USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 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 -153:sc= -0.0297 (180deg=-0.286) USER MOD Set 1.2: A 50 CYS SG : rot -4:sc= -1.02 USER MOD Set 2.1: A 25 GLN : amide:sc= 0.102 X(o=0.1,f=-0.35) USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot -169:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.2) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.11) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0122) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.798 (180deg=0.599) USER MOD Single : A 36 SER OG : rot 180:sc= -0.046 USER MOD Single : A 42 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.39) USER MOD Single : A 43 LYS NZ :NH3+ -140:sc= -0.932 (180deg=-2.9!) USER MOD Single : A 51 TYR OH : rot -72:sc= 0.198 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0253) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00447) USER MOD Single : A 58 SER OG : rot -160:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.208 F(o=-1.1!,f=-0.21) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0715 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.621 13.100 -4.641 1.00 0.00 N ATOM 19 CA ALA A 2 8.338 12.457 -4.697 1.00 0.00 C ATOM 20 C ALA A 2 8.529 11.120 -5.361 1.00 0.00 C ATOM 21 O ALA A 2 9.226 11.025 -6.376 1.00 0.00 O ATOM 22 CB ALA A 2 7.339 13.307 -5.472 1.00 0.00 C ATOM 0 HA ALA A 2 7.936 12.328 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.375 12.799 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.226 14.274 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.701 13.457 -6.489 1.00 0.00 H new ATOM 28 N TYR A 3 7.967 10.104 -4.793 1.00 0.00 N ATOM 29 CA TYR A 3 8.132 8.763 -5.317 1.00 0.00 C ATOM 30 C TYR A 3 7.038 8.441 -6.300 1.00 0.00 C ATOM 31 O TYR A 3 6.016 9.129 -6.353 1.00 0.00 O ATOM 32 CB TYR A 3 8.124 7.721 -4.190 1.00 0.00 C ATOM 33 CG TYR A 3 9.329 7.734 -3.266 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.758 8.900 -2.650 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.030 6.560 -3.004 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.840 8.901 -1.807 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.112 6.555 -2.152 1.00 0.00 C ATOM 38 CZ TYR A 3 11.510 7.732 -1.557 1.00 0.00 C ATOM 39 OH TYR A 3 12.572 7.739 -0.698 1.00 0.00 O ATOM 0 H TYR A 3 7.383 10.165 -3.959 1.00 0.00 H new ATOM 0 HA TYR A 3 9.097 8.726 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.228 7.872 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.045 6.730 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.231 9.824 -2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.721 5.639 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.163 9.820 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.644 5.636 -1.952 1.00 0.00 H new ATOM 0 HH TYR A 3 13.047 6.884 -0.758 1.00 0.00 H new ATOM 49 N PHE A 4 7.265 7.427 -7.083 1.00 0.00 N ATOM 50 CA PHE A 4 6.280 6.931 -8.009 1.00 0.00 C ATOM 51 C PHE A 4 5.360 5.988 -7.261 1.00 0.00 C ATOM 52 O PHE A 4 5.753 5.435 -6.248 1.00 0.00 O ATOM 53 CB PHE A 4 6.964 6.188 -9.167 1.00 0.00 C ATOM 54 CG PHE A 4 7.820 7.056 -10.047 1.00 0.00 C ATOM 55 CD1 PHE A 4 9.162 7.257 -9.762 1.00 0.00 C ATOM 56 CD2 PHE A 4 7.280 7.667 -11.161 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.946 8.050 -10.575 1.00 0.00 C ATOM 58 CE2 PHE A 4 8.057 8.460 -11.977 1.00 0.00 C ATOM 59 CZ PHE A 4 9.392 8.654 -11.685 1.00 0.00 C ATOM 0 H PHE A 4 8.146 6.914 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 4 5.711 7.761 -8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.581 5.390 -8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.198 5.714 -9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.599 6.787 -8.893 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.236 7.522 -11.396 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.990 8.197 -10.343 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.621 8.930 -12.846 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.001 9.277 -12.323 1.00 0.00 H new ATOM 69 N LEU A 5 4.163 5.819 -7.724 1.00 0.00 N ATOM 70 CA LEU A 5 3.239 4.908 -7.075 1.00 0.00 C ATOM 71 C LEU A 5 2.888 3.810 -8.075 1.00 0.00 C ATOM 72 O LEU A 5 2.440 4.104 -9.187 1.00 0.00 O ATOM 73 CB LEU A 5 1.968 5.679 -6.613 1.00 0.00 C ATOM 74 CG LEU A 5 1.061 5.035 -5.514 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.475 3.701 -5.923 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.804 4.899 -4.199 1.00 0.00 C ATOM 0 H LEU A 5 3.791 6.293 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 5 3.690 4.464 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.287 6.655 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.349 5.854 -7.493 1.00 0.00 H new ATOM 0 HG LEU A 5 0.224 5.721 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.143 3.312 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.136 3.831 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.281 2.999 -6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.147 4.448 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.681 4.267 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.119 5.884 -3.855 1.00 0.00 H new ATOM 88 N ASP A 6 3.109 2.576 -7.694 1.00 0.00 N ATOM 89 CA ASP A 6 2.820 1.435 -8.547 1.00 0.00 C ATOM 90 C ASP A 6 2.016 0.412 -7.755 1.00 0.00 C ATOM 91 O ASP A 6 2.003 0.449 -6.522 1.00 0.00 O ATOM 92 CB ASP A 6 4.130 0.821 -9.073 1.00 0.00 C ATOM 93 CG ASP A 6 3.931 -0.298 -10.075 1.00 0.00 C ATOM 94 OD1 ASP A 6 3.011 -0.209 -10.921 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.707 -1.274 -10.058 1.00 0.00 O ATOM 0 H ASP A 6 3.495 2.327 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 6 2.233 1.756 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.727 1.607 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.705 0.440 -8.229 1.00 0.00 H new ATOM 100 N PHE A 7 1.349 -0.475 -8.441 1.00 0.00 N ATOM 101 CA PHE A 7 0.508 -1.479 -7.812 1.00 0.00 C ATOM 102 C PHE A 7 0.814 -2.827 -8.401 1.00 0.00 C ATOM 103 O PHE A 7 1.108 -2.931 -9.600 1.00 0.00 O ATOM 104 CB PHE A 7 -0.988 -1.229 -8.093 1.00 0.00 C ATOM 105 CG PHE A 7 -1.597 0.047 -7.592 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.180 0.103 -6.338 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.638 1.173 -8.396 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.782 1.262 -5.888 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.244 2.329 -7.956 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.815 2.377 -6.699 1.00 0.00 C ATOM 0 H PHE A 7 1.368 -0.529 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 7 0.707 -1.432 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.136 -1.268 -9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.551 -2.058 -7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.164 -0.771 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.190 1.145 -9.378 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.226 1.295 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.273 3.199 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.286 3.285 -6.352 1.00 0.00 H new ATOM 120 N ASP A 8 0.752 -3.851 -7.592 1.00 0.00 N ATOM 121 CA ASP A 8 0.804 -5.205 -8.111 1.00 0.00 C ATOM 122 C ASP A 8 -0.588 -5.516 -8.633 1.00 0.00 C ATOM 123 O ASP A 8 -1.568 -4.904 -8.173 1.00 0.00 O ATOM 124 CB ASP A 8 1.176 -6.227 -7.015 1.00 0.00 C ATOM 125 CG ASP A 8 1.335 -7.645 -7.565 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.335 -8.331 -7.760 1.00 0.00 O ATOM 127 OD2 ASP A 8 2.474 -8.088 -7.826 1.00 0.00 O ATOM 0 H ASP A 8 0.666 -3.782 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 8 1.566 -5.276 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.106 -5.920 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.406 -6.224 -6.244 1.00 0.00 H new ATOM 132 N GLU A 9 -0.697 -6.419 -9.579 1.00 0.00 N ATOM 133 CA GLU A 9 -1.983 -6.802 -10.122 1.00 0.00 C ATOM 134 C GLU A 9 -2.925 -7.346 -9.028 1.00 0.00 C ATOM 135 O GLU A 9 -4.142 -7.154 -9.105 1.00 0.00 O ATOM 136 CB GLU A 9 -1.809 -7.763 -11.311 1.00 0.00 C ATOM 137 CG GLU A 9 -1.055 -9.054 -11.014 1.00 0.00 C ATOM 138 CD GLU A 9 -1.957 -10.252 -10.893 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.454 -10.549 -9.803 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.200 -10.925 -11.910 1.00 0.00 O ATOM 0 H GLU A 9 0.097 -6.907 -9.993 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.473 -5.910 -10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.797 -8.021 -11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.287 -7.234 -12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.328 -9.233 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.494 -8.935 -10.087 1.00 0.00 H new ATOM 147 N ARG A 10 -2.349 -7.955 -7.980 1.00 0.00 N ATOM 148 CA ARG A 10 -3.122 -8.434 -6.835 1.00 0.00 C ATOM 149 C ARG A 10 -3.764 -7.269 -6.137 1.00 0.00 C ATOM 150 O ARG A 10 -4.959 -7.299 -5.832 1.00 0.00 O ATOM 151 CB ARG A 10 -2.244 -9.209 -5.843 1.00 0.00 C ATOM 152 CG ARG A 10 -1.641 -10.448 -6.434 1.00 0.00 C ATOM 153 CD ARG A 10 -2.689 -11.493 -6.745 1.00 0.00 C ATOM 154 NE ARG A 10 -2.261 -12.333 -7.853 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.069 -13.647 -7.815 1.00 0.00 C ATOM 156 NH1 ARG A 10 -2.266 -14.333 -6.700 1.00 0.00 N ATOM 157 NH2 ARG A 10 -1.685 -14.276 -8.905 1.00 0.00 N ATOM 0 H ARG A 10 -1.346 -8.126 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.888 -9.114 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.446 -8.557 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.843 -9.482 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.104 -10.190 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.910 -10.863 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.870 -12.108 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.633 -11.007 -6.993 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.092 -11.868 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.570 -13.853 -5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.114 -15.342 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.537 -13.755 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.535 -15.285 -8.886 1.00 0.00 H new ATOM 171 N ALA A 11 -2.985 -6.227 -5.943 1.00 0.00 N ATOM 172 CA ALA A 11 -3.444 -5.027 -5.298 1.00 0.00 C ATOM 173 C ALA A 11 -4.520 -4.359 -6.130 1.00 0.00 C ATOM 174 O ALA A 11 -5.497 -3.897 -5.592 1.00 0.00 O ATOM 175 CB ALA A 11 -2.291 -4.073 -5.048 1.00 0.00 C ATOM 0 H ALA A 11 -2.008 -6.194 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.872 -5.299 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.663 -3.173 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.552 -4.555 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.828 -3.805 -5.998 1.00 0.00 H new ATOM 181 N LEU A 12 -4.351 -4.370 -7.454 1.00 0.00 N ATOM 182 CA LEU A 12 -5.317 -3.768 -8.366 1.00 0.00 C ATOM 183 C LEU A 12 -6.664 -4.454 -8.289 1.00 0.00 C ATOM 184 O LEU A 12 -7.701 -3.799 -8.297 1.00 0.00 O ATOM 185 CB LEU A 12 -4.801 -3.789 -9.797 1.00 0.00 C ATOM 186 CG LEU A 12 -3.683 -2.808 -10.131 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.199 -3.036 -11.547 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.177 -1.372 -9.972 1.00 0.00 C ATOM 0 H LEU A 12 -3.547 -4.793 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.448 -2.732 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.448 -4.796 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.639 -3.591 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.854 -2.973 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.400 -2.331 -11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.822 -4.054 -11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.025 -2.887 -12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.370 -0.681 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.016 -1.199 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.498 -1.210 -8.943 1.00 0.00 H new ATOM 200 N LYS A 13 -6.640 -5.764 -8.199 1.00 0.00 N ATOM 201 CA LYS A 13 -7.853 -6.551 -8.091 1.00 0.00 C ATOM 202 C LYS A 13 -8.596 -6.201 -6.811 1.00 0.00 C ATOM 203 O LYS A 13 -9.805 -6.003 -6.824 1.00 0.00 O ATOM 204 CB LYS A 13 -7.503 -8.025 -8.109 1.00 0.00 C ATOM 205 CG LYS A 13 -6.929 -8.494 -9.425 1.00 0.00 C ATOM 206 CD LYS A 13 -6.200 -9.802 -9.259 1.00 0.00 C ATOM 207 CE LYS A 13 -5.698 -10.325 -10.591 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.865 -11.534 -10.436 1.00 0.00 N ATOM 0 H LYS A 13 -5.782 -6.316 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.502 -6.327 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.784 -8.229 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.398 -8.605 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.730 -8.610 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.247 -7.740 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.359 -9.669 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.865 -10.536 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.548 -10.551 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.119 -9.548 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.586 -11.886 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.014 -11.301 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.408 -12.268 -9.938 1.00 0.00 H new ATOM 222 N GLU A 14 -7.857 -6.083 -5.718 1.00 0.00 N ATOM 223 CA GLU A 14 -8.438 -5.731 -4.439 1.00 0.00 C ATOM 224 C GLU A 14 -8.923 -4.276 -4.458 1.00 0.00 C ATOM 225 O GLU A 14 -9.977 -3.962 -3.943 1.00 0.00 O ATOM 226 CB GLU A 14 -7.409 -5.925 -3.336 1.00 0.00 C ATOM 227 CG GLU A 14 -6.800 -7.317 -3.289 1.00 0.00 C ATOM 228 CD GLU A 14 -7.817 -8.409 -3.101 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.576 -8.383 -2.121 1.00 0.00 O ATOM 230 OE2 GLU A 14 -7.896 -9.308 -3.943 1.00 0.00 O ATOM 0 H GLU A 14 -6.848 -6.228 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.293 -6.380 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.610 -5.195 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.879 -5.714 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.252 -7.497 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.076 -7.361 -2.475 1.00 0.00 H new ATOM 237 N TRP A 15 -8.142 -3.428 -5.086 1.00 0.00 N ATOM 238 CA TRP A 15 -8.410 -2.000 -5.222 1.00 0.00 C ATOM 239 C TRP A 15 -9.712 -1.755 -5.984 1.00 0.00 C ATOM 240 O TRP A 15 -10.541 -0.956 -5.570 1.00 0.00 O ATOM 241 CB TRP A 15 -7.222 -1.361 -5.957 1.00 0.00 C ATOM 242 CG TRP A 15 -7.301 0.111 -6.171 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.721 0.751 -7.297 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.924 1.127 -5.247 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.633 2.102 -7.123 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.146 2.361 -5.876 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.421 1.111 -3.945 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.883 3.568 -5.251 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.161 2.312 -3.326 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.389 3.522 -3.977 1.00 0.00 C ATOM 0 H TRP A 15 -7.272 -3.715 -5.534 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.527 -1.551 -4.236 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.314 -1.578 -5.395 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.119 -1.844 -6.929 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.072 0.263 -8.194 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.890 2.805 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.240 0.177 -3.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.061 4.509 -5.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.773 2.317 -2.318 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.170 4.446 -3.463 1.00 0.00 H new ATOM 261 N ARG A 16 -9.883 -2.450 -7.090 1.00 0.00 N ATOM 262 CA ARG A 16 -11.086 -2.310 -7.900 1.00 0.00 C ATOM 263 C ARG A 16 -12.276 -2.972 -7.210 1.00 0.00 C ATOM 264 O ARG A 16 -13.426 -2.574 -7.404 1.00 0.00 O ATOM 265 CB ARG A 16 -10.875 -2.890 -9.295 1.00 0.00 C ATOM 266 CG ARG A 16 -9.824 -2.169 -10.122 1.00 0.00 C ATOM 267 CD ARG A 16 -9.643 -2.830 -11.479 1.00 0.00 C ATOM 268 NE ARG A 16 -10.895 -2.839 -12.252 1.00 0.00 N ATOM 269 CZ ARG A 16 -11.089 -3.456 -13.426 1.00 0.00 C ATOM 270 NH1 ARG A 16 -10.095 -4.117 -14.012 1.00 0.00 N ATOM 271 NH2 ARG A 16 -12.287 -3.405 -14.004 1.00 0.00 N ATOM 0 H ARG A 16 -9.205 -3.120 -7.453 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.301 -1.247 -8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.589 -3.938 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.823 -2.865 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.116 -1.128 -10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.875 -2.167 -9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.872 -2.302 -12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.293 -3.853 -11.342 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.687 -2.330 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.178 -4.157 -13.568 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.250 -4.584 -14.905 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.049 -2.899 -13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.443 -3.872 -14.897 1.00 0.00 H new ATOM 285 N LYS A 17 -11.979 -3.990 -6.416 1.00 0.00 N ATOM 286 CA LYS A 17 -12.973 -4.691 -5.604 1.00 0.00 C ATOM 287 C LYS A 17 -13.510 -3.744 -4.530 1.00 0.00 C ATOM 288 O LYS A 17 -14.707 -3.762 -4.194 1.00 0.00 O ATOM 289 CB LYS A 17 -12.307 -5.884 -4.925 1.00 0.00 C ATOM 290 CG LYS A 17 -13.214 -6.724 -4.047 1.00 0.00 C ATOM 291 CD LYS A 17 -12.407 -7.693 -3.188 1.00 0.00 C ATOM 292 CE LYS A 17 -11.553 -8.626 -4.023 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.779 -9.561 -3.184 1.00 0.00 N ATOM 0 H LYS A 17 -11.034 -4.359 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.792 -5.030 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.879 -6.526 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.479 -5.519 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.808 -6.073 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.913 -7.282 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.768 -7.128 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.086 -8.281 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.191 -9.191 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.870 -8.040 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.170 -10.148 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.189 -9.023 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.431 -10.173 -2.653 1.00 0.00 H new ATOM 307 N LEU A 18 -12.607 -2.945 -3.990 1.00 0.00 N ATOM 308 CA LEU A 18 -12.911 -1.956 -2.975 1.00 0.00 C ATOM 309 C LEU A 18 -13.963 -0.972 -3.450 1.00 0.00 C ATOM 310 O LEU A 18 -14.120 -0.726 -4.657 1.00 0.00 O ATOM 311 CB LEU A 18 -11.646 -1.188 -2.570 1.00 0.00 C ATOM 312 CG LEU A 18 -11.045 -1.483 -1.191 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.744 -2.961 -1.004 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.789 -0.664 -1.003 1.00 0.00 C ATOM 0 H LEU A 18 -11.621 -2.967 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.303 -2.494 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.879 -1.385 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.871 -0.122 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.782 -1.208 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.320 -3.123 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.665 -3.535 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.031 -3.286 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.361 -0.874 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.066 -0.923 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.032 0.396 -1.074 1.00 0.00 H new ATOM 326 N GLY A 19 -14.671 -0.412 -2.509 1.00 0.00 N ATOM 327 CA GLY A 19 -15.691 0.543 -2.815 1.00 0.00 C ATOM 328 C GLY A 19 -15.063 1.838 -3.206 1.00 0.00 C ATOM 329 O GLY A 19 -13.985 2.173 -2.688 1.00 0.00 O ATOM 0 H GLY A 19 -14.556 -0.606 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.319 0.172 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.339 0.688 -1.950 1.00 0.00 H new ATOM 333 N SER A 20 -15.707 2.564 -4.099 1.00 0.00 N ATOM 334 CA SER A 20 -15.191 3.809 -4.629 1.00 0.00 C ATOM 335 C SER A 20 -14.735 4.774 -3.534 1.00 0.00 C ATOM 336 O SER A 20 -13.611 5.227 -3.562 1.00 0.00 O ATOM 337 CB SER A 20 -16.227 4.458 -5.544 1.00 0.00 C ATOM 338 OG SER A 20 -16.542 3.597 -6.640 1.00 0.00 O ATOM 0 H SER A 20 -16.615 2.301 -4.481 1.00 0.00 H new ATOM 0 HA SER A 20 -14.301 3.572 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.132 4.680 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.845 5.407 -5.919 1.00 0.00 H new ATOM 0 HG SER A 20 -17.208 4.029 -7.214 1.00 0.00 H new ATOM 344 N THR A 21 -15.561 4.976 -2.525 1.00 0.00 N ATOM 345 CA THR A 21 -15.261 5.929 -1.476 1.00 0.00 C ATOM 346 C THR A 21 -14.059 5.465 -0.639 1.00 0.00 C ATOM 347 O THR A 21 -13.208 6.273 -0.257 1.00 0.00 O ATOM 348 CB THR A 21 -16.489 6.128 -0.565 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.638 6.392 -1.390 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.287 7.304 0.387 1.00 0.00 C ATOM 0 H THR A 21 -16.450 4.489 -2.410 1.00 0.00 H new ATOM 0 HA THR A 21 -15.008 6.879 -1.947 1.00 0.00 H new ATOM 0 HB THR A 21 -16.632 5.224 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.426 6.519 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.170 7.419 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.416 7.118 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.131 8.216 -0.189 1.00 0.00 H new ATOM 358 N VAL A 22 -13.962 4.165 -0.415 1.00 0.00 N ATOM 359 CA VAL A 22 -12.894 3.618 0.405 1.00 0.00 C ATOM 360 C VAL A 22 -11.557 3.761 -0.315 1.00 0.00 C ATOM 361 O VAL A 22 -10.589 4.295 0.244 1.00 0.00 O ATOM 362 CB VAL A 22 -13.168 2.124 0.732 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.027 1.512 1.525 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.481 1.976 1.490 1.00 0.00 C ATOM 0 H VAL A 22 -14.608 3.470 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.855 4.175 1.341 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.245 1.586 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.251 0.467 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.106 1.576 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.904 2.054 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.657 0.923 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.428 2.538 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.299 2.360 0.880 1.00 0.00 H new ATOM 374 N ARG A 23 -11.526 3.363 -1.566 1.00 0.00 N ATOM 375 CA ARG A 23 -10.318 3.476 -2.350 1.00 0.00 C ATOM 376 C ARG A 23 -9.957 4.920 -2.655 1.00 0.00 C ATOM 377 O ARG A 23 -8.797 5.259 -2.708 1.00 0.00 O ATOM 378 CB ARG A 23 -10.331 2.619 -3.600 1.00 0.00 C ATOM 379 CG ARG A 23 -11.545 2.780 -4.460 1.00 0.00 C ATOM 380 CD ARG A 23 -11.297 2.210 -5.814 1.00 0.00 C ATOM 381 NE ARG A 23 -12.544 2.066 -6.577 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.633 1.973 -7.908 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.559 2.171 -8.673 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.803 1.706 -8.476 1.00 0.00 N ATOM 0 H ARG A 23 -12.321 2.959 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.525 3.075 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.448 2.855 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.247 1.573 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.396 2.280 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.803 3.836 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.608 2.854 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.815 1.237 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.415 2.034 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.661 2.395 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.635 2.098 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.632 1.572 -7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.873 1.635 -9.491 1.00 0.00 H new ATOM 398 N GLU A 24 -10.957 5.758 -2.865 1.00 0.00 N ATOM 399 CA GLU A 24 -10.738 7.181 -3.093 1.00 0.00 C ATOM 400 C GLU A 24 -9.997 7.835 -1.948 1.00 0.00 C ATOM 401 O GLU A 24 -9.082 8.609 -2.163 1.00 0.00 O ATOM 402 CB GLU A 24 -12.044 7.895 -3.366 1.00 0.00 C ATOM 403 CG GLU A 24 -12.482 7.813 -4.816 1.00 0.00 C ATOM 404 CD GLU A 24 -13.861 8.357 -5.038 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.069 9.574 -4.860 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.773 7.573 -5.366 1.00 0.00 O ATOM 0 H GLU A 24 -11.937 5.477 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.107 7.268 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.823 7.468 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.943 8.943 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.775 8.364 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.450 6.774 -5.142 1.00 0.00 H new ATOM 413 N GLN A 25 -10.357 7.500 -0.741 1.00 0.00 N ATOM 414 CA GLN A 25 -9.688 8.052 0.405 1.00 0.00 C ATOM 415 C GLN A 25 -8.268 7.477 0.518 1.00 0.00 C ATOM 416 O GLN A 25 -7.317 8.182 0.903 1.00 0.00 O ATOM 417 CB GLN A 25 -10.507 7.796 1.644 1.00 0.00 C ATOM 418 CG GLN A 25 -11.833 8.519 1.657 1.00 0.00 C ATOM 419 CD GLN A 25 -12.727 8.010 2.749 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.719 8.506 3.878 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.493 7.019 2.420 1.00 0.00 N ATOM 0 H GLN A 25 -11.110 6.847 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.590 9.132 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.687 6.725 1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.930 8.098 2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.665 9.587 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.326 8.393 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.463 6.644 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.127 6.614 3.109 1.00 0.00 H new ATOM 430 N LEU A 26 -8.128 6.213 0.144 1.00 0.00 N ATOM 431 CA LEU A 26 -6.835 5.540 0.141 1.00 0.00 C ATOM 432 C LEU A 26 -5.890 6.124 -0.906 1.00 0.00 C ATOM 433 O LEU A 26 -4.708 6.309 -0.628 1.00 0.00 O ATOM 434 CB LEU A 26 -6.987 4.027 -0.062 1.00 0.00 C ATOM 435 CG LEU A 26 -7.587 3.229 1.107 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.787 1.788 0.699 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.671 3.291 2.326 1.00 0.00 C ATOM 0 H LEU A 26 -8.903 5.627 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.393 5.711 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.610 3.863 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.004 3.614 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.549 3.671 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.212 1.229 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.466 1.742 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.827 1.352 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.113 2.720 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.699 2.868 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.546 4.329 2.635 1.00 0.00 H new ATOM 449 N LYS A 27 -6.401 6.419 -2.107 1.00 0.00 N ATOM 450 CA LYS A 27 -5.559 7.001 -3.151 1.00 0.00 C ATOM 451 C LYS A 27 -5.040 8.362 -2.731 1.00 0.00 C ATOM 452 O LYS A 27 -3.917 8.720 -3.040 1.00 0.00 O ATOM 453 CB LYS A 27 -6.277 7.120 -4.487 1.00 0.00 C ATOM 454 CG LYS A 27 -7.306 8.229 -4.571 1.00 0.00 C ATOM 455 CD LYS A 27 -7.717 8.517 -5.993 1.00 0.00 C ATOM 456 CE LYS A 27 -6.558 9.129 -6.773 1.00 0.00 C ATOM 457 NZ LYS A 27 -6.917 9.381 -8.179 1.00 0.00 N ATOM 0 H LYS A 27 -7.374 6.267 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.722 6.315 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.533 7.277 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.770 6.172 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.185 7.952 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.899 9.135 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.042 7.596 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.568 9.198 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.257 10.064 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.699 8.460 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.104 9.797 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.180 8.485 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.721 10.040 -8.219 1.00 0.00 H new ATOM 471 N LYS A 28 -5.878 9.109 -2.031 1.00 0.00 N ATOM 472 CA LYS A 28 -5.490 10.427 -1.502 1.00 0.00 C ATOM 473 C LYS A 28 -4.306 10.260 -0.571 1.00 0.00 C ATOM 474 O LYS A 28 -3.364 11.056 -0.584 1.00 0.00 O ATOM 475 CB LYS A 28 -6.639 11.085 -0.745 1.00 0.00 C ATOM 476 CG LYS A 28 -7.879 11.323 -1.562 1.00 0.00 C ATOM 477 CD LYS A 28 -8.981 11.914 -0.706 1.00 0.00 C ATOM 478 CE LYS A 28 -10.304 11.930 -1.443 1.00 0.00 C ATOM 479 NZ LYS A 28 -10.263 12.762 -2.663 1.00 0.00 N ATOM 0 H LYS A 28 -6.835 8.834 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.226 11.069 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.898 10.459 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.294 12.040 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.652 11.997 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.217 10.384 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.081 11.335 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.713 12.929 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.578 10.910 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.082 12.305 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.205 12.781 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.978 13.731 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.576 12.361 -3.334 1.00 0.00 H new ATOM 493 N LYS A 29 -4.348 9.183 0.200 1.00 0.00 N ATOM 494 CA LYS A 29 -3.274 8.840 1.103 1.00 0.00 C ATOM 495 C LYS A 29 -2.003 8.508 0.358 1.00 0.00 C ATOM 496 O LYS A 29 -0.916 8.852 0.805 1.00 0.00 O ATOM 497 CB LYS A 29 -3.674 7.727 2.081 1.00 0.00 C ATOM 498 CG LYS A 29 -4.713 8.149 3.108 1.00 0.00 C ATOM 499 CD LYS A 29 -4.158 9.283 3.928 1.00 0.00 C ATOM 500 CE LYS A 29 -5.114 9.810 4.955 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.548 11.011 5.600 1.00 0.00 N ATOM 0 H LYS A 29 -5.129 8.527 0.213 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.071 9.726 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.062 6.881 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.783 7.379 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.631 8.459 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.969 7.308 3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.250 8.947 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.872 10.096 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.067 10.054 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.314 9.044 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.294 11.505 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.789 10.729 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.161 11.646 4.873 1.00 0.00 H new ATOM 515 N LEU A 30 -2.146 7.873 -0.779 1.00 0.00 N ATOM 516 CA LEU A 30 -1.016 7.565 -1.628 1.00 0.00 C ATOM 517 C LEU A 30 -0.382 8.858 -2.116 1.00 0.00 C ATOM 518 O LEU A 30 0.828 9.018 -2.075 1.00 0.00 O ATOM 519 CB LEU A 30 -1.460 6.727 -2.829 1.00 0.00 C ATOM 520 CG LEU A 30 -2.197 5.428 -2.510 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.572 4.702 -3.790 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.355 4.537 -1.608 1.00 0.00 C ATOM 0 H LEU A 30 -3.044 7.555 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.289 6.992 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.106 7.342 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.578 6.484 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.114 5.676 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.096 3.779 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.220 5.338 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.669 4.467 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.900 3.617 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.417 4.295 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.144 5.059 -0.675 1.00 0.00 H new ATOM 534 N VAL A 31 -1.226 9.793 -2.517 1.00 0.00 N ATOM 535 CA VAL A 31 -0.783 11.067 -3.053 1.00 0.00 C ATOM 536 C VAL A 31 -0.015 11.889 -2.005 1.00 0.00 C ATOM 537 O VAL A 31 1.063 12.424 -2.299 1.00 0.00 O ATOM 538 CB VAL A 31 -1.992 11.887 -3.599 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.563 13.255 -4.091 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.686 11.126 -4.715 1.00 0.00 C ATOM 0 H VAL A 31 -2.240 9.689 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.101 10.853 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.691 12.032 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.432 13.797 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.113 13.812 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.835 13.141 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.528 11.711 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.981 10.949 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.048 10.171 -4.334 1.00 0.00 H new ATOM 550 N GLU A 32 -0.536 11.965 -0.789 1.00 0.00 N ATOM 551 CA GLU A 32 0.149 12.692 0.267 1.00 0.00 C ATOM 552 C GLU A 32 1.441 11.980 0.704 1.00 0.00 C ATOM 553 O GLU A 32 2.515 12.606 0.800 1.00 0.00 O ATOM 554 CB GLU A 32 -0.776 12.973 1.467 1.00 0.00 C ATOM 555 CG GLU A 32 -1.434 11.743 2.041 1.00 0.00 C ATOM 556 CD GLU A 32 -2.165 11.989 3.329 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.355 12.350 3.309 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.578 11.767 4.401 1.00 0.00 O ATOM 0 H GLU A 32 -1.420 11.538 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 32 0.436 13.658 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.197 13.461 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.550 13.675 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.134 11.342 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.674 10.980 2.206 1.00 0.00 H new ATOM 565 N VAL A 33 1.355 10.664 0.863 1.00 0.00 N ATOM 566 CA VAL A 33 2.448 9.864 1.385 1.00 0.00 C ATOM 567 C VAL A 33 3.689 9.902 0.481 1.00 0.00 C ATOM 568 O VAL A 33 4.787 9.791 0.958 1.00 0.00 O ATOM 569 CB VAL A 33 2.034 8.407 1.752 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.037 7.456 0.557 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.872 7.888 2.903 1.00 0.00 C ATOM 0 H VAL A 33 0.521 10.124 0.632 1.00 0.00 H new ATOM 0 HA VAL A 33 2.726 10.338 2.326 1.00 0.00 H new ATOM 0 HB VAL A 33 0.995 8.445 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.739 6.460 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.335 7.815 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.038 7.413 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.568 6.869 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.924 7.895 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.727 8.526 3.775 1.00 0.00 H new ATOM 581 N LEU A 34 3.488 10.074 -0.824 1.00 0.00 N ATOM 582 CA LEU A 34 4.574 10.090 -1.822 1.00 0.00 C ATOM 583 C LEU A 34 5.694 11.084 -1.508 1.00 0.00 C ATOM 584 O LEU A 34 6.824 10.897 -1.978 1.00 0.00 O ATOM 585 CB LEU A 34 4.041 10.350 -3.236 1.00 0.00 C ATOM 586 CG LEU A 34 3.208 9.238 -3.869 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.706 9.662 -5.235 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.019 7.957 -3.977 1.00 0.00 C ATOM 0 H LEU A 34 2.562 10.208 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 34 5.009 9.092 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.436 11.256 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.891 10.552 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 34 2.348 9.048 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.114 8.857 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.087 10.554 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.555 9.880 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.408 7.177 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.899 8.134 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.333 7.640 -2.982 1.00 0.00 H new ATOM 600 N GLU A 35 5.404 12.144 -0.754 1.00 0.00 N ATOM 601 CA GLU A 35 6.454 13.096 -0.425 1.00 0.00 C ATOM 602 C GLU A 35 7.406 12.528 0.654 1.00 0.00 C ATOM 603 O GLU A 35 8.583 12.916 0.737 1.00 0.00 O ATOM 604 CB GLU A 35 5.903 14.477 -0.021 1.00 0.00 C ATOM 605 CG GLU A 35 5.112 14.532 1.273 1.00 0.00 C ATOM 606 CD GLU A 35 4.695 15.945 1.609 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.577 16.798 1.831 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.489 16.247 1.617 1.00 0.00 O ATOM 0 H GLU A 35 4.483 12.358 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 35 7.031 13.252 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.741 15.169 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.266 14.841 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.227 13.901 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.714 14.126 2.086 1.00 0.00 H new ATOM 615 N SER A 36 6.906 11.609 1.460 1.00 0.00 N ATOM 616 CA SER A 36 7.687 10.959 2.508 1.00 0.00 C ATOM 617 C SER A 36 7.086 9.575 2.807 1.00 0.00 C ATOM 618 O SER A 36 6.378 9.408 3.778 1.00 0.00 O ATOM 619 CB SER A 36 7.673 11.795 3.796 1.00 0.00 C ATOM 620 OG SER A 36 8.052 13.142 3.552 1.00 0.00 O ATOM 0 H SER A 36 5.939 11.287 1.409 1.00 0.00 H new ATOM 0 HA SER A 36 8.716 10.860 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.675 11.771 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.352 11.352 4.525 1.00 0.00 H new ATOM 0 HG SER A 36 8.031 13.645 4.393 1.00 0.00 H new ATOM 626 N PRO A 37 7.277 8.583 1.928 1.00 0.00 N ATOM 627 CA PRO A 37 6.697 7.255 2.135 1.00 0.00 C ATOM 628 C PRO A 37 7.504 6.384 3.096 1.00 0.00 C ATOM 629 O PRO A 37 7.059 5.324 3.506 1.00 0.00 O ATOM 630 CB PRO A 37 6.688 6.669 0.731 1.00 0.00 C ATOM 631 CG PRO A 37 7.874 7.282 0.078 1.00 0.00 C ATOM 632 CD PRO A 37 7.970 8.682 0.625 1.00 0.00 C ATOM 0 HA PRO A 37 5.713 7.307 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.761 5.582 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.768 6.916 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.778 6.714 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.761 7.293 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.006 8.998 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.489 9.406 -0.033 1.00 0.00 H new ATOM 640 N ARG A 38 8.663 6.866 3.485 1.00 0.00 N ATOM 641 CA ARG A 38 9.558 6.133 4.365 1.00 0.00 C ATOM 642 C ARG A 38 9.289 6.441 5.853 1.00 0.00 C ATOM 643 O ARG A 38 10.184 6.443 6.674 1.00 0.00 O ATOM 644 CB ARG A 38 11.044 6.360 3.931 1.00 0.00 C ATOM 645 CG ARG A 38 11.520 7.824 3.783 1.00 0.00 C ATOM 646 CD ARG A 38 11.787 8.508 5.118 1.00 0.00 C ATOM 647 NE ARG A 38 12.830 7.802 5.897 1.00 0.00 N ATOM 648 CZ ARG A 38 12.938 7.819 7.241 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.096 8.539 7.979 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.889 7.107 7.838 1.00 0.00 N ATOM 0 H ARG A 38 9.016 7.780 3.201 1.00 0.00 H new ATOM 0 HA ARG A 38 9.357 5.067 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.688 5.867 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.198 5.856 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.430 7.844 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.766 8.391 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.098 9.538 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.865 8.548 5.697 1.00 0.00 H new ATOM 0 HE ARG A 38 13.520 7.261 5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.361 9.084 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.186 8.545 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.535 6.549 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.972 7.118 8.855 1.00 0.00 H new ATOM 664 N ILE A 39 8.033 6.576 6.200 1.00 0.00 N ATOM 665 CA ILE A 39 7.657 6.914 7.561 1.00 0.00 C ATOM 666 C ILE A 39 7.675 5.650 8.410 1.00 0.00 C ATOM 667 O ILE A 39 6.815 4.776 8.271 1.00 0.00 O ATOM 668 CB ILE A 39 6.251 7.581 7.613 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.276 8.892 6.827 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.810 7.833 9.055 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.942 9.606 6.740 1.00 0.00 C ATOM 0 H ILE A 39 7.247 6.458 5.560 1.00 0.00 H new ATOM 0 HA ILE A 39 8.375 7.634 7.954 1.00 0.00 H new ATOM 0 HB ILE A 39 5.529 6.901 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.002 9.562 7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.629 8.687 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.825 8.299 9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.765 6.886 9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.526 8.494 9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.058 10.524 6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.215 8.959 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.593 9.848 7.744 1.00 0.00 H new ATOM 683 N GLU A 40 8.664 5.569 9.291 1.00 0.00 N ATOM 684 CA GLU A 40 8.912 4.378 10.098 1.00 0.00 C ATOM 685 C GLU A 40 7.752 4.015 11.018 1.00 0.00 C ATOM 686 O GLU A 40 7.574 2.848 11.359 1.00 0.00 O ATOM 687 CB GLU A 40 10.216 4.486 10.879 1.00 0.00 C ATOM 688 CG GLU A 40 10.296 5.668 11.817 1.00 0.00 C ATOM 689 CD GLU A 40 11.563 5.650 12.606 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.590 6.131 12.104 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.563 5.121 13.731 1.00 0.00 O ATOM 0 H GLU A 40 9.320 6.330 9.468 1.00 0.00 H new ATOM 0 HA GLU A 40 9.007 3.558 9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.354 3.572 11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.043 4.545 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.235 6.594 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.443 5.655 12.495 1.00 0.00 H new ATOM 698 N ALA A 41 6.935 5.000 11.370 1.00 0.00 N ATOM 699 CA ALA A 41 5.766 4.773 12.225 1.00 0.00 C ATOM 700 C ALA A 41 4.690 3.969 11.489 1.00 0.00 C ATOM 701 O ALA A 41 3.699 3.550 12.078 1.00 0.00 O ATOM 702 CB ALA A 41 5.189 6.095 12.702 1.00 0.00 C ATOM 0 H ALA A 41 7.057 5.969 11.077 1.00 0.00 H new ATOM 0 HA ALA A 41 6.095 4.196 13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.322 5.906 13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.944 6.637 13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.887 6.692 11.841 1.00 0.00 H new ATOM 708 N ASN A 42 4.895 3.763 10.203 1.00 0.00 N ATOM 709 CA ASN A 42 3.964 3.008 9.394 1.00 0.00 C ATOM 710 C ASN A 42 4.548 1.666 9.011 1.00 0.00 C ATOM 711 O ASN A 42 3.923 0.924 8.274 1.00 0.00 O ATOM 712 CB ASN A 42 3.603 3.763 8.101 1.00 0.00 C ATOM 713 CG ASN A 42 2.889 5.074 8.317 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.144 5.255 9.279 1.00 0.00 O ATOM 715 ND2 ASN A 42 3.115 6.004 7.432 1.00 0.00 N ATOM 0 H ASN A 42 5.707 4.112 9.694 1.00 0.00 H new ATOM 0 HA ASN A 42 3.066 2.867 9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.517 3.951 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.975 3.120 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.668 6.916 7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.739 5.820 6.646 1.00 0.00 H new ATOM 722 N LYS A 43 5.740 1.340 9.507 1.00 0.00 N ATOM 723 CA LYS A 43 6.391 0.085 9.114 1.00 0.00 C ATOM 724 C LYS A 43 5.739 -1.138 9.679 1.00 0.00 C ATOM 725 O LYS A 43 5.264 -1.151 10.815 1.00 0.00 O ATOM 726 CB LYS A 43 7.880 0.023 9.476 1.00 0.00 C ATOM 727 CG LYS A 43 8.782 0.849 8.601 1.00 0.00 C ATOM 728 CD LYS A 43 10.274 0.699 8.948 1.00 0.00 C ATOM 729 CE LYS A 43 10.895 -0.664 8.532 1.00 0.00 C ATOM 730 NZ LYS A 43 10.456 -1.841 9.348 1.00 0.00 N ATOM 0 H LYS A 43 6.268 1.911 10.167 1.00 0.00 H new ATOM 0 HA LYS A 43 6.278 0.088 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.001 0.350 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.207 -1.016 9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.628 0.563 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.500 1.898 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.830 1.501 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.400 0.829 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.648 -0.854 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.980 -0.584 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.269 -2.467 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.075 -1.510 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.719 -2.364 8.834 1.00 0.00 H new ATOM 744 N LEU A 44 5.716 -2.155 8.863 1.00 0.00 N ATOM 745 CA LEU A 44 5.367 -3.466 9.295 1.00 0.00 C ATOM 746 C LEU A 44 6.627 -4.059 9.853 1.00 0.00 C ATOM 747 O LEU A 44 7.680 -4.042 9.187 1.00 0.00 O ATOM 748 CB LEU A 44 4.880 -4.327 8.131 1.00 0.00 C ATOM 749 CG LEU A 44 3.593 -3.896 7.442 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.301 -4.830 6.291 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.438 -3.912 8.420 1.00 0.00 C ATOM 0 H LEU A 44 5.942 -2.089 7.871 1.00 0.00 H new ATOM 0 HA LEU A 44 4.559 -3.426 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.670 -4.361 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.744 -5.345 8.497 1.00 0.00 H new ATOM 0 HG LEU A 44 3.716 -2.880 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.379 -4.522 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.124 -4.796 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.189 -5.847 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.526 -3.601 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.308 -4.920 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.647 -3.226 9.241 1.00 0.00 H new ATOM 763 N ARG A 45 6.556 -4.523 11.045 1.00 0.00 N ATOM 764 CA ARG A 45 7.692 -5.065 11.709 1.00 0.00 C ATOM 765 C ARG A 45 7.842 -6.519 11.341 1.00 0.00 C ATOM 766 O ARG A 45 6.984 -7.346 11.647 1.00 0.00 O ATOM 767 CB ARG A 45 7.549 -4.844 13.197 1.00 0.00 C ATOM 768 CG ARG A 45 7.590 -3.366 13.561 1.00 0.00 C ATOM 769 CD ARG A 45 7.118 -3.118 14.970 1.00 0.00 C ATOM 770 NE ARG A 45 5.703 -3.461 15.130 1.00 0.00 N ATOM 771 CZ ARG A 45 5.028 -3.386 16.269 1.00 0.00 C ATOM 772 NH1 ARG A 45 5.628 -2.949 17.367 1.00 0.00 N ATOM 773 NH2 ARG A 45 3.748 -3.720 16.304 1.00 0.00 N ATOM 0 H ARG A 45 5.699 -4.539 11.598 1.00 0.00 H new ATOM 0 HA ARG A 45 8.606 -4.561 11.393 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.608 -5.276 13.539 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.349 -5.368 13.720 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.608 -2.993 13.449 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.966 -2.804 12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.717 -3.707 15.665 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.271 -2.070 15.227 1.00 0.00 H new ATOM 0 HE ARG A 45 5.199 -3.782 14.303 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.609 -2.670 17.336 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.109 -2.891 18.243 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.280 -4.035 15.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.230 -3.662 17.181 1.00 0.00 H new ATOM 787 N GLY A 46 8.910 -6.812 10.659 1.00 0.00 N ATOM 788 CA GLY A 46 9.130 -8.133 10.140 1.00 0.00 C ATOM 789 C GLY A 46 9.144 -8.088 8.635 1.00 0.00 C ATOM 790 O GLY A 46 9.167 -9.118 7.959 1.00 0.00 O ATOM 0 H GLY A 46 9.652 -6.145 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.076 -8.528 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.346 -8.806 10.487 1.00 0.00 H new ATOM 794 N MET A 47 9.093 -6.879 8.114 1.00 0.00 N ATOM 795 CA MET A 47 9.145 -6.625 6.699 1.00 0.00 C ATOM 796 C MET A 47 10.181 -5.539 6.488 1.00 0.00 C ATOM 797 O MET A 47 10.224 -4.594 7.280 1.00 0.00 O ATOM 798 CB MET A 47 7.779 -6.144 6.177 1.00 0.00 C ATOM 799 CG MET A 47 6.621 -7.123 6.377 1.00 0.00 C ATOM 800 SD MET A 47 6.845 -8.710 5.534 1.00 0.00 S ATOM 801 CE MET A 47 6.898 -8.208 3.814 1.00 0.00 C ATOM 0 H MET A 47 9.013 -6.033 8.678 1.00 0.00 H new ATOM 0 HA MET A 47 9.402 -7.536 6.159 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.529 -5.206 6.672 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.871 -5.928 5.113 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.493 -7.305 7.444 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.701 -6.660 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.556 -9.029 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.250 -7.344 3.667 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.921 -7.945 3.543 1.00 0.00 H new ATOM 811 N PRO A 48 11.026 -5.650 5.433 1.00 0.00 N ATOM 812 CA PRO A 48 12.124 -4.693 5.166 1.00 0.00 C ATOM 813 C PRO A 48 11.649 -3.238 5.155 1.00 0.00 C ATOM 814 O PRO A 48 11.909 -2.475 6.087 1.00 0.00 O ATOM 815 CB PRO A 48 12.652 -5.115 3.778 1.00 0.00 C ATOM 816 CG PRO A 48 11.622 -6.057 3.232 1.00 0.00 C ATOM 817 CD PRO A 48 10.989 -6.714 4.420 1.00 0.00 C ATOM 0 HA PRO A 48 12.886 -4.726 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.779 -4.251 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.625 -5.600 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.879 -5.522 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.080 -6.797 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.970 -7.037 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.544 -7.596 4.739 1.00 0.00 H new ATOM 825 N ASP A 49 10.926 -2.880 4.128 1.00 0.00 N ATOM 826 CA ASP A 49 10.341 -1.568 4.018 1.00 0.00 C ATOM 827 C ASP A 49 8.956 -1.688 3.499 1.00 0.00 C ATOM 828 O ASP A 49 8.709 -1.543 2.304 1.00 0.00 O ATOM 829 CB ASP A 49 11.143 -0.587 3.144 1.00 0.00 C ATOM 830 CG ASP A 49 12.399 -0.066 3.790 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.306 0.768 4.715 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.506 -0.421 3.343 1.00 0.00 O ATOM 0 H ASP A 49 10.724 -3.493 3.338 1.00 0.00 H new ATOM 0 HA ASP A 49 10.349 -1.145 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.408 -1.083 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.504 0.257 2.886 1.00 0.00 H new ATOM 837 N CYS A 50 8.067 -2.059 4.362 1.00 0.00 N ATOM 838 CA CYS A 50 6.692 -2.148 4.023 1.00 0.00 C ATOM 839 C CYS A 50 5.942 -1.346 5.028 1.00 0.00 C ATOM 840 O CYS A 50 6.298 -1.346 6.216 1.00 0.00 O ATOM 841 CB CYS A 50 6.240 -3.604 4.014 1.00 0.00 C ATOM 842 SG CYS A 50 7.207 -4.641 2.892 1.00 0.00 S ATOM 0 H CYS A 50 8.280 -2.310 5.327 1.00 0.00 H new ATOM 0 HA CYS A 50 6.506 -1.758 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.312 -4.007 5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.189 -3.650 3.727 1.00 0.00 H new ATOM 0 HG CYS A 50 8.060 -3.903 2.246 1.00 0.00 H new ATOM 848 N TYR A 51 4.945 -0.664 4.580 1.00 0.00 N ATOM 849 CA TYR A 51 4.220 0.247 5.410 1.00 0.00 C ATOM 850 C TYR A 51 2.757 0.022 5.205 1.00 0.00 C ATOM 851 O TYR A 51 2.348 -0.492 4.149 1.00 0.00 O ATOM 852 CB TYR A 51 4.562 1.704 5.031 1.00 0.00 C ATOM 853 CG TYR A 51 6.047 2.017 4.982 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.774 1.778 3.833 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.716 2.539 6.070 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.110 2.044 3.769 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.073 2.815 6.007 1.00 0.00 C ATOM 858 CZ TYR A 51 8.759 2.564 4.846 1.00 0.00 C ATOM 859 OH TYR A 51 10.112 2.819 4.766 1.00 0.00 O ATOM 0 H TYR A 51 4.604 -0.720 3.620 1.00 0.00 H new ATOM 0 HA TYR A 51 4.491 0.078 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.126 1.923 4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.088 2.372 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.274 1.372 2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.175 2.735 6.984 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.655 1.841 2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.586 3.224 6.865 1.00 0.00 H new ATOM 0 HH TYR A 51 10.605 1.972 4.768 1.00 0.00 H new ATOM 869 N LYS A 52 1.977 0.376 6.183 1.00 0.00 N ATOM 870 CA LYS A 52 0.560 0.250 6.070 1.00 0.00 C ATOM 871 C LYS A 52 -0.103 1.572 6.376 1.00 0.00 C ATOM 872 O LYS A 52 0.314 2.301 7.289 1.00 0.00 O ATOM 873 CB LYS A 52 -0.029 -0.891 6.966 1.00 0.00 C ATOM 874 CG LYS A 52 -0.033 -0.674 8.505 1.00 0.00 C ATOM 875 CD LYS A 52 1.364 -0.561 9.097 1.00 0.00 C ATOM 876 CE LYS A 52 1.346 -0.503 10.621 1.00 0.00 C ATOM 877 NZ LYS A 52 0.587 0.659 11.140 1.00 0.00 N ATOM 0 H LYS A 52 2.303 0.756 7.071 1.00 0.00 H new ATOM 0 HA LYS A 52 0.346 -0.033 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.057 -1.068 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.530 -1.803 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.593 0.232 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.557 -1.503 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.962 -1.414 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.850 0.334 8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.907 -1.422 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.370 -0.457 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.677 0.698 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.966 1.534 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.416 0.561 10.884 1.00 0.00 H new ATOM 891 N ILE A 53 -1.106 1.877 5.618 1.00 0.00 N ATOM 892 CA ILE A 53 -1.896 3.055 5.830 1.00 0.00 C ATOM 893 C ILE A 53 -3.231 2.594 6.349 1.00 0.00 C ATOM 894 O ILE A 53 -3.726 1.555 5.927 1.00 0.00 O ATOM 895 CB ILE A 53 -2.100 3.884 4.517 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.744 4.306 3.930 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.979 5.122 4.777 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.847 5.180 2.692 1.00 0.00 C ATOM 0 H ILE A 53 -1.406 1.311 4.824 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.384 3.712 6.534 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.611 3.249 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.181 4.842 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.173 3.411 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.105 5.680 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.955 4.805 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.500 5.758 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.153 5.433 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.380 4.641 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.388 6.094 2.936 1.00 0.00 H new ATOM 910 N LYS A 54 -3.789 3.332 7.256 1.00 0.00 N ATOM 911 CA LYS A 54 -5.041 2.992 7.852 1.00 0.00 C ATOM 912 C LYS A 54 -6.031 4.070 7.509 1.00 0.00 C ATOM 913 O LYS A 54 -5.734 5.268 7.644 1.00 0.00 O ATOM 914 CB LYS A 54 -4.945 2.764 9.396 1.00 0.00 C ATOM 915 CG LYS A 54 -4.386 3.937 10.212 1.00 0.00 C ATOM 916 CD LYS A 54 -2.872 4.072 10.077 1.00 0.00 C ATOM 917 CE LYS A 54 -2.399 5.405 10.590 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.608 5.557 12.040 1.00 0.00 N ATOM 0 H LYS A 54 -3.382 4.199 7.608 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.372 2.035 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.940 2.527 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.319 1.890 9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.861 4.862 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.643 3.800 11.262 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.382 3.271 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.586 3.959 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.339 5.522 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.927 6.201 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.235 6.477 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.625 5.506 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.111 4.795 12.544 1.00 0.00 H new ATOM 932 N LEU A 55 -7.155 3.669 7.016 1.00 0.00 N ATOM 933 CA LEU A 55 -8.156 4.598 6.602 1.00 0.00 C ATOM 934 C LEU A 55 -8.946 5.054 7.819 1.00 0.00 C ATOM 935 O LEU A 55 -9.189 4.261 8.736 1.00 0.00 O ATOM 936 CB LEU A 55 -9.066 3.945 5.561 1.00 0.00 C ATOM 937 CG LEU A 55 -9.862 4.893 4.676 1.00 0.00 C ATOM 938 CD1 LEU A 55 -8.913 5.766 3.890 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.759 4.115 3.739 1.00 0.00 C ATOM 0 H LEU A 55 -7.407 2.689 6.888 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.693 5.471 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.454 3.311 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.767 3.291 6.080 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.491 5.523 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.484 6.445 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.296 6.344 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.273 5.140 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.321 4.809 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.151 3.468 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.453 3.507 4.320 1.00 0.00 H new ATOM 951 N ARG A 56 -9.337 6.320 7.833 1.00 0.00 N ATOM 952 CA ARG A 56 -10.042 6.895 8.972 1.00 0.00 C ATOM 953 C ARG A 56 -11.463 6.375 8.995 1.00 0.00 C ATOM 954 O ARG A 56 -12.034 6.125 10.057 1.00 0.00 O ATOM 955 CB ARG A 56 -10.043 8.426 8.890 1.00 0.00 C ATOM 956 CG ARG A 56 -8.657 9.045 8.779 1.00 0.00 C ATOM 957 CD ARG A 56 -7.845 8.877 10.055 1.00 0.00 C ATOM 958 NE ARG A 56 -8.367 9.707 11.153 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.659 10.090 12.226 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.445 9.584 12.448 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.179 10.954 13.087 1.00 0.00 N ATOM 0 H ARG A 56 -9.178 6.972 7.065 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.531 6.603 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.636 8.732 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.538 8.826 9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.122 8.586 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.753 10.106 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.855 7.829 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.806 9.143 9.861 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.338 10.013 11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.050 8.902 11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.911 9.879 13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.116 11.326 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.642 11.246 13.903 1.00 0.00 H new ATOM 975 N SER A 57 -12.019 6.215 7.827 1.00 0.00 N ATOM 976 CA SER A 57 -13.333 5.681 7.675 1.00 0.00 C ATOM 977 C SER A 57 -13.245 4.196 7.302 1.00 0.00 C ATOM 978 O SER A 57 -12.238 3.756 6.729 1.00 0.00 O ATOM 979 CB SER A 57 -14.073 6.472 6.595 1.00 0.00 C ATOM 980 OG SER A 57 -14.104 7.866 6.922 1.00 0.00 O ATOM 0 H SER A 57 -11.563 6.456 6.947 1.00 0.00 H new ATOM 0 HA SER A 57 -13.883 5.766 8.612 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.582 6.330 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.090 6.094 6.493 1.00 0.00 H new ATOM 0 HG SER A 57 -14.580 8.356 6.219 1.00 0.00 H new ATOM 986 N SER A 58 -14.251 3.424 7.705 1.00 0.00 N ATOM 987 CA SER A 58 -14.403 2.000 7.366 1.00 0.00 C ATOM 988 C SER A 58 -13.395 1.050 8.084 1.00 0.00 C ATOM 989 O SER A 58 -13.786 -0.010 8.582 1.00 0.00 O ATOM 990 CB SER A 58 -14.390 1.807 5.844 1.00 0.00 C ATOM 991 OG SER A 58 -15.371 2.636 5.233 1.00 0.00 O ATOM 0 H SER A 58 -15.007 3.775 8.293 1.00 0.00 H new ATOM 0 HA SER A 58 -15.377 1.701 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.403 2.048 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.585 0.762 5.601 1.00 0.00 H new ATOM 0 HG SER A 58 -15.579 2.292 4.339 1.00 0.00 H new ATOM 997 N GLY A 59 -12.132 1.423 8.147 1.00 0.00 N ATOM 998 CA GLY A 59 -11.147 0.583 8.812 1.00 0.00 C ATOM 999 C GLY A 59 -10.363 -0.284 7.842 1.00 0.00 C ATOM 1000 O GLY A 59 -10.014 -1.434 8.144 1.00 0.00 O ATOM 0 H GLY A 59 -11.764 2.289 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.455 1.214 9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.651 -0.056 9.537 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.102 0.248 6.679 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.315 -0.453 5.691 1.00 0.00 C ATOM 1006 C TYR A 60 -7.865 -0.064 5.809 1.00 0.00 C ATOM 1007 O TYR A 60 -7.541 1.002 6.331 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.834 -0.210 4.272 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.081 -0.997 3.921 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.325 -0.648 4.422 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.005 -2.087 3.068 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.456 -1.366 4.085 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.128 -2.811 2.727 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.350 -2.446 3.239 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.477 -3.163 2.897 1.00 0.00 O ATOM 0 H TYR A 60 -10.424 1.171 6.387 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.408 -1.521 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.043 0.853 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.047 -0.463 3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.412 0.199 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.047 -2.375 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.419 -1.081 4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.048 -3.659 2.062 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.229 -3.893 2.292 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.006 -0.930 5.356 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.587 -0.719 5.410 1.00 0.00 C ATOM 1027 C ARG A 61 -4.998 -0.971 4.030 1.00 0.00 C ATOM 1028 O ARG A 61 -5.537 -1.761 3.246 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.877 -1.656 6.423 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.200 -1.493 7.928 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.601 -1.970 8.310 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.720 -2.178 9.758 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.526 -3.090 10.325 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.637 -3.483 9.694 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.291 -3.500 11.570 1.00 0.00 N ATOM 0 H ARG A 61 -7.275 -1.818 4.932 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.426 0.308 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.109 -2.684 6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.802 -1.526 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.465 -2.048 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.096 -0.443 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.338 -1.236 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.825 -2.900 7.788 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.154 -1.593 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.872 -3.090 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.250 -4.176 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.500 -3.121 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.902 -4.193 12.003 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.927 -0.318 3.736 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.244 -0.496 2.483 1.00 0.00 C ATOM 1051 C LEU A 62 -1.784 -0.773 2.794 1.00 0.00 C ATOM 1052 O LEU A 62 -1.189 -0.063 3.596 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.450 0.761 1.602 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.917 0.733 0.155 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.593 1.807 -0.658 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.428 0.975 0.118 1.00 0.00 C ATOM 0 H LEU A 62 -3.490 0.362 4.358 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.640 -1.338 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.520 0.965 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.985 1.605 2.112 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.130 -0.253 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.213 1.783 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.669 1.634 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.386 2.782 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.081 0.950 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.207 1.951 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.919 0.200 0.691 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.228 -1.807 2.185 1.00 0.00 N ATOM 1069 CA VAL A 63 0.135 -2.230 2.460 1.00 0.00 C ATOM 1070 C VAL A 63 0.999 -2.132 1.208 1.00 0.00 C ATOM 1071 O VAL A 63 0.681 -2.723 0.153 1.00 0.00 O ATOM 1072 CB VAL A 63 0.170 -3.680 3.018 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.599 -4.159 3.254 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.630 -3.770 4.304 1.00 0.00 C ATOM 0 H VAL A 63 -1.708 -2.376 1.487 1.00 0.00 H new ATOM 0 HA VAL A 63 0.540 -1.559 3.217 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.280 -4.332 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.582 -5.177 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.149 -4.140 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.089 -3.503 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.596 -4.792 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.204 -3.094 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.665 -3.489 4.109 1.00 0.00 H new ATOM 1084 N TYR A 64 2.076 -1.408 1.321 1.00 0.00 N ATOM 1085 CA TYR A 64 2.974 -1.196 0.219 1.00 0.00 C ATOM 1086 C TYR A 64 4.415 -1.305 0.666 1.00 0.00 C ATOM 1087 O TYR A 64 4.711 -1.192 1.858 1.00 0.00 O ATOM 1088 CB TYR A 64 2.716 0.173 -0.458 1.00 0.00 C ATOM 1089 CG TYR A 64 2.826 1.397 0.441 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.035 1.797 1.005 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.715 2.150 0.711 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.110 2.906 1.809 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.780 3.255 1.510 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.980 3.632 2.061 1.00 0.00 C ATOM 1095 OH TYR A 64 3.044 4.730 2.875 1.00 0.00 O ATOM 0 H TYR A 64 2.358 -0.945 2.185 1.00 0.00 H new ATOM 0 HA TYR A 64 2.784 -1.978 -0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.422 0.287 -1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.717 0.157 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.929 1.224 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.766 1.863 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.055 3.203 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.889 3.832 1.708 1.00 0.00 H new ATOM 0 HH TYR A 64 3.933 5.137 2.807 1.00 0.00 H new ATOM 1105 N GLN A 65 5.286 -1.556 -0.264 1.00 0.00 N ATOM 1106 CA GLN A 65 6.701 -1.548 -0.008 1.00 0.00 C ATOM 1107 C GLN A 65 7.306 -0.383 -0.745 1.00 0.00 C ATOM 1108 O GLN A 65 6.871 -0.060 -1.853 1.00 0.00 O ATOM 1109 CB GLN A 65 7.391 -2.849 -0.450 1.00 0.00 C ATOM 1110 CG GLN A 65 7.221 -3.185 -1.929 1.00 0.00 C ATOM 1111 CD GLN A 65 8.110 -4.320 -2.403 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.313 -4.403 -1.881 1.00 0.00 O flip ATOM 1113 NE2 GLN A 65 7.740 -5.082 -3.288 1.00 0.00 N flip ATOM 0 H GLN A 65 5.037 -1.774 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 65 6.851 -1.460 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.455 -2.774 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.998 -3.674 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.180 -3.449 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.435 -2.296 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.801 -4.995 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.371 -5.803 -3.637 1.00 0.00 H new ATOM 1122 N VAL A 66 8.249 0.280 -0.160 1.00 0.00 N ATOM 1123 CA VAL A 66 8.883 1.341 -0.876 1.00 0.00 C ATOM 1124 C VAL A 66 10.196 0.849 -1.391 1.00 0.00 C ATOM 1125 O VAL A 66 11.005 0.280 -0.654 1.00 0.00 O ATOM 1126 CB VAL A 66 9.051 2.680 -0.077 1.00 0.00 C ATOM 1127 CG1 VAL A 66 7.739 3.142 0.512 1.00 0.00 C ATOM 1128 CG2 VAL A 66 10.163 2.633 0.975 1.00 0.00 C ATOM 0 H VAL A 66 8.592 0.114 0.786 1.00 0.00 H new ATOM 0 HA VAL A 66 8.216 1.610 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 66 9.372 3.424 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.893 4.072 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.019 3.307 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.357 2.381 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.220 3.594 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.946 1.848 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.116 2.424 0.488 1.00 0.00 H new ATOM 1138 N ILE A 67 10.371 0.950 -2.648 1.00 0.00 N ATOM 1139 CA ILE A 67 11.600 0.603 -3.211 1.00 0.00 C ATOM 1140 C ILE A 67 12.329 1.900 -3.428 1.00 0.00 C ATOM 1141 O ILE A 67 12.117 2.582 -4.431 1.00 0.00 O ATOM 1142 CB ILE A 67 11.432 -0.158 -4.546 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.447 -1.329 -4.368 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.783 -0.683 -5.002 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.127 -2.076 -5.646 1.00 0.00 C ATOM 0 H ILE A 67 9.666 1.275 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 67 12.149 -0.071 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 67 11.034 0.522 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.863 -2.031 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.519 -0.946 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.666 -1.220 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.469 0.152 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.185 -1.358 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.427 -2.883 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.679 -1.391 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.044 -2.492 -6.063 1.00 0.00 H new ATOM 1157 N ASP A 68 13.153 2.263 -2.475 1.00 0.00 N ATOM 1158 CA ASP A 68 13.891 3.532 -2.516 1.00 0.00 C ATOM 1159 C ASP A 68 14.962 3.458 -3.576 1.00 0.00 C ATOM 1160 O ASP A 68 15.385 4.460 -4.143 1.00 0.00 O ATOM 1161 CB ASP A 68 14.485 3.849 -1.136 1.00 0.00 C ATOM 1162 CG ASP A 68 15.260 5.151 -1.088 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.649 6.237 -1.200 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.489 5.116 -0.883 1.00 0.00 O ATOM 0 H ASP A 68 13.340 1.699 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 68 13.209 4.343 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.678 3.890 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.144 3.033 -0.838 1.00 0.00 H new ATOM 1169 N GLU A 69 15.342 2.235 -3.874 1.00 0.00 N ATOM 1170 CA GLU A 69 16.297 1.917 -4.916 1.00 0.00 C ATOM 1171 C GLU A 69 15.750 2.348 -6.291 1.00 0.00 C ATOM 1172 O GLU A 69 16.483 2.839 -7.133 1.00 0.00 O ATOM 1173 CB GLU A 69 16.547 0.412 -4.905 1.00 0.00 C ATOM 1174 CG GLU A 69 17.049 -0.115 -3.568 1.00 0.00 C ATOM 1175 CD GLU A 69 17.131 -1.623 -3.515 1.00 0.00 C ATOM 1176 OE1 GLU A 69 18.084 -2.197 -4.070 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.259 -2.265 -2.867 1.00 0.00 O ATOM 0 H GLU A 69 14.987 1.412 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 69 17.229 2.451 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.622 -0.103 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.275 0.168 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.035 0.303 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.387 0.234 -2.776 1.00 0.00 H new ATOM 1184 N LYS A 70 14.445 2.199 -6.481 1.00 0.00 N ATOM 1185 CA LYS A 70 13.808 2.538 -7.753 1.00 0.00 C ATOM 1186 C LYS A 70 12.978 3.821 -7.640 1.00 0.00 C ATOM 1187 O LYS A 70 12.428 4.300 -8.634 1.00 0.00 O ATOM 1188 CB LYS A 70 12.914 1.391 -8.224 1.00 0.00 C ATOM 1189 CG LYS A 70 13.634 0.099 -8.553 1.00 0.00 C ATOM 1190 CD LYS A 70 12.636 -0.986 -8.931 1.00 0.00 C ATOM 1191 CE LYS A 70 13.320 -2.301 -9.244 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.349 -3.364 -9.561 1.00 0.00 N ATOM 0 H LYS A 70 13.804 1.845 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 70 14.601 2.704 -8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.174 1.188 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.368 1.718 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.330 0.263 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.224 -0.224 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.930 -1.130 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.059 -0.662 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.998 -2.166 -10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.927 -2.606 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.857 -4.247 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.718 -3.511 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.787 -3.084 -10.390 1.00 0.00 H new ATOM 1206 N VAL A 71 12.891 4.365 -6.418 1.00 0.00 N ATOM 1207 CA VAL A 71 12.127 5.600 -6.115 1.00 0.00 C ATOM 1208 C VAL A 71 10.602 5.359 -6.398 1.00 0.00 C ATOM 1209 O VAL A 71 9.846 6.255 -6.774 1.00 0.00 O ATOM 1210 CB VAL A 71 12.696 6.845 -6.923 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.067 8.165 -6.471 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.216 6.929 -6.789 1.00 0.00 C ATOM 0 H VAL A 71 13.350 3.963 -5.601 1.00 0.00 H new ATOM 0 HA VAL A 71 12.244 5.840 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 71 12.431 6.688 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.487 8.986 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.989 8.126 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.276 8.324 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.584 7.788 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.483 7.040 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.667 6.018 -7.183 1.00 0.00 H new ATOM 1222 N VAL A 72 10.155 4.148 -6.133 1.00 0.00 N ATOM 1223 CA VAL A 72 8.773 3.784 -6.385 1.00 0.00 C ATOM 1224 C VAL A 72 8.168 3.078 -5.169 1.00 0.00 C ATOM 1225 O VAL A 72 8.832 2.292 -4.486 1.00 0.00 O ATOM 1226 CB VAL A 72 8.625 2.897 -7.678 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.365 1.582 -7.553 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.163 2.651 -8.036 1.00 0.00 C ATOM 0 H VAL A 72 10.727 3.399 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 72 8.220 4.707 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 72 9.081 3.463 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.235 1.003 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.426 1.775 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.967 1.020 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.107 2.035 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.668 2.137 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.668 3.605 -8.219 1.00 0.00 H new ATOM 1238 N VAL A 73 6.953 3.418 -4.882 1.00 0.00 N ATOM 1239 CA VAL A 73 6.180 2.826 -3.838 1.00 0.00 C ATOM 1240 C VAL A 73 5.288 1.784 -4.489 1.00 0.00 C ATOM 1241 O VAL A 73 4.433 2.118 -5.308 1.00 0.00 O ATOM 1242 CB VAL A 73 5.308 3.899 -3.143 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.472 3.304 -2.040 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.170 5.030 -2.607 1.00 0.00 C ATOM 0 H VAL A 73 6.451 4.146 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 73 6.827 2.378 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 73 4.629 4.305 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.873 4.087 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.813 2.541 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.124 2.853 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.536 5.773 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.882 4.633 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.711 5.496 -3.430 1.00 0.00 H new ATOM 1254 N PHE A 74 5.500 0.555 -4.153 1.00 0.00 N ATOM 1255 CA PHE A 74 4.808 -0.542 -4.773 1.00 0.00 C ATOM 1256 C PHE A 74 3.763 -1.111 -3.823 1.00 0.00 C ATOM 1257 O PHE A 74 4.103 -1.695 -2.787 1.00 0.00 O ATOM 1258 CB PHE A 74 5.847 -1.603 -5.171 1.00 0.00 C ATOM 1259 CG PHE A 74 5.309 -2.831 -5.846 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.903 -2.789 -7.164 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.233 -4.035 -5.165 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.430 -3.920 -7.790 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.766 -5.169 -5.786 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.364 -5.112 -7.102 1.00 0.00 C ATOM 0 H PHE A 74 6.165 0.274 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 74 4.280 -0.205 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.576 -1.138 -5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.384 -1.911 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.957 -1.859 -7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.545 -4.083 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.111 -3.873 -8.821 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.715 -6.102 -5.244 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.997 -6.001 -7.594 1.00 0.00 H new ATOM 1274 N VAL A 75 2.501 -0.905 -4.152 1.00 0.00 N ATOM 1275 CA VAL A 75 1.404 -1.422 -3.355 1.00 0.00 C ATOM 1276 C VAL A 75 1.270 -2.907 -3.614 1.00 0.00 C ATOM 1277 O VAL A 75 1.086 -3.337 -4.762 1.00 0.00 O ATOM 1278 CB VAL A 75 0.059 -0.700 -3.662 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.081 -1.245 -2.794 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.202 0.804 -3.465 1.00 0.00 C ATOM 0 H VAL A 75 2.209 -0.378 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 75 1.629 -1.237 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.191 -0.896 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.005 -0.719 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.209 -2.310 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.841 -1.094 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.748 1.292 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.486 1.010 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.970 1.188 -4.137 1.00 0.00 H new ATOM 1290 N ILE A 76 1.375 -3.681 -2.564 1.00 0.00 N ATOM 1291 CA ILE A 76 1.352 -5.116 -2.681 1.00 0.00 C ATOM 1292 C ILE A 76 -0.054 -5.632 -2.431 1.00 0.00 C ATOM 1293 O ILE A 76 -0.548 -6.507 -3.138 1.00 0.00 O ATOM 1294 CB ILE A 76 2.296 -5.764 -1.635 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.693 -5.138 -1.710 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.382 -7.277 -1.856 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.627 -5.606 -0.616 1.00 0.00 C ATOM 0 H ILE A 76 1.478 -3.337 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 76 1.681 -5.377 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 76 1.885 -5.579 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.135 -5.372 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.599 -4.053 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.048 -7.716 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.389 -7.716 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.770 -7.477 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.596 -5.121 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.207 -5.348 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.752 -6.687 -0.682 1.00 0.00 H new ATOM 1309 N SER A 77 -0.705 -5.086 -1.434 1.00 0.00 N ATOM 1310 CA SER A 77 -2.019 -5.532 -1.057 1.00 0.00 C ATOM 1311 C SER A 77 -2.794 -4.388 -0.434 1.00 0.00 C ATOM 1312 O SER A 77 -2.208 -3.452 0.115 1.00 0.00 O ATOM 1313 CB SER A 77 -1.912 -6.707 -0.073 1.00 0.00 C ATOM 1314 OG SER A 77 -1.188 -7.784 -0.648 1.00 0.00 O ATOM 0 H SER A 77 -0.339 -4.323 -0.864 1.00 0.00 H new ATOM 0 HA SER A 77 -2.551 -5.870 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.417 -6.378 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.910 -7.043 0.208 1.00 0.00 H new ATOM 0 HG SER A 77 -1.131 -8.520 -0.004 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.084 -4.458 -0.526 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.951 -3.444 -0.001 1.00 0.00 C ATOM 1322 C VAL A 78 -6.262 -4.102 0.427 1.00 0.00 C ATOM 1323 O VAL A 78 -6.727 -5.041 -0.228 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.182 -2.303 -1.053 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.816 -2.815 -2.333 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -5.985 -1.161 -0.473 1.00 0.00 C ATOM 0 H VAL A 78 -4.575 -5.232 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.491 -2.972 0.868 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.194 -1.922 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.954 -1.986 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.167 -3.564 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.783 -3.263 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.124 -0.391 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.958 -1.529 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.453 -0.738 0.379 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.808 -3.682 1.539 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.041 -4.248 2.007 1.00 0.00 C ATOM 1338 C GLY A 79 -8.097 -4.257 3.501 1.00 0.00 C ATOM 1339 O GLY A 79 -7.705 -3.293 4.144 1.00 0.00 O ATOM 0 H GLY A 79 -6.417 -2.952 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.880 -3.676 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.144 -5.266 1.630 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.569 -5.316 4.070 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.615 -5.398 5.500 1.00 0.00 C ATOM 1345 C LYS A 80 -7.437 -6.200 6.019 1.00 0.00 C ATOM 1346 O LYS A 80 -7.483 -7.421 6.084 1.00 0.00 O ATOM 1347 CB LYS A 80 -9.949 -5.969 5.991 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.158 -5.153 5.541 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.462 -5.665 6.141 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.760 -7.107 5.751 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.029 -7.583 6.334 1.00 0.00 N ATOM 0 H LYS A 80 -8.927 -6.133 3.576 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.541 -4.387 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.054 -6.991 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.937 -6.017 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.015 -4.111 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.227 -5.180 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.412 -5.589 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.283 -5.027 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.807 -7.187 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.944 -7.749 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.196 -8.568 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.976 -7.531 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.811 -6.986 5.997 1.00 0.00 H new ATOM 1365 N ALA A 81 -6.367 -5.507 6.313 1.00 0.00 N ATOM 1366 CA ALA A 81 -5.181 -6.120 6.862 1.00 0.00 C ATOM 1367 C ALA A 81 -5.318 -6.171 8.359 1.00 0.00 C ATOM 1368 O ALA A 81 -5.554 -5.144 8.988 1.00 0.00 O ATOM 1369 CB ALA A 81 -3.955 -5.309 6.488 1.00 0.00 C ATOM 0 H ALA A 81 -6.292 -4.499 6.179 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.067 -7.127 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.066 -5.780 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.865 -5.265 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.052 -4.299 6.885 1.00 0.00 H new ATOM 1426 N VAL A 86 -2.075 -9.946 4.412 1.00 0.00 N ATOM 1427 CA VAL A 86 -1.219 -9.122 3.587 1.00 0.00 C ATOM 1428 C VAL A 86 0.237 -9.589 3.651 1.00 0.00 C ATOM 1429 O VAL A 86 0.962 -9.496 2.674 1.00 0.00 O ATOM 1430 CB VAL A 86 -1.341 -7.616 3.937 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -2.743 -7.119 3.614 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -1.014 -7.373 5.411 1.00 0.00 C ATOM 0 HA VAL A 86 -1.564 -9.240 2.560 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.622 -7.060 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.820 -6.061 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.942 -7.257 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.472 -7.683 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.106 -6.310 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.708 -7.936 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.005 -7.700 5.616 1.00 0.00 H new ATOM 1442 N TYR A 87 0.636 -10.144 4.792 1.00 0.00 N ATOM 1443 CA TYR A 87 2.001 -10.639 4.982 1.00 0.00 C ATOM 1444 C TYR A 87 2.256 -11.837 4.110 1.00 0.00 C ATOM 1445 O TYR A 87 3.266 -11.903 3.416 1.00 0.00 O ATOM 1446 CB TYR A 87 2.268 -11.019 6.440 1.00 0.00 C ATOM 1447 CG TYR A 87 2.523 -9.866 7.381 1.00 0.00 C ATOM 1448 CD1 TYR A 87 1.506 -9.017 7.782 1.00 0.00 C ATOM 1449 CD2 TYR A 87 3.797 -9.645 7.885 1.00 0.00 C ATOM 1450 CE1 TYR A 87 1.751 -7.980 8.655 1.00 0.00 C ATOM 1451 CE2 TYR A 87 4.049 -8.617 8.762 1.00 0.00 C ATOM 1452 CZ TYR A 87 3.026 -7.788 9.143 1.00 0.00 C ATOM 1453 OH TYR A 87 3.271 -6.775 10.030 1.00 0.00 O ATOM 0 H TYR A 87 0.031 -10.264 5.605 1.00 0.00 H new ATOM 0 HA TYR A 87 2.675 -9.829 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.413 -11.585 6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.129 -11.686 6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.506 -9.170 7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.606 -10.293 7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.949 -7.322 8.955 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.046 -8.464 9.148 1.00 0.00 H new ATOM 0 HH TYR A 87 4.220 -6.778 10.276 1.00 0.00 H new ATOM 1463 N SER A 88 1.323 -12.769 4.135 1.00 0.00 N ATOM 1464 CA SER A 88 1.421 -13.985 3.374 1.00 0.00 C ATOM 1465 C SER A 88 1.536 -13.695 1.883 1.00 0.00 C ATOM 1466 O SER A 88 2.367 -14.288 1.191 1.00 0.00 O ATOM 1467 CB SER A 88 0.215 -14.863 3.664 1.00 0.00 C ATOM 1468 OG SER A 88 0.127 -15.168 5.061 1.00 0.00 O ATOM 0 H SER A 88 0.471 -12.696 4.691 1.00 0.00 H new ATOM 0 HA SER A 88 2.327 -14.513 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.694 -14.357 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.287 -15.787 3.090 1.00 0.00 H new ATOM 0 HG SER A 88 -0.657 -15.732 5.224 1.00 0.00 H new ATOM 1474 N GLU A 89 0.761 -12.745 1.408 1.00 0.00 N ATOM 1475 CA GLU A 89 0.779 -12.425 0.012 1.00 0.00 C ATOM 1476 C GLU A 89 2.102 -11.744 -0.327 1.00 0.00 C ATOM 1477 O GLU A 89 2.742 -12.080 -1.307 1.00 0.00 O ATOM 1478 CB GLU A 89 -0.403 -11.529 -0.346 1.00 0.00 C ATOM 1479 CG GLU A 89 -0.860 -11.678 -1.790 1.00 0.00 C ATOM 1480 CD GLU A 89 -1.392 -13.075 -2.065 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -2.574 -13.346 -1.733 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -0.649 -13.933 -2.599 1.00 0.00 O ATOM 0 H GLU A 89 0.117 -12.188 1.970 1.00 0.00 H new ATOM 0 HA GLU A 89 0.689 -13.340 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.237 -11.759 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.129 -10.490 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.636 -10.943 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.027 -11.467 -2.460 1.00 0.00 H new ATOM 1489 N ALA A 90 2.536 -10.842 0.549 1.00 0.00 N ATOM 1490 CA ALA A 90 3.775 -10.100 0.358 1.00 0.00 C ATOM 1491 C ALA A 90 4.998 -11.016 0.344 1.00 0.00 C ATOM 1492 O ALA A 90 5.826 -10.929 -0.565 1.00 0.00 O ATOM 1493 CB ALA A 90 3.927 -9.022 1.419 1.00 0.00 C ATOM 0 H ALA A 90 2.039 -10.607 1.408 1.00 0.00 H new ATOM 0 HA ALA A 90 3.716 -9.623 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.859 -8.481 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.089 -8.328 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.942 -9.483 2.407 1.00 0.00 H new