USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 -162:sc= -0.0582 (180deg=-0.449) USER MOD Set 1.2: A 50 CYS SG : rot 28:sc= 0.323 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -150:sc= 1.17 (180deg=-0.261) USER MOD Set 2.2: A 51 TYR OH : rot -20:sc= 0.362 USER MOD Single : A 3 TYR OH : rot -160:sc= 1.29 USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= 1.3 (180deg=0.507) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0.555 (180deg=0.426) USER MOD Single : A 20 SER OG : rot -69:sc= 0.812 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.91! C(o=-1.9!,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 0.864 (180deg=-0.274) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0284) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.487 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.516 USER MOD Single : A 65 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.039) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0361) USER MOD Single : A 77 SER OG : rot 140:sc= -0.106 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.466 13.101 -4.228 1.00 0.00 N ATOM 19 CA ALA A 2 8.300 12.265 -4.342 1.00 0.00 C ATOM 20 C ALA A 2 8.678 10.977 -5.035 1.00 0.00 C ATOM 21 O ALA A 2 9.739 10.887 -5.655 1.00 0.00 O ATOM 22 CB ALA A 2 7.195 12.981 -5.112 1.00 0.00 C ATOM 0 HA ALA A 2 7.921 12.042 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.323 12.331 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.921 13.897 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.550 13.228 -6.113 1.00 0.00 H new ATOM 28 N TYR A 3 7.841 9.995 -4.924 1.00 0.00 N ATOM 29 CA TYR A 3 8.077 8.704 -5.532 1.00 0.00 C ATOM 30 C TYR A 3 6.999 8.425 -6.558 1.00 0.00 C ATOM 31 O TYR A 3 6.035 9.205 -6.695 1.00 0.00 O ATOM 32 CB TYR A 3 8.037 7.587 -4.471 1.00 0.00 C ATOM 33 CG TYR A 3 9.170 7.559 -3.461 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.398 8.614 -2.586 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.999 6.451 -3.374 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.418 8.563 -1.662 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.013 6.390 -2.448 1.00 0.00 C ATOM 38 CZ TYR A 3 11.218 7.445 -1.595 1.00 0.00 C ATOM 39 OH TYR A 3 12.221 7.384 -0.662 1.00 0.00 O ATOM 0 H TYR A 3 6.964 10.057 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 3 9.060 8.722 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.098 7.671 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.020 6.628 -4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.765 9.488 -2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.845 5.620 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.589 9.395 -0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.645 5.516 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 3 12.879 6.711 -0.933 1.00 0.00 H new ATOM 49 N PHE A 4 7.168 7.356 -7.287 1.00 0.00 N ATOM 50 CA PHE A 4 6.152 6.876 -8.193 1.00 0.00 C ATOM 51 C PHE A 4 5.248 5.944 -7.407 1.00 0.00 C ATOM 52 O PHE A 4 5.638 5.471 -6.347 1.00 0.00 O ATOM 53 CB PHE A 4 6.785 6.119 -9.373 1.00 0.00 C ATOM 54 CG PHE A 4 7.675 6.959 -10.247 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.133 7.800 -11.203 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.053 6.903 -10.115 1.00 0.00 C ATOM 57 CE1 PHE A 4 7.948 8.568 -12.010 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.873 7.667 -10.918 1.00 0.00 C ATOM 59 CZ PHE A 4 9.320 8.500 -11.867 1.00 0.00 C ATOM 0 H PHE A 4 8.016 6.789 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 4 5.589 7.714 -8.603 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.365 5.283 -8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.989 5.696 -9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.061 7.856 -11.319 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.491 6.252 -9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.513 9.221 -12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.946 7.613 -10.804 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.959 9.099 -12.498 1.00 0.00 H new ATOM 69 N LEU A 5 4.066 5.697 -7.886 1.00 0.00 N ATOM 70 CA LEU A 5 3.146 4.813 -7.193 1.00 0.00 C ATOM 71 C LEU A 5 2.690 3.735 -8.175 1.00 0.00 C ATOM 72 O LEU A 5 2.270 4.056 -9.301 1.00 0.00 O ATOM 73 CB LEU A 5 1.929 5.638 -6.676 1.00 0.00 C ATOM 74 CG LEU A 5 1.070 5.058 -5.511 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.431 3.720 -5.837 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.878 4.964 -4.237 1.00 0.00 C ATOM 0 H LEU A 5 3.705 6.091 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 5 3.630 4.343 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.301 6.612 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.264 5.811 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 5 0.251 5.762 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.151 3.377 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.224 3.831 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.209 2.991 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.255 4.557 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.736 4.311 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.227 5.957 -3.953 1.00 0.00 H new ATOM 88 N ASP A 6 2.786 2.479 -7.793 1.00 0.00 N ATOM 89 CA ASP A 6 2.292 1.403 -8.646 1.00 0.00 C ATOM 90 C ASP A 6 1.664 0.323 -7.761 1.00 0.00 C ATOM 91 O ASP A 6 1.830 0.346 -6.536 1.00 0.00 O ATOM 92 CB ASP A 6 3.411 0.812 -9.532 1.00 0.00 C ATOM 93 CG ASP A 6 2.890 0.159 -10.818 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.767 -0.375 -10.843 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.571 0.240 -11.852 1.00 0.00 O ATOM 0 H ASP A 6 3.195 2.174 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 6 1.540 1.807 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.113 1.604 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.966 0.071 -8.957 1.00 0.00 H new ATOM 100 N PHE A 7 0.976 -0.611 -8.365 1.00 0.00 N ATOM 101 CA PHE A 7 0.244 -1.634 -7.656 1.00 0.00 C ATOM 102 C PHE A 7 0.597 -3.009 -8.206 1.00 0.00 C ATOM 103 O PHE A 7 0.788 -3.176 -9.427 1.00 0.00 O ATOM 104 CB PHE A 7 -1.277 -1.447 -7.837 1.00 0.00 C ATOM 105 CG PHE A 7 -1.857 -0.131 -7.384 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.907 0.956 -8.246 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.376 0.010 -6.110 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.456 2.156 -7.840 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.930 1.208 -5.699 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.968 2.282 -6.566 1.00 0.00 C ATOM 0 H PHE A 7 0.906 -0.685 -9.380 1.00 0.00 H new ATOM 0 HA PHE A 7 0.512 -1.554 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.512 -1.577 -8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.785 -2.246 -7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.512 0.862 -9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.348 -0.826 -5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.484 2.995 -8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.332 1.304 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.398 3.220 -6.247 1.00 0.00 H new ATOM 120 N ASP A 8 0.695 -3.968 -7.318 1.00 0.00 N ATOM 121 CA ASP A 8 0.857 -5.375 -7.670 1.00 0.00 C ATOM 122 C ASP A 8 -0.480 -5.831 -8.236 1.00 0.00 C ATOM 123 O ASP A 8 -1.518 -5.228 -7.912 1.00 0.00 O ATOM 124 CB ASP A 8 1.183 -6.198 -6.403 1.00 0.00 C ATOM 125 CG ASP A 8 1.618 -7.630 -6.686 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.786 -8.455 -7.134 1.00 0.00 O ATOM 127 OD2 ASP A 8 2.809 -7.941 -6.471 1.00 0.00 O ATOM 0 H ASP A 8 0.665 -3.800 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 8 1.667 -5.512 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.973 -5.693 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.304 -6.217 -5.759 1.00 0.00 H new ATOM 132 N GLU A 9 -0.493 -6.852 -9.070 1.00 0.00 N ATOM 133 CA GLU A 9 -1.744 -7.319 -9.649 1.00 0.00 C ATOM 134 C GLU A 9 -2.705 -7.793 -8.550 1.00 0.00 C ATOM 135 O GLU A 9 -3.927 -7.647 -8.680 1.00 0.00 O ATOM 136 CB GLU A 9 -1.538 -8.448 -10.652 1.00 0.00 C ATOM 137 CG GLU A 9 -0.951 -9.696 -10.043 1.00 0.00 C ATOM 138 CD GLU A 9 -1.265 -10.907 -10.843 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.412 -11.399 -10.741 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.389 -11.402 -11.569 1.00 0.00 O ATOM 0 H GLU A 9 0.336 -7.371 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.174 -6.470 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.495 -8.694 -11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.882 -8.099 -11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.130 -9.586 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.335 -9.821 -9.031 1.00 0.00 H new ATOM 147 N ARG A 10 -2.139 -8.335 -7.454 1.00 0.00 N ATOM 148 CA ARG A 10 -2.936 -8.809 -6.330 1.00 0.00 C ATOM 149 C ARG A 10 -3.658 -7.630 -5.721 1.00 0.00 C ATOM 150 O ARG A 10 -4.860 -7.687 -5.455 1.00 0.00 O ATOM 151 CB ARG A 10 -2.051 -9.506 -5.275 1.00 0.00 C ATOM 152 CG ARG A 10 -1.284 -10.700 -5.824 1.00 0.00 C ATOM 153 CD ARG A 10 -0.405 -11.373 -4.774 1.00 0.00 C ATOM 154 NE ARG A 10 0.458 -12.407 -5.383 1.00 0.00 N ATOM 155 CZ ARG A 10 0.943 -13.505 -4.767 1.00 0.00 C ATOM 156 NH1 ARG A 10 0.550 -13.832 -3.534 1.00 0.00 N ATOM 157 NH2 ARG A 10 1.778 -14.313 -5.423 1.00 0.00 N ATOM 0 H ARG A 10 -1.133 -8.451 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.658 -9.544 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.342 -8.783 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.678 -9.836 -4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.991 -11.429 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.661 -10.374 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.214 -10.624 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.033 -11.825 -4.006 1.00 0.00 H new ATOM 0 HE ARG A 10 0.711 -12.278 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.127 -13.248 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.927 -14.666 -3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.046 -14.099 -6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.149 -15.145 -4.964 1.00 0.00 H new ATOM 171 N ALA A 11 -2.926 -6.532 -5.597 1.00 0.00 N ATOM 172 CA ALA A 11 -3.449 -5.303 -5.056 1.00 0.00 C ATOM 173 C ALA A 11 -4.496 -4.707 -5.980 1.00 0.00 C ATOM 174 O ALA A 11 -5.477 -4.186 -5.516 1.00 0.00 O ATOM 175 CB ALA A 11 -2.333 -4.303 -4.810 1.00 0.00 C ATOM 0 H ALA A 11 -1.946 -6.477 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.923 -5.533 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.752 -3.383 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.619 -4.722 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.826 -4.085 -5.750 1.00 0.00 H new ATOM 181 N LEU A 12 -4.293 -4.831 -7.292 1.00 0.00 N ATOM 182 CA LEU A 12 -5.225 -4.283 -8.272 1.00 0.00 C ATOM 183 C LEU A 12 -6.573 -4.948 -8.178 1.00 0.00 C ATOM 184 O LEU A 12 -7.602 -4.283 -8.216 1.00 0.00 O ATOM 185 CB LEU A 12 -4.679 -4.412 -9.690 1.00 0.00 C ATOM 186 CG LEU A 12 -3.566 -3.445 -10.090 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.059 -3.787 -11.479 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.082 -2.006 -10.065 1.00 0.00 C ATOM 0 H LEU A 12 -3.489 -5.308 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.344 -3.224 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.309 -5.429 -9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.508 -4.283 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.747 -3.538 -9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.266 -3.093 -11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.669 -4.805 -11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.877 -3.709 -12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.279 -1.327 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.911 -1.905 -10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.424 -1.760 -9.060 1.00 0.00 H new ATOM 200 N LYS A 13 -6.558 -6.250 -8.036 1.00 0.00 N ATOM 201 CA LYS A 13 -7.771 -7.031 -7.907 1.00 0.00 C ATOM 202 C LYS A 13 -8.547 -6.606 -6.662 1.00 0.00 C ATOM 203 O LYS A 13 -9.759 -6.394 -6.712 1.00 0.00 O ATOM 204 CB LYS A 13 -7.404 -8.507 -7.845 1.00 0.00 C ATOM 205 CG LYS A 13 -6.844 -9.049 -9.153 1.00 0.00 C ATOM 206 CD LYS A 13 -6.184 -10.398 -8.952 1.00 0.00 C ATOM 207 CE LYS A 13 -5.883 -11.096 -10.287 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.910 -10.375 -11.138 1.00 0.00 N ATOM 0 H LYS A 13 -5.702 -6.804 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.414 -6.860 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.669 -8.658 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.289 -9.082 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.647 -9.140 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.119 -8.344 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.257 -10.268 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.833 -11.033 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.501 -12.096 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.814 -11.217 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.301 -10.264 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.721 -9.437 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.023 -10.917 -11.187 1.00 0.00 H new ATOM 222 N GLU A 14 -7.827 -6.423 -5.575 1.00 0.00 N ATOM 223 CA GLU A 14 -8.414 -5.993 -4.319 1.00 0.00 C ATOM 224 C GLU A 14 -8.901 -4.530 -4.410 1.00 0.00 C ATOM 225 O GLU A 14 -9.964 -4.187 -3.918 1.00 0.00 O ATOM 226 CB GLU A 14 -7.384 -6.165 -3.204 1.00 0.00 C ATOM 227 CG GLU A 14 -6.931 -7.609 -3.008 1.00 0.00 C ATOM 228 CD GLU A 14 -8.020 -8.496 -2.460 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.962 -8.840 -3.187 1.00 0.00 O ATOM 230 OE2 GLU A 14 -7.987 -8.834 -1.263 1.00 0.00 O ATOM 0 H GLU A 14 -6.818 -6.568 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.286 -6.608 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.514 -5.547 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.807 -5.796 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.589 -8.010 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.078 -7.628 -2.330 1.00 0.00 H new ATOM 237 N TRP A 15 -8.119 -3.709 -5.073 1.00 0.00 N ATOM 238 CA TRP A 15 -8.393 -2.283 -5.279 1.00 0.00 C ATOM 239 C TRP A 15 -9.681 -2.074 -6.090 1.00 0.00 C ATOM 240 O TRP A 15 -10.498 -1.214 -5.767 1.00 0.00 O ATOM 241 CB TRP A 15 -7.174 -1.669 -5.998 1.00 0.00 C ATOM 242 CG TRP A 15 -7.245 -0.215 -6.344 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.642 0.315 -7.531 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.861 0.889 -5.517 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.546 1.679 -7.495 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.066 2.060 -6.270 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.369 1.004 -4.212 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.794 3.330 -5.765 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.100 2.264 -3.713 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.312 3.408 -4.487 1.00 0.00 C ATOM 0 H TRP A 15 -7.245 -4.013 -5.502 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.549 -1.790 -4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.297 -1.824 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.008 -2.228 -6.919 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.984 -0.258 -8.380 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.792 2.310 -8.257 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.203 0.125 -3.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.957 4.217 -6.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.719 2.367 -2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.090 4.377 -4.066 1.00 0.00 H new ATOM 261 N ARG A 16 -9.849 -2.859 -7.143 1.00 0.00 N ATOM 262 CA ARG A 16 -11.049 -2.770 -7.977 1.00 0.00 C ATOM 263 C ARG A 16 -12.243 -3.414 -7.282 1.00 0.00 C ATOM 264 O ARG A 16 -13.395 -3.164 -7.628 1.00 0.00 O ATOM 265 CB ARG A 16 -10.817 -3.399 -9.341 1.00 0.00 C ATOM 266 CG ARG A 16 -9.654 -2.781 -10.095 1.00 0.00 C ATOM 267 CD ARG A 16 -9.485 -3.417 -11.448 1.00 0.00 C ATOM 268 NE ARG A 16 -10.574 -3.053 -12.373 1.00 0.00 N ATOM 269 CZ ARG A 16 -11.162 -3.887 -13.238 1.00 0.00 C ATOM 270 NH1 ARG A 16 -10.936 -5.190 -13.167 1.00 0.00 N ATOM 271 NH2 ARG A 16 -12.017 -3.406 -14.140 1.00 0.00 N ATOM 0 H ARG A 16 -9.176 -3.564 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.271 -1.714 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.634 -4.466 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.723 -3.299 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.820 -1.710 -10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.738 -2.900 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.530 -3.111 -11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.452 -4.501 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.905 -2.089 -12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.312 -5.561 -12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.386 -5.823 -13.828 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.220 -2.407 -14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.468 -4.037 -14.802 1.00 0.00 H new ATOM 285 N LYS A 17 -11.946 -4.276 -6.334 1.00 0.00 N ATOM 286 CA LYS A 17 -12.956 -4.917 -5.502 1.00 0.00 C ATOM 287 C LYS A 17 -13.491 -3.906 -4.480 1.00 0.00 C ATOM 288 O LYS A 17 -14.671 -3.926 -4.118 1.00 0.00 O ATOM 289 CB LYS A 17 -12.325 -6.102 -4.772 1.00 0.00 C ATOM 290 CG LYS A 17 -13.274 -6.907 -3.906 1.00 0.00 C ATOM 291 CD LYS A 17 -12.534 -7.976 -3.118 1.00 0.00 C ATOM 292 CE LYS A 17 -11.647 -7.373 -2.032 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.881 -8.408 -1.319 1.00 0.00 N ATOM 0 H LYS A 17 -10.991 -4.558 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.779 -5.269 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.880 -6.768 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.513 -5.732 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.795 -6.241 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.033 -7.375 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.255 -8.655 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.923 -8.570 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.960 -6.655 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.264 -6.823 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.204 -7.955 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.532 -9.008 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.364 -8.993 -2.006 1.00 0.00 H new ATOM 307 N LEU A 18 -12.598 -3.050 -4.019 1.00 0.00 N ATOM 308 CA LEU A 18 -12.904 -1.990 -3.062 1.00 0.00 C ATOM 309 C LEU A 18 -13.895 -0.990 -3.609 1.00 0.00 C ATOM 310 O LEU A 18 -14.033 -0.823 -4.832 1.00 0.00 O ATOM 311 CB LEU A 18 -11.636 -1.230 -2.676 1.00 0.00 C ATOM 312 CG LEU A 18 -11.061 -1.491 -1.292 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.696 -2.949 -1.100 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.862 -0.599 -1.064 1.00 0.00 C ATOM 0 H LEU A 18 -11.618 -3.068 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.340 -2.483 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.866 -1.464 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.843 -0.163 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.828 -1.257 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.289 -3.093 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.586 -3.566 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.950 -3.238 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.452 -0.788 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.103 -0.810 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.166 0.445 -1.138 1.00 0.00 H new ATOM 326 N GLY A 19 -14.564 -0.315 -2.703 1.00 0.00 N ATOM 327 CA GLY A 19 -15.476 0.721 -3.078 1.00 0.00 C ATOM 328 C GLY A 19 -14.720 1.914 -3.610 1.00 0.00 C ATOM 329 O GLY A 19 -13.582 2.168 -3.175 1.00 0.00 O ATOM 0 H GLY A 19 -14.488 -0.472 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.166 0.351 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.076 1.016 -2.217 1.00 0.00 H new ATOM 333 N SER A 20 -15.338 2.646 -4.519 1.00 0.00 N ATOM 334 CA SER A 20 -14.698 3.764 -5.189 1.00 0.00 C ATOM 335 C SER A 20 -14.209 4.812 -4.199 1.00 0.00 C ATOM 336 O SER A 20 -13.066 5.193 -4.230 1.00 0.00 O ATOM 337 CB SER A 20 -15.644 4.397 -6.214 1.00 0.00 C ATOM 338 OG SER A 20 -14.987 5.395 -6.991 1.00 0.00 O ATOM 0 H SER A 20 -16.300 2.482 -4.814 1.00 0.00 H new ATOM 0 HA SER A 20 -13.826 3.372 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.037 3.623 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.496 4.840 -5.698 1.00 0.00 H new ATOM 0 HG SER A 20 -14.778 6.166 -6.424 1.00 0.00 H new ATOM 344 N THR A 21 -15.045 5.208 -3.297 1.00 0.00 N ATOM 345 CA THR A 21 -14.707 6.245 -2.360 1.00 0.00 C ATOM 346 C THR A 21 -13.630 5.743 -1.394 1.00 0.00 C ATOM 347 O THR A 21 -12.677 6.454 -1.100 1.00 0.00 O ATOM 348 CB THR A 21 -15.962 6.695 -1.601 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.009 6.931 -2.562 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.707 7.991 -0.846 1.00 0.00 C ATOM 0 H THR A 21 -15.984 4.826 -3.183 1.00 0.00 H new ATOM 0 HA THR A 21 -14.309 7.105 -2.899 1.00 0.00 H new ATOM 0 HB THR A 21 -16.240 5.920 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.822 7.218 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.612 8.288 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.900 7.842 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.426 8.773 -1.551 1.00 0.00 H new ATOM 358 N VAL A 22 -13.740 4.474 -1.002 1.00 0.00 N ATOM 359 CA VAL A 22 -12.785 3.859 -0.098 1.00 0.00 C ATOM 360 C VAL A 22 -11.392 3.860 -0.720 1.00 0.00 C ATOM 361 O VAL A 22 -10.412 4.273 -0.087 1.00 0.00 O ATOM 362 CB VAL A 22 -13.214 2.414 0.258 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.163 1.724 1.098 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.534 2.431 0.998 1.00 0.00 C ATOM 0 H VAL A 22 -14.490 3.852 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.760 4.443 0.822 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.328 1.857 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.492 0.712 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.225 1.682 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.014 2.280 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.827 1.410 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.429 3.009 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.298 2.886 0.368 1.00 0.00 H new ATOM 374 N ARG A 23 -11.314 3.450 -1.972 1.00 0.00 N ATOM 375 CA ARG A 23 -10.052 3.456 -2.669 1.00 0.00 C ATOM 376 C ARG A 23 -9.574 4.898 -2.895 1.00 0.00 C ATOM 377 O ARG A 23 -8.389 5.170 -2.845 1.00 0.00 O ATOM 378 CB ARG A 23 -10.089 2.669 -3.990 1.00 0.00 C ATOM 379 CG ARG A 23 -11.070 3.196 -5.009 1.00 0.00 C ATOM 380 CD ARG A 23 -10.738 2.737 -6.399 1.00 0.00 C ATOM 381 NE ARG A 23 -11.555 3.423 -7.410 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.839 2.937 -8.622 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.417 1.728 -8.969 1.00 0.00 N ATOM 384 NH2 ARG A 23 -12.546 3.659 -9.474 1.00 0.00 N ATOM 0 H ARG A 23 -12.106 3.112 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.334 2.940 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.091 2.675 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.335 1.630 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.076 2.866 -4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.074 4.286 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.682 2.920 -6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.895 1.661 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.934 4.339 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.875 1.168 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.634 1.358 -9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.875 4.587 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.763 3.288 -10.399 1.00 0.00 H new ATOM 398 N GLU A 24 -10.507 5.814 -3.137 1.00 0.00 N ATOM 399 CA GLU A 24 -10.173 7.214 -3.340 1.00 0.00 C ATOM 400 C GLU A 24 -9.545 7.851 -2.097 1.00 0.00 C ATOM 401 O GLU A 24 -8.597 8.622 -2.228 1.00 0.00 O ATOM 402 CB GLU A 24 -11.360 8.016 -3.876 1.00 0.00 C ATOM 403 CG GLU A 24 -11.748 7.610 -5.295 1.00 0.00 C ATOM 404 CD GLU A 24 -12.939 8.358 -5.837 1.00 0.00 C ATOM 405 OE1 GLU A 24 -12.761 9.513 -6.301 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.072 7.825 -5.820 1.00 0.00 O ATOM 0 H GLU A 24 -11.504 5.607 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.406 7.243 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.216 7.877 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.114 9.078 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.896 7.774 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.963 6.542 -5.311 1.00 0.00 H new ATOM 413 N GLN A 25 -10.040 7.520 -0.896 1.00 0.00 N ATOM 414 CA GLN A 25 -9.387 8.002 0.338 1.00 0.00 C ATOM 415 C GLN A 25 -7.986 7.434 0.451 1.00 0.00 C ATOM 416 O GLN A 25 -7.046 8.145 0.814 1.00 0.00 O ATOM 417 CB GLN A 25 -10.162 7.692 1.630 1.00 0.00 C ATOM 418 CG GLN A 25 -11.282 8.664 2.003 1.00 0.00 C ATOM 419 CD GLN A 25 -12.477 8.612 1.096 1.00 0.00 C ATOM 420 OE1 GLN A 25 -13.396 7.844 1.330 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.508 9.457 0.105 1.00 0.00 N ATOM 0 H GLN A 25 -10.865 6.938 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.361 9.088 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.592 6.695 1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.450 7.658 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.605 8.452 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.882 9.678 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.719 10.082 -0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.322 9.493 -0.509 1.00 0.00 H new ATOM 430 N LEU A 26 -7.845 6.162 0.114 1.00 0.00 N ATOM 431 CA LEU A 26 -6.550 5.501 0.132 1.00 0.00 C ATOM 432 C LEU A 26 -5.603 6.160 -0.862 1.00 0.00 C ATOM 433 O LEU A 26 -4.441 6.390 -0.560 1.00 0.00 O ATOM 434 CB LEU A 26 -6.693 4.009 -0.160 1.00 0.00 C ATOM 435 CG LEU A 26 -7.466 3.186 0.883 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.572 1.750 0.446 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.796 3.270 2.249 1.00 0.00 C ATOM 0 H LEU A 26 -8.618 5.563 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.127 5.606 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.189 3.894 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.695 3.582 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.469 3.604 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.122 1.181 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.098 1.698 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.573 1.329 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.362 2.679 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.780 2.882 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.766 4.309 2.576 1.00 0.00 H new ATOM 449 N LYS A 27 -6.127 6.483 -2.037 1.00 0.00 N ATOM 450 CA LYS A 27 -5.381 7.199 -3.064 1.00 0.00 C ATOM 451 C LYS A 27 -4.900 8.556 -2.536 1.00 0.00 C ATOM 452 O LYS A 27 -3.764 8.970 -2.791 1.00 0.00 O ATOM 453 CB LYS A 27 -6.250 7.423 -4.292 1.00 0.00 C ATOM 454 CG LYS A 27 -5.527 8.143 -5.418 1.00 0.00 C ATOM 455 CD LYS A 27 -6.472 8.554 -6.524 1.00 0.00 C ATOM 456 CE LYS A 27 -7.416 9.661 -6.065 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.356 10.054 -7.127 1.00 0.00 N ATOM 0 H LYS A 27 -7.084 6.255 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.517 6.592 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.607 6.460 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.129 8.001 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.027 9.026 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.752 7.494 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.899 8.896 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.052 7.690 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.975 9.323 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.834 10.529 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.980 10.808 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.824 10.400 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.929 9.232 -7.405 1.00 0.00 H new ATOM 471 N LYS A 28 -5.775 9.243 -1.813 1.00 0.00 N ATOM 472 CA LYS A 28 -5.429 10.519 -1.193 1.00 0.00 C ATOM 473 C LYS A 28 -4.270 10.350 -0.232 1.00 0.00 C ATOM 474 O LYS A 28 -3.395 11.213 -0.137 1.00 0.00 O ATOM 475 CB LYS A 28 -6.633 11.152 -0.500 1.00 0.00 C ATOM 476 CG LYS A 28 -7.723 11.550 -1.467 1.00 0.00 C ATOM 477 CD LYS A 28 -8.914 12.162 -0.765 1.00 0.00 C ATOM 478 CE LYS A 28 -9.947 12.589 -1.782 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.126 13.241 -1.174 1.00 0.00 N ATOM 0 H LYS A 28 -6.733 8.938 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.118 11.200 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.038 10.449 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.306 12.032 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.324 12.262 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.046 10.674 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.349 11.441 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.597 13.021 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.486 13.275 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.273 11.716 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.797 13.511 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.587 12.581 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.824 14.091 -0.657 1.00 0.00 H new ATOM 493 N LYS A 29 -4.254 9.232 0.458 1.00 0.00 N ATOM 494 CA LYS A 29 -3.137 8.905 1.321 1.00 0.00 C ATOM 495 C LYS A 29 -1.881 8.600 0.542 1.00 0.00 C ATOM 496 O LYS A 29 -0.800 8.981 0.950 1.00 0.00 O ATOM 497 CB LYS A 29 -3.439 7.793 2.311 1.00 0.00 C ATOM 498 CG LYS A 29 -4.046 8.267 3.618 1.00 0.00 C ATOM 499 CD LYS A 29 -5.393 8.911 3.446 1.00 0.00 C ATOM 500 CE LYS A 29 -5.863 9.478 4.754 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.984 10.586 5.219 1.00 0.00 N ATOM 0 H LYS A 29 -4.998 8.535 0.440 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.962 9.807 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.121 7.082 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.516 7.254 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.140 7.419 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.368 8.978 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.334 9.702 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.111 8.178 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.884 9.844 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.884 8.690 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.556 11.296 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.260 10.208 5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.521 11.029 4.400 1.00 0.00 H new ATOM 515 N LEU A 30 -2.028 7.935 -0.578 1.00 0.00 N ATOM 516 CA LEU A 30 -0.898 7.605 -1.434 1.00 0.00 C ATOM 517 C LEU A 30 -0.232 8.872 -1.953 1.00 0.00 C ATOM 518 O LEU A 30 0.989 9.034 -1.856 1.00 0.00 O ATOM 519 CB LEU A 30 -1.357 6.749 -2.624 1.00 0.00 C ATOM 520 CG LEU A 30 -2.041 5.427 -2.282 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.475 4.700 -3.540 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.124 4.556 -1.449 1.00 0.00 C ATOM 0 H LEU A 30 -2.928 7.605 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.180 7.040 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.043 7.343 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.488 6.534 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.934 5.647 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.959 3.762 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.175 5.323 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.603 4.492 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.627 3.618 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.212 4.348 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.872 5.074 -0.524 1.00 0.00 H new ATOM 534 N VAL A 31 -1.045 9.790 -2.446 1.00 0.00 N ATOM 535 CA VAL A 31 -0.538 11.012 -3.023 1.00 0.00 C ATOM 536 C VAL A 31 0.161 11.889 -1.958 1.00 0.00 C ATOM 537 O VAL A 31 1.228 12.450 -2.227 1.00 0.00 O ATOM 538 CB VAL A 31 -1.644 11.792 -3.833 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.731 12.372 -2.955 1.00 0.00 C ATOM 540 CG2 VAL A 31 -1.051 12.855 -4.739 1.00 0.00 C ATOM 0 H VAL A 31 -2.062 9.707 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 31 0.224 10.739 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.119 11.042 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.459 12.895 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.228 11.568 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.290 13.071 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.852 13.364 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.499 13.578 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.375 12.387 -5.455 1.00 0.00 H new ATOM 550 N GLU A 32 -0.420 11.978 -0.750 1.00 0.00 N ATOM 551 CA GLU A 32 0.196 12.744 0.339 1.00 0.00 C ATOM 552 C GLU A 32 1.476 12.063 0.862 1.00 0.00 C ATOM 553 O GLU A 32 2.506 12.710 1.032 1.00 0.00 O ATOM 554 CB GLU A 32 -0.797 13.036 1.505 1.00 0.00 C ATOM 555 CG GLU A 32 -1.320 11.799 2.216 1.00 0.00 C ATOM 556 CD GLU A 32 -2.277 12.080 3.359 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.823 12.353 4.471 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.515 11.996 3.173 1.00 0.00 O ATOM 0 H GLU A 32 -1.305 11.533 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 32 0.477 13.707 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.301 13.676 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.644 13.598 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.823 11.164 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.472 11.233 2.601 1.00 0.00 H new ATOM 565 N VAL A 33 1.414 10.744 1.046 1.00 0.00 N ATOM 566 CA VAL A 33 2.489 9.975 1.665 1.00 0.00 C ATOM 567 C VAL A 33 3.786 10.027 0.858 1.00 0.00 C ATOM 568 O VAL A 33 4.850 9.965 1.420 1.00 0.00 O ATOM 569 CB VAL A 33 2.090 8.505 2.018 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.104 7.571 0.811 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.939 7.972 3.155 1.00 0.00 C ATOM 0 H VAL A 33 0.612 10.178 0.768 1.00 0.00 H new ATOM 0 HA VAL A 33 2.677 10.472 2.617 1.00 0.00 H new ATOM 0 HB VAL A 33 1.053 8.534 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.818 6.567 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.398 7.932 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.106 7.546 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.642 6.948 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.989 7.989 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.797 8.595 4.038 1.00 0.00 H new ATOM 581 N LEU A 34 3.670 10.174 -0.460 1.00 0.00 N ATOM 582 CA LEU A 34 4.823 10.203 -1.376 1.00 0.00 C ATOM 583 C LEU A 34 5.903 11.238 -0.981 1.00 0.00 C ATOM 584 O LEU A 34 7.062 11.071 -1.360 1.00 0.00 O ATOM 585 CB LEU A 34 4.361 10.488 -2.815 1.00 0.00 C ATOM 586 CG LEU A 34 3.494 9.421 -3.486 1.00 0.00 C ATOM 587 CD1 LEU A 34 3.026 9.898 -4.846 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.259 8.117 -3.629 1.00 0.00 C ATOM 0 H LEU A 34 2.771 10.277 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 34 5.279 9.215 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.805 11.426 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.246 10.643 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 34 2.624 9.246 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.410 9.127 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.440 10.810 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.891 10.101 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.623 7.373 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.148 8.282 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.556 7.759 -2.643 1.00 0.00 H new ATOM 600 N GLU A 35 5.524 12.303 -0.254 1.00 0.00 N ATOM 601 CA GLU A 35 6.500 13.314 0.174 1.00 0.00 C ATOM 602 C GLU A 35 7.469 12.734 1.227 1.00 0.00 C ATOM 603 O GLU A 35 8.610 13.178 1.342 1.00 0.00 O ATOM 604 CB GLU A 35 5.806 14.592 0.707 1.00 0.00 C ATOM 605 CG GLU A 35 4.986 14.399 1.978 1.00 0.00 C ATOM 606 CD GLU A 35 4.232 15.645 2.391 1.00 0.00 C ATOM 607 OE1 GLU A 35 4.834 16.566 2.972 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.009 15.720 2.149 1.00 0.00 O ATOM 0 H GLU A 35 4.565 12.483 0.044 1.00 0.00 H new ATOM 0 HA GLU A 35 7.079 13.599 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.567 15.349 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.153 14.984 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.277 13.586 1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.649 14.097 2.789 1.00 0.00 H new ATOM 615 N SER A 36 7.006 11.732 1.967 1.00 0.00 N ATOM 616 CA SER A 36 7.796 11.066 2.980 1.00 0.00 C ATOM 617 C SER A 36 7.153 9.724 3.328 1.00 0.00 C ATOM 618 O SER A 36 6.399 9.625 4.272 1.00 0.00 O ATOM 619 CB SER A 36 7.965 11.948 4.243 1.00 0.00 C ATOM 620 OG SER A 36 8.823 11.337 5.217 1.00 0.00 O ATOM 0 H SER A 36 6.061 11.360 1.874 1.00 0.00 H new ATOM 0 HA SER A 36 8.795 10.890 2.581 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.375 12.916 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.988 12.135 4.688 1.00 0.00 H new ATOM 0 HG SER A 36 8.904 11.926 5.996 1.00 0.00 H new ATOM 626 N PRO A 37 7.368 8.680 2.508 1.00 0.00 N ATOM 627 CA PRO A 37 6.805 7.354 2.771 1.00 0.00 C ATOM 628 C PRO A 37 7.644 6.543 3.761 1.00 0.00 C ATOM 629 O PRO A 37 7.352 5.393 4.038 1.00 0.00 O ATOM 630 CB PRO A 37 6.803 6.704 1.392 1.00 0.00 C ATOM 631 CG PRO A 37 7.974 7.309 0.702 1.00 0.00 C ATOM 632 CD PRO A 37 8.078 8.726 1.211 1.00 0.00 C ATOM 0 HA PRO A 37 5.819 7.408 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.898 5.620 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.876 6.908 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.884 6.750 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.839 7.293 -0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.117 9.034 1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.614 9.434 0.524 1.00 0.00 H new ATOM 640 N ARG A 38 8.659 7.165 4.319 1.00 0.00 N ATOM 641 CA ARG A 38 9.546 6.514 5.273 1.00 0.00 C ATOM 642 C ARG A 38 9.046 6.684 6.720 1.00 0.00 C ATOM 643 O ARG A 38 9.830 6.713 7.669 1.00 0.00 O ATOM 644 CB ARG A 38 11.011 7.004 5.066 1.00 0.00 C ATOM 645 CG ARG A 38 11.238 8.533 4.987 1.00 0.00 C ATOM 646 CD ARG A 38 11.048 9.263 6.317 1.00 0.00 C ATOM 647 NE ARG A 38 11.967 8.789 7.371 1.00 0.00 N ATOM 648 CZ ARG A 38 12.036 9.293 8.618 1.00 0.00 C ATOM 649 NH1 ARG A 38 11.317 10.362 8.950 1.00 0.00 N ATOM 650 NH2 ARG A 38 12.840 8.737 9.518 1.00 0.00 N ATOM 0 H ARG A 38 8.898 8.138 4.127 1.00 0.00 H new ATOM 0 HA ARG A 38 9.538 5.440 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.617 6.614 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.390 6.558 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.248 8.721 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.551 8.954 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.200 10.331 6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.020 9.132 6.653 1.00 0.00 H new ATOM 0 HE ARG A 38 12.597 8.022 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.710 10.803 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.372 10.740 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.406 7.927 9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.891 9.120 10.462 1.00 0.00 H new ATOM 664 N ILE A 39 7.734 6.658 6.875 1.00 0.00 N ATOM 665 CA ILE A 39 7.100 6.913 8.153 1.00 0.00 C ATOM 666 C ILE A 39 7.110 5.658 9.015 1.00 0.00 C ATOM 667 O ILE A 39 6.336 4.718 8.803 1.00 0.00 O ATOM 668 CB ILE A 39 5.651 7.454 7.971 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.712 8.739 7.141 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.994 7.723 9.332 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.376 9.313 6.726 1.00 0.00 C ATOM 0 H ILE A 39 7.080 6.459 6.118 1.00 0.00 H new ATOM 0 HA ILE A 39 7.675 7.685 8.664 1.00 0.00 H new ATOM 0 HB ILE A 39 5.045 6.709 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.250 9.495 7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.298 8.543 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.983 8.100 9.180 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.953 6.797 9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.579 8.463 9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.535 10.221 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.839 8.583 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.790 9.550 7.614 1.00 0.00 H new ATOM 683 N GLU A 40 7.991 5.682 9.999 1.00 0.00 N ATOM 684 CA GLU A 40 8.275 4.559 10.894 1.00 0.00 C ATOM 685 C GLU A 40 7.031 4.008 11.615 1.00 0.00 C ATOM 686 O GLU A 40 6.941 2.804 11.866 1.00 0.00 O ATOM 687 CB GLU A 40 9.337 4.975 11.910 1.00 0.00 C ATOM 688 CG GLU A 40 8.955 6.202 12.727 1.00 0.00 C ATOM 689 CD GLU A 40 9.974 6.542 13.765 1.00 0.00 C ATOM 690 OE1 GLU A 40 10.098 5.790 14.748 1.00 0.00 O ATOM 691 OE2 GLU A 40 10.693 7.566 13.611 1.00 0.00 O ATOM 0 H GLU A 40 8.551 6.508 10.210 1.00 0.00 H new ATOM 0 HA GLU A 40 8.642 3.744 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.525 4.142 12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.271 5.175 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.825 7.053 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.994 6.027 13.210 1.00 0.00 H new ATOM 698 N ALA A 41 6.072 4.876 11.908 1.00 0.00 N ATOM 699 CA ALA A 41 4.855 4.478 12.611 1.00 0.00 C ATOM 700 C ALA A 41 4.005 3.549 11.747 1.00 0.00 C ATOM 701 O ALA A 41 3.357 2.626 12.243 1.00 0.00 O ATOM 702 CB ALA A 41 4.057 5.708 13.019 1.00 0.00 C ATOM 0 H ALA A 41 6.112 5.867 11.669 1.00 0.00 H new ATOM 0 HA ALA A 41 5.141 3.933 13.510 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.152 5.398 13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.661 6.332 13.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.785 6.277 12.130 1.00 0.00 H new ATOM 708 N ASN A 42 4.067 3.755 10.452 1.00 0.00 N ATOM 709 CA ASN A 42 3.277 2.971 9.523 1.00 0.00 C ATOM 710 C ASN A 42 4.066 1.796 8.999 1.00 0.00 C ATOM 711 O ASN A 42 3.546 0.987 8.240 1.00 0.00 O ATOM 712 CB ASN A 42 2.782 3.825 8.343 1.00 0.00 C ATOM 713 CG ASN A 42 1.747 4.869 8.730 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.987 4.698 9.686 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.695 5.945 7.983 1.00 0.00 N ATOM 0 H ASN A 42 4.658 4.461 10.014 1.00 0.00 H new ATOM 0 HA ASN A 42 2.411 2.603 10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.636 4.326 7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.355 3.168 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.010 6.674 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.339 6.054 7.200 1.00 0.00 H new ATOM 722 N LYS A 43 5.313 1.692 9.403 1.00 0.00 N ATOM 723 CA LYS A 43 6.167 0.682 8.944 1.00 0.00 C ATOM 724 C LYS A 43 5.865 -0.616 9.652 1.00 0.00 C ATOM 725 O LYS A 43 5.605 -0.636 10.862 1.00 0.00 O ATOM 726 CB LYS A 43 7.589 1.125 9.170 1.00 0.00 C ATOM 727 CG LYS A 43 8.579 0.278 8.483 1.00 0.00 C ATOM 728 CD LYS A 43 9.912 0.986 8.373 1.00 0.00 C ATOM 729 CE LYS A 43 10.837 0.263 7.421 1.00 0.00 C ATOM 730 NZ LYS A 43 11.936 1.138 6.971 1.00 0.00 N ATOM 0 H LYS A 43 5.745 2.330 10.071 1.00 0.00 H new ATOM 0 HA LYS A 43 6.016 0.507 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.701 2.154 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.798 1.121 10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.704 -0.658 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.216 0.021 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.757 2.008 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.376 1.049 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.249 -0.619 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.272 -0.087 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.232 0.860 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.611 2.126 6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.742 1.046 7.622 1.00 0.00 H new ATOM 744 N LEU A 44 5.872 -1.674 8.903 1.00 0.00 N ATOM 745 CA LEU A 44 5.559 -2.981 9.417 1.00 0.00 C ATOM 746 C LEU A 44 6.789 -3.626 10.023 1.00 0.00 C ATOM 747 O LEU A 44 7.921 -3.284 9.661 1.00 0.00 O ATOM 748 CB LEU A 44 4.977 -3.861 8.314 1.00 0.00 C ATOM 749 CG LEU A 44 3.703 -3.339 7.654 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.200 -4.307 6.622 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.629 -3.079 8.677 1.00 0.00 C ATOM 0 H LEU A 44 6.096 -1.660 7.908 1.00 0.00 H new ATOM 0 HA LEU A 44 4.811 -2.873 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.736 -3.994 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.770 -4.846 8.732 1.00 0.00 H new ATOM 0 HG LEU A 44 3.950 -2.398 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.292 -3.913 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.960 -4.448 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.982 -5.264 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.734 -2.708 8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.395 -4.005 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.980 -2.335 9.392 1.00 0.00 H new ATOM 763 N ARG A 45 6.566 -4.541 10.931 1.00 0.00 N ATOM 764 CA ARG A 45 7.634 -5.210 11.630 1.00 0.00 C ATOM 765 C ARG A 45 8.083 -6.416 10.824 1.00 0.00 C ATOM 766 O ARG A 45 7.275 -7.272 10.482 1.00 0.00 O ATOM 767 CB ARG A 45 7.132 -5.618 13.044 1.00 0.00 C ATOM 768 CG ARG A 45 8.188 -6.146 14.048 1.00 0.00 C ATOM 769 CD ARG A 45 8.710 -7.536 13.706 1.00 0.00 C ATOM 770 NE ARG A 45 7.623 -8.521 13.662 1.00 0.00 N ATOM 771 CZ ARG A 45 7.582 -9.600 12.871 1.00 0.00 C ATOM 772 NH1 ARG A 45 8.586 -9.865 12.036 1.00 0.00 N ATOM 773 NH2 ARG A 45 6.535 -10.413 12.923 1.00 0.00 N ATOM 0 H ARG A 45 5.633 -4.845 11.208 1.00 0.00 H new ATOM 0 HA ARG A 45 8.492 -4.548 11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.644 -4.752 13.492 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.368 -6.386 12.922 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.026 -5.450 14.081 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.751 -6.166 15.046 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.217 -7.509 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.449 -7.841 14.447 1.00 0.00 H new ATOM 0 HE ARG A 45 6.831 -8.371 14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.394 -9.243 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.547 -10.689 11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.766 -10.214 13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.499 -11.237 12.322 1.00 0.00 H new ATOM 787 N GLY A 46 9.356 -6.446 10.487 1.00 0.00 N ATOM 788 CA GLY A 46 9.943 -7.595 9.827 1.00 0.00 C ATOM 789 C GLY A 46 9.612 -7.682 8.366 1.00 0.00 C ATOM 790 O GLY A 46 9.841 -8.718 7.731 1.00 0.00 O ATOM 0 H GLY A 46 10.009 -5.682 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.026 -7.557 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.601 -8.503 10.323 1.00 0.00 H new ATOM 794 N MET A 47 9.097 -6.623 7.831 1.00 0.00 N ATOM 795 CA MET A 47 8.730 -6.570 6.445 1.00 0.00 C ATOM 796 C MET A 47 9.674 -5.625 5.747 1.00 0.00 C ATOM 797 O MET A 47 9.917 -4.522 6.253 1.00 0.00 O ATOM 798 CB MET A 47 7.283 -6.098 6.294 1.00 0.00 C ATOM 799 CG MET A 47 6.244 -7.049 6.886 1.00 0.00 C ATOM 800 SD MET A 47 6.106 -8.615 5.993 1.00 0.00 S ATOM 801 CE MET A 47 5.442 -8.057 4.421 1.00 0.00 C ATOM 0 H MET A 47 8.916 -5.760 8.344 1.00 0.00 H new ATOM 0 HA MET A 47 8.801 -7.562 5.999 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.180 -5.124 6.772 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.068 -5.958 5.235 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.502 -7.254 7.925 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.272 -6.555 6.890 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.007 -8.903 3.889 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.673 -7.305 4.597 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.242 -7.624 3.821 1.00 0.00 H new ATOM 811 N PRO A 48 10.249 -6.037 4.602 1.00 0.00 N ATOM 812 CA PRO A 48 11.223 -5.227 3.867 1.00 0.00 C ATOM 813 C PRO A 48 10.622 -3.918 3.354 1.00 0.00 C ATOM 814 O PRO A 48 9.923 -3.894 2.323 1.00 0.00 O ATOM 815 CB PRO A 48 11.672 -6.130 2.711 1.00 0.00 C ATOM 816 CG PRO A 48 10.585 -7.138 2.562 1.00 0.00 C ATOM 817 CD PRO A 48 9.995 -7.329 3.931 1.00 0.00 C ATOM 0 HA PRO A 48 12.052 -4.918 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.808 -5.558 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.626 -6.609 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.828 -6.792 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.977 -8.078 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.929 -7.552 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.469 -8.156 4.460 1.00 0.00 H new ATOM 825 N ASP A 49 10.819 -2.862 4.155 1.00 0.00 N ATOM 826 CA ASP A 49 10.338 -1.506 3.876 1.00 0.00 C ATOM 827 C ASP A 49 8.891 -1.450 3.465 1.00 0.00 C ATOM 828 O ASP A 49 8.521 -0.770 2.505 1.00 0.00 O ATOM 829 CB ASP A 49 11.257 -0.708 2.937 1.00 0.00 C ATOM 830 CG ASP A 49 12.341 0.014 3.704 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.081 1.115 4.211 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.465 -0.511 3.862 1.00 0.00 O ATOM 0 H ASP A 49 11.330 -2.931 5.035 1.00 0.00 H new ATOM 0 HA ASP A 49 10.387 -0.995 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.711 -1.382 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.665 0.014 2.374 1.00 0.00 H new ATOM 837 N CYS A 50 8.063 -2.160 4.198 1.00 0.00 N ATOM 838 CA CYS A 50 6.670 -2.158 3.922 1.00 0.00 C ATOM 839 C CYS A 50 5.976 -1.268 4.925 1.00 0.00 C ATOM 840 O CYS A 50 6.338 -1.245 6.118 1.00 0.00 O ATOM 841 CB CYS A 50 6.120 -3.579 3.967 1.00 0.00 C ATOM 842 SG CYS A 50 6.979 -4.727 2.858 1.00 0.00 S ATOM 0 H CYS A 50 8.344 -2.742 4.987 1.00 0.00 H new ATOM 0 HA CYS A 50 6.489 -1.770 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.189 -3.954 4.988 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.062 -3.558 3.706 1.00 0.00 H new ATOM 0 HG CYS A 50 8.206 -4.333 2.691 1.00 0.00 H new ATOM 848 N TYR A 51 5.007 -0.549 4.457 1.00 0.00 N ATOM 849 CA TYR A 51 4.285 0.402 5.245 1.00 0.00 C ATOM 850 C TYR A 51 2.810 0.204 4.989 1.00 0.00 C ATOM 851 O TYR A 51 2.416 -0.255 3.906 1.00 0.00 O ATOM 852 CB TYR A 51 4.693 1.848 4.866 1.00 0.00 C ATOM 853 CG TYR A 51 6.166 2.194 5.078 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.141 1.782 4.178 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.573 2.925 6.175 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.475 2.087 4.371 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.906 3.233 6.375 1.00 0.00 C ATOM 858 CZ TYR A 51 8.850 2.812 5.470 1.00 0.00 C ATOM 859 OH TYR A 51 10.188 3.111 5.679 1.00 0.00 O ATOM 0 H TYR A 51 4.686 -0.607 3.491 1.00 0.00 H new ATOM 0 HA TYR A 51 4.513 0.252 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.447 2.013 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.087 2.542 5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.850 1.211 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.837 3.263 6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.217 1.756 3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.205 3.804 7.242 1.00 0.00 H new ATOM 0 HH TYR A 51 10.746 2.491 5.165 1.00 0.00 H new ATOM 869 N LYS A 52 2.013 0.514 5.963 1.00 0.00 N ATOM 870 CA LYS A 52 0.586 0.374 5.856 1.00 0.00 C ATOM 871 C LYS A 52 -0.096 1.720 6.023 1.00 0.00 C ATOM 872 O LYS A 52 0.364 2.575 6.771 1.00 0.00 O ATOM 873 CB LYS A 52 0.043 -0.605 6.908 1.00 0.00 C ATOM 874 CG LYS A 52 0.380 -0.195 8.333 1.00 0.00 C ATOM 875 CD LYS A 52 -0.327 -1.040 9.366 1.00 0.00 C ATOM 876 CE LYS A 52 0.088 -0.595 10.749 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.686 -1.240 11.823 1.00 0.00 N ATOM 0 H LYS A 52 2.332 0.874 6.863 1.00 0.00 H new ATOM 0 HA LYS A 52 0.369 -0.022 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.040 -0.678 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.450 -1.598 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.457 -0.271 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.110 0.851 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.407 -0.947 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.081 -2.092 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.146 -0.813 10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.028 0.486 10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.354 -0.894 12.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.694 -1.012 11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.557 -2.271 11.773 1.00 0.00 H new ATOM 891 N ILE A 53 -1.153 1.902 5.311 1.00 0.00 N ATOM 892 CA ILE A 53 -1.975 3.068 5.435 1.00 0.00 C ATOM 893 C ILE A 53 -3.279 2.679 6.077 1.00 0.00 C ATOM 894 O ILE A 53 -3.877 1.668 5.712 1.00 0.00 O ATOM 895 CB ILE A 53 -2.271 3.724 4.057 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.990 4.280 3.440 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.341 4.826 4.178 1.00 0.00 C ATOM 898 CD1 ILE A 53 -1.185 4.839 2.052 1.00 0.00 C ATOM 0 H ILE A 53 -1.482 1.236 4.612 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.436 3.794 6.044 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.665 2.951 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.595 5.063 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.241 3.489 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.525 5.264 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.266 4.395 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.991 5.600 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.235 5.217 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.551 4.053 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.910 5.652 2.086 1.00 0.00 H new ATOM 910 N LYS A 54 -3.672 3.444 7.043 1.00 0.00 N ATOM 911 CA LYS A 54 -4.949 3.309 7.664 1.00 0.00 C ATOM 912 C LYS A 54 -5.878 4.403 7.147 1.00 0.00 C ATOM 913 O LYS A 54 -5.459 5.545 6.950 1.00 0.00 O ATOM 914 CB LYS A 54 -4.837 3.274 9.217 1.00 0.00 C ATOM 915 CG LYS A 54 -3.719 4.139 9.820 1.00 0.00 C ATOM 916 CD LYS A 54 -3.911 5.626 9.586 1.00 0.00 C ATOM 917 CE LYS A 54 -2.663 6.401 9.949 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.306 6.267 11.375 1.00 0.00 N ATOM 0 H LYS A 54 -3.102 4.196 7.430 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.385 2.348 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.789 3.595 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.682 2.241 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.664 3.952 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.764 3.833 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.161 5.803 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.751 5.985 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.832 6.052 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.813 7.455 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.496 6.883 11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.117 6.545 11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.053 5.279 11.578 1.00 0.00 H new ATOM 932 N LEU A 55 -7.101 4.044 6.869 1.00 0.00 N ATOM 933 CA LEU A 55 -8.073 4.991 6.349 1.00 0.00 C ATOM 934 C LEU A 55 -8.782 5.655 7.543 1.00 0.00 C ATOM 935 O LEU A 55 -9.496 6.639 7.398 1.00 0.00 O ATOM 936 CB LEU A 55 -9.055 4.236 5.406 1.00 0.00 C ATOM 937 CG LEU A 55 -9.799 5.047 4.308 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.425 4.103 3.307 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.888 5.940 4.878 1.00 0.00 C ATOM 0 H LEU A 55 -7.459 3.097 6.992 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.602 5.778 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.495 3.443 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.808 3.753 6.029 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.055 5.684 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.945 4.678 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.647 3.498 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.135 3.452 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.375 6.483 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.625 5.328 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.447 6.650 5.577 1.00 0.00 H new ATOM 951 N ARG A 56 -8.559 5.077 8.728 1.00 0.00 N ATOM 952 CA ARG A 56 -9.080 5.550 10.022 1.00 0.00 C ATOM 953 C ARG A 56 -10.572 5.247 10.164 1.00 0.00 C ATOM 954 O ARG A 56 -10.981 4.490 11.032 1.00 0.00 O ATOM 955 CB ARG A 56 -8.827 7.062 10.225 1.00 0.00 C ATOM 956 CG ARG A 56 -9.207 7.596 11.600 1.00 0.00 C ATOM 957 CD ARG A 56 -9.331 9.112 11.582 1.00 0.00 C ATOM 958 NE ARG A 56 -8.140 9.787 11.046 1.00 0.00 N ATOM 959 CZ ARG A 56 -8.167 10.965 10.387 1.00 0.00 C ATOM 960 NH1 ARG A 56 -9.307 11.643 10.271 1.00 0.00 N ATOM 961 NH2 ARG A 56 -7.053 11.464 9.867 1.00 0.00 N ATOM 0 H ARG A 56 -7.990 4.235 8.819 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.538 5.008 10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.770 7.265 10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.386 7.614 9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.152 7.154 11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.455 7.298 12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.198 9.391 10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.515 9.467 12.596 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.235 9.336 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.165 11.273 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.323 12.533 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.173 10.957 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.077 12.354 9.370 1.00 0.00 H new ATOM 975 N SER A 57 -11.358 5.822 9.295 1.00 0.00 N ATOM 976 CA SER A 57 -12.790 5.712 9.363 1.00 0.00 C ATOM 977 C SER A 57 -13.301 4.335 8.889 1.00 0.00 C ATOM 978 O SER A 57 -13.908 3.590 9.655 1.00 0.00 O ATOM 979 CB SER A 57 -13.404 6.844 8.536 1.00 0.00 C ATOM 980 OG SER A 57 -12.856 8.107 8.944 1.00 0.00 O ATOM 0 H SER A 57 -11.020 6.384 8.514 1.00 0.00 H new ATOM 0 HA SER A 57 -13.097 5.801 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.207 6.679 7.477 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.487 6.851 8.662 1.00 0.00 H new ATOM 0 HG SER A 57 -13.254 8.825 8.408 1.00 0.00 H new ATOM 986 N SER A 58 -13.010 3.998 7.656 1.00 0.00 N ATOM 987 CA SER A 58 -13.535 2.802 7.025 1.00 0.00 C ATOM 988 C SER A 58 -12.981 1.488 7.615 1.00 0.00 C ATOM 989 O SER A 58 -13.643 0.459 7.551 1.00 0.00 O ATOM 990 CB SER A 58 -13.232 2.886 5.553 1.00 0.00 C ATOM 991 OG SER A 58 -13.615 4.155 5.058 1.00 0.00 O ATOM 0 H SER A 58 -12.397 4.548 7.054 1.00 0.00 H new ATOM 0 HA SER A 58 -14.608 2.768 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.168 2.724 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.764 2.100 5.017 1.00 0.00 H new ATOM 0 HG SER A 58 -13.415 4.207 4.100 1.00 0.00 H new ATOM 997 N GLY A 59 -11.792 1.522 8.193 1.00 0.00 N ATOM 998 CA GLY A 59 -11.211 0.292 8.713 1.00 0.00 C ATOM 999 C GLY A 59 -10.416 -0.433 7.645 1.00 0.00 C ATOM 1000 O GLY A 59 -10.155 -1.630 7.736 1.00 0.00 O ATOM 0 H GLY A 59 -11.223 2.360 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.563 0.522 9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.003 -0.358 9.085 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.028 0.296 6.637 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.267 -0.259 5.547 1.00 0.00 C ATOM 1006 C TYR A 60 -7.797 0.027 5.719 1.00 0.00 C ATOM 1007 O TYR A 60 -7.413 1.028 6.341 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.771 0.243 4.191 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.049 -0.423 3.716 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.272 -0.174 4.323 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.028 -1.287 2.634 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.433 -0.770 3.868 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.179 -1.888 2.174 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.378 -1.628 2.791 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.530 -2.221 2.321 1.00 0.00 O ATOM 0 H TYR A 60 -10.229 1.292 6.545 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.408 -1.340 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.937 1.319 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.993 0.083 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.317 0.498 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.090 -1.494 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.376 -0.565 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.139 -2.562 1.331 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.314 -2.795 1.557 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.994 -0.874 5.226 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.563 -0.785 5.290 1.00 0.00 C ATOM 1027 C ARG A 61 -4.995 -1.061 3.915 1.00 0.00 C ATOM 1028 O ARG A 61 -5.530 -1.883 3.162 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.929 -1.788 6.296 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.199 -1.562 7.794 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.634 -1.870 8.199 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.811 -1.837 9.654 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.733 -2.551 10.319 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.747 -3.099 9.654 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.694 -2.621 11.650 1.00 0.00 N ATOM 0 H ARG A 61 -7.327 -1.715 4.755 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.321 0.220 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.279 -2.788 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.850 -1.779 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.522 -2.187 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.972 -0.526 8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.305 -1.147 7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.915 -2.853 7.821 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.194 -1.232 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.821 -2.976 8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.450 -3.643 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.962 -2.131 12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.396 -3.164 12.153 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.950 -0.384 3.593 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.262 -0.565 2.340 1.00 0.00 C ATOM 1051 C LEU A 62 -1.798 -0.813 2.662 1.00 0.00 C ATOM 1052 O LEU A 62 -1.209 -0.057 3.410 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.490 0.692 1.454 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.908 0.700 0.027 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.613 1.751 -0.805 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.428 1.021 0.048 1.00 0.00 C ATOM 0 H LEU A 62 -3.533 0.326 4.195 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.637 -1.418 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.565 0.851 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.079 1.551 1.985 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.055 -0.291 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.199 1.754 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.678 1.525 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.469 2.731 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.041 1.020 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.275 2.004 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.901 0.270 0.636 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.234 -1.877 2.135 1.00 0.00 N ATOM 1069 CA VAL A 63 0.137 -2.249 2.441 1.00 0.00 C ATOM 1070 C VAL A 63 1.002 -2.131 1.189 1.00 0.00 C ATOM 1071 O VAL A 63 0.716 -2.755 0.148 1.00 0.00 O ATOM 1072 CB VAL A 63 0.228 -3.698 3.004 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.657 -4.041 3.409 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.715 -3.888 4.187 1.00 0.00 C ATOM 0 H VAL A 63 -1.705 -2.507 1.486 1.00 0.00 H new ATOM 0 HA VAL A 63 0.502 -1.565 3.207 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.077 -4.378 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.691 -5.058 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.310 -3.963 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.994 -3.347 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.630 -4.909 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.449 -3.189 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.741 -3.702 3.868 1.00 0.00 H new ATOM 1084 N TYR A 64 2.039 -1.347 1.284 1.00 0.00 N ATOM 1085 CA TYR A 64 2.928 -1.119 0.177 1.00 0.00 C ATOM 1086 C TYR A 64 4.362 -1.235 0.620 1.00 0.00 C ATOM 1087 O TYR A 64 4.649 -1.149 1.805 1.00 0.00 O ATOM 1088 CB TYR A 64 2.683 0.258 -0.478 1.00 0.00 C ATOM 1089 CG TYR A 64 2.884 1.481 0.414 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.150 1.870 0.848 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.812 2.254 0.789 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.323 2.981 1.628 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.981 3.368 1.568 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.239 3.727 1.985 1.00 0.00 C ATOM 1095 OH TYR A 64 3.408 4.835 2.766 1.00 0.00 O ATOM 0 H TYR A 64 2.294 -0.845 2.135 1.00 0.00 H new ATOM 0 HA TYR A 64 2.723 -1.885 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.347 0.350 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.662 0.278 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.011 1.283 0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.819 1.979 0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.311 3.265 1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.126 3.963 1.854 1.00 0.00 H new ATOM 0 HH TYR A 64 4.291 5.225 2.595 1.00 0.00 H new ATOM 1105 N GLN A 65 5.238 -1.461 -0.308 1.00 0.00 N ATOM 1106 CA GLN A 65 6.644 -1.467 -0.024 1.00 0.00 C ATOM 1107 C GLN A 65 7.271 -0.270 -0.708 1.00 0.00 C ATOM 1108 O GLN A 65 6.866 0.104 -1.826 1.00 0.00 O ATOM 1109 CB GLN A 65 7.314 -2.761 -0.494 1.00 0.00 C ATOM 1110 CG GLN A 65 7.275 -2.974 -2.001 1.00 0.00 C ATOM 1111 CD GLN A 65 7.941 -4.254 -2.447 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.557 -4.839 -3.462 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.934 -4.700 -1.718 1.00 0.00 N ATOM 0 H GLN A 65 5.002 -1.647 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 65 6.789 -1.410 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.353 -2.758 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.828 -3.606 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.237 -2.980 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.761 -2.131 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.224 -4.189 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.417 -5.558 -1.984 1.00 0.00 H new ATOM 1122 N VAL A 66 8.190 0.354 -0.060 1.00 0.00 N ATOM 1123 CA VAL A 66 8.870 1.467 -0.649 1.00 0.00 C ATOM 1124 C VAL A 66 10.149 0.977 -1.271 1.00 0.00 C ATOM 1125 O VAL A 66 11.063 0.551 -0.573 1.00 0.00 O ATOM 1126 CB VAL A 66 9.179 2.579 0.393 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.967 3.723 -0.234 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.895 3.109 0.992 1.00 0.00 C ATOM 0 H VAL A 66 8.494 0.116 0.884 1.00 0.00 H new ATOM 0 HA VAL A 66 8.220 1.907 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 66 9.788 2.136 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.167 4.484 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.911 3.343 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.388 4.161 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.127 3.887 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.270 3.526 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.362 2.297 1.486 1.00 0.00 H new ATOM 1138 N ILE A 67 10.208 1.011 -2.573 1.00 0.00 N ATOM 1139 CA ILE A 67 11.392 0.613 -3.248 1.00 0.00 C ATOM 1140 C ILE A 67 12.147 1.875 -3.566 1.00 0.00 C ATOM 1141 O ILE A 67 11.876 2.553 -4.573 1.00 0.00 O ATOM 1142 CB ILE A 67 11.096 -0.164 -4.552 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.089 -1.295 -4.281 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.396 -0.743 -5.108 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.649 -2.047 -5.524 1.00 0.00 C ATOM 0 H ILE A 67 9.445 1.312 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 67 11.966 -0.063 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 67 10.663 0.519 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.533 -2.002 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.209 -0.874 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.187 -1.291 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.094 0.067 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.836 -1.419 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.940 -2.827 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.173 -1.355 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.518 -2.500 -6.002 1.00 0.00 H new ATOM 1157 N ASP A 68 13.062 2.204 -2.710 1.00 0.00 N ATOM 1158 CA ASP A 68 13.812 3.438 -2.807 1.00 0.00 C ATOM 1159 C ASP A 68 14.797 3.370 -3.961 1.00 0.00 C ATOM 1160 O ASP A 68 15.095 4.387 -4.592 1.00 0.00 O ATOM 1161 CB ASP A 68 14.503 3.758 -1.474 1.00 0.00 C ATOM 1162 CG ASP A 68 15.158 5.119 -1.454 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.447 6.135 -1.364 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.397 5.200 -1.494 1.00 0.00 O ATOM 0 H ASP A 68 13.320 1.624 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 68 13.123 4.256 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.769 3.703 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.256 2.997 -1.271 1.00 0.00 H new ATOM 1169 N GLU A 69 15.258 2.147 -4.266 1.00 0.00 N ATOM 1170 CA GLU A 69 16.149 1.901 -5.409 1.00 0.00 C ATOM 1171 C GLU A 69 15.487 2.324 -6.716 1.00 0.00 C ATOM 1172 O GLU A 69 16.112 2.922 -7.580 1.00 0.00 O ATOM 1173 CB GLU A 69 16.490 0.411 -5.544 1.00 0.00 C ATOM 1174 CG GLU A 69 17.358 -0.194 -4.457 1.00 0.00 C ATOM 1175 CD GLU A 69 17.650 -1.651 -4.749 1.00 0.00 C ATOM 1176 OE1 GLU A 69 18.376 -1.935 -5.730 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.120 -2.538 -4.057 1.00 0.00 O ATOM 0 H GLU A 69 15.026 1.309 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 69 17.052 2.482 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.556 -0.149 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.991 0.263 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.293 0.361 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.856 -0.105 -3.493 1.00 0.00 H new ATOM 1184 N LYS A 70 14.210 2.036 -6.837 1.00 0.00 N ATOM 1185 CA LYS A 70 13.501 2.302 -8.072 1.00 0.00 C ATOM 1186 C LYS A 70 12.724 3.608 -7.994 1.00 0.00 C ATOM 1187 O LYS A 70 12.198 4.090 -9.009 1.00 0.00 O ATOM 1188 CB LYS A 70 12.571 1.131 -8.416 1.00 0.00 C ATOM 1189 CG LYS A 70 13.291 -0.188 -8.671 1.00 0.00 C ATOM 1190 CD LYS A 70 12.308 -1.315 -8.971 1.00 0.00 C ATOM 1191 CE LYS A 70 13.015 -2.657 -9.164 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.933 -2.661 -10.330 1.00 0.00 N ATOM 0 H LYS A 70 13.642 1.619 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 70 14.237 2.406 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.863 0.993 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.990 1.391 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.979 -0.072 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.891 -0.450 -7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.591 -1.397 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.741 -1.072 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.579 -2.898 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.268 -3.441 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.307 -3.621 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.416 -2.359 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.721 -2.006 -10.154 1.00 0.00 H new ATOM 1206 N VAL A 71 12.702 4.193 -6.788 1.00 0.00 N ATOM 1207 CA VAL A 71 11.998 5.456 -6.498 1.00 0.00 C ATOM 1208 C VAL A 71 10.466 5.243 -6.680 1.00 0.00 C ATOM 1209 O VAL A 71 9.711 6.133 -7.077 1.00 0.00 O ATOM 1210 CB VAL A 71 12.545 6.644 -7.395 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.965 7.995 -6.980 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.072 6.707 -7.340 1.00 0.00 C ATOM 0 H VAL A 71 13.177 3.800 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 71 12.188 5.743 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 71 12.225 6.438 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.369 8.777 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.880 7.970 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.232 8.203 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.425 7.529 -7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.393 6.868 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.488 5.769 -7.707 1.00 0.00 H new ATOM 1222 N VAL A 72 10.002 4.072 -6.308 1.00 0.00 N ATOM 1223 CA VAL A 72 8.604 3.757 -6.469 1.00 0.00 C ATOM 1224 C VAL A 72 8.040 3.110 -5.209 1.00 0.00 C ATOM 1225 O VAL A 72 8.701 2.310 -4.541 1.00 0.00 O ATOM 1226 CB VAL A 72 8.338 2.855 -7.737 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.046 1.521 -7.640 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.846 2.645 -7.993 1.00 0.00 C ATOM 0 H VAL A 72 10.567 3.329 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 72 8.081 4.699 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 72 8.751 3.399 -8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.836 0.932 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.120 1.685 -7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.692 0.984 -6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.713 2.019 -8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.394 2.157 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.366 3.610 -8.157 1.00 0.00 H new ATOM 1238 N VAL A 73 6.862 3.517 -4.875 1.00 0.00 N ATOM 1239 CA VAL A 73 6.104 2.958 -3.814 1.00 0.00 C ATOM 1240 C VAL A 73 5.181 1.934 -4.451 1.00 0.00 C ATOM 1241 O VAL A 73 4.321 2.277 -5.283 1.00 0.00 O ATOM 1242 CB VAL A 73 5.295 4.064 -3.092 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.366 3.479 -2.065 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.236 5.058 -2.431 1.00 0.00 C ATOM 0 H VAL A 73 6.384 4.279 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 73 6.742 2.493 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 73 4.694 4.580 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.813 4.281 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.666 2.800 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.945 2.931 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.654 5.830 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.859 4.540 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.870 5.518 -3.189 1.00 0.00 H new ATOM 1254 N PHE A 74 5.378 0.700 -4.110 1.00 0.00 N ATOM 1255 CA PHE A 74 4.689 -0.371 -4.762 1.00 0.00 C ATOM 1256 C PHE A 74 3.699 -1.020 -3.813 1.00 0.00 C ATOM 1257 O PHE A 74 4.091 -1.630 -2.816 1.00 0.00 O ATOM 1258 CB PHE A 74 5.720 -1.388 -5.258 1.00 0.00 C ATOM 1259 CG PHE A 74 5.183 -2.391 -6.223 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.951 -2.022 -7.527 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.918 -3.693 -5.839 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.463 -2.919 -8.438 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.428 -4.603 -6.753 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.201 -4.214 -8.054 1.00 0.00 C ATOM 0 H PHE A 74 6.019 0.405 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 74 4.125 0.014 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.543 -0.852 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.135 -1.915 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.157 -1.008 -7.837 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.096 -3.999 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.284 -2.611 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.223 -5.619 -6.448 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.818 -4.924 -8.772 1.00 0.00 H new ATOM 1274 N VAL A 75 2.433 -0.866 -4.107 1.00 0.00 N ATOM 1275 CA VAL A 75 1.374 -1.432 -3.296 1.00 0.00 C ATOM 1276 C VAL A 75 1.292 -2.925 -3.542 1.00 0.00 C ATOM 1277 O VAL A 75 1.168 -3.359 -4.682 1.00 0.00 O ATOM 1278 CB VAL A 75 0.007 -0.766 -3.602 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.103 -1.335 -2.718 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.102 0.746 -3.447 1.00 0.00 C ATOM 0 H VAL A 75 2.102 -0.343 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 75 1.607 -1.244 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.250 -0.992 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.047 -0.846 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.194 -2.407 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.860 -1.158 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.867 1.196 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.393 0.989 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.848 1.137 -4.139 1.00 0.00 H new ATOM 1290 N ILE A 76 1.379 -3.701 -2.486 1.00 0.00 N ATOM 1291 CA ILE A 76 1.368 -5.145 -2.607 1.00 0.00 C ATOM 1292 C ILE A 76 -0.033 -5.683 -2.335 1.00 0.00 C ATOM 1293 O ILE A 76 -0.520 -6.581 -3.020 1.00 0.00 O ATOM 1294 CB ILE A 76 2.351 -5.805 -1.599 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.751 -5.181 -1.706 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.433 -7.315 -1.853 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.733 -5.710 -0.679 1.00 0.00 C ATOM 0 H ILE A 76 1.459 -3.357 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 76 1.679 -5.390 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 76 1.972 -5.629 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.147 -5.367 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.667 -4.100 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.124 -7.767 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.445 -7.759 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.788 -7.495 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.699 -5.224 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.360 -5.500 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.847 -6.787 -0.805 1.00 0.00 H new ATOM 1309 N SER A 77 -0.683 -5.135 -1.334 1.00 0.00 N ATOM 1310 CA SER A 77 -1.987 -5.603 -0.928 1.00 0.00 C ATOM 1311 C SER A 77 -2.815 -4.446 -0.380 1.00 0.00 C ATOM 1312 O SER A 77 -2.265 -3.467 0.125 1.00 0.00 O ATOM 1313 CB SER A 77 -1.821 -6.697 0.131 1.00 0.00 C ATOM 1314 OG SER A 77 -1.057 -7.776 -0.384 1.00 0.00 O ATOM 0 H SER A 77 -0.325 -4.356 -0.781 1.00 0.00 H new ATOM 0 HA SER A 77 -2.512 -6.016 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.331 -6.286 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.800 -7.056 0.448 1.00 0.00 H new ATOM 0 HG SER A 77 -0.443 -8.101 0.307 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.115 -4.542 -0.509 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.008 -3.515 -0.039 1.00 0.00 C ATOM 1322 C VAL A 78 -6.340 -4.152 0.382 1.00 0.00 C ATOM 1323 O VAL A 78 -6.723 -5.198 -0.152 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.214 -2.413 -1.136 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.805 -2.980 -2.411 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.048 -1.257 -0.625 1.00 0.00 C ATOM 0 H VAL A 78 -4.584 -5.337 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.570 -3.023 0.830 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.222 -2.029 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.930 -2.180 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.136 -3.740 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.775 -3.428 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.167 -0.516 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.029 -1.623 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.550 -0.799 0.230 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.983 -3.584 1.373 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.260 -4.072 1.806 1.00 0.00 C ATOM 1338 C GLY A 79 -8.431 -3.889 3.276 1.00 0.00 C ATOM 1339 O GLY A 79 -8.306 -2.786 3.784 1.00 0.00 O ATOM 0 H GLY A 79 -6.636 -2.779 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.053 -3.546 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.354 -5.128 1.554 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.707 -4.944 3.964 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.861 -4.897 5.387 1.00 0.00 C ATOM 1345 C LYS A 80 -7.894 -5.862 6.031 1.00 0.00 C ATOM 1346 O LYS A 80 -7.284 -6.676 5.348 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.314 -5.156 5.804 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.273 -4.055 5.350 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.721 -4.333 5.729 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.276 -5.549 5.004 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.691 -5.785 5.340 1.00 0.00 N ATOM 0 H LYS A 80 -8.834 -5.871 3.558 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.623 -3.893 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.641 -6.109 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.364 -5.248 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.964 -3.107 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.202 -3.942 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.790 -4.490 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.331 -3.461 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.176 -5.408 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.688 -6.429 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.035 -6.622 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.783 -5.944 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.256 -4.955 5.067 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.736 -5.759 7.320 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.766 -6.560 8.029 1.00 0.00 C ATOM 1367 C ALA A 81 -7.459 -7.320 9.136 1.00 0.00 C ATOM 1368 O ALA A 81 -6.854 -7.673 10.153 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.679 -5.656 8.586 1.00 0.00 C ATOM 0 H ALA A 81 -8.271 -5.122 7.911 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.304 -7.279 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.945 -6.257 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.189 -5.130 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.123 -4.932 9.269 1.00 0.00 H new ATOM 1426 N VAL A 86 -4.378 -9.009 4.318 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.464 -8.143 3.566 1.00 0.00 C ATOM 1428 C VAL A 86 -2.004 -8.381 3.946 1.00 0.00 C ATOM 1429 O VAL A 86 -1.102 -8.134 3.160 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.803 -6.631 3.689 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -5.135 -6.332 3.034 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.810 -6.176 5.148 1.00 0.00 C ATOM 0 HA VAL A 86 -3.606 -8.424 2.523 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.024 -6.072 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.357 -5.269 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.090 -6.600 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.919 -6.911 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.051 -5.114 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.558 -6.743 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.827 -6.346 5.587 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.779 -8.887 5.140 1.00 0.00 N ATOM 1443 CA TYR A 87 -0.433 -9.162 5.576 1.00 0.00 C ATOM 1444 C TYR A 87 -0.016 -10.496 5.033 1.00 0.00 C ATOM 1445 O TYR A 87 1.091 -10.646 4.536 1.00 0.00 O ATOM 1446 CB TYR A 87 -0.310 -9.139 7.102 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.693 -7.816 7.722 1.00 0.00 C ATOM 1448 CD1 TYR A 87 0.022 -6.663 7.434 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -1.764 -7.720 8.596 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -0.321 -5.453 7.997 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -2.112 -6.515 9.164 1.00 0.00 C ATOM 1452 CZ TYR A 87 -1.390 -5.386 8.860 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.736 -4.183 9.425 1.00 0.00 O ATOM 0 H TYR A 87 -2.506 -9.114 5.819 1.00 0.00 H new ATOM 0 HA TYR A 87 0.225 -8.380 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.942 -9.923 7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.717 -9.376 7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.862 -6.714 6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.335 -8.605 8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.245 -4.564 7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.948 -6.457 9.845 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.513 -4.307 10.009 1.00 0.00 H new ATOM 1463 N SER A 88 -0.943 -11.447 5.084 1.00 0.00 N ATOM 1464 CA SER A 88 -0.727 -12.789 4.590 1.00 0.00 C ATOM 1465 C SER A 88 -0.365 -12.770 3.103 1.00 0.00 C ATOM 1466 O SER A 88 0.556 -13.470 2.663 1.00 0.00 O ATOM 1467 CB SER A 88 -2.000 -13.600 4.789 1.00 0.00 C ATOM 1468 OG SER A 88 -2.424 -13.556 6.146 1.00 0.00 O ATOM 0 H SER A 88 -1.873 -11.299 5.475 1.00 0.00 H new ATOM 0 HA SER A 88 0.099 -13.239 5.141 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.788 -13.210 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.827 -14.634 4.491 1.00 0.00 H new ATOM 0 HG SER A 88 -3.244 -14.082 6.250 1.00 0.00 H new ATOM 1474 N GLU A 89 -1.084 -11.962 2.346 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.871 -11.856 0.923 1.00 0.00 C ATOM 1476 C GLU A 89 0.528 -11.289 0.646 1.00 0.00 C ATOM 1477 O GLU A 89 1.319 -11.873 -0.112 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.946 -10.952 0.314 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.997 -10.989 -1.197 1.00 0.00 C ATOM 1480 CD GLU A 89 -2.365 -12.353 -1.703 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -3.574 -12.648 -1.822 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -1.473 -13.156 -1.978 1.00 0.00 O ATOM 0 H GLU A 89 -1.829 -11.364 2.703 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.940 -12.844 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.919 -11.246 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.769 -9.926 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.723 -10.259 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.027 -10.699 -1.602 1.00 0.00 H new ATOM 1489 N ALA A 90 0.838 -10.189 1.313 1.00 0.00 N ATOM 1490 CA ALA A 90 2.101 -9.499 1.145 1.00 0.00 C ATOM 1491 C ALA A 90 3.293 -10.366 1.549 1.00 0.00 C ATOM 1492 O ALA A 90 4.230 -10.553 0.762 1.00 0.00 O ATOM 1493 CB ALA A 90 2.099 -8.193 1.928 1.00 0.00 C ATOM 0 H ALA A 90 0.214 -9.749 1.990 1.00 0.00 H new ATOM 0 HA ALA A 90 2.211 -9.278 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.054 -7.686 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.294 -7.553 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.947 -8.404 2.987 1.00 0.00 H new