9.382 -5.871 1.00 0.00 C ATOM 152 CG ARG A 10 -2.233 -10.634 -6.311 1.00 0.00 C ATOM 153 CD ARG A 10 -3.179 -11.668 -6.862 1.00 0.00 C ATOM 154 NE ARG A 10 -2.420 -12.740 -7.489 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.357 -14.009 -7.081 1.00 0.00 C ATOM 156 NH1 ARG A 10 -3.002 -14.396 -5.984 1.00 0.00 N ATOM 157 NH2 ARG A 10 -1.627 -14.884 -7.764 1.00 0.00 N ATOM 0 H ARG A 10 -1.563 -8.367 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.299 -9.173 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.228 -8.755 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.727 -9.650 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.493 -10.383 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.691 -11.058 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.801 -12.069 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.850 -11.211 -7.589 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.884 -12.498 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.549 -13.721 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.950 -15.367 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.118 -14.585 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.575 -15.855 -7.457 1.00 0.00 H new ATOM 171 N ALA A 11 -3.231 -6.367 -6.149 1.00 0.00 N ATOM 172 CA ALA A 11 -3.591 -5.101 -5.554 1.00 0.00 C ATOM 173 C ALA A 11 -4.512 -4.312 -6.467 1.00 0.00 C ATOM 174 O ALA A 11 -5.421 -3.674 -5.994 1.00 0.00 O ATOM 175 CB ALA A 11 -2.351 -4.293 -5.198 1.00 0.00 C ATOM 0 H ALA A 11 -2.232 -6.470 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.132 -5.307 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.650 -3.345 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.744 -4.853 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.770 -4.102 -6.100 1.00 0.00 H new ATOM 181 N LEU A 12 -4.291 -4.401 -7.780 1.00 0.00 N ATOM 182 CA LEU A 12 -5.139 -3.726 -8.754 1.00 0.00 C ATOM 183 C LEU A 12 -6.550 -4.258 -8.695 1.00 0.00 C ATOM 184 O LEU A 12 -7.520 -3.494 -8.703 1.00 0.00 O ATOM 185 CB LEU A 12 -4.596 -3.904 -10.170 1.00 0.00 C ATOM 186 CG LEU A 12 -3.385 -3.065 -10.557 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.891 -3.482 -11.934 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.758 -1.581 -10.566 1.00 0.00 C ATOM 0 H LEU A 12 -3.527 -4.938 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.142 -2.665 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.337 -4.954 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.400 -3.682 -10.872 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.592 -3.226 -9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.025 -2.880 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.610 -4.535 -11.916 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.684 -3.331 -12.666 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.886 -0.988 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.557 -1.411 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.097 -1.285 -9.573 1.00 0.00 H new ATOM 200 N LYS A 13 -6.651 -5.559 -8.598 1.00 0.00 N ATOM 201 CA LYS A 13 -7.927 -6.229 -8.559 1.00 0.00 C ATOM 202 C LYS A 13 -8.666 -5.868 -7.297 1.00 0.00 C ATOM 203 O LYS A 13 -9.834 -5.521 -7.350 1.00 0.00 O ATOM 204 CB LYS A 13 -7.705 -7.725 -8.631 1.00 0.00 C ATOM 205 CG LYS A 13 -7.031 -8.153 -9.909 1.00 0.00 C ATOM 206 CD LYS A 13 -6.507 -9.555 -9.809 1.00 0.00 C ATOM 207 CE LYS A 13 -5.844 -9.972 -11.096 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.312 -11.341 -11.022 1.00 0.00 N ATOM 0 H LYS A 13 -5.848 -6.186 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.530 -5.913 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.098 -8.039 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.664 -8.235 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.739 -8.086 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.211 -7.472 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.793 -9.623 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.325 -10.238 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.563 -9.906 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.034 -9.280 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.288 -11.306 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.782 -11.855 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.489 -11.831 -11.922 1.00 0.00 H new ATOM 222 N GLU A 14 -7.953 -5.876 -6.176 1.00 0.00 N ATOM 223 CA GLU A 14 -8.536 -5.547 -4.894 1.00 0.00 C ATOM 224 C GLU A 14 -8.913 -4.061 -4.834 1.00 0.00 C ATOM 225 O GLU A 14 -9.929 -3.701 -4.293 1.00 0.00 O ATOM 226 CB GLU A 14 -7.568 -5.892 -3.772 1.00 0.00 C ATOM 227 CG GLU A 14 -7.119 -7.347 -3.758 1.00 0.00 C ATOM 228 CD GLU A 14 -8.247 -8.339 -3.601 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.840 -8.438 -2.498 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.553 -9.055 -4.560 1.00 0.00 O ATOM 0 H GLU A 14 -6.961 -6.110 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.445 -6.136 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.689 -5.253 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.039 -5.660 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.588 -7.561 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.409 -7.489 -2.944 1.00 0.00 H new ATOM 237 N TRP A 15 -8.087 -3.233 -5.426 1.00 0.00 N ATOM 238 CA TRP A 15 -8.280 -1.784 -5.483 1.00 0.00 C ATOM 239 C TRP A 15 -9.563 -1.428 -6.252 1.00 0.00 C ATOM 240 O TRP A 15 -10.360 -0.580 -5.827 1.00 0.00 O ATOM 241 CB TRP A 15 -7.043 -1.174 -6.161 1.00 0.00 C ATOM 242 CG TRP A 15 -7.046 0.295 -6.345 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.214 0.965 -7.516 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.849 1.282 -5.338 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.139 2.311 -7.297 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.917 2.533 -5.967 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.623 1.226 -3.962 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.768 3.719 -5.271 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.474 2.404 -3.272 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.547 3.635 -3.926 1.00 0.00 C ATOM 0 H TRP A 15 -7.237 -3.545 -5.897 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.394 -1.380 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.165 -1.442 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.926 -1.640 -7.139 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.382 0.502 -8.477 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.233 3.034 -8.011 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.566 0.276 -3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.824 4.674 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -6.298 2.378 -2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.426 4.543 -3.354 1.00 0.00 H new ATOM 261 N ARG A 16 -9.756 -2.073 -7.375 1.00 0.00 N ATOM 262 CA ARG A 16 -10.938 -1.850 -8.183 1.00 0.00 C ATOM 263 C ARG A 16 -12.163 -2.525 -7.556 1.00 0.00 C ATOM 264 O ARG A 16 -13.299 -2.124 -7.795 1.00 0.00 O ATOM 265 CB ARG A 16 -10.691 -2.310 -9.609 1.00 0.00 C ATOM 266 CG ARG A 16 -9.551 -1.549 -10.274 1.00 0.00 C ATOM 267 CD ARG A 16 -9.269 -2.065 -11.662 1.00 0.00 C ATOM 268 NE ARG A 16 -8.079 -1.440 -12.259 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.345 -1.997 -13.242 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.727 -3.154 -13.788 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.249 -1.390 -13.682 1.00 0.00 N ATOM 0 H ARG A 16 -9.108 -2.762 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.151 -0.782 -8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.462 -3.376 -9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.602 -2.179 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.802 -0.489 -10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.652 -1.635 -9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.129 -3.145 -11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.133 -1.878 -12.299 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.791 -0.527 -11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.575 -3.617 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.171 -3.575 -14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.961 -0.500 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.695 -1.814 -14.426 1.00 0.00 H new ATOM 285 N LYS A 17 -11.895 -3.516 -6.741 1.00 0.00 N ATOM 286 CA LYS A 17 -12.886 -4.281 -5.979 1.00 0.00 C ATOM 287 C LYS A 17 -13.369 -3.484 -4.765 1.00 0.00 C ATOM 288 O LYS A 17 -14.518 -3.625 -4.322 1.00 0.00 O ATOM 289 CB LYS A 17 -12.194 -5.566 -5.533 1.00 0.00 C ATOM 290 CG LYS A 17 -12.838 -6.375 -4.444 1.00 0.00 C ATOM 291 CD LYS A 17 -11.912 -7.514 -4.075 1.00 0.00 C ATOM 292 CE LYS A 17 -12.392 -8.279 -2.879 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.462 -9.375 -2.536 1.00 0.00 N ATOM 0 H LYS A 17 -10.941 -3.836 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.763 -4.497 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.088 -6.208 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.188 -5.306 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.033 -5.749 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.800 -6.763 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.820 -8.192 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.917 -7.118 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.492 -7.604 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.382 -8.688 -3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.775 -9.833 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.451 -10.075 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.505 -8.990 -2.405 1.00 0.00 H new ATOM 307 N LEU A 18 -12.480 -2.678 -4.235 1.00 0.00 N ATOM 308 CA LEU A 18 -12.741 -1.824 -3.093 1.00 0.00 C ATOM 309 C LEU A 18 -13.850 -0.834 -3.374 1.00 0.00 C ATOM 310 O LEU A 18 -14.077 -0.443 -4.525 1.00 0.00 O ATOM 311 CB LEU A 18 -11.472 -1.068 -2.715 1.00 0.00 C ATOM 312 CG LEU A 18 -10.832 -1.408 -1.369 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.473 -2.882 -1.266 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.606 -0.554 -1.167 1.00 0.00 C ATOM 0 H LEU A 18 -11.529 -2.593 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.059 -2.462 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.731 -1.241 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.699 -0.002 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.560 -1.200 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.021 -3.079 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.375 -3.485 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.766 -3.140 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.149 -0.795 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.892 -0.747 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.890 0.498 -1.179 1.00 0.00 H new ATOM 326 N GLY A 19 -14.528 -0.440 -2.329 1.00 0.00 N ATOM 327 CA GLY A 19 -15.591 0.511 -2.430 1.00 0.00 C ATOM 328 C GLY A 19 -15.050 1.867 -2.765 1.00 0.00 C ATOM 329 O GLY A 19 -13.939 2.213 -2.330 1.00 0.00 O ATOM 0 H GLY A 19 -14.354 -0.774 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.298 0.195 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.140 0.554 -1.489 1.00 0.00 H new ATOM 333 N SER A 20 -15.821 2.630 -3.511 1.00 0.00 N ATOM 334 CA SER A 20 -15.438 3.938 -4.013 1.00 0.00 C ATOM 335 C SER A 20 -14.861 4.844 -2.912 1.00 0.00 C ATOM 336 O SER A 20 -13.724 5.282 -3.004 1.00 0.00 O ATOM 337 CB SER A 20 -16.661 4.577 -4.652 1.00 0.00 C ATOM 338 OG SER A 20 -17.254 3.675 -5.585 1.00 0.00 O ATOM 0 H SER A 20 -16.760 2.351 -3.795 1.00 0.00 H new ATOM 0 HA SER A 20 -14.643 3.813 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.385 4.845 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.377 5.500 -5.157 1.00 0.00 H new ATOM 0 HG SER A 20 -18.042 4.094 -5.990 1.00 0.00 H new ATOM 344 N THR A 21 -15.608 5.019 -1.853 1.00 0.00 N ATOM 345 CA THR A 21 -15.234 5.901 -0.756 1.00 0.00 C ATOM 346 C THR A 21 -13.951 5.411 -0.057 1.00 0.00 C ATOM 347 O THR A 21 -13.097 6.213 0.356 1.00 0.00 O ATOM 348 CB THR A 21 -16.399 5.972 0.248 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.602 6.286 -0.476 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.161 7.044 1.310 1.00 0.00 C ATOM 0 H THR A 21 -16.505 4.552 -1.718 1.00 0.00 H new ATOM 0 HA THR A 21 -15.029 6.894 -1.155 1.00 0.00 H new ATOM 0 HB THR A 21 -16.483 5.010 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.356 6.334 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.004 7.065 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.247 6.816 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.062 8.017 0.829 1.00 0.00 H new ATOM 358 N VAL A 22 -13.797 4.104 0.009 1.00 0.00 N ATOM 359 CA VAL A 22 -12.655 3.509 0.661 1.00 0.00 C ATOM 360 C VAL A 22 -11.404 3.770 -0.164 1.00 0.00 C ATOM 361 O VAL A 22 -10.400 4.267 0.348 1.00 0.00 O ATOM 362 CB VAL A 22 -12.859 1.974 0.808 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.657 1.310 1.445 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.116 1.667 1.604 1.00 0.00 C ATOM 0 H VAL A 22 -14.455 3.432 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.545 3.952 1.651 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.974 1.565 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.836 0.238 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.776 1.482 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.492 1.731 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.236 0.587 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.033 2.106 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.982 2.088 1.093 1.00 0.00 H new ATOM 374 N ARG A 23 -11.500 3.499 -1.444 1.00 0.00 N ATOM 375 CA ARG A 23 -10.384 3.698 -2.335 1.00 0.00 C ATOM 376 C ARG A 23 -10.043 5.166 -2.557 1.00 0.00 C ATOM 377 O ARG A 23 -8.879 5.497 -2.711 1.00 0.00 O ATOM 378 CB ARG A 23 -10.529 2.953 -3.640 1.00 0.00 C ATOM 379 CG ARG A 23 -11.795 3.241 -4.385 1.00 0.00 C ATOM 380 CD ARG A 23 -11.667 2.783 -5.794 1.00 0.00 C ATOM 381 NE ARG A 23 -12.934 2.882 -6.520 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.549 1.843 -7.111 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.984 0.632 -7.096 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.723 2.019 -7.710 1.00 0.00 N ATOM 0 H ARG A 23 -12.343 3.139 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.531 3.260 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.682 3.200 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.476 1.883 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.633 2.737 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.008 4.310 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.910 3.381 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.320 1.750 -5.809 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.379 3.798 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.084 0.495 -6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.452 -0.155 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.157 2.942 -7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.190 1.231 -8.159 1.00 0.00 H new ATOM 398 N GLU A 24 -11.056 6.037 -2.596 1.00 0.00 N ATOM 399 CA GLU A 24 -10.826 7.472 -2.767 1.00 0.00 C ATOM 400 C GLU A 24 -9.924 7.996 -1.684 1.00 0.00 C ATOM 401 O GLU A 24 -8.915 8.640 -1.970 1.00 0.00 O ATOM 402 CB GLU A 24 -12.129 8.262 -2.772 1.00 0.00 C ATOM 403 CG GLU A 24 -12.964 8.069 -4.013 1.00 0.00 C ATOM 404 CD GLU A 24 -14.255 8.825 -3.948 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.234 10.071 -4.026 1.00 0.00 O ATOM 406 OE2 GLU A 24 -15.325 8.192 -3.855 1.00 0.00 O ATOM 0 H GLU A 24 -12.038 5.774 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.346 7.604 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.719 7.974 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.899 9.322 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.397 8.395 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.173 7.008 -4.147 1.00 0.00 H new ATOM 413 N GLN A 25 -10.247 7.671 -0.451 1.00 0.00 N ATOM 414 CA GLN A 25 -9.463 8.128 0.668 1.00 0.00 C ATOM 415 C GLN A 25 -8.081 7.475 0.693 1.00 0.00 C ATOM 416 O GLN A 25 -7.094 8.113 1.065 1.00 0.00 O ATOM 417 CB GLN A 25 -10.221 7.943 1.977 1.00 0.00 C ATOM 418 CG GLN A 25 -11.132 9.106 2.382 1.00 0.00 C ATOM 419 CD GLN A 25 -12.032 9.620 1.273 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.672 10.537 0.538 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.180 9.037 1.135 1.00 0.00 N ATOM 0 H GLN A 25 -11.048 7.091 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.293 9.198 0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.826 7.040 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.498 7.776 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.754 8.789 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.512 9.928 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.446 8.279 1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.818 9.336 0.398 1.00 0.00 H new ATOM 430 N LEU A 26 -8.010 6.221 0.278 1.00 0.00 N ATOM 431 CA LEU A 26 -6.732 5.520 0.203 1.00 0.00 C ATOM 432 C LEU A 26 -5.829 6.118 -0.862 1.00 0.00 C ATOM 433 O LEU A 26 -4.639 6.295 -0.630 1.00 0.00 O ATOM 434 CB LEU A 26 -6.917 4.037 -0.048 1.00 0.00 C ATOM 435 CG LEU A 26 -7.511 3.218 1.111 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.707 1.784 0.691 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.599 3.276 2.336 1.00 0.00 C ATOM 0 H LEU A 26 -8.816 5.667 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.252 5.645 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.562 3.915 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.948 3.610 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.477 3.650 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.128 1.216 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.388 1.744 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.747 1.354 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.037 2.690 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.621 2.868 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.487 4.311 2.658 1.00 0.00 H new ATOM 449 N LYS A 27 -6.394 6.436 -2.025 1.00 0.00 N ATOM 450 CA LYS A 27 -5.633 7.066 -3.099 1.00 0.00 C ATOM 451 C LYS A 27 -5.044 8.393 -2.620 1.00 0.00 C ATOM 452 O LYS A 27 -3.892 8.723 -2.910 1.00 0.00 O ATOM 453 CB LYS A 27 -6.510 7.326 -4.315 1.00 0.00 C ATOM 454 CG LYS A 27 -5.727 7.931 -5.473 1.00 0.00 C ATOM 455 CD LYS A 27 -6.606 8.420 -6.611 1.00 0.00 C ATOM 456 CE LYS A 27 -7.375 9.667 -6.217 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.146 10.212 -7.344 1.00 0.00 N ATOM 0 H LYS A 27 -7.375 6.267 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.831 6.383 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.967 6.390 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.322 7.998 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.131 8.764 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.030 7.187 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.989 8.631 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.305 7.634 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.050 9.433 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.679 10.423 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.658 11.063 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.499 10.459 -8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.827 9.500 -7.675 1.00 0.00 H new ATOM 471 N LYS A 28 -5.849 9.142 -1.886 1.00 0.00 N ATOM 472 CA LYS A 28 -5.422 10.407 -1.300 1.00 0.00 C ATOM 473 C LYS A 28 -4.238 10.190 -0.374 1.00 0.00 C ATOM 474 O LYS A 28 -3.271 10.951 -0.391 1.00 0.00 O ATOM 475 CB LYS A 28 -6.566 11.061 -0.546 1.00 0.00 C ATOM 476 CG LYS A 28 -7.731 11.412 -1.432 1.00 0.00 C ATOM 477 CD LYS A 28 -8.852 12.031 -0.645 1.00 0.00 C ATOM 478 CE LYS A 28 -10.009 12.392 -1.546 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.152 12.901 -0.776 1.00 0.00 N ATOM 0 H LYS A 28 -6.816 8.893 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.116 11.072 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.906 10.389 0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.202 11.965 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.404 12.104 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.090 10.515 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.188 11.336 0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.492 12.924 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.690 13.145 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.315 11.515 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.952 13.075 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.428 12.199 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.886 13.789 -0.305 1.00 0.00 H new ATOM 493 N LYS A 29 -4.303 9.119 0.397 1.00 0.00 N ATOM 494 CA LYS A 29 -3.224 8.740 1.279 1.00 0.00 C ATOM 495 C LYS A 29 -1.973 8.378 0.523 1.00 0.00 C ATOM 496 O LYS A 29 -0.867 8.647 0.985 1.00 0.00 O ATOM 497 CB LYS A 29 -3.631 7.623 2.228 1.00 0.00 C ATOM 498 CG LYS A 29 -3.998 8.121 3.610 1.00 0.00 C ATOM 499 CD LYS A 29 -5.132 9.115 3.584 1.00 0.00 C ATOM 500 CE LYS A 29 -5.328 9.729 4.944 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.133 10.496 5.379 1.00 0.00 N ATOM 0 H LYS A 29 -5.106 8.491 0.426 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.997 9.619 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.480 7.086 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.812 6.909 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.277 7.273 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.125 8.583 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.922 9.896 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.050 8.620 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.196 10.388 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.541 8.944 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.312 10.918 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.314 9.858 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.935 11.250 4.691 1.00 0.00 H new ATOM 515 N LEU A 30 -2.146 7.781 -0.625 1.00 0.00 N ATOM 516 CA LEU A 30 -1.036 7.424 -1.473 1.00 0.00 C ATOM 517 C LEU A 30 -0.376 8.665 -2.049 1.00 0.00 C ATOM 518 O LEU A 30 0.837 8.812 -1.981 1.00 0.00 O ATOM 519 CB LEU A 30 -1.484 6.495 -2.597 1.00 0.00 C ATOM 520 CG LEU A 30 -2.079 5.161 -2.160 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.502 4.348 -3.367 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.087 4.389 -1.301 1.00 0.00 C ATOM 0 H LEU A 30 -3.060 7.527 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.306 6.895 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.223 7.019 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.627 6.295 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.966 5.357 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.924 3.399 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.251 4.901 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.635 4.158 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.529 3.440 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.179 4.200 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.841 4.974 -0.414 1.00 0.00 H new ATOM 534 N VAL A 31 -1.176 9.582 -2.572 1.00 0.00 N ATOM 535 CA VAL A 31 -0.628 10.775 -3.188 1.00 0.00 C ATOM 536 C VAL A 31 0.072 11.685 -2.157 1.00 0.00 C ATOM 537 O VAL A 31 1.135 12.240 -2.448 1.00 0.00 O ATOM 538 CB VAL A 31 -1.665 11.561 -4.069 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.795 12.161 -3.259 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.980 12.623 -4.909 1.00 0.00 C ATOM 0 H VAL A 31 -2.194 9.523 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 31 0.135 10.426 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.115 10.827 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.478 12.691 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.334 11.367 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.388 12.858 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.724 13.149 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.472 13.332 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.252 12.151 -5.569 1.00 0.00 H new ATOM 550 N GLU A 32 -0.492 11.805 -0.950 1.00 0.00 N ATOM 551 CA GLU A 32 0.141 12.601 0.100 1.00 0.00 C ATOM 552 C GLU A 32 1.443 11.930 0.577 1.00 0.00 C ATOM 553 O GLU A 32 2.489 12.587 0.709 1.00 0.00 O ATOM 554 CB GLU A 32 -0.819 12.850 1.303 1.00 0.00 C ATOM 555 CG GLU A 32 -1.328 11.577 1.948 1.00 0.00 C ATOM 556 CD GLU A 32 -2.167 11.758 3.193 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.370 12.073 3.096 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.662 11.483 4.301 1.00 0.00 O ATOM 0 H GLU A 32 -1.373 11.367 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 32 0.382 13.573 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.300 13.445 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.670 13.440 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.918 11.030 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.471 10.952 2.198 1.00 0.00 H new ATOM 565 N VAL A 33 1.393 10.616 0.757 1.00 0.00 N ATOM 566 CA VAL A 33 2.504 9.868 1.310 1.00 0.00 C ATOM 567 C VAL A 33 3.730 9.912 0.397 1.00 0.00 C ATOM 568 O VAL A 33 4.837 9.904 0.868 1.00 0.00 O ATOM 569 CB VAL A 33 2.135 8.406 1.724 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.123 7.430 0.553 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.022 7.926 2.848 1.00 0.00 C ATOM 0 H VAL A 33 0.581 10.044 0.523 1.00 0.00 H new ATOM 0 HA VAL A 33 2.765 10.375 2.239 1.00 0.00 H new ATOM 0 HB VAL A 33 1.108 8.435 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.859 6.435 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.390 7.756 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.111 7.400 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.747 6.907 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.063 7.947 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.898 8.577 3.713 1.00 0.00 H new ATOM 581 N LEU A 34 3.497 10.013 -0.909 1.00 0.00 N ATOM 582 CA LEU A 34 4.552 10.025 -1.931 1.00 0.00 C ATOM 583 C LEU A 34 5.630 11.084 -1.704 1.00 0.00 C ATOM 584 O LEU A 34 6.749 10.929 -2.206 1.00 0.00 O ATOM 585 CB LEU A 34 3.972 10.196 -3.337 1.00 0.00 C ATOM 586 CG LEU A 34 3.159 9.028 -3.889 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.592 9.377 -5.253 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.021 7.776 -3.979 1.00 0.00 C ATOM 0 H LEU A 34 2.557 10.090 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 34 5.031 9.050 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.338 11.083 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.796 10.392 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 34 2.331 8.831 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.015 8.534 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.945 10.250 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.408 9.598 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.426 6.952 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.867 7.963 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.388 7.515 -2.986 1.00 0.00 H new ATOM 600 N GLU A 35 5.311 12.174 -1.003 1.00 0.00 N ATOM 601 CA GLU A 35 6.332 13.195 -0.766 1.00 0.00 C ATOM 602 C GLU A 35 7.334 12.736 0.307 1.00 0.00 C ATOM 603 O GLU A 35 8.490 13.154 0.308 1.00 0.00 O ATOM 604 CB GLU A 35 5.725 14.559 -0.411 1.00 0.00 C ATOM 605 CG GLU A 35 4.961 14.603 0.895 1.00 0.00 C ATOM 606 CD GLU A 35 4.398 15.965 1.177 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.163 16.879 1.538 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.175 16.154 1.074 1.00 0.00 O ATOM 0 H GLU A 35 4.393 12.369 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 35 6.872 13.326 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.527 15.296 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.055 14.862 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.150 13.876 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.622 14.309 1.711 1.00 0.00 H new ATOM 615 N SER A 36 6.895 11.845 1.182 1.00 0.00 N ATOM 616 CA SER A 36 7.724 11.319 2.245 1.00 0.00 C ATOM 617 C SER A 36 7.167 9.964 2.732 1.00 0.00 C ATOM 618 O SER A 36 6.510 9.896 3.759 1.00 0.00 O ATOM 619 CB SER A 36 7.821 12.340 3.404 1.00 0.00 C ATOM 620 OG SER A 36 6.521 12.703 3.884 1.00 0.00 O ATOM 0 H SER A 36 5.948 11.467 1.171 1.00 0.00 H new ATOM 0 HA SER A 36 8.731 11.151 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.407 11.915 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.348 13.231 3.064 1.00 0.00 H new ATOM 0 HG SER A 36 6.006 11.892 4.080 1.00 0.00 H new ATOM 626 N PRO A 37 7.346 8.880 1.949 1.00 0.00 N ATOM 627 CA PRO A 37 6.808 7.562 2.308 1.00 0.00 C ATOM 628 C PRO A 37 7.710 6.763 3.235 1.00 0.00 C ATOM 629 O PRO A 37 7.358 5.692 3.663 1.00 0.00 O ATOM 630 CB PRO A 37 6.675 6.873 0.956 1.00 0.00 C ATOM 631 CG PRO A 37 7.795 7.435 0.151 1.00 0.00 C ATOM 632 CD PRO A 37 7.976 8.862 0.612 1.00 0.00 C ATOM 0 HA PRO A 37 5.876 7.648 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.756 5.790 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.709 7.081 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.708 6.859 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.565 7.397 -0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.030 9.136 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.495 9.566 -0.067 1.00 0.00 H new ATOM 640 N ARG A 38 8.841 7.316 3.573 1.00 0.00 N ATOM 641 CA ARG A 38 9.820 6.634 4.417 1.00 0.00 C ATOM 642 C ARG A 38 9.583 6.864 5.926 1.00 0.00 C ATOM 643 O ARG A 38 10.516 6.816 6.727 1.00 0.00 O ATOM 644 CB ARG A 38 11.256 7.007 3.978 1.00 0.00 C ATOM 645 CG ARG A 38 11.510 8.494 3.650 1.00 0.00 C ATOM 646 CD ARG A 38 11.285 9.441 4.829 1.00 0.00 C ATOM 647 NE ARG A 38 12.084 9.080 5.994 1.00 0.00 N ATOM 648 CZ ARG A 38 12.554 9.935 6.901 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.455 11.250 6.716 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.156 9.472 7.979 1.00 0.00 N ATOM 0 H ARG A 38 9.123 8.251 3.279 1.00 0.00 H new ATOM 0 HA ARG A 38 9.689 5.562 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.943 6.710 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.509 6.415 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.535 8.607 3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.856 8.791 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.530 10.459 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.229 9.434 5.100 1.00 0.00 H new ATOM 0 HE ARG A 38 12.301 8.092 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.015 11.614 5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.819 11.893 7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.259 8.466 8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.519 10.120 8.678 1.00 0.00 H new ATOM 664 N ILE A 39 8.341 7.000 6.303 1.00 0.00 N ATOM 665 CA ILE A 39 7.973 7.295 7.681 1.00 0.00 C ATOM 666 C ILE A 39 7.954 6.001 8.505 1.00 0.00 C ATOM 667 O ILE A 39 7.095 5.136 8.305 1.00 0.00 O ATOM 668 CB ILE A 39 6.588 8.005 7.732 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.671 9.341 6.973 1.00 0.00 C ATOM 670 CG2 ILE A 39 6.124 8.223 9.173 1.00 0.00 C ATOM 671 CD1 ILE A 39 5.362 10.096 6.865 1.00 0.00 C ATOM 0 H ILE A 39 7.546 6.911 5.670 1.00 0.00 H new ATOM 0 HA ILE A 39 8.714 7.969 8.111 1.00 0.00 H new ATOM 0 HB ILE A 39 5.849 7.364 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.402 9.979 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.047 9.148 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.154 8.721 9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.037 7.260 9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.850 8.844 9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.521 11.023 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.630 9.483 6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.991 10.326 7.864 1.00 0.00 H new ATOM 683 N GLU A 40 8.899 5.898 9.443 1.00 0.00 N ATOM 684 CA GLU A 40 9.113 4.685 10.249 1.00 0.00 C ATOM 685 C GLU A 40 7.880 4.250 11.035 1.00 0.00 C ATOM 686 O GLU A 40 7.674 3.063 11.264 1.00 0.00 O ATOM 687 CB GLU A 40 10.294 4.845 11.199 1.00 0.00 C ATOM 688 CG GLU A 40 10.165 6.018 12.147 1.00 0.00 C ATOM 689 CD GLU A 40 11.238 6.055 13.191 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.199 5.234 14.133 1.00 0.00 O ATOM 691 OE2 GLU A 40 12.134 6.908 13.098 1.00 0.00 O ATOM 0 H GLU A 40 9.543 6.656 9.669 1.00 0.00 H new ATOM 0 HA GLU A 40 9.331 3.898 9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.405 3.930 11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.206 4.963 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.193 6.945 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.192 5.975 12.637 1.00 0.00 H new ATOM 698 N ALA A 41 7.044 5.207 11.396 1.00 0.00 N ATOM 699 CA ALA A 41 5.855 4.937 12.189 1.00 0.00 C ATOM 700 C ALA A 41 4.827 4.123 11.407 1.00 0.00 C ATOM 701 O ALA A 41 3.914 3.541 11.982 1.00 0.00 O ATOM 702 CB ALA A 41 5.245 6.238 12.679 1.00 0.00 C ATOM 0 H ALA A 41 7.168 6.189 11.150 1.00 0.00 H new ATOM 0 HA ALA A 41 6.157 4.340 13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.356 6.023 13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.970 6.771 13.294 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.971 6.856 11.824 1.00 0.00 H new ATOM 708 N ASN A 42 4.987 4.067 10.101 1.00 0.00 N ATOM 709 CA ASN A 42 4.047 3.343 9.265 1.00 0.00 C ATOM 710 C ASN A 42 4.595 2.002 8.839 1.00 0.00 C ATOM 711 O ASN A 42 3.896 1.235 8.179 1.00 0.00 O ATOM 712 CB ASN A 42 3.648 4.157 8.018 1.00 0.00 C ATOM 713 CG ASN A 42 2.786 5.368 8.317 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.021 5.388 9.282 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.882 6.379 7.486 1.00 0.00 N ATOM 0 H ASN A 42 5.754 4.511 9.596 1.00 0.00 H new ATOM 0 HA ASN A 42 3.158 3.179 9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.553 4.486 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.112 3.505 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.313 7.213 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.526 6.331 6.696 1.00 0.00 H new ATOM 722 N LYS A 43 5.816 1.692 9.236 1.00 0.00 N ATOM 723 CA LYS A 43 6.454 0.463 8.794 1.00 0.00 C ATOM 724 C LYS A 43 5.868 -0.747 9.490 1.00 0.00 C ATOM 725 O LYS A 43 5.449 -0.675 10.653 1.00 0.00 O ATOM 726 CB LYS A 43 7.984 0.506 8.987 1.00 0.00 C ATOM 727 CG LYS A 43 8.622 1.689 8.320 1.00 0.00 C ATOM 728 CD LYS A 43 10.146 1.673 8.346 1.00 0.00 C ATOM 729 CE LYS A 43 10.726 0.760 7.269 1.00 0.00 C ATOM 730 NZ LYS A 43 12.198 0.900 7.153 1.00 0.00 N ATOM 0 H LYS A 43 6.383 2.268 9.858 1.00 0.00 H new ATOM 0 HA LYS A 43 6.255 0.374 7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.210 0.530 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.422 -0.409 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.288 1.732 7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.271 2.599 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.522 2.686 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.489 1.341 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.478 -0.276 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.263 0.992 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.461 0.978 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.506 1.755 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.660 0.066 7.569 1.00 0.00 H new ATOM 744 N LEU A 44 5.787 -1.831 8.764 1.00 0.00 N ATOM 745 CA LEU A 44 5.348 -3.077 9.313 1.00 0.00 C ATOM 746 C LEU A 44 6.451 -3.643 10.163 1.00 0.00 C ATOM 747 O LEU A 44 7.626 -3.655 9.754 1.00 0.00 O ATOM 748 CB LEU A 44 4.967 -4.075 8.222 1.00 0.00 C ATOM 749 CG LEU A 44 3.748 -3.763 7.370 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.478 -4.905 6.414 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.553 -3.527 8.242 1.00 0.00 C ATOM 0 H LEU A 44 6.025 -1.870 7.773 1.00 0.00 H new ATOM 0 HA LEU A 44 4.456 -2.898 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.822 -4.185 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.806 -5.043 8.696 1.00 0.00 H new ATOM 0 HG LEU A 44 3.944 -2.859 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.603 -4.673 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.342 -5.048 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.295 -5.818 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.686 -3.304 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.354 -4.419 8.836 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.748 -2.685 8.906 1.00 0.00 H new ATOM 763 N ARG A 45 6.093 -4.085 11.331 1.00 0.00 N ATOM 764 CA ARG A 45 7.044 -4.586 12.281 1.00 0.00 C ATOM 765 C ARG A 45 7.552 -5.959 11.834 1.00 0.00 C ATOM 766 O ARG A 45 6.810 -6.945 11.867 1.00 0.00 O ATOM 767 CB ARG A 45 6.380 -4.671 13.653 1.00 0.00 C ATOM 768 CG ARG A 45 7.329 -4.572 14.834 1.00 0.00 C ATOM 769 CD ARG A 45 7.962 -3.188 14.888 1.00 0.00 C ATOM 770 NE ARG A 45 8.742 -2.982 16.105 1.00 0.00 N ATOM 771 CZ ARG A 45 9.357 -1.841 16.439 1.00 0.00 C ATOM 772 NH1 ARG A 45 9.314 -0.788 15.634 1.00 0.00 N ATOM 773 NH2 ARG A 45 10.004 -1.763 17.582 1.00 0.00 N ATOM 0 H ARG A 45 5.126 -4.109 11.655 1.00 0.00 H new ATOM 0 HA ARG A 45 7.899 -3.913 12.343 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.641 -3.873 13.732 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.839 -5.615 13.720 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.790 -4.769 15.760 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.106 -5.332 14.750 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.606 -3.051 14.019 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.180 -2.431 14.828 1.00 0.00 H new ATOM 0 HE ARG A 45 8.825 -3.768 16.750 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.808 -0.842 14.750 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.786 0.076 15.899 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.035 -2.569 18.207 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.475 -0.897 17.843 1.00 0.00 H new ATOM 787 N GLY A 46 8.787 -6.000 11.381 1.00 0.00 N ATOM 788 CA GLY A 46 9.392 -7.239 10.942 1.00 0.00 C ATOM 789 C GLY A 46 9.185 -7.500 9.467 1.00 0.00 C ATOM 790 O GLY A 46 9.072 -8.646 9.046 1.00 0.00 O ATOM 0 H GLY A 46 9.395 -5.184 11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.461 -7.212 11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.973 -8.066 11.515 1.00 0.00 H new ATOM 794 N MET A 47 9.132 -6.445 8.682 1.00 0.00 N ATOM 795 CA MET A 47 8.916 -6.561 7.244 1.00 0.00 C ATOM 796 C MET A 47 9.897 -5.676 6.494 1.00 0.00 C ATOM 797 O MET A 47 10.207 -4.569 6.960 1.00 0.00 O ATOM 798 CB MET A 47 7.487 -6.164 6.899 1.00 0.00 C ATOM 799 CG MET A 47 6.436 -7.179 7.327 1.00 0.00 C ATOM 800 SD MET A 47 6.371 -8.617 6.250 1.00 0.00 S ATOM 801 CE MET A 47 5.605 -7.904 4.788 1.00 0.00 C ATOM 0 H MET A 47 9.236 -5.486 9.014 1.00 0.00 H new ATOM 0 HA MET A 47 9.078 -7.597 6.946 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.264 -5.207 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.414 -6.014 5.822 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.646 -7.504 8.346 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.458 -6.698 7.341 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.813 -8.564 4.434 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.182 -6.931 5.037 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.355 -7.785 4.006 1.00 0.00 H new ATOM 811 N PRO A 48 10.408 -6.126 5.332 1.00 0.00 N ATOM 812 CA PRO A 48 11.380 -5.363 4.545 1.00 0.00 C ATOM 813 C PRO A 48 10.763 -4.125 3.880 1.00 0.00 C ATOM 814 O PRO A 48 10.144 -4.218 2.810 1.00 0.00 O ATOM 815 CB PRO A 48 11.875 -6.358 3.478 1.00 0.00 C ATOM 816 CG PRO A 48 11.331 -7.686 3.887 1.00 0.00 C ATOM 817 CD PRO A 48 10.089 -7.407 4.681 1.00 0.00 C ATOM 0 HA PRO A 48 12.179 -4.976 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.521 -6.078 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.964 -6.377 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.105 -8.299 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.058 -8.237 4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.208 -7.330 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.888 -8.193 5.409 1.00 0.00 H new ATOM 825 N ASP A 49 10.873 -2.994 4.581 1.00 0.00 N ATOM 826 CA ASP A 49 10.405 -1.669 4.129 1.00 0.00 C ATOM 827 C ASP A 49 8.989 -1.660 3.627 1.00 0.00 C ATOM 828 O ASP A 49 8.661 -1.006 2.634 1.00 0.00 O ATOM 829 CB ASP A 49 11.375 -1.003 3.147 1.00 0.00 C ATOM 830 CG ASP A 49 12.618 -0.521 3.852 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.593 0.570 4.450 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.636 -1.238 3.864 1.00 0.00 O ATOM 0 H ASP A 49 11.302 -2.967 5.506 1.00 0.00 H new ATOM 0 HA ASP A 49 10.395 -1.054 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.649 -1.711 2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.882 -0.163 2.658 1.00 0.00 H new ATOM 837 N CYS A 50 8.143 -2.363 4.331 1.00 0.00 N ATOM 838 CA CYS A 50 6.752 -2.379 4.020 1.00 0.00 C ATOM 839 C CYS A 50 6.058 -1.432 4.983 1.00 0.00 C ATOM 840 O CYS A 50 6.428 -1.364 6.160 1.00 0.00 O ATOM 841 CB CYS A 50 6.213 -3.794 4.170 1.00 0.00 C ATOM 842 SG CYS A 50 7.141 -5.033 3.232 1.00 0.00 S ATOM 0 H CYS A 50 8.404 -2.937 5.133 1.00 0.00 H new ATOM 0 HA CYS A 50 6.574 -2.060 2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.225 -4.067 5.225 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.172 -3.812 3.847 1.00 0.00 H new ATOM 0 HG CYS A 50 8.371 -4.638 3.090 1.00 0.00 H new ATOM 848 N TYR A 51 5.090 -0.714 4.501 1.00 0.00 N ATOM 849 CA TYR A 51 4.396 0.290 5.271 1.00 0.00 C ATOM 850 C TYR A 51 2.905 0.073 5.140 1.00 0.00 C ATOM 851 O TYR A 51 2.428 -0.389 4.092 1.00 0.00 O ATOM 852 CB TYR A 51 4.737 1.709 4.762 1.00 0.00 C ATOM 853 CG TYR A 51 6.198 2.137 4.847 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.185 1.530 4.080 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.579 3.169 5.674 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.502 1.937 4.150 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.891 3.579 5.744 1.00 0.00 C ATOM 858 CZ TYR A 51 8.847 2.961 4.984 1.00 0.00 C ATOM 859 OH TYR A 51 10.164 3.371 5.068 1.00 0.00 O ATOM 0 H TYR A 51 4.749 -0.806 3.544 1.00 0.00 H new ATOM 0 HA TYR A 51 4.708 0.204 6.312 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.422 1.781 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.140 2.425 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.916 0.723 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.835 3.666 6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.255 1.448 3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.167 4.391 6.401 1.00 0.00 H new ATOM 0 HH TYR A 51 10.611 3.214 4.210 1.00 0.00 H new ATOM 869 N LYS A 52 2.185 0.367 6.196 1.00 0.00 N ATOM 870 CA LYS A 52 0.749 0.240 6.217 1.00 0.00 C ATOM 871 C LYS A 52 0.085 1.604 6.382 1.00 0.00 C ATOM 872 O LYS A 52 0.568 2.471 7.132 1.00 0.00 O ATOM 873 CB LYS A 52 0.358 -0.638 7.403 1.00 0.00 C ATOM 874 CG LYS A 52 0.887 -0.074 8.709 1.00 0.00 C ATOM 875 CD LYS A 52 0.717 -0.987 9.866 1.00 0.00 C ATOM 876 CE LYS A 52 1.491 -0.447 11.042 1.00 0.00 C ATOM 877 NZ LYS A 52 0.803 0.676 11.724 1.00 0.00 N ATOM 0 H LYS A 52 2.584 0.704 7.072 1.00 0.00 H new ATOM 0 HA LYS A 52 0.419 -0.200 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.728 -0.720 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.748 -1.645 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.946 0.157 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.377 0.866 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.339 -1.077 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.070 -1.986 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.660 -1.251 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.471 -0.112 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.382 1.004 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.665 1.458 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.121 0.354 12.076 1.00 0.00 H new ATOM 891 N ILE A 53 -0.982 1.798 5.685 1.00 0.00 N ATOM 892 CA ILE A 53 -1.824 2.944 5.886 1.00 0.00 C ATOM 893 C ILE A 53 -3.202 2.422 6.182 1.00 0.00 C ATOM 894 O ILE A 53 -3.704 1.561 5.454 1.00 0.00 O ATOM 895 CB ILE A 53 -1.881 3.908 4.655 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.486 4.489 4.353 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.892 5.040 4.900 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.459 5.477 3.199 1.00 0.00 C ATOM 0 H ILE A 53 -1.303 1.165 4.952 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.413 3.537 6.703 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.209 3.334 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.109 4.983 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.196 3.669 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.917 5.700 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.883 4.615 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.594 5.610 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.559 5.838 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.803 4.984 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.113 6.319 3.425 1.00 0.00 H new ATOM 910 N LYS A 54 -3.781 2.866 7.258 1.00 0.00 N ATOM 911 CA LYS A 54 -5.102 2.447 7.596 1.00 0.00 C ATOM 912 C LYS A 54 -6.088 3.535 7.304 1.00 0.00 C ATOM 913 O LYS A 54 -5.766 4.724 7.404 1.00 0.00 O ATOM 914 CB LYS A 54 -5.206 1.878 9.035 1.00 0.00 C ATOM 915 CG LYS A 54 -4.596 2.724 10.142 1.00 0.00 C ATOM 916 CD LYS A 54 -5.366 3.990 10.433 1.00 0.00 C ATOM 917 CE LYS A 54 -4.622 4.802 11.439 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.316 6.055 11.785 1.00 0.00 N ATOM 0 H LYS A 54 -3.356 3.519 7.916 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.361 1.603 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.260 1.722 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.728 0.899 9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.537 2.128 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.575 2.986 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.504 4.564 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.360 3.746 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.478 4.210 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.631 5.036 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.756 6.580 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.431 6.636 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.251 5.835 12.183 1.00 0.00 H new ATOM 932 N LEU A 55 -7.241 3.158 6.893 1.00 0.00 N ATOM 933 CA LEU A 55 -8.238 4.110 6.584 1.00 0.00 C ATOM 934 C LEU A 55 -8.976 4.468 7.859 1.00 0.00 C ATOM 935 O LEU A 55 -9.159 3.624 8.736 1.00 0.00 O ATOM 936 CB LEU A 55 -9.201 3.548 5.540 1.00 0.00 C ATOM 937 CG LEU A 55 -10.044 4.574 4.803 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.155 5.450 3.983 1.00 0.00 C ATOM 939 CD2 LEU A 55 -11.070 3.909 3.926 1.00 0.00 C ATOM 0 H LEU A 55 -7.519 2.185 6.762 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.780 5.006 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.624 2.984 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.869 2.841 6.032 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.577 5.177 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.759 6.187 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.447 5.962 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.610 4.842 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.657 4.670 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.568 3.280 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.729 3.294 4.539 1.00 0.00 H new ATOM 951 N ARG A 56 -9.346 5.708 7.984 1.00 0.00 N ATOM 952 CA ARG A 56 -10.085 6.162 9.144 1.00 0.00 C ATOM 953 C ARG A 56 -11.574 6.014 8.878 1.00 0.00 C ATOM 954 O ARG A 56 -12.368 5.769 9.781 1.00 0.00 O ATOM 955 CB ARG A 56 -9.746 7.618 9.430 1.00 0.00 C ATOM 956 CG ARG A 56 -10.430 8.192 10.655 1.00 0.00 C ATOM 957 CD ARG A 56 -10.089 9.649 10.804 1.00 0.00 C ATOM 958 NE ARG A 56 -10.728 10.262 11.967 1.00 0.00 N ATOM 959 CZ ARG A 56 -10.598 11.545 12.294 1.00 0.00 C ATOM 960 NH1 ARG A 56 -9.906 12.357 11.505 1.00 0.00 N ATOM 961 NH2 ARG A 56 -11.183 12.022 13.386 1.00 0.00 N ATOM 0 H ARG A 56 -9.150 6.435 7.296 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.813 5.561 10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.667 7.709 9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.018 8.219 8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.510 8.071 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.118 7.645 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.008 9.758 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.393 10.183 9.904 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.308 9.671 12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.477 11.997 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.803 13.342 11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.736 11.404 13.980 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.080 13.007 13.631 1.00 0.00 H new ATOM 975 N SER A 57 -11.928 6.139 7.620 1.00 0.00 N ATOM 976 CA SER A 57 -13.294 6.062 7.167 1.00 0.00 C ATOM 977 C SER A 57 -13.877 4.642 7.392 1.00 0.00 C ATOM 978 O SER A 57 -15.073 4.479 7.639 1.00 0.00 O ATOM 979 CB SER A 57 -13.290 6.411 5.688 1.00 0.00 C ATOM 980 OG SER A 57 -12.356 7.471 5.446 1.00 0.00 O ATOM 0 H SER A 57 -11.258 6.301 6.868 1.00 0.00 H new ATOM 0 HA SER A 57 -13.922 6.753 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.022 5.535 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.289 6.714 5.373 1.00 0.00 H new ATOM 0 HG SER A 57 -12.827 8.241 5.065 1.00 0.00 H new ATOM 986 N SER A 58 -13.012 3.642 7.346 1.00 0.00 N ATOM 987 CA SER A 58 -13.392 2.261 7.494 1.00 0.00 C ATOM 988 C SER A 58 -12.107 1.485 7.780 1.00 0.00 C ATOM 989 O SER A 58 -11.037 1.967 7.440 1.00 0.00 O ATOM 990 CB SER A 58 -14.064 1.786 6.193 1.00 0.00 C ATOM 991 OG SER A 58 -14.601 0.476 6.297 1.00 0.00 O ATOM 0 H SER A 58 -12.011 3.777 7.202 1.00 0.00 H new ATOM 0 HA SER A 58 -14.104 2.109 8.305 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.861 2.480 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.335 1.812 5.383 1.00 0.00 H new ATOM 0 HG SER A 58 -14.055 -0.144 5.770 1.00 0.00 H new ATOM 997 N GLY A 59 -12.207 0.303 8.369 1.00 0.00 N ATOM 998 CA GLY A 59 -11.026 -0.450 8.800 1.00 0.00 C ATOM 999 C GLY A 59 -10.267 -1.160 7.685 1.00 0.00 C ATOM 1000 O GLY A 59 -9.942 -2.352 7.797 1.00 0.00 O ATOM 0 H GLY A 59 -13.094 -0.161 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.343 0.234 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.336 -1.192 9.536 1.00 0.00 H new ATOM 1004 N TYR A 60 -9.952 -0.446 6.649 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.190 -0.982 5.552 1.00 0.00 C ATOM 1006 C TYR A 60 -7.748 -0.579 5.698 1.00 0.00 C ATOM 1007 O TYR A 60 -7.450 0.510 6.183 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.740 -0.514 4.207 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.004 -1.219 3.759 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.232 -0.973 4.358 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -10.958 -2.131 2.718 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.376 -1.622 3.927 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.090 -2.778 2.280 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.296 -2.523 2.885 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.434 -3.166 2.441 1.00 0.00 O ATOM 0 H TYR A 60 -10.216 0.533 6.535 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.269 -2.069 5.577 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.938 0.556 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.972 -0.656 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.296 -0.265 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.012 -2.339 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.325 -1.424 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.031 -3.483 1.464 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.203 -3.766 1.701 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.870 -1.461 5.332 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.453 -1.228 5.395 1.00 0.00 C ATOM 1027 C ARG A 61 -4.859 -1.418 4.028 1.00 0.00 C ATOM 1028 O ARG A 61 -5.296 -2.287 3.260 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.735 -2.176 6.386 1.00 0.00 C ATOM 1030 CG ARG A 61 -4.883 -1.861 7.882 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.305 -2.010 8.405 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.360 -1.803 9.853 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.350 -2.196 10.665 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.490 -2.683 10.168 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.215 -2.041 11.969 1.00 0.00 N ATOM 0 H ARG A 61 -7.119 -2.383 4.973 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.310 -0.207 5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.103 -3.188 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.672 -2.178 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.227 -2.521 8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.544 -0.841 8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.956 -1.291 7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.683 -3.003 8.162 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.574 -1.316 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.615 -2.759 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.236 -2.979 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.364 -1.626 12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.962 -2.336 12.598 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.913 -0.613 3.715 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.211 -0.716 2.483 1.00 0.00 C ATOM 1051 C LEU A 62 -1.743 -0.932 2.822 1.00 0.00 C ATOM 1052 O LEU A 62 -1.170 -0.180 3.621 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.468 0.558 1.640 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.955 0.584 0.189 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.638 1.696 -0.577 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.466 0.816 0.142 1.00 0.00 C ATOM 0 H LEU A 62 -3.597 0.149 4.314 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.551 -1.555 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.544 0.730 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.022 1.402 2.166 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.180 -0.383 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.271 1.710 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.715 1.528 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.421 2.652 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.132 0.829 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.232 1.772 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.956 0.015 0.677 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.164 -1.972 2.261 1.00 0.00 N ATOM 1069 CA VAL A 63 0.204 -2.349 2.541 1.00 0.00 C ATOM 1070 C VAL A 63 1.045 -2.236 1.273 1.00 0.00 C ATOM 1071 O VAL A 63 0.734 -2.854 0.234 1.00 0.00 O ATOM 1072 CB VAL A 63 0.290 -3.802 3.097 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.731 -4.194 3.387 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.556 -3.956 4.354 1.00 0.00 C ATOM 0 H VAL A 63 -1.633 -2.584 1.593 1.00 0.00 H new ATOM 0 HA VAL A 63 0.590 -1.669 3.301 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.102 -4.470 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.760 -5.213 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.315 -4.138 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.152 -3.513 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.478 -4.979 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.199 -3.267 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.597 -3.732 4.122 1.00 0.00 H new ATOM 1084 N TYR A 64 2.089 -1.462 1.352 1.00 0.00 N ATOM 1085 CA TYR A 64 2.970 -1.236 0.233 1.00 0.00 C ATOM 1086 C TYR A 64 4.410 -1.317 0.679 1.00 0.00 C ATOM 1087 O TYR A 64 4.686 -1.193 1.858 1.00 0.00 O ATOM 1088 CB TYR A 64 2.681 0.129 -0.436 1.00 0.00 C ATOM 1089 CG TYR A 64 2.778 1.354 0.462 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.994 1.815 0.956 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.649 2.066 0.778 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.059 2.940 1.739 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.703 3.186 1.557 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.912 3.622 2.039 1.00 0.00 C ATOM 1095 OH TYR A 64 2.969 4.738 2.831 1.00 0.00 O ATOM 0 H TYR A 64 2.359 -0.964 2.200 1.00 0.00 H new ATOM 0 HA TYR A 64 2.789 -2.015 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.376 0.257 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.678 0.096 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.901 1.279 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.693 1.732 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.010 3.285 2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.798 3.727 1.793 1.00 0.00 H new ATOM 0 HH TYR A 64 3.897 5.045 2.898 1.00 0.00 H new ATOM 1105 N GLN A 65 5.303 -1.554 -0.232 1.00 0.00 N ATOM 1106 CA GLN A 65 6.703 -1.543 0.095 1.00 0.00 C ATOM 1107 C GLN A 65 7.355 -0.356 -0.591 1.00 0.00 C ATOM 1108 O GLN A 65 7.011 -0.020 -1.737 1.00 0.00 O ATOM 1109 CB GLN A 65 7.400 -2.862 -0.284 1.00 0.00 C ATOM 1110 CG GLN A 65 7.493 -3.138 -1.777 1.00 0.00 C ATOM 1111 CD GLN A 65 8.173 -4.451 -2.076 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.531 -5.481 -2.214 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.483 -4.438 -2.120 1.00 0.00 N ATOM 0 H GLN A 65 5.092 -1.758 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 65 6.810 -1.446 1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.408 -2.855 0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.866 -3.686 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.491 -3.145 -2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.041 -2.329 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.989 -3.560 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.997 -5.306 -2.273 1.00 0.00 H new ATOM 1122 N VAL A 66 8.241 0.300 0.098 1.00 0.00 N ATOM 1123 CA VAL A 66 8.911 1.441 -0.467 1.00 0.00 C ATOM 1124 C VAL A 66 10.260 1.034 -1.007 1.00 0.00 C ATOM 1125 O VAL A 66 11.167 0.640 -0.260 1.00 0.00 O ATOM 1126 CB VAL A 66 9.057 2.608 0.556 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.884 3.754 -0.020 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.686 3.124 0.959 1.00 0.00 C ATOM 0 H VAL A 66 8.519 0.068 1.052 1.00 0.00 H new ATOM 0 HA VAL A 66 8.293 1.813 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 66 9.575 2.218 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.966 4.551 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.880 3.392 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.398 4.139 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.800 3.939 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.160 3.487 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.114 2.317 1.417 1.00 0.00 H new ATOM 1138 N ILE A 67 10.382 1.077 -2.298 1.00 0.00 N ATOM 1139 CA ILE A 67 11.618 0.781 -2.923 1.00 0.00 C ATOM 1140 C ILE A 67 12.272 2.107 -3.266 1.00 0.00 C ATOM 1141 O ILE A 67 11.990 2.705 -4.304 1.00 0.00 O ATOM 1142 CB ILE A 67 11.416 -0.058 -4.211 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.506 -1.263 -3.922 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.767 -0.539 -4.732 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.146 -2.075 -5.148 1.00 0.00 C ATOM 0 H ILE A 67 9.626 1.318 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 67 12.242 0.191 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 67 10.942 0.566 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.001 -1.914 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.589 -0.907 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.619 -1.128 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.397 0.321 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.251 -1.154 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.503 -2.906 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.621 -1.441 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.055 -2.463 -5.607 1.00 0.00 H new ATOM 1157 N ASP A 68 13.128 2.566 -2.395 1.00 0.00 N ATOM 1158 CA ASP A 68 13.799 3.854 -2.564 1.00 0.00 C ATOM 1159 C ASP A 68 14.829 3.752 -3.659 1.00 0.00 C ATOM 1160 O ASP A 68 15.091 4.716 -4.393 1.00 0.00 O ATOM 1161 CB ASP A 68 14.454 4.303 -1.260 1.00 0.00 C ATOM 1162 CG ASP A 68 15.198 5.607 -1.411 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.577 6.685 -1.299 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.420 5.588 -1.647 1.00 0.00 O ATOM 0 H ASP A 68 13.389 2.069 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 68 13.054 4.600 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.690 4.411 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.144 3.531 -0.918 1.00 0.00 H new ATOM 1169 N GLU A 69 15.356 2.552 -3.790 1.00 0.00 N ATOM 1170 CA GLU A 69 16.343 2.193 -4.788 1.00 0.00 C ATOM 1171 C GLU A 69 15.806 2.498 -6.187 1.00 0.00 C ATOM 1172 O GLU A 69 16.531 2.984 -7.060 1.00 0.00 O ATOM 1173 CB GLU A 69 16.671 0.682 -4.717 1.00 0.00 C ATOM 1174 CG GLU A 69 16.992 0.114 -3.324 1.00 0.00 C ATOM 1175 CD GLU A 69 15.754 -0.203 -2.488 1.00 0.00 C ATOM 1176 OE1 GLU A 69 15.177 0.708 -1.872 1.00 0.00 O ATOM 1177 OE2 GLU A 69 15.336 -1.365 -2.439 1.00 0.00 O ATOM 0 H GLU A 69 15.100 1.773 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 69 17.244 2.774 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.824 0.130 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.522 0.487 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.583 -0.794 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.611 0.830 -2.783 1.00 0.00 H new ATOM 1184 N LYS A 70 14.530 2.209 -6.381 1.00 0.00 N ATOM 1185 CA LYS A 70 13.865 2.420 -7.657 1.00 0.00 C ATOM 1186 C LYS A 70 12.897 3.601 -7.568 1.00 0.00 C ATOM 1187 O LYS A 70 12.151 3.861 -8.507 1.00 0.00 O ATOM 1188 CB LYS A 70 13.107 1.160 -8.080 1.00 0.00 C ATOM 1189 CG LYS A 70 13.963 -0.090 -8.218 1.00 0.00 C ATOM 1190 CD LYS A 70 13.106 -1.279 -8.616 1.00 0.00 C ATOM 1191 CE LYS A 70 13.908 -2.566 -8.675 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.079 -3.713 -9.103 1.00 0.00 N ATOM 0 H LYS A 70 13.925 1.821 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 70 14.626 2.643 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.321 0.965 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.616 1.353 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.739 0.074 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.469 -0.298 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.291 -1.393 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.653 -1.089 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.742 -2.443 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.335 -2.773 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.664 -4.573 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.298 -3.847 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.692 -3.527 -10.050 1.00 0.00 H new ATOM 1206 N VAL A 71 12.899 4.268 -6.402 1.00 0.00 N ATOM 1207 CA VAL A 71 12.064 5.452 -6.080 1.00 0.00 C ATOM 1208 C VAL A 71 10.563 5.198 -6.375 1.00 0.00 C ATOM 1209 O VAL A 71 9.815 6.069 -6.825 1.00 0.00 O ATOM 1210 CB VAL A 71 12.621 6.810 -6.705 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.509 6.899 -8.220 1.00 0.00 C ATOM 1212 CG2 VAL A 71 12.019 8.041 -6.034 1.00 0.00 C ATOM 0 H VAL A 71 13.501 3.993 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 71 12.140 5.601 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 71 13.690 6.792 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.911 7.854 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.074 6.085 -8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.462 6.822 -8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.428 8.942 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.936 8.030 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.263 8.032 -4.972 1.00 0.00 H new ATOM 1222 N VAL A 72 10.121 4.011 -6.035 1.00 0.00 N ATOM 1223 CA VAL A 72 8.760 3.613 -6.276 1.00 0.00 C ATOM 1224 C VAL A 72 8.157 2.966 -5.031 1.00 0.00 C ATOM 1225 O VAL A 72 8.825 2.228 -4.296 1.00 0.00 O ATOM 1226 CB VAL A 72 8.634 2.660 -7.525 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.457 1.396 -7.356 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.176 2.310 -7.832 1.00 0.00 C ATOM 0 H VAL A 72 10.695 3.298 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 72 8.194 4.516 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 72 9.034 3.212 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.343 0.767 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.507 1.660 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.113 0.853 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.135 1.652 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.734 1.806 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.619 3.223 -8.043 1.00 0.00 H new ATOM 1238 N VAL A 73 6.940 3.304 -4.780 1.00 0.00 N ATOM 1239 CA VAL A 73 6.159 2.757 -3.728 1.00 0.00 C ATOM 1240 C VAL A 73 5.242 1.720 -4.369 1.00 0.00 C ATOM 1241 O VAL A 73 4.396 2.055 -5.210 1.00 0.00 O ATOM 1242 CB VAL A 73 5.326 3.875 -3.052 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.456 3.322 -1.960 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.235 4.963 -2.501 1.00 0.00 C ATOM 0 H VAL A 73 6.440 4.003 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 73 6.784 2.304 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 73 4.679 4.311 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.884 4.131 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.771 2.585 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.080 2.848 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.630 5.738 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.912 4.533 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.815 5.399 -3.314 1.00 0.00 H new ATOM 1254 N PHE A 74 5.431 0.488 -4.009 1.00 0.00 N ATOM 1255 CA PHE A 74 4.732 -0.604 -4.643 1.00 0.00 C ATOM 1256 C PHE A 74 3.696 -1.197 -3.701 1.00 0.00 C ATOM 1257 O PHE A 74 4.047 -1.777 -2.672 1.00 0.00 O ATOM 1258 CB PHE A 74 5.759 -1.664 -5.078 1.00 0.00 C ATOM 1259 CG PHE A 74 5.192 -2.848 -5.811 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.804 -2.737 -7.134 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.064 -4.077 -5.179 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.298 -3.824 -7.815 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.560 -5.167 -5.854 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.177 -5.040 -7.174 1.00 0.00 C ATOM 0 H PHE A 74 6.072 0.204 -3.269 1.00 0.00 H new ATOM 0 HA PHE A 74 4.200 -0.239 -5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.502 -1.185 -5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.283 -2.023 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.899 -1.787 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.363 -4.180 -4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.997 -3.724 -8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.465 -6.118 -5.352 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.782 -5.893 -7.706 1.00 0.00 H new ATOM 1274 N VAL A 75 2.434 -1.032 -4.043 1.00 0.00 N ATOM 1275 CA VAL A 75 1.341 -1.553 -3.247 1.00 0.00 C ATOM 1276 C VAL A 75 1.240 -3.048 -3.458 1.00 0.00 C ATOM 1277 O VAL A 75 1.052 -3.513 -4.589 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.010 -0.873 -3.605 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.156 -1.419 -2.750 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.098 0.640 -3.453 1.00 0.00 C ATOM 0 H VAL A 75 2.137 -0.533 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 75 1.548 -1.335 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.234 -1.105 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.085 -0.922 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.255 -2.492 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.945 -1.233 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.857 1.100 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.355 0.885 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.873 1.018 -4.120 1.00 0.00 H new ATOM 1290 N ILE A 76 1.355 -3.792 -2.385 1.00 0.00 N ATOM 1291 CA ILE A 76 1.358 -5.235 -2.458 1.00 0.00 C ATOM 1292 C ILE A 76 -0.048 -5.763 -2.204 1.00 0.00 C ATOM 1293 O ILE A 76 -0.527 -6.675 -2.889 1.00 0.00 O ATOM 1294 CB ILE A 76 2.303 -5.842 -1.378 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.698 -5.202 -1.438 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.417 -7.357 -1.558 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.622 -5.649 -0.319 1.00 0.00 C ATOM 0 H ILE A 76 1.449 -3.418 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 76 1.705 -5.521 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 76 1.870 -5.630 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.158 -5.444 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.593 -4.118 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.081 -7.765 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.430 -7.810 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.821 -7.577 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.588 -5.156 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.184 -5.383 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.758 -6.729 -0.369 1.00 0.00 H new ATOM 1309 N SER A 77 -0.711 -5.195 -1.230 1.00 0.00 N ATOM 1310 CA SER A 77 -2.024 -5.646 -0.845 1.00 0.00 C ATOM 1311 C SER A 77 -2.840 -4.490 -0.307 1.00 0.00 C ATOM 1312 O SER A 77 -2.289 -3.527 0.239 1.00 0.00 O ATOM 1313 CB SER A 77 -1.905 -6.758 0.208 1.00 0.00 C ATOM 1314 OG SER A 77 -1.157 -7.844 -0.306 1.00 0.00 O ATOM 0 H SER A 77 -0.358 -4.410 -0.683 1.00 0.00 H new ATOM 0 HA SER A 77 -2.534 -6.046 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.424 -6.369 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.898 -7.098 0.501 1.00 0.00 H new ATOM 0 HG SER A 77 -0.563 -8.192 0.392 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.124 -4.571 -0.491 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.037 -3.566 -0.033 1.00 0.00 C ATOM 1322 C VAL A 78 -6.379 -4.227 0.308 1.00 0.00 C ATOM 1323 O VAL A 78 -6.874 -5.080 -0.453 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.198 -2.419 -1.091 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.722 -2.926 -2.432 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.063 -1.296 -0.561 1.00 0.00 C ATOM 0 H VAL A 78 -4.574 -5.350 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.640 -3.098 0.868 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.198 -2.024 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.814 -2.091 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.028 -3.661 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.699 -3.389 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.154 -0.518 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.053 -1.683 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.606 -0.877 0.336 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.918 -3.913 1.460 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.179 -4.484 1.858 1.00 0.00 C ATOM 1338 C GLY A 79 -8.315 -4.524 3.355 1.00 0.00 C ATOM 1339 O GLY A 79 -7.676 -3.749 4.055 1.00 0.00 O ATOM 0 H GLY A 79 -6.506 -3.269 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.995 -3.900 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.266 -5.493 1.456 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.128 -5.412 3.854 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.310 -5.543 5.280 1.00 0.00 C ATOM 1345 C LYS A 80 -8.184 -6.363 5.897 1.00 0.00 C ATOM 1346 O LYS A 80 -7.562 -7.212 5.233 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.684 -6.131 5.628 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.852 -5.227 5.242 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.198 -5.792 5.691 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.545 -7.104 4.993 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.840 -7.646 5.461 1.00 0.00 N ATOM 0 H LYS A 80 -9.680 -6.062 3.294 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.274 -4.542 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.797 -7.091 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.725 -6.326 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.708 -4.242 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.861 -5.091 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.180 -5.952 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.980 -5.060 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.585 -6.944 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.757 -7.834 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.043 -8.537 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.793 -7.822 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.596 -6.960 5.262 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.919 -6.105 7.152 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.839 -6.748 7.858 1.00 0.00 C ATOM 1367 C ALA A 81 -7.326 -7.258 9.192 1.00 0.00 C ATOM 1368 O ALA A 81 -6.542 -7.346 10.146 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.716 -5.759 8.067 1.00 0.00 C ATOM 0 H ALA A 81 -8.448 -5.440 7.716 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.476 -7.591 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.899 -6.244 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.358 -5.405 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.080 -4.914 8.651 1.00 0.00 H new ATOM 1375 N GLU A 82 -8.595 -7.670 9.210 1.00 0.00 N ATOM 1376 CA GLU A 82 -9.305 -8.145 10.403 1.00 0.00 C ATOM 1377 C GLU A 82 -8.442 -9.136 11.173 1.00 0.00 C ATOM 1378 O GLU A 82 -8.136 -8.936 12.341 1.00 0.00 O ATOM 1379 CB GLU A 82 -10.605 -8.821 9.967 1.00 0.00 C ATOM 1380 CG GLU A 82 -11.536 -9.182 11.094 1.00 0.00 C ATOM 1381 CD GLU A 82 -12.044 -7.973 11.806 1.00 0.00 C ATOM 1382 OE1 GLU A 82 -12.875 -7.249 11.233 1.00 0.00 O ATOM 1383 OE2 GLU A 82 -11.612 -7.707 12.933 1.00 0.00 O ATOM 0 H GLU A 82 -9.175 -7.683 8.371 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.525 -7.299 11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.130 -8.159 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.359 -9.727 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.378 -9.752 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.016 -9.828 11.801 1.00 0.00 H new ATOM 1390 N ALA A 83 -8.020 -10.167 10.488 1.00 0.00 N ATOM 1391 CA ALA A 83 -7.146 -11.155 11.053 1.00 0.00 C ATOM 1392 C ALA A 83 -5.860 -11.233 10.234 1.00 0.00 C ATOM 1393 O ALA A 83 -5.478 -12.292 9.747 1.00 0.00 O ATOM 1394 CB ALA A 83 -7.840 -12.510 11.136 1.00 0.00 C ATOM 0 H ALA A 83 -8.276 -10.343 9.517 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.888 -10.863 12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.158 -13.242 11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.727 -12.427 11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.132 -12.831 10.136 1.00 0.00 H new ATOM 1400 N SER A 84 -5.213 -10.068 10.060 1.00 0.00 N ATOM 1401 CA SER A 84 -3.918 -9.915 9.337 1.00 0.00 C ATOM 1402 C SER A 84 -3.961 -10.453 7.883 1.00 0.00 C ATOM 1403 O SER A 84 -2.930 -10.834 7.320 1.00 0.00 O ATOM 1404 CB SER A 84 -2.742 -10.541 10.151 1.00 0.00 C ATOM 1405 OG SER A 84 -2.959 -11.913 10.464 1.00 0.00 O ATOM 0 H SER A 84 -5.573 -9.185 10.421 1.00 0.00 H new ATOM 0 HA SER A 84 -3.738 -8.843 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.819 -10.445 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.606 -9.979 11.075 1.00 0.00 H new ATOM 0 HG SER A 84 -3.681 -12.266 9.903 1.00 0.00 H new ATOM 1411 N GLU A 85 -5.131 -10.351 7.256 1.00 0.00 N ATOM 1412 CA GLU A 85 -5.369 -10.896 5.914 1.00 0.00 C ATOM 1413 C GLU A 85 -4.380 -10.307 4.883 1.00 0.00 C ATOM 1414 O GLU A 85 -3.657 -11.043 4.223 1.00 0.00 O ATOM 1415 CB GLU A 85 -6.800 -10.549 5.507 1.00 0.00 C ATOM 1416 CG GLU A 85 -7.264 -11.135 4.191 1.00 0.00 C ATOM 1417 CD GLU A 85 -7.434 -12.628 4.217 1.00 0.00 C ATOM 1418 OE1 GLU A 85 -8.521 -13.104 4.594 1.00 0.00 O ATOM 1419 OE2 GLU A 85 -6.516 -13.351 3.816 1.00 0.00 O ATOM 0 H GLU A 85 -5.944 -9.888 7.662 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.221 -11.976 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.475 -10.887 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.891 -9.464 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.213 -10.676 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.545 -10.874 3.414 1.00 0.00 H new ATOM 1426 N VAL A 86 -4.283 -8.982 4.827 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.389 -8.329 3.858 1.00 0.00 C ATOM 1428 C VAL A 86 -1.915 -8.425 4.263 1.00 0.00 C ATOM 1429 O VAL A 86 -1.027 -8.149 3.470 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.775 -6.849 3.580 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -5.142 -6.771 2.927 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.758 -6.024 4.859 1.00 0.00 C ATOM 0 H VAL A 86 -4.801 -8.342 5.429 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.522 -8.885 2.930 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.032 -6.434 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.397 -5.728 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.126 -7.316 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.887 -7.213 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.032 -4.994 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.471 -6.441 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.758 -6.046 5.293 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.667 -8.849 5.483 1.00 0.00 N ATOM 1443 CA TYR A 87 -0.307 -8.983 5.975 1.00 0.00 C ATOM 1444 C TYR A 87 0.267 -10.285 5.491 1.00 0.00 C ATOM 1445 O TYR A 87 1.389 -10.325 5.003 1.00 0.00 O ATOM 1446 CB TYR A 87 -0.243 -8.912 7.506 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.597 -7.561 8.109 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -1.863 -7.012 7.966 1.00 0.00 C ATOM 1449 CD2 TYR A 87 0.342 -6.845 8.839 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -2.180 -5.794 8.525 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.026 -5.622 9.402 1.00 0.00 C ATOM 1452 CZ TYR A 87 -1.237 -5.104 9.238 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.568 -3.892 9.800 1.00 0.00 O ATOM 0 H TYR A 87 -2.388 -9.108 6.156 1.00 0.00 H new ATOM 0 HA TYR A 87 0.280 -8.150 5.589 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.918 -9.663 7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.764 -9.181 7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.614 -7.550 7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.335 -7.249 8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.171 -5.384 8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.767 -5.077 9.967 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.791 -3.528 10.274 1.00 0.00 H new ATOM 1463 N SER A 88 -0.533 -11.346 5.582 1.00 0.00 N ATOM 1464 CA SER A 88 -0.111 -12.656 5.136 1.00 0.00 C ATOM 1465 C SER A 88 0.068 -12.644 3.612 1.00 0.00 C ATOM 1466 O SER A 88 0.983 -13.285 3.080 1.00 0.00 O ATOM 1467 CB SER A 88 -1.118 -13.729 5.574 1.00 0.00 C ATOM 1468 OG SER A 88 -0.626 -15.049 5.332 1.00 0.00 O ATOM 0 H SER A 88 -1.479 -11.315 5.963 1.00 0.00 H new ATOM 0 HA SER A 88 0.846 -12.903 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.336 -13.611 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.057 -13.587 5.038 1.00 0.00 H new ATOM 0 HG SER A 88 -1.292 -15.705 5.624 1.00 0.00 H new ATOM 1474 N GLU A 89 -0.786 -11.869 2.930 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.695 -11.690 1.480 1.00 0.00 C ATOM 1476 C GLU A 89 0.649 -11.068 1.127 1.00 0.00 C ATOM 1477 O GLU A 89 1.365 -11.544 0.241 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.798 -10.747 0.991 1.00 0.00 C ATOM 1479 CG GLU A 89 -3.219 -11.246 1.158 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.521 -12.437 0.304 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -3.653 -12.277 -0.924 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -3.686 -13.552 0.841 1.00 0.00 O ATOM 0 H GLU A 89 -1.551 -11.354 3.365 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.803 -12.665 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.701 -9.800 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.629 -10.538 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.388 -11.503 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.913 -10.442 0.911 1.00 0.00 H new ATOM 1489 N ALA A 90 0.989 -10.018 1.850 1.00 0.00 N ATOM 1490 CA ALA A 90 2.210 -9.288 1.622 1.00 0.00 C ATOM 1491 C ALA A 90 3.446 -10.115 1.957 1.00 0.00 C ATOM 1492 O ALA A 90 4.295 -10.335 1.092 1.00 0.00 O ATOM 1493 CB ALA A 90 2.206 -7.982 2.403 1.00 0.00 C ATOM 0 H ALA A 90 0.421 -9.650 2.613 1.00 0.00 H new ATOM 0 HA ALA A 90 2.257 -9.060 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.136 -7.445 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.363 -7.369 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.116 -8.195 3.468 1.00 0.00 H new ATOM 1499 N VAL A 91 3.519 -10.619 3.190 1.00 0.00 N ATOM 1500 CA VAL A 91 4.707 -11.331 3.668 1.00 0.00 C ATOM 1501 C VAL A 91 5.016 -12.573 2.832 1.00 0.00 C ATOM 1502 O VAL A 91 6.171 -12.830 2.510 1.00 0.00 O ATOM 1503 CB VAL A 91 4.648 -11.673 5.204 1.00 0.00 C ATOM 1504 CG1 VAL A 91 3.536 -12.649 5.539 1.00 0.00 C ATOM 1505 CG2 VAL A 91 5.989 -12.187 5.716 1.00 0.00 C ATOM 0 H VAL A 91 2.769 -10.548 3.877 1.00 0.00 H new ATOM 0 HA VAL A 91 5.535 -10.634 3.537 1.00 0.00 H new ATOM 0 HB VAL A 91 4.423 -10.738 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.540 -12.851 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.576 -12.219 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.692 -13.580 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.910 -12.413 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.264 -13.091 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.753 -11.425 5.562 1.00 0.00 H new ATOM 1515 N LYS A 92 3.994 -13.297 2.413 1.00 0.00 N ATOM 1516 CA LYS A 92 4.221 -14.496 1.639 1.00 0.00 C ATOM 1517 C LYS A 92 4.566 -14.219 0.189 1.00 0.00 C ATOM 1518 O LYS A 92 5.033 -15.103 -0.520 1.00 0.00 O ATOM 1519 CB LYS A 92 3.105 -15.533 1.801 1.00 0.00 C ATOM 1520 CG LYS A 92 3.041 -16.146 3.203 1.00 0.00 C ATOM 1521 CD LYS A 92 4.406 -16.708 3.647 1.00 0.00 C ATOM 1522 CE LYS A 92 4.925 -17.800 2.715 1.00 0.00 C ATOM 1523 NZ LYS A 92 6.330 -18.150 3.010 1.00 0.00 N ATOM 0 H LYS A 92 3.014 -13.078 2.594 1.00 0.00 H new ATOM 0 HA LYS A 92 5.114 -14.951 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.148 -15.064 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.251 -16.329 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.711 -15.390 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.298 -16.943 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.132 -15.896 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.318 -17.109 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.301 -18.688 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.843 -17.465 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.455 -19.180 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.957 -17.673 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.569 -17.844 3.975 1.00 0.00 H new ATOM 1537 N ARG A 93 4.369 -13.000 -0.249 1.00 0.00 N ATOM 1538 CA ARG A 93 4.766 -12.638 -1.584 1.00 0.00 C ATOM 1539 C ARG A 93 6.180 -12.046 -1.519 1.00 0.00 C ATOM 1540 O ARG A 93 6.876 -11.923 -2.525 1.00 0.00 O ATOM 1541 CB ARG A 93 3.766 -11.660 -2.196 1.00 0.00 C ATOM 1542 CG ARG A 93 3.900 -11.490 -3.702 1.00 0.00 C ATOM 1543 CD ARG A 93 2.802 -10.595 -4.240 1.00 0.00 C ATOM 1544 NE ARG A 93 1.463 -11.106 -3.899 1.00 0.00 N ATOM 1545 CZ ARG A 93 0.395 -10.338 -3.681 1.00 0.00 C ATOM 1546 NH1 ARG A 93 0.454 -9.039 -3.948 1.00 0.00 N ATOM 1547 NH2 ARG A 93 -0.737 -10.878 -3.249 1.00 0.00 N ATOM 0 H ARG A 93 3.941 -12.250 0.294 1.00 0.00 H new ATOM 0 HA ARG A 93 4.776 -13.516 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.756 -12.001 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.889 -10.687 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.874 -11.062 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.853 -12.464 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.921 -9.590 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.896 -10.516 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 93 1.345 -12.116 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.313 -8.633 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.360 -8.447 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.792 -11.883 -3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.553 -10.288 -3.083 1.00 0.00 H new ATOM 1561 N ILE A 94 6.584 -11.688 -0.314 1.00 0.00 N ATOM 1562 CA ILE A 94 7.923 -11.211 -0.046 1.00 0.00 C ATOM 1563 C ILE A 94 8.857 -12.414 0.124 1.00 0.00 C ATOM 1564 O ILE A 94 9.920 -12.489 -0.504 1.00 0.00 O ATOM 1565 CB ILE A 94 7.969 -10.310 1.234 1.00 0.00 C ATOM 1566 CG1 ILE A 94 7.151 -9.017 1.041 1.00 0.00 C ATOM 1567 CG2 ILE A 94 9.398 -9.983 1.651 1.00 0.00 C ATOM 1568 CD1 ILE A 94 7.630 -8.131 -0.096 1.00 0.00 C ATOM 0 H ILE A 94 5.985 -11.721 0.511 1.00 0.00 H new ATOM 0 HA ILE A 94 8.248 -10.600 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 94 7.514 -10.886 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.110 -9.285 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.178 -8.444 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.382 -9.356 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.935 -10.907 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.900 -9.451 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.998 -7.245 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.661 -7.828 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.576 -8.682 -1.035 1.00 0.00 H new ATOM 1580 N LEU A 95 8.448 -13.355 0.951 1.00 0.00 N ATOM 1581 CA LEU A 95 9.223 -14.542 1.191 1.00 0.00 C ATOM 1582 C LEU A 95 8.490 -15.815 0.745 1.00 0.00 C ATOM 1583 O LEU A 95 7.723 -16.410 1.514 1.00 0.00 O ATOM 1584 CB LEU A 95 9.817 -14.571 2.640 1.00 0.00 C ATOM 1585 CG LEU A 95 8.910 -14.146 3.829 1.00 0.00 C ATOM 1586 CD1 LEU A 95 7.918 -15.217 4.224 1.00 0.00 C ATOM 1587 CD2 LEU A 95 9.746 -13.733 5.022 1.00 0.00 C ATOM 1588 OXT LEU A 95 8.649 -16.195 -0.440 1.00 0.00 O ATOM 0 H LEU A 95 7.571 -13.313 1.471 1.00 0.00 H new ATOM 0 HA LEU A 95 10.101 -14.511 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.163 -15.586 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.697 -13.927 2.649 1.00 0.00 H new ATOM 0 HG LEU A 95 8.330 -13.289 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.313 -14.863 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.270 -15.443 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.454 -16.118 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.090 -13.440 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 95 10.369 -14.570 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 95 10.382 -12.891 4.747 1.00 0.00 H new TER 1600 LEU A 95