USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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 135 HIS : no HE2:sc= 0.0259 K(o=0.41,f=-0.092) USER MOD Set 1.2: A 136 SER OG : rot -18:sc= 0.383 USER MOD Set 2.1: A 123 TYR OH : rot 72:sc= 1.27 USER MOD Set 2.2: A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 64 THR OG1 : rot 180:sc= 0.0824 USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -97:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ 150:sc= 1.23 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0874 K(o=-0.087,f=-6!) USER MOD Single : A 41 SER OG : rot 71:sc= -0.866 USER MOD Single : A 43 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.9!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.684 K(o=0.68,f=-3.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.127 K(o=0.13,f=-2.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.42) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.784 K(o=-0.78,f=-2.6) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -136:sc= 2.25 USER MOD Single : A 100 LYS NZ :NH3+ -171:sc=-0.00671 (180deg=-0.122) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -155:sc= 0.0779 USER MOD Single : A 128 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.751) USER MOD Single : A 131 SER OG : rot 180:sc= 0.00451 USER MOD Single : A 132 CYS SG : rot 5:sc= -1 USER MOD Single : A 141 MET CE :methyl -132:sc= -0.129 (180deg=-0.731) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -17.011 11.911 10.433 1.00 52.42 N ATOM 61 CA ASP A 18 -15.920 11.557 11.336 1.00 35.44 C ATOM 62 C ASP A 18 -16.286 10.280 12.063 1.00 5.41 C ATOM 63 O ASP A 18 -15.469 9.345 12.227 1.00 41.42 O ATOM 64 CB ASP A 18 -15.681 12.677 12.337 1.00 50.31 C ATOM 65 CG ASP A 18 -14.434 12.470 13.146 1.00 45.22 C ATOM 66 OD1 ASP A 18 -14.500 11.890 14.240 1.00 44.43 O ATOM 67 OD2 ASP A 18 -13.352 12.924 12.688 1.00 62.55 O ATOM 0 HA ASP A 18 -15.004 11.408 10.764 1.00 35.44 H new ATOM 0 HB2 ASP A 18 -15.612 13.626 11.805 1.00 50.31 H new ATOM 0 HB3 ASP A 18 -16.537 12.749 13.008 1.00 50.31 H new ATOM 72 N LEU A 19 -17.549 10.211 12.425 1.00 62.21 N ATOM 73 CA LEU A 19 -18.088 9.061 13.095 1.00 14.22 C ATOM 74 C LEU A 19 -18.143 7.922 12.079 1.00 21.14 C ATOM 75 O LEU A 19 -17.888 6.758 12.400 1.00 3.42 O ATOM 76 CB LEU A 19 -19.487 9.425 13.674 1.00 14.02 C ATOM 77 CG LEU A 19 -20.198 8.415 14.616 1.00 1.54 C ATOM 78 CD1 LEU A 19 -20.737 7.205 13.873 1.00 40.24 C ATOM 79 CD2 LEU A 19 -19.258 7.975 15.727 1.00 45.02 C ATOM 0 H LEU A 19 -18.227 10.955 12.260 1.00 62.21 H new ATOM 0 HA LEU A 19 -17.470 8.742 13.935 1.00 14.22 H new ATOM 0 HB2 LEU A 19 -19.384 10.365 14.217 1.00 14.02 H new ATOM 0 HB3 LEU A 19 -20.153 9.614 12.832 1.00 14.02 H new ATOM 0 HG LEU A 19 -21.054 8.932 15.049 1.00 1.54 H new ATOM 0 HD11 LEU A 19 -21.224 6.532 14.579 1.00 40.24 H new ATOM 0 HD12 LEU A 19 -21.459 7.530 13.124 1.00 40.24 H new ATOM 0 HD13 LEU A 19 -19.915 6.684 13.382 1.00 40.24 H new ATOM 0 HD21 LEU A 19 -19.771 7.268 16.379 1.00 45.02 H new ATOM 0 HD22 LEU A 19 -18.380 7.497 15.293 1.00 45.02 H new ATOM 0 HD23 LEU A 19 -18.949 8.844 16.307 1.00 45.02 H new ATOM 91 N ASP A 20 -18.406 8.297 10.843 1.00 20.44 N ATOM 92 CA ASP A 20 -18.478 7.375 9.731 1.00 72.51 C ATOM 93 C ASP A 20 -17.144 6.733 9.492 1.00 54.02 C ATOM 94 O ASP A 20 -17.057 5.513 9.426 1.00 54.00 O ATOM 95 CB ASP A 20 -18.950 8.084 8.458 1.00 11.41 C ATOM 96 CG ASP A 20 -18.995 7.173 7.253 1.00 15.03 C ATOM 97 OD1 ASP A 20 -19.927 6.341 7.156 1.00 32.53 O ATOM 98 OD2 ASP A 20 -18.123 7.286 6.383 1.00 43.11 O ATOM 0 H ASP A 20 -18.578 9.267 10.581 1.00 20.44 H new ATOM 0 HA ASP A 20 -19.203 6.602 9.986 1.00 72.51 H new ATOM 0 HB2 ASP A 20 -19.943 8.500 8.628 1.00 11.41 H new ATOM 0 HB3 ASP A 20 -18.285 8.922 8.248 1.00 11.41 H new ATOM 103 N VAL A 21 -16.095 7.546 9.407 1.00 72.14 N ATOM 104 CA VAL A 21 -14.769 7.021 9.159 1.00 55.42 C ATOM 105 C VAL A 21 -14.277 6.138 10.298 1.00 21.23 C ATOM 106 O VAL A 21 -13.737 5.052 10.049 1.00 60.10 O ATOM 107 CB VAL A 21 -13.699 8.101 8.775 1.00 13.44 C ATOM 108 CG1 VAL A 21 -13.533 9.149 9.847 1.00 33.42 C ATOM 109 CG2 VAL A 21 -12.356 7.447 8.468 1.00 43.14 C ATOM 0 H VAL A 21 -16.142 8.560 9.506 1.00 72.14 H new ATOM 0 HA VAL A 21 -14.887 6.400 8.271 1.00 55.42 H new ATOM 0 HB VAL A 21 -14.065 8.603 7.879 1.00 13.44 H new ATOM 0 HG11 VAL A 21 -12.781 9.874 9.534 1.00 33.42 H new ATOM 0 HG12 VAL A 21 -14.483 9.658 10.008 1.00 33.42 H new ATOM 0 HG13 VAL A 21 -13.214 8.673 10.775 1.00 33.42 H new ATOM 0 HG21 VAL A 21 -11.629 8.215 8.204 1.00 43.14 H new ATOM 0 HG22 VAL A 21 -12.007 6.903 9.346 1.00 43.14 H new ATOM 0 HG23 VAL A 21 -12.471 6.754 7.634 1.00 43.14 H new ATOM 119 N LYS A 22 -14.489 6.549 11.548 1.00 21.52 N ATOM 120 CA LYS A 22 -14.026 5.706 12.630 1.00 14.24 C ATOM 121 C LYS A 22 -14.858 4.432 12.742 1.00 44.41 C ATOM 122 O LYS A 22 -14.334 3.378 13.088 1.00 53.43 O ATOM 123 CB LYS A 22 -13.882 6.431 13.972 1.00 14.41 C ATOM 124 CG LYS A 22 -15.157 7.013 14.562 1.00 53.44 C ATOM 125 CD LYS A 22 -14.881 7.642 15.924 1.00 3.32 C ATOM 126 CE LYS A 22 -14.441 6.596 16.951 1.00 60.22 C ATOM 127 NZ LYS A 22 -14.033 7.198 18.230 1.00 11.21 N ATOM 0 H LYS A 22 -14.954 7.415 11.821 1.00 21.52 H new ATOM 0 HA LYS A 22 -13.010 5.415 12.364 1.00 14.24 H new ATOM 0 HB2 LYS A 22 -13.458 5.733 14.694 1.00 14.41 H new ATOM 0 HB3 LYS A 22 -13.162 7.240 13.849 1.00 14.41 H new ATOM 0 HG2 LYS A 22 -15.568 7.763 13.886 1.00 53.44 H new ATOM 0 HG3 LYS A 22 -15.908 6.229 14.663 1.00 53.44 H new ATOM 0 HD2 LYS A 22 -14.106 8.402 15.824 1.00 3.32 H new ATOM 0 HD3 LYS A 22 -15.779 8.147 16.280 1.00 3.32 H new ATOM 0 HE2 LYS A 22 -15.259 5.898 17.127 1.00 60.22 H new ATOM 0 HE3 LYS A 22 -13.611 6.019 16.544 1.00 60.22 H new ATOM 0 HZ1 LYS A 22 -13.744 6.448 18.890 1.00 11.21 H new ATOM 0 HZ2 LYS A 22 -13.234 7.845 18.070 1.00 11.21 H new ATOM 0 HZ3 LYS A 22 -14.831 7.727 18.635 1.00 11.21 H new ATOM 141 N GLY A 23 -16.142 4.522 12.396 1.00 62.15 N ATOM 142 CA GLY A 23 -16.990 3.347 12.391 1.00 10.23 C ATOM 143 C GLY A 23 -16.584 2.400 11.280 1.00 12.12 C ATOM 144 O GLY A 23 -16.578 1.194 11.452 1.00 62.21 O ATOM 0 H GLY A 23 -16.606 5.387 12.120 1.00 62.15 H new ATOM 0 HA2 GLY A 23 -16.921 2.838 13.353 1.00 10.23 H new ATOM 0 HA3 GLY A 23 -18.031 3.644 12.261 1.00 10.23 H new ATOM 148 N LEU A 24 -16.197 2.976 10.156 1.00 21.33 N ATOM 149 CA LEU A 24 -15.752 2.261 8.988 1.00 22.21 C ATOM 150 C LEU A 24 -14.447 1.533 9.312 1.00 12.31 C ATOM 151 O LEU A 24 -14.316 0.324 9.086 1.00 61.15 O ATOM 152 CB LEU A 24 -15.532 3.300 7.878 1.00 14.23 C ATOM 153 CG LEU A 24 -15.089 2.809 6.523 1.00 25.45 C ATOM 154 CD1 LEU A 24 -16.221 2.084 5.814 1.00 21.31 C ATOM 155 CD2 LEU A 24 -14.529 3.956 5.672 1.00 63.54 C ATOM 0 H LEU A 24 -16.186 3.989 10.034 1.00 21.33 H new ATOM 0 HA LEU A 24 -16.484 1.519 8.668 1.00 22.21 H new ATOM 0 HB2 LEU A 24 -16.464 3.849 7.745 1.00 14.23 H new ATOM 0 HB3 LEU A 24 -14.789 4.015 8.233 1.00 14.23 H new ATOM 0 HG LEU A 24 -14.280 2.093 6.670 1.00 25.45 H new ATOM 0 HD11 LEU A 24 -15.878 1.739 4.839 1.00 21.31 H new ATOM 0 HD12 LEU A 24 -16.536 1.228 6.411 1.00 21.31 H new ATOM 0 HD13 LEU A 24 -17.063 2.764 5.683 1.00 21.31 H new ATOM 0 HD21 LEU A 24 -14.218 3.570 4.701 1.00 63.54 H new ATOM 0 HD22 LEU A 24 -15.299 4.714 5.532 1.00 63.54 H new ATOM 0 HD23 LEU A 24 -13.671 4.399 6.178 1.00 63.54 H new ATOM 167 N GLY A 25 -13.507 2.274 9.881 1.00 0.11 N ATOM 168 CA GLY A 25 -12.225 1.721 10.261 1.00 41.15 C ATOM 169 C GLY A 25 -12.356 0.645 11.317 1.00 72.33 C ATOM 170 O GLY A 25 -11.616 -0.351 11.297 1.00 24.15 O ATOM 0 H GLY A 25 -13.614 3.267 10.089 1.00 0.11 H new ATOM 0 HA2 GLY A 25 -11.735 1.305 9.380 1.00 41.15 H new ATOM 0 HA3 GLY A 25 -11.584 2.519 10.636 1.00 41.15 H new ATOM 174 N TYR A 26 -13.286 0.835 12.236 1.00 32.43 N ATOM 175 CA TYR A 26 -13.539 -0.145 13.264 1.00 71.44 C ATOM 176 C TYR A 26 -14.183 -1.386 12.674 1.00 33.11 C ATOM 177 O TYR A 26 -13.805 -2.486 13.021 1.00 55.22 O ATOM 178 CB TYR A 26 -14.409 0.428 14.401 1.00 33.21 C ATOM 179 CG TYR A 26 -14.764 -0.591 15.474 1.00 14.32 C ATOM 180 CD1 TYR A 26 -13.839 -0.966 16.443 1.00 62.05 C ATOM 181 CD2 TYR A 26 -16.024 -1.181 15.508 1.00 32.41 C ATOM 182 CE1 TYR A 26 -14.164 -1.901 17.412 1.00 34.50 C ATOM 183 CE2 TYR A 26 -16.351 -2.111 16.470 1.00 42.14 C ATOM 184 CZ TYR A 26 -15.423 -2.469 17.417 1.00 34.22 C ATOM 185 OH TYR A 26 -15.759 -3.396 18.379 1.00 61.15 O ATOM 0 H TYR A 26 -13.878 1.664 12.287 1.00 32.43 H new ATOM 0 HA TYR A 26 -12.577 -0.421 13.695 1.00 71.44 H new ATOM 0 HB2 TYR A 26 -13.882 1.262 14.865 1.00 33.21 H new ATOM 0 HB3 TYR A 26 -15.329 0.829 13.975 1.00 33.21 H new ATOM 0 HD1 TYR A 26 -12.854 -0.522 16.440 1.00 62.05 H new ATOM 0 HD2 TYR A 26 -16.759 -0.905 14.766 1.00 32.41 H new ATOM 0 HE1 TYR A 26 -13.437 -2.184 18.159 1.00 34.50 H new ATOM 0 HE2 TYR A 26 -17.334 -2.557 16.480 1.00 42.14 H new ATOM 0 HH TYR A 26 -16.682 -3.694 18.238 1.00 61.15 H new ATOM 195 N ASP A 27 -15.124 -1.199 11.747 1.00 71.53 N ATOM 196 CA ASP A 27 -15.849 -2.314 11.141 1.00 44.12 C ATOM 197 C ASP A 27 -14.875 -3.203 10.384 1.00 24.40 C ATOM 198 O ASP A 27 -14.916 -4.446 10.471 1.00 72.45 O ATOM 199 CB ASP A 27 -16.958 -1.795 10.213 1.00 30.24 C ATOM 200 CG ASP A 27 -17.895 -2.890 9.757 1.00 61.25 C ATOM 201 OD1 ASP A 27 -17.894 -3.257 8.576 1.00 22.21 O ATOM 202 OD2 ASP A 27 -18.658 -3.421 10.597 1.00 24.41 O ATOM 0 H ASP A 27 -15.402 -0.281 11.399 1.00 71.53 H new ATOM 0 HA ASP A 27 -16.323 -2.903 11.926 1.00 44.12 H new ATOM 0 HB2 ASP A 27 -17.530 -1.025 10.732 1.00 30.24 H new ATOM 0 HB3 ASP A 27 -16.505 -1.323 9.341 1.00 30.24 H new ATOM 207 N PHE A 28 -13.953 -2.543 9.718 1.00 3.34 N ATOM 208 CA PHE A 28 -12.881 -3.163 8.977 1.00 32.03 C ATOM 209 C PHE A 28 -11.994 -3.968 9.929 1.00 25.01 C ATOM 210 O PHE A 28 -11.818 -5.181 9.766 1.00 4.13 O ATOM 211 CB PHE A 28 -12.091 -2.016 8.296 1.00 73.44 C ATOM 212 CG PHE A 28 -10.799 -2.364 7.608 1.00 12.20 C ATOM 213 CD1 PHE A 28 -9.647 -2.555 8.341 1.00 32.30 C ATOM 214 CD2 PHE A 28 -10.730 -2.457 6.236 1.00 23.12 C ATOM 215 CE1 PHE A 28 -8.455 -2.838 7.725 1.00 62.45 C ATOM 216 CE2 PHE A 28 -9.533 -2.744 5.605 1.00 72.13 C ATOM 217 CZ PHE A 28 -8.395 -2.935 6.352 1.00 53.43 C ATOM 0 H PHE A 28 -13.930 -1.524 9.677 1.00 3.34 H new ATOM 0 HA PHE A 28 -13.255 -3.858 8.225 1.00 32.03 H new ATOM 0 HB2 PHE A 28 -12.746 -1.549 7.561 1.00 73.44 H new ATOM 0 HB3 PHE A 28 -11.874 -1.263 9.054 1.00 73.44 H new ATOM 0 HD1 PHE A 28 -9.684 -2.481 9.418 1.00 32.30 H new ATOM 0 HD2 PHE A 28 -11.621 -2.304 5.645 1.00 23.12 H new ATOM 0 HE1 PHE A 28 -7.563 -2.985 8.316 1.00 62.45 H new ATOM 0 HE2 PHE A 28 -9.493 -2.818 4.528 1.00 72.13 H new ATOM 0 HZ PHE A 28 -7.458 -3.160 5.865 1.00 53.43 H new ATOM 227 N ILE A 29 -11.496 -3.306 10.951 1.00 64.34 N ATOM 228 CA ILE A 29 -10.615 -3.938 11.906 1.00 73.33 C ATOM 229 C ILE A 29 -11.305 -5.053 12.657 1.00 61.33 C ATOM 230 O ILE A 29 -10.699 -6.089 12.927 1.00 14.31 O ATOM 231 CB ILE A 29 -9.937 -2.898 12.847 1.00 32.22 C ATOM 232 CG1 ILE A 29 -8.816 -2.158 12.098 1.00 32.30 C ATOM 233 CG2 ILE A 29 -9.419 -3.504 14.157 1.00 34.31 C ATOM 234 CD1 ILE A 29 -7.726 -3.075 11.548 1.00 14.34 C ATOM 0 H ILE A 29 -11.689 -2.323 11.142 1.00 64.34 H new ATOM 0 HA ILE A 29 -9.808 -4.407 11.343 1.00 73.33 H new ATOM 0 HB ILE A 29 -10.710 -2.186 13.137 1.00 32.22 H new ATOM 0 HG12 ILE A 29 -9.254 -1.596 11.273 1.00 32.30 H new ATOM 0 HG13 ILE A 29 -8.360 -1.432 12.772 1.00 32.30 H new ATOM 0 HG21 ILE A 29 -8.959 -2.723 14.763 1.00 34.31 H new ATOM 0 HG22 ILE A 29 -10.250 -3.947 14.706 1.00 34.31 H new ATOM 0 HG23 ILE A 29 -8.679 -4.273 13.935 1.00 34.31 H new ATOM 0 HD11 ILE A 29 -6.973 -2.478 11.034 1.00 14.34 H new ATOM 0 HD12 ILE A 29 -7.259 -3.619 12.369 1.00 14.34 H new ATOM 0 HD13 ILE A 29 -8.167 -3.784 10.847 1.00 14.34 H new ATOM 246 N ASP A 30 -12.573 -4.882 12.932 1.00 34.33 N ATOM 247 CA ASP A 30 -13.328 -5.896 13.619 1.00 20.21 C ATOM 248 C ASP A 30 -13.446 -7.139 12.783 1.00 44.03 C ATOM 249 O ASP A 30 -13.167 -8.224 13.271 1.00 33.55 O ATOM 250 CB ASP A 30 -14.704 -5.416 14.070 1.00 74.25 C ATOM 251 CG ASP A 30 -15.436 -6.477 14.864 1.00 63.10 C ATOM 252 OD1 ASP A 30 -16.529 -6.929 14.442 1.00 41.11 O ATOM 253 OD2 ASP A 30 -14.924 -6.889 15.925 1.00 3.20 O ATOM 0 H ASP A 30 -13.105 -4.046 12.689 1.00 34.33 H new ATOM 0 HA ASP A 30 -12.769 -6.132 14.525 1.00 20.21 H new ATOM 0 HB2 ASP A 30 -14.595 -4.518 14.678 1.00 74.25 H new ATOM 0 HB3 ASP A 30 -15.297 -5.141 13.198 1.00 74.25 H new ATOM 258 N LEU A 31 -13.750 -6.990 11.493 1.00 31.01 N ATOM 259 CA LEU A 31 -13.911 -8.164 10.661 1.00 12.42 C ATOM 260 C LEU A 31 -12.555 -8.844 10.419 1.00 23.31 C ATOM 261 O LEU A 31 -12.479 -10.061 10.228 1.00 61.55 O ATOM 262 CB LEU A 31 -14.676 -7.835 9.359 1.00 55.34 C ATOM 263 CG LEU A 31 -14.005 -6.905 8.351 1.00 71.05 C ATOM 264 CD1 LEU A 31 -13.013 -7.652 7.475 1.00 14.12 C ATOM 265 CD2 LEU A 31 -15.039 -6.169 7.527 1.00 51.23 C ATOM 0 H LEU A 31 -13.884 -6.096 11.021 1.00 31.01 H new ATOM 0 HA LEU A 31 -14.532 -8.887 11.190 1.00 12.42 H new ATOM 0 HB2 LEU A 31 -14.894 -8.775 8.853 1.00 55.34 H new ATOM 0 HB3 LEU A 31 -15.633 -7.393 9.636 1.00 55.34 H new ATOM 0 HG LEU A 31 -13.436 -6.161 8.909 1.00 71.05 H new ATOM 0 HD11 LEU A 31 -12.555 -6.958 6.770 1.00 14.12 H new ATOM 0 HD12 LEU A 31 -12.239 -8.097 8.100 1.00 14.12 H new ATOM 0 HD13 LEU A 31 -13.532 -8.437 6.926 1.00 14.12 H new ATOM 0 HD21 LEU A 31 -14.538 -5.512 6.816 1.00 51.23 H new ATOM 0 HD22 LEU A 31 -15.653 -6.889 6.986 1.00 51.23 H new ATOM 0 HD23 LEU A 31 -15.673 -5.575 8.185 1.00 51.23 H new ATOM 277 N VAL A 32 -11.481 -8.050 10.462 1.00 72.50 N ATOM 278 CA VAL A 32 -10.138 -8.580 10.331 1.00 31.11 C ATOM 279 C VAL A 32 -9.720 -9.327 11.631 1.00 42.52 C ATOM 280 O VAL A 32 -8.852 -10.210 11.612 1.00 43.34 O ATOM 281 CB VAL A 32 -9.119 -7.436 9.982 1.00 2.21 C ATOM 282 CG1 VAL A 32 -7.681 -7.934 9.971 1.00 62.15 C ATOM 283 CG2 VAL A 32 -9.445 -6.834 8.621 1.00 31.22 C ATOM 0 H VAL A 32 -11.525 -7.039 10.587 1.00 72.50 H new ATOM 0 HA VAL A 32 -10.127 -9.297 9.510 1.00 31.11 H new ATOM 0 HB VAL A 32 -9.214 -6.679 10.760 1.00 2.21 H new ATOM 0 HG11 VAL A 32 -7.012 -7.109 9.725 1.00 62.15 H new ATOM 0 HG12 VAL A 32 -7.425 -8.328 10.954 1.00 62.15 H new ATOM 0 HG13 VAL A 32 -7.575 -8.722 9.226 1.00 62.15 H new ATOM 0 HG21 VAL A 32 -8.731 -6.043 8.393 1.00 31.22 H new ATOM 0 HG22 VAL A 32 -9.385 -7.609 7.857 1.00 31.22 H new ATOM 0 HG23 VAL A 32 -10.453 -6.419 8.639 1.00 31.22 H new ATOM 293 N THR A 33 -10.381 -9.021 12.739 1.00 21.11 N ATOM 294 CA THR A 33 -10.024 -9.618 14.017 1.00 71.24 C ATOM 295 C THR A 33 -11.152 -10.500 14.514 1.00 13.13 C ATOM 296 O THR A 33 -11.226 -10.855 15.702 1.00 1.04 O ATOM 297 CB THR A 33 -9.710 -8.520 15.058 1.00 4.24 C ATOM 298 OG1 THR A 33 -10.800 -7.577 15.115 1.00 4.44 O ATOM 299 CG2 THR A 33 -8.430 -7.784 14.689 1.00 63.21 C ATOM 0 H THR A 33 -11.163 -8.367 12.778 1.00 21.11 H new ATOM 0 HA THR A 33 -9.132 -10.229 13.877 1.00 71.24 H new ATOM 0 HB THR A 33 -9.579 -8.994 16.031 1.00 4.24 H new ATOM 0 HG1 THR A 33 -10.593 -6.803 14.550 1.00 4.44 H new ATOM 0 HG21 THR A 33 -8.225 -7.015 15.433 1.00 63.21 H new ATOM 0 HG22 THR A 33 -7.600 -8.490 14.659 1.00 63.21 H new ATOM 0 HG23 THR A 33 -8.547 -7.319 13.710 1.00 63.21 H new ATOM 307 N LYS A 34 -12.021 -10.861 13.600 1.00 51.33 N ATOM 308 CA LYS A 34 -13.184 -11.643 13.917 1.00 64.33 C ATOM 309 C LYS A 34 -12.781 -13.092 14.232 1.00 12.15 C ATOM 310 O LYS A 34 -11.665 -13.518 13.894 1.00 12.32 O ATOM 311 CB LYS A 34 -14.168 -11.579 12.746 1.00 1.22 C ATOM 312 CG LYS A 34 -15.636 -11.603 13.146 1.00 10.31 C ATOM 313 CD LYS A 34 -15.978 -10.407 14.029 1.00 64.21 C ATOM 314 CE LYS A 34 -17.461 -10.315 14.313 1.00 65.35 C ATOM 315 NZ LYS A 34 -17.762 -9.220 15.252 1.00 4.05 N ATOM 0 H LYS A 34 -11.938 -10.618 12.613 1.00 51.33 H new ATOM 0 HA LYS A 34 -13.671 -11.238 14.804 1.00 64.33 H new ATOM 0 HB2 LYS A 34 -13.976 -10.670 12.177 1.00 1.22 H new ATOM 0 HB3 LYS A 34 -13.973 -12.419 12.079 1.00 1.22 H new ATOM 0 HG2 LYS A 34 -16.261 -11.592 12.253 1.00 10.31 H new ATOM 0 HG3 LYS A 34 -15.857 -12.528 13.678 1.00 10.31 H new ATOM 0 HD2 LYS A 34 -15.433 -10.484 14.970 1.00 64.21 H new ATOM 0 HD3 LYS A 34 -15.645 -9.490 13.542 1.00 64.21 H new ATOM 0 HE2 LYS A 34 -18.002 -10.156 13.380 1.00 65.35 H new ATOM 0 HE3 LYS A 34 -17.813 -11.259 14.728 1.00 65.35 H new ATOM 0 HZ1 LYS A 34 -18.712 -8.845 15.055 1.00 4.05 H new ATOM 0 HZ2 LYS A 34 -17.727 -9.579 16.227 1.00 4.05 H new ATOM 0 HZ3 LYS A 34 -17.060 -8.461 15.137 1.00 4.05 H new ATOM 329 N SER A 35 -13.676 -13.816 14.892 1.00 72.42 N ATOM 330 CA SER A 35 -13.473 -15.203 15.310 1.00 14.22 C ATOM 331 C SER A 35 -12.927 -16.106 14.185 1.00 74.14 C ATOM 332 O SER A 35 -13.294 -15.949 13.019 1.00 1.34 O ATOM 333 CB SER A 35 -14.796 -15.742 15.840 1.00 74.12 C ATOM 334 OG SER A 35 -15.266 -14.921 16.910 1.00 62.12 O ATOM 0 H SER A 35 -14.589 -13.448 15.160 1.00 72.42 H new ATOM 0 HA SER A 35 -12.711 -15.214 16.089 1.00 14.22 H new ATOM 0 HB2 SER A 35 -15.535 -15.767 15.039 1.00 74.12 H new ATOM 0 HB3 SER A 35 -14.667 -16.767 16.187 1.00 74.12 H new ATOM 0 HG SER A 35 -16.117 -15.274 17.243 1.00 62.12 H new ATOM 340 N PRO A 36 -12.058 -17.090 14.544 1.00 43.22 N ATOM 341 CA PRO A 36 -11.414 -18.003 13.578 1.00 20.21 C ATOM 342 C PRO A 36 -12.410 -18.910 12.861 1.00 10.54 C ATOM 343 O PRO A 36 -12.045 -19.636 11.948 1.00 71.12 O ATOM 344 CB PRO A 36 -10.450 -18.830 14.437 1.00 33.23 C ATOM 345 CG PRO A 36 -10.987 -18.734 15.819 1.00 25.42 C ATOM 346 CD PRO A 36 -11.622 -17.381 15.927 1.00 52.01 C ATOM 0 HA PRO A 36 -10.920 -17.450 12.779 1.00 20.21 H new ATOM 0 HB2 PRO A 36 -10.411 -19.866 14.100 1.00 33.23 H new ATOM 0 HB3 PRO A 36 -9.435 -18.437 14.380 1.00 33.23 H new ATOM 0 HG2 PRO A 36 -11.715 -19.522 16.009 1.00 25.42 H new ATOM 0 HG3 PRO A 36 -10.191 -18.851 16.555 1.00 25.42 H new ATOM 0 HD2 PRO A 36 -12.464 -17.387 16.620 1.00 52.01 H new ATOM 0 HD3 PRO A 36 -10.916 -16.634 16.290 1.00 52.01 H new ATOM 354 N ASP A 37 -13.664 -18.878 13.300 1.00 13.34 N ATOM 355 CA ASP A 37 -14.730 -19.623 12.618 1.00 41.31 C ATOM 356 C ASP A 37 -14.976 -19.030 11.240 1.00 63.41 C ATOM 357 O ASP A 37 -15.401 -19.721 10.317 1.00 33.32 O ATOM 358 CB ASP A 37 -16.032 -19.630 13.432 1.00 14.25 C ATOM 359 CG ASP A 37 -17.180 -20.325 12.707 1.00 0.22 C ATOM 360 OD1 ASP A 37 -17.139 -21.556 12.515 1.00 11.01 O ATOM 361 OD2 ASP A 37 -18.166 -19.654 12.351 1.00 73.41 O ATOM 0 H ASP A 37 -13.971 -18.351 14.117 1.00 13.34 H new ATOM 0 HA ASP A 37 -14.401 -20.657 12.516 1.00 41.31 H new ATOM 0 HB2 ASP A 37 -15.856 -20.128 14.385 1.00 14.25 H new ATOM 0 HB3 ASP A 37 -16.320 -18.603 13.657 1.00 14.25 H new ATOM 366 N SER A 38 -14.675 -17.754 11.096 1.00 50.13 N ATOM 367 CA SER A 38 -14.782 -17.094 9.834 1.00 2.32 C ATOM 368 C SER A 38 -13.599 -17.534 8.972 1.00 74.22 C ATOM 369 O SER A 38 -12.452 -17.158 9.231 1.00 64.54 O ATOM 370 CB SER A 38 -14.802 -15.588 10.060 1.00 11.15 C ATOM 371 OG SER A 38 -15.822 -15.262 11.005 1.00 21.52 O ATOM 0 H SER A 38 -14.351 -17.157 11.857 1.00 50.13 H new ATOM 0 HA SER A 38 -15.705 -17.358 9.317 1.00 2.32 H new ATOM 0 HB2 SER A 38 -13.832 -15.251 10.425 1.00 11.15 H new ATOM 0 HB3 SER A 38 -14.985 -15.071 9.118 1.00 11.15 H new ATOM 0 HG SER A 38 -15.834 -14.293 11.152 1.00 21.52 H new ATOM 377 N VAL A 39 -13.898 -18.381 7.997 1.00 4.41 N ATOM 378 CA VAL A 39 -12.903 -19.035 7.151 1.00 34.44 C ATOM 379 C VAL A 39 -11.950 -18.053 6.482 1.00 64.31 C ATOM 380 O VAL A 39 -10.728 -18.177 6.607 1.00 72.21 O ATOM 381 CB VAL A 39 -13.582 -19.906 6.066 1.00 53.42 C ATOM 382 CG1 VAL A 39 -12.552 -20.637 5.202 1.00 75.34 C ATOM 383 CG2 VAL A 39 -14.557 -20.892 6.690 1.00 43.42 C ATOM 0 H VAL A 39 -14.857 -18.639 7.765 1.00 4.41 H new ATOM 0 HA VAL A 39 -12.315 -19.665 7.818 1.00 34.44 H new ATOM 0 HB VAL A 39 -14.142 -19.235 5.415 1.00 53.42 H new ATOM 0 HG11 VAL A 39 -13.067 -21.238 4.452 1.00 75.34 H new ATOM 0 HG12 VAL A 39 -11.911 -19.909 4.706 1.00 75.34 H new ATOM 0 HG13 VAL A 39 -11.944 -21.286 5.832 1.00 75.34 H new ATOM 0 HG21 VAL A 39 -15.020 -21.491 5.906 1.00 43.42 H new ATOM 0 HG22 VAL A 39 -14.022 -21.546 7.379 1.00 43.42 H new ATOM 0 HG23 VAL A 39 -15.329 -20.346 7.233 1.00 43.42 H new ATOM 393 N ASN A 40 -12.483 -17.072 5.811 1.00 63.42 N ATOM 394 CA ASN A 40 -11.646 -16.174 5.071 1.00 4.44 C ATOM 395 C ASN A 40 -11.972 -14.733 5.414 1.00 33.23 C ATOM 396 O ASN A 40 -12.984 -14.186 4.976 1.00 32.24 O ATOM 397 CB ASN A 40 -11.777 -16.456 3.572 1.00 24.13 C ATOM 398 CG ASN A 40 -10.753 -15.724 2.751 1.00 35.23 C ATOM 399 OD1 ASN A 40 -10.993 -14.630 2.262 1.00 43.03 O ATOM 400 ND2 ASN A 40 -9.613 -16.327 2.583 1.00 53.03 N ATOM 0 H ASN A 40 -13.483 -16.875 5.761 1.00 63.42 H new ATOM 0 HA ASN A 40 -10.605 -16.338 5.350 1.00 4.44 H new ATOM 0 HB2 ASN A 40 -11.677 -17.527 3.398 1.00 24.13 H new ATOM 0 HB3 ASN A 40 -12.775 -16.171 3.239 1.00 24.13 H new ATOM 0 HD21 ASN A 40 -8.880 -15.887 2.026 1.00 53.03 H new ATOM 0 HD22 ASN A 40 -9.452 -17.240 3.008 1.00 53.03 H new ATOM 407 N SER A 41 -11.101 -14.117 6.186 1.00 11.42 N ATOM 408 CA SER A 41 -11.319 -12.766 6.688 1.00 11.43 C ATOM 409 C SER A 41 -11.317 -11.776 5.523 1.00 1.35 C ATOM 410 O SER A 41 -12.097 -10.804 5.498 1.00 54.11 O ATOM 411 CB SER A 41 -10.241 -12.416 7.741 1.00 53.01 C ATOM 412 OG SER A 41 -10.457 -11.145 8.344 1.00 33.24 O ATOM 0 H SER A 41 -10.220 -14.534 6.486 1.00 11.42 H new ATOM 0 HA SER A 41 -12.292 -12.705 7.176 1.00 11.43 H new ATOM 0 HB2 SER A 41 -10.231 -13.184 8.514 1.00 53.01 H new ATOM 0 HB3 SER A 41 -9.259 -12.427 7.268 1.00 53.01 H new ATOM 0 HG SER A 41 -11.240 -11.190 8.931 1.00 33.24 H new ATOM 418 N GLU A 42 -10.508 -12.081 4.519 1.00 35.12 N ATOM 419 CA GLU A 42 -10.396 -11.262 3.337 1.00 31.43 C ATOM 420 C GLU A 42 -11.720 -11.265 2.566 1.00 1.32 C ATOM 421 O GLU A 42 -12.008 -10.337 1.827 1.00 12.01 O ATOM 422 CB GLU A 42 -9.273 -11.751 2.396 1.00 52.12 C ATOM 423 CG GLU A 42 -7.959 -12.131 3.061 1.00 54.41 C ATOM 424 CD GLU A 42 -7.962 -13.566 3.539 1.00 34.14 C ATOM 425 OE1 GLU A 42 -7.507 -14.449 2.769 1.00 10.12 O ATOM 426 OE2 GLU A 42 -8.443 -13.848 4.671 1.00 25.31 O ATOM 0 H GLU A 42 -9.911 -12.908 4.508 1.00 35.12 H new ATOM 0 HA GLU A 42 -10.152 -10.253 3.670 1.00 31.43 H new ATOM 0 HB2 GLU A 42 -9.641 -12.616 1.844 1.00 52.12 H new ATOM 0 HB3 GLU A 42 -9.073 -10.968 1.665 1.00 52.12 H new ATOM 0 HG2 GLU A 42 -7.140 -11.985 2.356 1.00 54.41 H new ATOM 0 HG3 GLU A 42 -7.775 -11.467 3.906 1.00 54.41 H new ATOM 433 N HIS A 43 -12.530 -12.300 2.768 1.00 40.31 N ATOM 434 CA HIS A 43 -13.798 -12.431 2.077 1.00 53.52 C ATOM 435 C HIS A 43 -14.782 -11.419 2.615 1.00 31.52 C ATOM 436 O HIS A 43 -15.451 -10.698 1.842 1.00 60.12 O ATOM 437 CB HIS A 43 -14.340 -13.867 2.216 1.00 53.32 C ATOM 438 CG HIS A 43 -15.666 -14.107 1.565 1.00 10.01 C ATOM 439 ND1 HIS A 43 -16.859 -14.057 2.237 1.00 11.33 N ATOM 440 CD2 HIS A 43 -15.971 -14.411 0.284 1.00 14.14 C ATOM 441 CE1 HIS A 43 -17.830 -14.323 1.382 1.00 45.32 C ATOM 442 NE2 HIS A 43 -17.349 -14.548 0.169 1.00 10.52 N ATOM 0 H HIS A 43 -12.323 -13.064 3.412 1.00 40.31 H new ATOM 0 HA HIS A 43 -13.650 -12.234 1.015 1.00 53.52 H new ATOM 0 HB2 HIS A 43 -13.612 -14.557 1.789 1.00 53.32 H new ATOM 0 HB3 HIS A 43 -14.424 -14.107 3.276 1.00 53.32 H new ATOM 0 HD1 HIS A 43 -16.977 -13.850 3.229 1.00 11.33 H new ATOM 0 HD2 HIS A 43 -15.259 -14.528 -0.520 1.00 14.14 H new ATOM 0 HE1 HIS A 43 -18.879 -14.353 1.639 1.00 45.32 H new ATOM 450 N GLU A 44 -14.831 -11.318 3.929 1.00 3.55 N ATOM 451 CA GLU A 44 -15.705 -10.401 4.582 1.00 43.11 C ATOM 452 C GLU A 44 -15.202 -9.001 4.320 1.00 44.34 C ATOM 453 O GLU A 44 -15.974 -8.063 4.192 1.00 44.33 O ATOM 454 CB GLU A 44 -15.709 -10.702 6.065 1.00 31.43 C ATOM 455 CG GLU A 44 -15.906 -12.179 6.366 1.00 12.24 C ATOM 456 CD GLU A 44 -17.188 -12.741 5.798 1.00 73.22 C ATOM 457 OE1 GLU A 44 -18.287 -12.389 6.290 1.00 4.14 O ATOM 458 OE2 GLU A 44 -17.117 -13.572 4.871 1.00 32.31 O ATOM 0 H GLU A 44 -14.259 -11.877 4.563 1.00 3.55 H new ATOM 0 HA GLU A 44 -16.724 -10.492 4.206 1.00 43.11 H new ATOM 0 HB2 GLU A 44 -14.767 -10.370 6.501 1.00 31.43 H new ATOM 0 HB3 GLU A 44 -16.502 -10.129 6.545 1.00 31.43 H new ATOM 0 HG2 GLU A 44 -15.062 -12.740 5.964 1.00 12.24 H new ATOM 0 HG3 GLU A 44 -15.901 -12.326 7.446 1.00 12.24 H new ATOM 465 N LEU A 45 -13.893 -8.887 4.193 1.00 21.31 N ATOM 466 CA LEU A 45 -13.265 -7.647 3.876 1.00 63.13 C ATOM 467 C LEU A 45 -13.627 -7.208 2.456 1.00 14.34 C ATOM 468 O LEU A 45 -13.978 -6.057 2.232 1.00 44.31 O ATOM 469 CB LEU A 45 -11.755 -7.761 4.044 1.00 32.04 C ATOM 470 CG LEU A 45 -10.972 -6.498 3.766 1.00 13.52 C ATOM 471 CD1 LEU A 45 -11.479 -5.372 4.640 1.00 11.40 C ATOM 472 CD2 LEU A 45 -9.488 -6.727 3.987 1.00 4.42 C ATOM 0 H LEU A 45 -13.244 -9.665 4.310 1.00 21.31 H new ATOM 0 HA LEU A 45 -13.629 -6.885 4.566 1.00 63.13 H new ATOM 0 HB2 LEU A 45 -11.544 -8.082 5.064 1.00 32.04 H new ATOM 0 HB3 LEU A 45 -11.391 -8.546 3.381 1.00 32.04 H new ATOM 0 HG LEU A 45 -11.116 -6.219 2.722 1.00 13.52 H new ATOM 0 HD11 LEU A 45 -10.909 -4.466 4.433 1.00 11.40 H new ATOM 0 HD12 LEU A 45 -12.533 -5.194 4.429 1.00 11.40 H new ATOM 0 HD13 LEU A 45 -11.360 -5.644 5.689 1.00 11.40 H new ATOM 0 HD21 LEU A 45 -8.943 -5.806 3.781 1.00 4.42 H new ATOM 0 HD22 LEU A 45 -9.316 -7.027 5.021 1.00 4.42 H new ATOM 0 HD23 LEU A 45 -9.137 -7.513 3.318 1.00 4.42 H new ATOM 484 N ALA A 46 -13.571 -8.135 1.515 1.00 41.23 N ATOM 485 CA ALA A 46 -13.920 -7.856 0.127 1.00 54.35 C ATOM 486 C ALA A 46 -15.385 -7.470 0.011 1.00 24.31 C ATOM 487 O ALA A 46 -15.768 -6.661 -0.837 1.00 10.04 O ATOM 488 CB ALA A 46 -13.599 -9.046 -0.766 1.00 4.31 C ATOM 0 H ALA A 46 -13.284 -9.099 1.687 1.00 41.23 H new ATOM 0 HA ALA A 46 -13.318 -7.013 -0.212 1.00 54.35 H new ATOM 0 HB1 ALA A 46 -13.869 -8.811 -1.796 1.00 4.31 H new ATOM 0 HB2 ALA A 46 -12.533 -9.265 -0.711 1.00 4.31 H new ATOM 0 HB3 ALA A 46 -14.165 -9.915 -0.431 1.00 4.31 H new ATOM 494 N HIS A 47 -16.193 -8.037 0.876 1.00 72.31 N ATOM 495 CA HIS A 47 -17.610 -7.718 0.927 1.00 24.10 C ATOM 496 C HIS A 47 -17.784 -6.307 1.533 1.00 73.31 C ATOM 497 O HIS A 47 -18.623 -5.521 1.089 1.00 43.11 O ATOM 498 CB HIS A 47 -18.351 -8.795 1.753 1.00 13.13 C ATOM 499 CG HIS A 47 -19.855 -8.706 1.734 1.00 4.05 C ATOM 500 ND1 HIS A 47 -20.665 -9.517 0.960 1.00 23.23 N ATOM 501 CD2 HIS A 47 -20.692 -7.909 2.437 1.00 11.41 C ATOM 502 CE1 HIS A 47 -21.936 -9.190 1.212 1.00 71.55 C ATOM 503 NE2 HIS A 47 -22.009 -8.216 2.105 1.00 40.31 N ATOM 0 H HIS A 47 -15.894 -8.729 1.563 1.00 72.31 H new ATOM 0 HA HIS A 47 -18.041 -7.715 -0.074 1.00 24.10 H new ATOM 0 HB2 HIS A 47 -18.058 -9.777 1.383 1.00 13.13 H new ATOM 0 HB3 HIS A 47 -18.014 -8.731 2.787 1.00 13.13 H new ATOM 0 HD2 HIS A 47 -20.387 -7.153 3.145 1.00 11.41 H new ATOM 0 HE1 HIS A 47 -22.791 -9.659 0.748 1.00 71.55 H new ATOM 0 HE2 HIS A 47 -22.855 -7.781 2.474 1.00 40.31 H new ATOM 511 N PHE A 48 -16.944 -5.992 2.510 1.00 75.44 N ATOM 512 CA PHE A 48 -16.928 -4.701 3.179 1.00 12.31 C ATOM 513 C PHE A 48 -16.569 -3.585 2.207 1.00 23.22 C ATOM 514 O PHE A 48 -17.209 -2.529 2.188 1.00 2.30 O ATOM 515 CB PHE A 48 -15.919 -4.759 4.342 1.00 43.24 C ATOM 516 CG PHE A 48 -15.513 -3.436 4.923 1.00 52.13 C ATOM 517 CD1 PHE A 48 -14.364 -2.806 4.478 1.00 24.11 C ATOM 518 CD2 PHE A 48 -16.261 -2.831 5.904 1.00 52.13 C ATOM 519 CE1 PHE A 48 -13.973 -1.597 4.999 1.00 33.13 C ATOM 520 CE2 PHE A 48 -15.877 -1.620 6.434 1.00 41.11 C ATOM 521 CZ PHE A 48 -14.731 -1.001 5.978 1.00 33.13 C ATOM 0 H PHE A 48 -16.242 -6.640 2.865 1.00 75.44 H new ATOM 0 HA PHE A 48 -17.923 -4.483 3.568 1.00 12.31 H new ATOM 0 HB2 PHE A 48 -16.346 -5.368 5.138 1.00 43.24 H new ATOM 0 HB3 PHE A 48 -15.022 -5.272 3.995 1.00 43.24 H new ATOM 0 HD1 PHE A 48 -13.766 -3.272 3.709 1.00 24.11 H new ATOM 0 HD2 PHE A 48 -17.160 -3.311 6.263 1.00 52.13 H new ATOM 0 HE1 PHE A 48 -13.074 -1.117 4.641 1.00 33.13 H new ATOM 0 HE2 PHE A 48 -16.472 -1.155 7.206 1.00 41.11 H new ATOM 0 HZ PHE A 48 -14.430 -0.049 6.390 1.00 33.13 H new ATOM 531 N LEU A 49 -15.564 -3.834 1.391 1.00 44.32 N ATOM 532 CA LEU A 49 -15.075 -2.843 0.458 1.00 45.32 C ATOM 533 C LEU A 49 -15.878 -2.838 -0.836 1.00 32.31 C ATOM 534 O LEU A 49 -15.529 -2.157 -1.773 1.00 25.02 O ATOM 535 CB LEU A 49 -13.565 -3.026 0.214 1.00 53.45 C ATOM 536 CG LEU A 49 -13.124 -4.337 -0.438 1.00 15.35 C ATOM 537 CD1 LEU A 49 -13.000 -4.215 -1.946 1.00 31.24 C ATOM 538 CD2 LEU A 49 -11.852 -4.837 0.181 1.00 30.00 C ATOM 0 H LEU A 49 -15.067 -4.724 1.357 1.00 44.32 H new ATOM 0 HA LEU A 49 -15.216 -1.859 0.904 1.00 45.32 H new ATOM 0 HB2 LEU A 49 -13.220 -2.203 -0.412 1.00 53.45 H new ATOM 0 HB3 LEU A 49 -13.053 -2.934 1.172 1.00 53.45 H new ATOM 0 HG LEU A 49 -13.905 -5.074 -0.250 1.00 15.35 H new ATOM 0 HD11 LEU A 49 -12.684 -5.171 -2.364 1.00 31.24 H new ATOM 0 HD12 LEU A 49 -13.965 -3.935 -2.369 1.00 31.24 H new ATOM 0 HD13 LEU A 49 -12.262 -3.451 -2.190 1.00 31.24 H new ATOM 0 HD21 LEU A 49 -11.557 -5.771 -0.298 1.00 30.00 H new ATOM 0 HD22 LEU A 49 -11.065 -4.095 0.046 1.00 30.00 H new ATOM 0 HD23 LEU A 49 -12.009 -5.009 1.246 1.00 30.00 H new ATOM 550 N GLY A 50 -16.950 -3.608 -0.861 1.00 3.40 N ATOM 551 CA GLY A 50 -17.889 -3.613 -1.999 1.00 15.44 C ATOM 552 C GLY A 50 -18.296 -2.188 -2.447 1.00 70.51 C ATOM 553 O GLY A 50 -18.105 -1.825 -3.592 1.00 51.31 O ATOM 0 H GLY A 50 -17.205 -4.247 -0.107 1.00 3.40 H new ATOM 0 HA2 GLY A 50 -17.432 -4.136 -2.839 1.00 15.44 H new ATOM 0 HA3 GLY A 50 -18.783 -4.172 -1.724 1.00 15.44 H new ATOM 557 N PRO A 51 -18.861 -1.360 -1.554 1.00 53.25 N ATOM 558 CA PRO A 51 -19.181 0.043 -1.851 1.00 70.43 C ATOM 559 C PRO A 51 -17.933 0.957 -1.825 1.00 50.40 C ATOM 560 O PRO A 51 -18.024 2.157 -2.087 1.00 42.45 O ATOM 561 CB PRO A 51 -20.156 0.452 -0.723 1.00 0.22 C ATOM 562 CG PRO A 51 -20.482 -0.811 0.005 1.00 31.02 C ATOM 563 CD PRO A 51 -19.315 -1.721 -0.201 1.00 55.03 C ATOM 0 HA PRO A 51 -19.597 0.148 -2.853 1.00 70.43 H new ATOM 0 HB2 PRO A 51 -19.699 1.182 -0.055 1.00 0.22 H new ATOM 0 HB3 PRO A 51 -21.056 0.913 -1.131 1.00 0.22 H new ATOM 0 HG2 PRO A 51 -20.644 -0.619 1.066 1.00 31.02 H new ATOM 0 HG3 PRO A 51 -21.398 -1.258 -0.381 1.00 31.02 H new ATOM 0 HD2 PRO A 51 -18.537 -1.558 0.545 1.00 55.03 H new ATOM 0 HD3 PRO A 51 -19.603 -2.770 -0.137 1.00 55.03 H new ATOM 571 N HIS A 52 -16.782 0.394 -1.479 1.00 71.35 N ATOM 572 CA HIS A 52 -15.589 1.188 -1.189 1.00 2.11 C ATOM 573 C HIS A 52 -14.401 0.739 -2.033 1.00 3.42 C ATOM 574 O HIS A 52 -13.256 0.897 -1.612 1.00 35.45 O ATOM 575 CB HIS A 52 -15.222 1.072 0.311 1.00 61.12 C ATOM 576 CG HIS A 52 -16.310 1.489 1.263 1.00 14.51 C ATOM 577 ND1 HIS A 52 -16.526 2.782 1.667 1.00 74.12 N ATOM 578 CD2 HIS A 52 -17.263 0.750 1.876 1.00 64.23 C ATOM 579 CE1 HIS A 52 -17.574 2.796 2.486 1.00 51.15 C ATOM 580 NE2 HIS A 52 -18.063 1.584 2.646 1.00 33.13 N ATOM 0 H HIS A 52 -16.647 -0.613 -1.391 1.00 71.35 H new ATOM 0 HA HIS A 52 -15.816 2.225 -1.435 1.00 2.11 H new ATOM 0 HB2 HIS A 52 -14.949 0.039 0.524 1.00 61.12 H new ATOM 0 HB3 HIS A 52 -14.339 1.681 0.502 1.00 61.12 H new ATOM 0 HD1 HIS A 52 -15.976 3.594 1.387 1.00 74.12 H new ATOM 0 HD2 HIS A 52 -17.383 -0.319 1.782 1.00 64.23 H new ATOM 0 HE1 HIS A 52 -17.971 3.683 2.957 1.00 51.15 H new ATOM 588 N ASP A 53 -14.688 0.197 -3.222 1.00 43.43 N ATOM 589 CA ASP A 53 -13.664 -0.278 -4.161 1.00 0.10 C ATOM 590 C ASP A 53 -12.667 0.834 -4.518 1.00 32.32 C ATOM 591 O ASP A 53 -13.039 1.829 -5.158 1.00 13.44 O ATOM 592 CB ASP A 53 -14.310 -0.725 -5.466 1.00 15.11 C ATOM 593 CG ASP A 53 -15.017 -2.053 -5.474 1.00 40.13 C ATOM 594 OD1 ASP A 53 -14.384 -3.103 -5.232 1.00 64.12 O ATOM 595 OD2 ASP A 53 -16.209 -2.072 -5.850 1.00 21.23 O ATOM 0 H ASP A 53 -15.642 0.075 -3.562 1.00 43.43 H new ATOM 0 HA ASP A 53 -13.148 -1.103 -3.669 1.00 0.10 H new ATOM 0 HB2 ASP A 53 -15.027 0.039 -5.765 1.00 15.11 H new ATOM 0 HB3 ASP A 53 -13.535 -0.752 -6.232 1.00 15.11 H new ATOM 600 N PRO A 54 -11.405 0.696 -4.119 1.00 3.23 N ATOM 601 CA PRO A 54 -10.375 1.672 -4.408 1.00 24.44 C ATOM 602 C PRO A 54 -9.465 1.228 -5.583 1.00 70.11 C ATOM 603 O PRO A 54 -9.816 0.326 -6.358 1.00 23.21 O ATOM 604 CB PRO A 54 -9.597 1.648 -3.096 1.00 43.51 C ATOM 605 CG PRO A 54 -9.652 0.214 -2.643 1.00 40.02 C ATOM 606 CD PRO A 54 -10.868 -0.409 -3.302 1.00 34.41 C ATOM 0 HA PRO A 54 -10.760 2.646 -4.710 1.00 24.44 H new ATOM 0 HB2 PRO A 54 -8.568 1.978 -3.240 1.00 43.51 H new ATOM 0 HB3 PRO A 54 -10.045 2.313 -2.358 1.00 43.51 H new ATOM 0 HG2 PRO A 54 -8.744 -0.316 -2.929 1.00 40.02 H new ATOM 0 HG3 PRO A 54 -9.728 0.154 -1.557 1.00 40.02 H new ATOM 0 HD2 PRO A 54 -10.599 -1.270 -3.914 1.00 34.41 H new ATOM 0 HD3 PRO A 54 -11.593 -0.756 -2.566 1.00 34.41 H new ATOM 614 N GLU A 55 -8.320 1.875 -5.727 1.00 33.24 N ATOM 615 CA GLU A 55 -7.320 1.459 -6.695 1.00 41.42 C ATOM 616 C GLU A 55 -6.414 0.512 -6.002 1.00 72.40 C ATOM 617 O GLU A 55 -5.889 0.828 -4.928 1.00 54.34 O ATOM 618 CB GLU A 55 -6.540 2.658 -7.227 1.00 60.45 C ATOM 619 CG GLU A 55 -7.405 3.663 -7.955 1.00 63.21 C ATOM 620 CD GLU A 55 -6.609 4.810 -8.524 1.00 42.22 C ATOM 621 OE1 GLU A 55 -6.242 4.760 -9.709 1.00 35.42 O ATOM 622 OE2 GLU A 55 -6.332 5.788 -7.801 1.00 11.52 O ATOM 0 H GLU A 55 -8.059 2.696 -5.181 1.00 33.24 H new ATOM 0 HA GLU A 55 -7.795 0.985 -7.554 1.00 41.42 H new ATOM 0 HB2 GLU A 55 -6.040 3.155 -6.395 1.00 60.45 H new ATOM 0 HB3 GLU A 55 -5.761 2.304 -7.902 1.00 60.45 H new ATOM 0 HG2 GLU A 55 -7.938 3.160 -8.762 1.00 63.21 H new ATOM 0 HG3 GLU A 55 -8.158 4.053 -7.270 1.00 63.21 H new ATOM 629 N ILE A 56 -6.256 -0.651 -6.547 1.00 61.12 N ATOM 630 CA ILE A 56 -5.468 -1.626 -5.876 1.00 13.13 C ATOM 631 C ILE A 56 -4.127 -1.720 -6.538 1.00 0.12 C ATOM 632 O ILE A 56 -4.041 -2.066 -7.651 1.00 1.05 O ATOM 633 CB ILE A 56 -6.153 -3.027 -5.841 1.00 74.13 C ATOM 634 CG1 ILE A 56 -7.530 -2.970 -5.137 1.00 34.12 C ATOM 635 CG2 ILE A 56 -5.259 -4.050 -5.171 1.00 71.23 C ATOM 636 CD1 ILE A 56 -8.723 -2.767 -6.075 1.00 41.25 C ATOM 0 H ILE A 56 -6.655 -0.943 -7.439 1.00 61.12 H new ATOM 0 HA ILE A 56 -5.354 -1.306 -4.840 1.00 13.13 H new ATOM 0 HB ILE A 56 -6.318 -3.334 -6.874 1.00 74.13 H new ATOM 0 HG12 ILE A 56 -7.677 -3.896 -4.581 1.00 34.12 H new ATOM 0 HG13 ILE A 56 -7.517 -2.159 -4.408 1.00 34.12 H new ATOM 0 HG21 ILE A 56 -5.759 -5.018 -5.159 1.00 71.23 H new ATOM 0 HG22 ILE A 56 -4.323 -4.132 -5.723 1.00 71.23 H new ATOM 0 HG23 ILE A 56 -5.051 -3.737 -4.148 1.00 71.23 H new ATOM 0 HD11 ILE A 56 -9.644 -2.740 -5.492 1.00 41.25 H new ATOM 0 HD12 ILE A 56 -8.607 -1.826 -6.613 1.00 41.25 H new ATOM 0 HD13 ILE A 56 -8.769 -3.590 -6.788 1.00 41.25 H new ATOM 648 N TYR A 57 -3.108 -1.359 -5.869 1.00 0.21 N ATOM 649 CA TYR A 57 -1.791 -1.482 -6.419 1.00 41.04 C ATOM 650 C TYR A 57 -1.181 -2.739 -5.931 1.00 71.43 C ATOM 651 O TYR A 57 -1.260 -3.035 -4.783 1.00 21.41 O ATOM 652 CB TYR A 57 -0.912 -0.292 -6.056 1.00 45.53 C ATOM 653 CG TYR A 57 -1.238 0.985 -6.785 1.00 3.34 C ATOM 654 CD1 TYR A 57 -2.391 1.709 -6.506 1.00 21.12 C ATOM 655 CD2 TYR A 57 -0.373 1.477 -7.750 1.00 23.32 C ATOM 656 CE1 TYR A 57 -2.668 2.886 -7.166 1.00 72.04 C ATOM 657 CE2 TYR A 57 -0.641 2.647 -8.416 1.00 60.34 C ATOM 658 CZ TYR A 57 -1.786 3.349 -8.124 1.00 61.13 C ATOM 659 OH TYR A 57 -2.043 4.524 -8.785 1.00 41.30 O ATOM 0 H TYR A 57 -3.145 -0.969 -4.927 1.00 0.21 H new ATOM 0 HA TYR A 57 -1.871 -1.502 -7.506 1.00 41.04 H new ATOM 0 HB2 TYR A 57 -0.994 -0.112 -4.984 1.00 45.53 H new ATOM 0 HB3 TYR A 57 0.127 -0.552 -6.257 1.00 45.53 H new ATOM 0 HD1 TYR A 57 -3.081 1.343 -5.760 1.00 21.12 H new ATOM 0 HD2 TYR A 57 0.529 0.930 -7.982 1.00 23.32 H new ATOM 0 HE1 TYR A 57 -3.565 3.441 -6.937 1.00 72.04 H new ATOM 0 HE2 TYR A 57 0.044 3.014 -9.166 1.00 60.34 H new ATOM 0 HH TYR A 57 -1.322 4.704 -9.424 1.00 41.30 H new ATOM 669 N VAL A 58 -0.625 -3.491 -6.807 1.00 43.14 N ATOM 670 CA VAL A 58 0.056 -4.702 -6.447 1.00 35.24 C ATOM 671 C VAL A 58 1.402 -4.674 -7.091 1.00 13.13 C ATOM 672 O VAL A 58 1.507 -4.644 -8.314 1.00 12.20 O ATOM 673 CB VAL A 58 -0.732 -5.977 -6.851 1.00 1.42 C ATOM 674 CG1 VAL A 58 0.110 -7.242 -6.678 1.00 14.23 C ATOM 675 CG2 VAL A 58 -1.983 -6.102 -6.017 1.00 63.22 C ATOM 0 H VAL A 58 -0.624 -3.291 -7.807 1.00 43.14 H new ATOM 0 HA VAL A 58 0.148 -4.749 -5.362 1.00 35.24 H new ATOM 0 HB VAL A 58 -0.992 -5.876 -7.905 1.00 1.42 H new ATOM 0 HG11 VAL A 58 -0.477 -8.113 -6.971 1.00 14.23 H new ATOM 0 HG12 VAL A 58 0.999 -7.176 -7.305 1.00 14.23 H new ATOM 0 HG13 VAL A 58 0.409 -7.340 -5.634 1.00 14.23 H new ATOM 0 HG21 VAL A 58 -2.527 -7.000 -6.310 1.00 63.22 H new ATOM 0 HG22 VAL A 58 -1.713 -6.169 -4.963 1.00 63.22 H new ATOM 0 HG23 VAL A 58 -2.614 -5.228 -6.175 1.00 63.22 H new ATOM 685 N ASN A 59 2.421 -4.581 -6.256 1.00 61.30 N ATOM 686 CA ASN A 59 3.836 -4.492 -6.682 1.00 52.53 C ATOM 687 C ASN A 59 4.080 -3.222 -7.501 1.00 23.24 C ATOM 688 O ASN A 59 5.046 -3.113 -8.264 1.00 70.03 O ATOM 689 CB ASN A 59 4.267 -5.754 -7.459 1.00 32.54 C ATOM 690 CG ASN A 59 4.190 -7.016 -6.615 1.00 71.42 C ATOM 691 OD1 ASN A 59 4.374 -6.985 -5.387 1.00 73.03 O ATOM 692 ND2 ASN A 59 3.912 -8.124 -7.244 1.00 73.23 N ATOM 0 H ASN A 59 2.303 -4.564 -5.243 1.00 61.30 H new ATOM 0 HA ASN A 59 4.454 -4.435 -5.786 1.00 52.53 H new ATOM 0 HB2 ASN A 59 3.632 -5.870 -8.337 1.00 32.54 H new ATOM 0 HB3 ASN A 59 5.288 -5.624 -7.819 1.00 32.54 H new ATOM 0 HD21 ASN A 59 3.840 -9.000 -6.726 1.00 73.23 H new ATOM 0 HD22 ASN A 59 3.767 -8.115 -8.254 1.00 73.23 H new ATOM 699 N GLY A 60 3.199 -2.248 -7.305 1.00 21.20 N ATOM 700 CA GLY A 60 3.290 -0.989 -8.005 1.00 4.34 C ATOM 701 C GLY A 60 2.429 -0.964 -9.252 1.00 24.23 C ATOM 702 O GLY A 60 2.348 0.047 -9.941 1.00 5.42 O ATOM 0 H GLY A 60 2.411 -2.315 -6.661 1.00 21.20 H new ATOM 0 HA2 GLY A 60 2.985 -0.182 -7.339 1.00 4.34 H new ATOM 0 HA3 GLY A 60 4.328 -0.802 -8.279 1.00 4.34 H new ATOM 706 N LYS A 61 1.783 -2.065 -9.541 1.00 34.23 N ATOM 707 CA LYS A 61 0.947 -2.166 -10.704 1.00 31.14 C ATOM 708 C LYS A 61 -0.475 -1.946 -10.282 1.00 33.00 C ATOM 709 O LYS A 61 -0.949 -2.600 -9.350 1.00 25.04 O ATOM 710 CB LYS A 61 1.100 -3.540 -11.355 1.00 60.33 C ATOM 711 CG LYS A 61 2.520 -3.887 -11.773 1.00 65.15 C ATOM 712 CD LYS A 61 3.014 -3.009 -12.909 1.00 30.15 C ATOM 713 CE LYS A 61 4.451 -3.356 -13.267 1.00 14.43 C ATOM 714 NZ LYS A 61 4.918 -2.646 -14.472 1.00 31.45 N ATOM 0 H LYS A 61 1.823 -2.913 -8.976 1.00 34.23 H new ATOM 0 HA LYS A 61 1.240 -1.414 -11.437 1.00 31.14 H new ATOM 0 HB2 LYS A 61 0.744 -4.299 -10.658 1.00 60.33 H new ATOM 0 HB3 LYS A 61 0.455 -3.586 -12.233 1.00 60.33 H new ATOM 0 HG2 LYS A 61 3.186 -3.779 -10.917 1.00 65.15 H new ATOM 0 HG3 LYS A 61 2.562 -4.932 -12.079 1.00 65.15 H new ATOM 0 HD2 LYS A 61 2.374 -3.140 -13.782 1.00 30.15 H new ATOM 0 HD3 LYS A 61 2.949 -1.960 -12.620 1.00 30.15 H new ATOM 0 HE2 LYS A 61 5.101 -3.108 -12.428 1.00 14.43 H new ATOM 0 HE3 LYS A 61 4.533 -4.431 -13.428 1.00 14.43 H new ATOM 0 HZ1 LYS A 61 5.902 -2.916 -14.674 1.00 31.45 H new ATOM 0 HZ2 LYS A 61 4.316 -2.901 -15.281 1.00 31.45 H new ATOM 0 HZ3 LYS A 61 4.866 -1.620 -14.312 1.00 31.45 H new ATOM 728 N ILE A 62 -1.133 -1.034 -10.929 1.00 70.40 N ATOM 729 CA ILE A 62 -2.475 -0.692 -10.585 1.00 52.24 C ATOM 730 C ILE A 62 -3.419 -1.782 -11.119 1.00 11.52 C ATOM 731 O ILE A 62 -3.336 -2.210 -12.279 1.00 20.01 O ATOM 732 CB ILE A 62 -2.839 0.767 -11.090 1.00 33.54 C ATOM 733 CG1 ILE A 62 -4.023 1.412 -10.307 1.00 0.02 C ATOM 734 CG2 ILE A 62 -3.103 0.811 -12.590 1.00 21.34 C ATOM 735 CD1 ILE A 62 -5.382 0.774 -10.494 1.00 53.44 C ATOM 0 H ILE A 62 -0.751 -0.505 -11.713 1.00 70.40 H new ATOM 0 HA ILE A 62 -2.591 -0.658 -9.502 1.00 52.24 H new ATOM 0 HB ILE A 62 -1.953 1.368 -10.884 1.00 33.54 H new ATOM 0 HG12 ILE A 62 -3.780 1.393 -9.245 1.00 0.02 H new ATOM 0 HG13 ILE A 62 -4.095 2.460 -10.599 1.00 0.02 H new ATOM 0 HG21 ILE A 62 -3.348 1.831 -12.887 1.00 21.34 H new ATOM 0 HG22 ILE A 62 -2.213 0.481 -13.126 1.00 21.34 H new ATOM 0 HG23 ILE A 62 -3.937 0.153 -12.832 1.00 21.34 H new ATOM 0 HD11 ILE A 62 -6.121 1.311 -9.899 1.00 53.44 H new ATOM 0 HD12 ILE A 62 -5.662 0.817 -11.546 1.00 53.44 H new ATOM 0 HD13 ILE A 62 -5.343 -0.266 -10.171 1.00 53.44 H new ATOM 747 N GLN A 63 -4.224 -2.269 -10.243 1.00 64.32 N ATOM 748 CA GLN A 63 -5.166 -3.299 -10.503 1.00 24.35 C ATOM 749 C GLN A 63 -6.536 -2.708 -10.260 1.00 63.53 C ATOM 750 O GLN A 63 -6.741 -1.927 -9.262 1.00 74.11 O ATOM 751 CB GLN A 63 -4.966 -4.475 -9.520 1.00 40.34 C ATOM 752 CG GLN A 63 -3.527 -4.961 -9.364 1.00 51.10 C ATOM 753 CD GLN A 63 -2.905 -5.465 -10.645 1.00 53.33 C ATOM 754 OE1 GLN A 63 -3.578 -5.993 -11.523 1.00 22.11 O ATOM 755 NE2 GLN A 63 -1.617 -5.305 -10.759 1.00 34.52 N ATOM 0 H GLN A 63 -4.244 -1.943 -9.277 1.00 64.32 H new ATOM 0 HA GLN A 63 -5.048 -3.669 -11.522 1.00 24.35 H new ATOM 0 HB2 GLN A 63 -5.338 -4.175 -8.541 1.00 40.34 H new ATOM 0 HB3 GLN A 63 -5.580 -5.312 -9.852 1.00 40.34 H new ATOM 0 HG2 GLN A 63 -2.919 -4.145 -8.974 1.00 51.10 H new ATOM 0 HG3 GLN A 63 -3.503 -5.759 -8.622 1.00 51.10 H new ATOM 0 HE21 GLN A 63 -1.090 -4.861 -10.007 1.00 34.52 H new ATOM 0 HE22 GLN A 63 -1.136 -5.624 -11.600 1.00 34.52 H new ATOM 764 N THR A 64 -7.455 -3.020 -11.134 1.00 64.33 N ATOM 765 CA THR A 64 -8.790 -2.561 -10.993 1.00 54.32 C ATOM 766 C THR A 64 -9.492 -3.366 -9.893 1.00 22.42 C ATOM 767 O THR A 64 -8.938 -4.355 -9.366 1.00 34.42 O ATOM 768 CB THR A 64 -9.577 -2.607 -12.353 1.00 73.31 C ATOM 769 OG1 THR A 64 -10.851 -1.948 -12.215 1.00 20.34 O ATOM 770 CG2 THR A 64 -9.808 -4.041 -12.827 1.00 34.31 C ATOM 0 H THR A 64 -7.289 -3.598 -11.958 1.00 64.33 H new ATOM 0 HA THR A 64 -8.769 -1.512 -10.698 1.00 54.32 H new ATOM 0 HB THR A 64 -8.967 -2.092 -13.095 1.00 73.31 H new ATOM 0 HG1 THR A 64 -11.331 -1.982 -13.069 1.00 20.34 H new ATOM 0 HG21 THR A 64 -10.355 -4.029 -13.770 1.00 34.31 H new ATOM 0 HG22 THR A 64 -8.848 -4.536 -12.971 1.00 34.31 H new ATOM 0 HG23 THR A 64 -10.387 -4.583 -12.079 1.00 34.31 H new ATOM 778 N THR A 65 -10.686 -2.971 -9.591 1.00 21.53 N ATOM 779 CA THR A 65 -11.473 -3.524 -8.521 1.00 32.32 C ATOM 780 C THR A 65 -11.715 -5.031 -8.773 1.00 4.13 C ATOM 781 O THR A 65 -11.594 -5.882 -7.857 1.00 24.23 O ATOM 782 CB THR A 65 -12.798 -2.716 -8.444 1.00 14.42 C ATOM 783 OG1 THR A 65 -13.518 -2.860 -9.680 1.00 43.43 O ATOM 784 CG2 THR A 65 -12.457 -1.245 -8.309 1.00 34.42 C ATOM 0 H THR A 65 -11.164 -2.226 -10.098 1.00 21.53 H new ATOM 0 HA THR A 65 -10.957 -3.446 -7.564 1.00 32.32 H new ATOM 0 HB THR A 65 -13.390 -3.075 -7.602 1.00 14.42 H new ATOM 0 HG1 THR A 65 -14.355 -2.352 -9.632 1.00 43.43 H new ATOM 0 HG21 THR A 65 -13.376 -0.662 -8.254 1.00 34.42 H new ATOM 0 HG22 THR A 65 -11.873 -1.089 -7.402 1.00 34.42 H new ATOM 0 HG23 THR A 65 -11.876 -0.925 -9.174 1.00 34.42 H new ATOM 792 N THR A 66 -11.978 -5.343 -10.032 1.00 65.42 N ATOM 793 CA THR A 66 -12.185 -6.711 -10.477 1.00 2.43 C ATOM 794 C THR A 66 -10.898 -7.531 -10.325 1.00 41.00 C ATOM 795 O THR A 66 -10.929 -8.633 -9.815 1.00 45.02 O ATOM 796 CB THR A 66 -12.653 -6.746 -11.950 1.00 24.21 C ATOM 797 OG1 THR A 66 -13.862 -5.975 -12.076 1.00 24.25 O ATOM 798 CG2 THR A 66 -12.913 -8.182 -12.415 1.00 32.54 C ATOM 0 H THR A 66 -12.054 -4.651 -10.777 1.00 65.42 H new ATOM 0 HA THR A 66 -12.962 -7.150 -9.851 1.00 2.43 H new ATOM 0 HB THR A 66 -11.866 -6.324 -12.575 1.00 24.21 H new ATOM 0 HG1 THR A 66 -14.164 -5.991 -13.008 1.00 24.25 H new ATOM 0 HG21 THR A 66 -13.241 -8.174 -13.455 1.00 32.54 H new ATOM 0 HG22 THR A 66 -11.996 -8.764 -12.328 1.00 32.54 H new ATOM 0 HG23 THR A 66 -13.688 -8.631 -11.794 1.00 32.54 H new ATOM 806 N ALA A 67 -9.775 -6.953 -10.739 1.00 44.22 N ATOM 807 CA ALA A 67 -8.481 -7.617 -10.684 1.00 54.42 C ATOM 808 C ALA A 67 -8.145 -8.003 -9.255 1.00 41.12 C ATOM 809 O ALA A 67 -7.780 -9.139 -9.001 1.00 64.24 O ATOM 810 CB ALA A 67 -7.399 -6.740 -11.286 1.00 4.11 C ATOM 0 H ALA A 67 -9.738 -6.009 -11.123 1.00 44.22 H new ATOM 0 HA ALA A 67 -8.534 -8.530 -11.277 1.00 54.42 H new ATOM 0 HB1 ALA A 67 -6.441 -7.257 -11.234 1.00 4.11 H new ATOM 0 HB2 ALA A 67 -7.640 -6.527 -12.327 1.00 4.11 H new ATOM 0 HB3 ALA A 67 -7.337 -5.805 -10.730 1.00 4.11 H new ATOM 816 N PHE A 68 -8.301 -7.054 -8.326 1.00 41.42 N ATOM 817 CA PHE A 68 -8.132 -7.327 -6.887 1.00 55.53 C ATOM 818 C PHE A 68 -8.981 -8.494 -6.486 1.00 11.50 C ATOM 819 O PHE A 68 -8.490 -9.456 -5.897 1.00 72.51 O ATOM 820 CB PHE A 68 -8.547 -6.115 -6.064 1.00 52.13 C ATOM 821 CG PHE A 68 -8.751 -6.379 -4.576 1.00 74.11 C ATOM 822 CD1 PHE A 68 -10.036 -6.490 -4.052 1.00 2.23 C ATOM 823 CD2 PHE A 68 -7.679 -6.525 -3.720 1.00 33.44 C ATOM 824 CE1 PHE A 68 -10.236 -6.741 -2.714 1.00 45.43 C ATOM 825 CE2 PHE A 68 -7.875 -6.774 -2.375 1.00 70.23 C ATOM 826 CZ PHE A 68 -9.155 -6.882 -1.872 1.00 14.12 C ATOM 0 H PHE A 68 -8.544 -6.087 -8.541 1.00 41.42 H new ATOM 0 HA PHE A 68 -7.081 -7.550 -6.702 1.00 55.53 H new ATOM 0 HB2 PHE A 68 -7.788 -5.341 -6.179 1.00 52.13 H new ATOM 0 HB3 PHE A 68 -9.474 -5.716 -6.476 1.00 52.13 H new ATOM 0 HD1 PHE A 68 -10.889 -6.377 -4.705 1.00 2.23 H new ATOM 0 HD2 PHE A 68 -6.674 -6.444 -4.106 1.00 33.44 H new ATOM 0 HE1 PHE A 68 -11.240 -6.827 -2.324 1.00 45.43 H new ATOM 0 HE2 PHE A 68 -7.026 -6.884 -1.717 1.00 70.23 H new ATOM 0 HZ PHE A 68 -9.309 -7.077 -0.821 1.00 14.12 H new ATOM 836 N LEU A 69 -10.261 -8.385 -6.796 1.00 22.42 N ATOM 837 CA LEU A 69 -11.226 -9.462 -6.516 1.00 34.12 C ATOM 838 C LEU A 69 -10.751 -10.820 -7.055 1.00 14.13 C ATOM 839 O LEU A 69 -10.855 -11.843 -6.369 1.00 64.11 O ATOM 840 CB LEU A 69 -12.613 -9.108 -7.066 1.00 1.12 C ATOM 841 CG LEU A 69 -13.693 -10.188 -6.952 1.00 3.34 C ATOM 842 CD1 LEU A 69 -14.023 -10.484 -5.503 1.00 31.41 C ATOM 843 CD2 LEU A 69 -14.934 -9.783 -7.725 1.00 2.52 C ATOM 0 H LEU A 69 -10.668 -7.564 -7.243 1.00 22.42 H new ATOM 0 HA LEU A 69 -11.298 -9.556 -5.432 1.00 34.12 H new ATOM 0 HB2 LEU A 69 -12.967 -8.216 -6.549 1.00 1.12 H new ATOM 0 HB3 LEU A 69 -12.505 -8.844 -8.118 1.00 1.12 H new ATOM 0 HG LEU A 69 -13.302 -11.106 -7.392 1.00 3.34 H new ATOM 0 HD11 LEU A 69 -14.793 -11.254 -5.455 1.00 31.41 H new ATOM 0 HD12 LEU A 69 -13.127 -10.834 -4.990 1.00 31.41 H new ATOM 0 HD13 LEU A 69 -14.387 -9.577 -5.020 1.00 31.41 H new ATOM 0 HD21 LEU A 69 -15.691 -10.562 -7.633 1.00 2.52 H new ATOM 0 HD22 LEU A 69 -15.325 -8.848 -7.322 1.00 2.52 H new ATOM 0 HD23 LEU A 69 -14.680 -9.647 -8.776 1.00 2.52 H new ATOM 855 N GLN A 70 -10.219 -10.811 -8.247 1.00 42.24 N ATOM 856 CA GLN A 70 -9.700 -11.986 -8.868 1.00 60.41 C ATOM 857 C GLN A 70 -8.520 -12.548 -8.093 1.00 33.10 C ATOM 858 O GLN A 70 -8.522 -13.717 -7.727 1.00 0.34 O ATOM 859 CB GLN A 70 -9.333 -11.683 -10.310 1.00 41.44 C ATOM 860 CG GLN A 70 -10.534 -11.368 -11.172 1.00 54.10 C ATOM 861 CD GLN A 70 -11.543 -12.489 -11.198 1.00 2.31 C ATOM 862 OE1 GLN A 70 -12.458 -12.548 -10.375 1.00 33.43 O ATOM 863 NE2 GLN A 70 -11.401 -13.369 -12.132 1.00 2.44 N ATOM 0 H GLN A 70 -10.135 -9.970 -8.818 1.00 42.24 H new ATOM 0 HA GLN A 70 -10.471 -12.756 -8.863 1.00 60.41 H new ATOM 0 HB2 GLN A 70 -8.644 -10.839 -10.334 1.00 41.44 H new ATOM 0 HB3 GLN A 70 -8.804 -12.538 -10.732 1.00 41.44 H new ATOM 0 HG2 GLN A 70 -11.014 -10.462 -10.802 1.00 54.10 H new ATOM 0 HG3 GLN A 70 -10.202 -11.160 -12.189 1.00 54.10 H new ATOM 0 HE21 GLN A 70 -10.631 -13.288 -12.796 1.00 2.44 H new ATOM 0 HE22 GLN A 70 -12.059 -14.145 -12.206 1.00 2.44 H new ATOM 872 N PHE A 71 -7.564 -11.698 -7.757 1.00 5.21 N ATOM 873 CA PHE A 71 -6.371 -12.146 -7.041 1.00 11.45 C ATOM 874 C PHE A 71 -6.755 -12.646 -5.652 1.00 60.23 C ATOM 875 O PHE A 71 -6.164 -13.593 -5.119 1.00 34.13 O ATOM 876 CB PHE A 71 -5.321 -11.038 -6.936 1.00 62.40 C ATOM 877 CG PHE A 71 -4.825 -10.516 -8.251 1.00 4.03 C ATOM 878 CD1 PHE A 71 -4.350 -11.376 -9.229 1.00 14.41 C ATOM 879 CD2 PHE A 71 -4.826 -9.159 -8.506 1.00 52.34 C ATOM 880 CE1 PHE A 71 -3.895 -10.885 -10.434 1.00 50.32 C ATOM 881 CE2 PHE A 71 -4.374 -8.664 -9.704 1.00 1.23 C ATOM 882 CZ PHE A 71 -3.910 -9.526 -10.673 1.00 23.41 C ATOM 0 H PHE A 71 -7.586 -10.700 -7.965 1.00 5.21 H new ATOM 0 HA PHE A 71 -5.927 -12.963 -7.610 1.00 11.45 H new ATOM 0 HB2 PHE A 71 -5.743 -10.209 -6.368 1.00 62.40 H new ATOM 0 HB3 PHE A 71 -4.471 -11.415 -6.367 1.00 62.40 H new ATOM 0 HD1 PHE A 71 -4.336 -12.440 -9.045 1.00 14.41 H new ATOM 0 HD2 PHE A 71 -5.188 -8.476 -7.751 1.00 52.34 H new ATOM 0 HE1 PHE A 71 -3.527 -11.563 -11.190 1.00 50.32 H new ATOM 0 HE2 PHE A 71 -4.382 -7.600 -9.887 1.00 1.23 H new ATOM 0 HZ PHE A 71 -3.559 -9.139 -11.618 1.00 23.41 H new ATOM 892 N PHE A 72 -7.751 -12.016 -5.085 1.00 75.51 N ATOM 893 CA PHE A 72 -8.317 -12.417 -3.823 1.00 1.51 C ATOM 894 C PHE A 72 -8.848 -13.843 -3.906 1.00 3.13 C ATOM 895 O PHE A 72 -8.417 -14.711 -3.147 1.00 1.23 O ATOM 896 CB PHE A 72 -9.416 -11.408 -3.397 1.00 25.24 C ATOM 897 CG PHE A 72 -10.519 -11.984 -2.551 1.00 42.55 C ATOM 898 CD1 PHE A 72 -10.344 -12.226 -1.211 1.00 22.24 C ATOM 899 CD2 PHE A 72 -11.740 -12.294 -3.132 1.00 70.33 C ATOM 900 CE1 PHE A 72 -11.364 -12.771 -0.467 1.00 33.44 C ATOM 901 CE2 PHE A 72 -12.759 -12.832 -2.394 1.00 65.54 C ATOM 902 CZ PHE A 72 -12.574 -13.074 -1.062 1.00 65.25 C ATOM 0 H PHE A 72 -8.199 -11.196 -5.494 1.00 75.51 H new ATOM 0 HA PHE A 72 -7.542 -12.409 -3.057 1.00 1.51 H new ATOM 0 HB2 PHE A 72 -8.945 -10.593 -2.847 1.00 25.24 H new ATOM 0 HB3 PHE A 72 -9.857 -10.974 -4.295 1.00 25.24 H new ATOM 0 HD1 PHE A 72 -9.402 -11.988 -0.740 1.00 22.24 H new ATOM 0 HD2 PHE A 72 -11.889 -12.107 -4.185 1.00 70.33 H new ATOM 0 HE1 PHE A 72 -11.219 -12.963 0.586 1.00 33.44 H new ATOM 0 HE2 PHE A 72 -13.704 -13.064 -2.862 1.00 65.54 H new ATOM 0 HZ PHE A 72 -13.373 -13.502 -0.475 1.00 65.25 H new ATOM 912 N ARG A 73 -9.701 -14.100 -4.880 1.00 73.12 N ATOM 913 CA ARG A 73 -10.340 -15.392 -4.996 1.00 34.23 C ATOM 914 C ARG A 73 -9.370 -16.456 -5.504 1.00 30.23 C ATOM 915 O ARG A 73 -9.642 -17.660 -5.410 1.00 51.13 O ATOM 916 CB ARG A 73 -11.624 -15.312 -5.841 1.00 42.45 C ATOM 917 CG ARG A 73 -11.427 -14.896 -7.286 1.00 71.51 C ATOM 918 CD ARG A 73 -12.752 -14.743 -8.011 1.00 32.13 C ATOM 919 NE ARG A 73 -13.546 -15.977 -8.002 1.00 64.25 N ATOM 920 CZ ARG A 73 -14.214 -16.477 -9.051 1.00 44.23 C ATOM 921 NH1 ARG A 73 -14.212 -15.841 -10.219 1.00 32.53 N ATOM 922 NH2 ARG A 73 -14.895 -17.606 -8.924 1.00 13.43 N ATOM 0 H ARG A 73 -9.966 -13.429 -5.601 1.00 73.12 H new ATOM 0 HA ARG A 73 -10.643 -15.702 -3.996 1.00 34.23 H new ATOM 0 HB2 ARG A 73 -12.111 -16.287 -5.825 1.00 42.45 H new ATOM 0 HB3 ARG A 73 -12.307 -14.607 -5.367 1.00 42.45 H new ATOM 0 HG2 ARG A 73 -10.881 -13.953 -7.322 1.00 71.51 H new ATOM 0 HG3 ARG A 73 -10.815 -15.638 -7.798 1.00 71.51 H new ATOM 0 HD2 ARG A 73 -13.326 -13.942 -7.545 1.00 32.13 H new ATOM 0 HD3 ARG A 73 -12.565 -14.443 -9.042 1.00 32.13 H new ATOM 0 HE ARG A 73 -13.593 -16.497 -7.126 1.00 64.25 H new ATOM 0 HH11 ARG A 73 -13.699 -14.965 -10.322 1.00 32.53 H new ATOM 0 HH12 ARG A 73 -14.723 -16.229 -11.012 1.00 32.53 H new ATOM 0 HH21 ARG A 73 -14.911 -18.094 -8.029 1.00 13.43 H new ATOM 0 HH22 ARG A 73 -15.404 -17.987 -9.722 1.00 13.43 H new ATOM 936 N GLN A 74 -8.244 -16.011 -6.046 1.00 22.42 N ATOM 937 CA GLN A 74 -7.192 -16.911 -6.471 1.00 75.04 C ATOM 938 C GLN A 74 -6.204 -17.236 -5.325 1.00 21.34 C ATOM 939 O GLN A 74 -5.286 -18.047 -5.508 1.00 62.21 O ATOM 940 CB GLN A 74 -6.437 -16.357 -7.683 1.00 65.13 C ATOM 941 CG GLN A 74 -7.279 -16.206 -8.936 1.00 45.52 C ATOM 942 CD GLN A 74 -6.492 -15.651 -10.105 1.00 74.05 C ATOM 943 OE1 GLN A 74 -6.416 -14.437 -10.305 1.00 42.43 O ATOM 944 NE2 GLN A 74 -5.897 -16.525 -10.878 1.00 45.45 N ATOM 0 H GLN A 74 -8.040 -15.024 -6.200 1.00 22.42 H new ATOM 0 HA GLN A 74 -7.679 -17.841 -6.763 1.00 75.04 H new ATOM 0 HB2 GLN A 74 -6.020 -15.384 -7.422 1.00 65.13 H new ATOM 0 HB3 GLN A 74 -5.596 -17.015 -7.903 1.00 65.13 H new ATOM 0 HG2 GLN A 74 -7.693 -17.176 -9.210 1.00 45.52 H new ATOM 0 HG3 GLN A 74 -8.122 -15.548 -8.725 1.00 45.52 H new ATOM 0 HE21 GLN A 74 -5.983 -17.522 -10.681 1.00 45.45 H new ATOM 0 HE22 GLN A 74 -5.348 -16.209 -11.677 1.00 45.45 H new ATOM 953 N GLY A 75 -6.366 -16.591 -4.155 1.00 42.41 N ATOM 954 CA GLY A 75 -5.526 -16.900 -3.029 1.00 53.21 C ATOM 955 C GLY A 75 -4.230 -16.121 -3.009 1.00 14.45 C ATOM 956 O GLY A 75 -3.236 -16.590 -2.480 1.00 30.23 O ATOM 0 H GLY A 75 -7.064 -15.867 -3.985 1.00 42.41 H new ATOM 0 HA2 GLY A 75 -6.076 -16.698 -2.110 1.00 53.21 H new ATOM 0 HA3 GLY A 75 -5.299 -17.966 -3.037 1.00 53.21 H new ATOM 960 N LEU A 76 -4.230 -14.943 -3.576 1.00 12.31 N ATOM 961 CA LEU A 76 -3.032 -14.108 -3.577 1.00 23.24 C ATOM 962 C LEU A 76 -2.855 -13.390 -2.253 1.00 63.44 C ATOM 963 O LEU A 76 -1.777 -13.399 -1.667 1.00 25.11 O ATOM 964 CB LEU A 76 -3.064 -13.064 -4.714 1.00 52.52 C ATOM 965 CG LEU A 76 -2.657 -13.503 -6.139 1.00 30.55 C ATOM 966 CD1 LEU A 76 -1.176 -13.826 -6.206 1.00 62.32 C ATOM 967 CD2 LEU A 76 -3.463 -14.689 -6.630 1.00 3.54 C ATOM 0 H LEU A 76 -5.037 -14.531 -4.044 1.00 12.31 H new ATOM 0 HA LEU A 76 -2.189 -14.780 -3.737 1.00 23.24 H new ATOM 0 HB2 LEU A 76 -4.077 -12.666 -4.768 1.00 52.52 H new ATOM 0 HB3 LEU A 76 -2.413 -12.240 -4.424 1.00 52.52 H new ATOM 0 HG LEU A 76 -2.872 -12.660 -6.796 1.00 30.55 H new ATOM 0 HD11 LEU A 76 -0.916 -14.132 -7.219 1.00 62.32 H new ATOM 0 HD12 LEU A 76 -0.598 -12.943 -5.934 1.00 62.32 H new ATOM 0 HD13 LEU A 76 -0.948 -14.636 -5.513 1.00 62.32 H new ATOM 0 HD21 LEU A 76 -3.139 -14.958 -7.635 1.00 3.54 H new ATOM 0 HD22 LEU A 76 -3.310 -15.535 -5.960 1.00 3.54 H new ATOM 0 HD23 LEU A 76 -4.521 -14.428 -6.648 1.00 3.54 H new ATOM 979 N PHE A 77 -3.929 -12.823 -1.748 1.00 42.30 N ATOM 980 CA PHE A 77 -3.833 -11.955 -0.587 1.00 23.50 C ATOM 981 C PHE A 77 -4.088 -12.686 0.715 1.00 34.31 C ATOM 982 O PHE A 77 -4.073 -12.078 1.779 1.00 31.04 O ATOM 983 CB PHE A 77 -4.783 -10.765 -0.724 1.00 64.11 C ATOM 984 CG PHE A 77 -4.616 -10.022 -2.017 1.00 11.04 C ATOM 985 CD1 PHE A 77 -3.383 -9.501 -2.389 1.00 32.10 C ATOM 986 CD2 PHE A 77 -5.689 -9.850 -2.864 1.00 41.03 C ATOM 987 CE1 PHE A 77 -3.236 -8.828 -3.581 1.00 52.45 C ATOM 988 CE2 PHE A 77 -5.547 -9.176 -4.052 1.00 21.52 C ATOM 989 CZ PHE A 77 -4.320 -8.664 -4.414 1.00 40.42 C ATOM 0 H PHE A 77 -4.872 -12.944 -2.117 1.00 42.30 H new ATOM 0 HA PHE A 77 -2.806 -11.593 -0.552 1.00 23.50 H new ATOM 0 HB2 PHE A 77 -5.811 -11.118 -0.645 1.00 64.11 H new ATOM 0 HB3 PHE A 77 -4.617 -10.078 0.106 1.00 64.11 H new ATOM 0 HD1 PHE A 77 -2.531 -9.625 -1.737 1.00 32.10 H new ATOM 0 HD2 PHE A 77 -6.654 -10.250 -2.590 1.00 41.03 H new ATOM 0 HE1 PHE A 77 -2.272 -8.430 -3.862 1.00 52.45 H new ATOM 0 HE2 PHE A 77 -6.398 -9.047 -4.704 1.00 21.52 H new ATOM 0 HZ PHE A 77 -4.209 -8.135 -5.349 1.00 40.42 H new ATOM 999 N LYS A 78 -4.244 -13.995 0.646 1.00 45.13 N ATOM 1000 CA LYS A 78 -4.513 -14.781 1.846 1.00 63.00 C ATOM 1001 C LYS A 78 -3.334 -14.805 2.824 1.00 13.12 C ATOM 1002 O LYS A 78 -3.482 -15.177 3.979 1.00 15.13 O ATOM 1003 CB LYS A 78 -5.099 -16.202 1.537 1.00 33.12 C ATOM 1004 CG LYS A 78 -4.406 -17.028 0.436 1.00 10.21 C ATOM 1005 CD LYS A 78 -2.924 -17.317 0.723 1.00 51.33 C ATOM 1006 CE LYS A 78 -2.699 -18.169 1.981 1.00 24.15 C ATOM 1007 NZ LYS A 78 -3.183 -19.554 1.830 1.00 44.01 N ATOM 0 H LYS A 78 -4.191 -14.536 -0.217 1.00 45.13 H new ATOM 0 HA LYS A 78 -5.310 -14.254 2.370 1.00 63.00 H new ATOM 0 HB2 LYS A 78 -5.078 -16.783 2.459 1.00 33.12 H new ATOM 0 HB3 LYS A 78 -6.146 -16.082 1.260 1.00 33.12 H new ATOM 0 HG2 LYS A 78 -4.935 -17.973 0.316 1.00 10.21 H new ATOM 0 HG3 LYS A 78 -4.487 -16.495 -0.511 1.00 10.21 H new ATOM 0 HD2 LYS A 78 -2.489 -17.829 -0.135 1.00 51.33 H new ATOM 0 HD3 LYS A 78 -2.392 -16.372 0.834 1.00 51.33 H new ATOM 0 HE2 LYS A 78 -1.635 -18.185 2.217 1.00 24.15 H new ATOM 0 HE3 LYS A 78 -3.206 -17.702 2.825 1.00 24.15 H new ATOM 0 HZ1 LYS A 78 -3.005 -20.082 2.708 1.00 44.01 H new ATOM 0 HZ2 LYS A 78 -4.204 -19.545 1.632 1.00 44.01 H new ATOM 0 HZ3 LYS A 78 -2.682 -20.013 1.043 1.00 44.01 H new ATOM 1021 N LYS A 79 -2.163 -14.397 2.352 1.00 70.44 N ATOM 1022 CA LYS A 79 -0.984 -14.323 3.205 1.00 10.32 C ATOM 1023 C LYS A 79 -1.044 -13.074 4.074 1.00 62.23 C ATOM 1024 O LYS A 79 -0.547 -13.054 5.206 1.00 54.13 O ATOM 1025 CB LYS A 79 0.304 -14.270 2.385 1.00 42.10 C ATOM 1026 CG LYS A 79 0.584 -15.469 1.500 1.00 53.32 C ATOM 1027 CD LYS A 79 1.936 -15.290 0.830 1.00 32.22 C ATOM 1028 CE LYS A 79 2.317 -16.458 -0.055 1.00 41.32 C ATOM 1029 NZ LYS A 79 3.653 -16.270 -0.658 1.00 24.54 N ATOM 0 H LYS A 79 -2.004 -14.113 1.385 1.00 70.44 H new ATOM 0 HA LYS A 79 -0.978 -15.222 3.821 1.00 10.32 H new ATOM 0 HB2 LYS A 79 0.274 -13.380 1.757 1.00 42.10 H new ATOM 0 HB3 LYS A 79 1.142 -14.147 3.071 1.00 42.10 H new ATOM 0 HG2 LYS A 79 0.577 -16.384 2.093 1.00 53.32 H new ATOM 0 HG3 LYS A 79 -0.198 -15.571 0.747 1.00 53.32 H new ATOM 0 HD2 LYS A 79 1.921 -14.378 0.233 1.00 32.22 H new ATOM 0 HD3 LYS A 79 2.700 -15.157 1.596 1.00 32.22 H new ATOM 0 HE2 LYS A 79 2.308 -17.377 0.531 1.00 41.32 H new ATOM 0 HE3 LYS A 79 1.574 -16.575 -0.844 1.00 41.32 H new ATOM 0 HZ1 LYS A 79 3.882 -17.088 -1.258 1.00 24.54 H new ATOM 0 HZ2 LYS A 79 3.654 -15.406 -1.237 1.00 24.54 H new ATOM 0 HZ3 LYS A 79 4.365 -16.183 0.095 1.00 24.54 H new ATOM 1043 N LEU A 80 -1.700 -12.055 3.555 1.00 63.23 N ATOM 1044 CA LEU A 80 -1.769 -10.756 4.177 1.00 20.03 C ATOM 1045 C LEU A 80 -2.770 -10.741 5.316 1.00 53.31 C ATOM 1046 O LEU A 80 -2.839 -9.791 6.080 1.00 3.23 O ATOM 1047 CB LEU A 80 -2.123 -9.727 3.120 1.00 21.21 C ATOM 1048 CG LEU A 80 -1.121 -9.600 1.966 1.00 25.22 C ATOM 1049 CD1 LEU A 80 -1.656 -8.678 0.903 1.00 35.52 C ATOM 1050 CD2 LEU A 80 0.224 -9.096 2.472 1.00 51.53 C ATOM 0 H LEU A 80 -2.208 -12.112 2.672 1.00 63.23 H new ATOM 0 HA LEU A 80 -0.799 -10.512 4.610 1.00 20.03 H new ATOM 0 HB2 LEU A 80 -3.099 -9.978 2.705 1.00 21.21 H new ATOM 0 HB3 LEU A 80 -2.222 -8.754 3.602 1.00 21.21 H new ATOM 0 HG LEU A 80 -0.977 -10.589 1.531 1.00 25.22 H new ATOM 0 HD11 LEU A 80 -0.932 -8.599 0.092 1.00 35.52 H new ATOM 0 HD12 LEU A 80 -2.594 -9.075 0.515 1.00 35.52 H new ATOM 0 HD13 LEU A 80 -1.830 -7.691 1.331 1.00 35.52 H new ATOM 0 HD21 LEU A 80 0.919 -9.014 1.637 1.00 51.53 H new ATOM 0 HD22 LEU A 80 0.095 -8.118 2.935 1.00 51.53 H new ATOM 0 HD23 LEU A 80 0.622 -9.796 3.207 1.00 51.53 H new ATOM 1062 N LYS A 81 -3.511 -11.815 5.441 1.00 22.42 N ATOM 1063 CA LYS A 81 -4.477 -11.975 6.512 1.00 65.11 C ATOM 1064 C LYS A 81 -3.737 -12.110 7.847 1.00 72.00 C ATOM 1065 O LYS A 81 -4.196 -11.638 8.887 1.00 75.22 O ATOM 1066 CB LYS A 81 -5.371 -13.209 6.189 1.00 43.33 C ATOM 1067 CG LYS A 81 -6.418 -13.634 7.241 1.00 61.41 C ATOM 1068 CD LYS A 81 -5.816 -14.484 8.357 1.00 32.12 C ATOM 1069 CE LYS A 81 -6.882 -15.003 9.301 1.00 41.13 C ATOM 1070 NZ LYS A 81 -6.307 -15.863 10.352 1.00 30.23 N ATOM 0 H LYS A 81 -3.464 -12.609 4.802 1.00 22.42 H new ATOM 0 HA LYS A 81 -5.127 -11.104 6.596 1.00 65.11 H new ATOM 0 HB2 LYS A 81 -5.897 -13.007 5.256 1.00 43.33 H new ATOM 0 HB3 LYS A 81 -4.714 -14.060 6.007 1.00 43.33 H new ATOM 0 HG2 LYS A 81 -6.875 -12.744 7.673 1.00 61.41 H new ATOM 0 HG3 LYS A 81 -7.214 -14.195 6.751 1.00 61.41 H new ATOM 0 HD2 LYS A 81 -5.274 -15.324 7.923 1.00 32.12 H new ATOM 0 HD3 LYS A 81 -5.092 -13.891 8.916 1.00 32.12 H new ATOM 0 HE2 LYS A 81 -7.401 -14.162 9.762 1.00 41.13 H new ATOM 0 HE3 LYS A 81 -7.626 -15.566 8.737 1.00 41.13 H new ATOM 0 HZ1 LYS A 81 -7.066 -16.199 10.979 1.00 30.23 H new ATOM 0 HZ2 LYS A 81 -5.833 -16.678 9.913 1.00 30.23 H new ATOM 0 HZ3 LYS A 81 -5.616 -15.319 10.906 1.00 30.23 H new ATOM 1084 N ASP A 82 -2.558 -12.690 7.788 1.00 64.33 N ATOM 1085 CA ASP A 82 -1.775 -12.964 8.982 1.00 13.10 C ATOM 1086 C ASP A 82 -0.706 -11.876 9.180 1.00 54.34 C ATOM 1087 O ASP A 82 0.219 -12.010 9.988 1.00 32.45 O ATOM 1088 CB ASP A 82 -1.144 -14.364 8.870 1.00 13.15 C ATOM 1089 CG ASP A 82 -0.541 -14.858 10.169 1.00 33.12 C ATOM 1090 OD1 ASP A 82 -1.300 -15.076 11.143 1.00 20.44 O ATOM 1091 OD2 ASP A 82 0.691 -15.090 10.227 1.00 71.52 O ATOM 0 H ASP A 82 -2.114 -12.985 6.919 1.00 64.33 H new ATOM 0 HA ASP A 82 -2.423 -12.949 9.858 1.00 13.10 H new ATOM 0 HB2 ASP A 82 -1.904 -15.072 8.539 1.00 13.15 H new ATOM 0 HB3 ASP A 82 -0.370 -14.345 8.103 1.00 13.15 H new ATOM 1096 N ALA A 83 -0.855 -10.785 8.456 1.00 33.42 N ATOM 1097 CA ALA A 83 0.087 -9.684 8.532 1.00 73.13 C ATOM 1098 C ALA A 83 -0.179 -8.829 9.767 1.00 55.42 C ATOM 1099 O ALA A 83 -1.322 -8.714 10.224 1.00 33.33 O ATOM 1100 CB ALA A 83 0.022 -8.844 7.271 1.00 52.12 C ATOM 0 H ALA A 83 -1.625 -10.636 7.804 1.00 33.42 H new ATOM 0 HA ALA A 83 1.092 -10.097 8.618 1.00 73.13 H new ATOM 0 HB1 ALA A 83 0.735 -8.022 7.344 1.00 52.12 H new ATOM 0 HB2 ALA A 83 0.269 -9.463 6.408 1.00 52.12 H new ATOM 0 HB3 ALA A 83 -0.984 -8.442 7.153 1.00 52.12 H new ATOM 1106 N GLU A 84 0.866 -8.250 10.301 1.00 3.55 N ATOM 1107 CA GLU A 84 0.784 -7.427 11.491 1.00 24.51 C ATOM 1108 C GLU A 84 0.795 -5.976 11.095 1.00 61.52 C ATOM 1109 O GLU A 84 1.550 -5.583 10.207 1.00 14.01 O ATOM 1110 CB GLU A 84 1.981 -7.692 12.383 1.00 32.02 C ATOM 1111 CG GLU A 84 2.093 -9.114 12.872 1.00 33.10 C ATOM 1112 CD GLU A 84 3.399 -9.353 13.554 1.00 51.21 C ATOM 1113 OE1 GLU A 84 3.460 -9.288 14.802 1.00 11.51 O ATOM 1114 OE2 GLU A 84 4.418 -9.586 12.851 1.00 1.54 O ATOM 0 H GLU A 84 1.809 -8.335 9.922 1.00 3.55 H new ATOM 0 HA GLU A 84 -0.135 -7.666 12.025 1.00 24.51 H new ATOM 0 HB2 GLU A 84 2.889 -7.436 11.837 1.00 32.02 H new ATOM 0 HB3 GLU A 84 1.930 -7.027 13.245 1.00 32.02 H new ATOM 0 HG2 GLU A 84 1.276 -9.329 13.561 1.00 33.10 H new ATOM 0 HG3 GLU A 84 1.989 -9.799 12.031 1.00 33.10 H new ATOM 1121 N PHE A 85 -0.021 -5.191 11.732 1.00 75.01 N ATOM 1122 CA PHE A 85 -0.079 -3.783 11.441 1.00 44.24 C ATOM 1123 C PHE A 85 1.123 -3.050 12.028 1.00 71.30 C ATOM 1124 O PHE A 85 1.552 -3.322 13.166 1.00 32.21 O ATOM 1125 CB PHE A 85 -1.417 -3.157 11.903 1.00 10.24 C ATOM 1126 CG PHE A 85 -1.742 -3.306 13.374 1.00 31.11 C ATOM 1127 CD1 PHE A 85 -2.368 -4.450 13.849 1.00 62.02 C ATOM 1128 CD2 PHE A 85 -1.441 -2.294 14.273 1.00 41.00 C ATOM 1129 CE1 PHE A 85 -2.680 -4.581 15.189 1.00 64.53 C ATOM 1130 CE2 PHE A 85 -1.751 -2.421 15.610 1.00 63.41 C ATOM 1131 CZ PHE A 85 -2.371 -3.565 16.069 1.00 74.33 C ATOM 0 H PHE A 85 -0.662 -5.501 12.463 1.00 75.01 H new ATOM 0 HA PHE A 85 -0.035 -3.669 10.358 1.00 44.24 H new ATOM 0 HB2 PHE A 85 -1.402 -2.095 11.659 1.00 10.24 H new ATOM 0 HB3 PHE A 85 -2.225 -3.605 11.325 1.00 10.24 H new ATOM 0 HD1 PHE A 85 -2.614 -5.247 13.163 1.00 62.02 H new ATOM 0 HD2 PHE A 85 -0.957 -1.395 13.921 1.00 41.00 H new ATOM 0 HE1 PHE A 85 -3.165 -5.477 15.546 1.00 64.53 H new ATOM 0 HE2 PHE A 85 -1.509 -1.625 16.298 1.00 63.41 H new ATOM 0 HZ PHE A 85 -2.614 -3.665 17.117 1.00 74.33 H new ATOM 1300 N GLU A 97 -6.782 15.029 4.883 1.00 24.24 N ATOM 1301 CA GLU A 97 -6.315 13.903 5.657 1.00 61.12 C ATOM 1302 C GLU A 97 -6.120 12.666 4.821 1.00 22.13 C ATOM 1303 O GLU A 97 -6.966 12.326 3.972 1.00 33.11 O ATOM 1304 CB GLU A 97 -7.289 13.599 6.766 1.00 4.24 C ATOM 1305 CG GLU A 97 -7.424 14.697 7.781 1.00 44.25 C ATOM 1306 CD GLU A 97 -8.536 14.425 8.730 1.00 43.24 C ATOM 1307 OE1 GLU A 97 -8.524 13.368 9.399 1.00 54.31 O ATOM 1308 OE2 GLU A 97 -9.445 15.268 8.837 1.00 4.40 O ATOM 0 HA GLU A 97 -5.345 14.184 6.067 1.00 61.12 H new ATOM 0 HB2 GLU A 97 -8.268 13.399 6.331 1.00 4.24 H new ATOM 0 HB3 GLU A 97 -6.973 12.687 7.273 1.00 4.24 H new ATOM 0 HG2 GLU A 97 -6.490 14.801 8.333 1.00 44.25 H new ATOM 0 HG3 GLU A 97 -7.601 15.645 7.273 1.00 44.25 H new ATOM 1315 N GLY A 98 -5.026 12.003 5.069 1.00 33.31 N ATOM 1316 CA GLY A 98 -4.733 10.763 4.434 1.00 52.34 C ATOM 1317 C GLY A 98 -4.260 9.792 5.471 1.00 32.35 C ATOM 1318 O GLY A 98 -3.501 10.175 6.372 1.00 43.34 O ATOM 0 H GLY A 98 -4.310 12.316 5.725 1.00 33.31 H new ATOM 0 HA2 GLY A 98 -5.620 10.377 3.932 1.00 52.34 H new ATOM 0 HA3 GLY A 98 -3.969 10.901 3.669 1.00 52.34 H new ATOM 1322 N TYR A 99 -4.707 8.570 5.387 1.00 45.24 N ATOM 1323 CA TYR A 99 -4.335 7.569 6.352 1.00 54.23 C ATOM 1324 C TYR A 99 -3.638 6.449 5.628 1.00 42.43 C ATOM 1325 O TYR A 99 -4.138 5.964 4.607 1.00 51.23 O ATOM 1326 CB TYR A 99 -5.560 7.003 7.085 1.00 53.03 C ATOM 1327 CG TYR A 99 -6.547 8.037 7.583 1.00 70.23 C ATOM 1328 CD1 TYR A 99 -7.848 8.018 7.130 1.00 30.23 C ATOM 1329 CD2 TYR A 99 -6.181 9.030 8.481 1.00 71.14 C ATOM 1330 CE1 TYR A 99 -8.762 8.941 7.540 1.00 13.14 C ATOM 1331 CE2 TYR A 99 -7.096 9.973 8.908 1.00 54.23 C ATOM 1332 CZ TYR A 99 -8.388 9.928 8.433 1.00 63.42 C ATOM 1333 OH TYR A 99 -9.313 10.866 8.856 1.00 32.12 O ATOM 0 H TYR A 99 -5.335 8.240 4.654 1.00 45.24 H new ATOM 0 HA TYR A 99 -3.682 8.028 7.094 1.00 54.23 H new ATOM 0 HB2 TYR A 99 -6.081 6.320 6.414 1.00 53.03 H new ATOM 0 HB3 TYR A 99 -5.215 6.414 7.935 1.00 53.03 H new ATOM 0 HD1 TYR A 99 -8.151 7.252 6.432 1.00 30.23 H new ATOM 0 HD2 TYR A 99 -5.167 9.066 8.851 1.00 71.14 H new ATOM 0 HE1 TYR A 99 -9.775 8.902 7.169 1.00 13.14 H new ATOM 0 HE2 TYR A 99 -6.800 10.740 9.609 1.00 54.23 H new ATOM 0 HH TYR A 99 -8.905 11.757 8.842 1.00 32.12 H new ATOM 1343 N LYS A 100 -2.493 6.077 6.118 1.00 1.31 N ATOM 1344 CA LYS A 100 -1.711 5.015 5.547 1.00 73.51 C ATOM 1345 C LYS A 100 -1.534 3.927 6.572 1.00 51.31 C ATOM 1346 O LYS A 100 -0.773 4.072 7.532 1.00 3.23 O ATOM 1347 CB LYS A 100 -0.333 5.503 5.024 1.00 74.23 C ATOM 1348 CG LYS A 100 -0.371 6.352 3.742 1.00 32.23 C ATOM 1349 CD LYS A 100 -1.030 7.721 3.935 1.00 71.23 C ATOM 1350 CE LYS A 100 -1.121 8.494 2.626 1.00 61.02 C ATOM 1351 NZ LYS A 100 0.203 8.759 2.043 1.00 13.21 N ATOM 0 H LYS A 100 -2.067 6.508 6.939 1.00 1.31 H new ATOM 0 HA LYS A 100 -2.249 4.629 4.681 1.00 73.51 H new ATOM 0 HB2 LYS A 100 0.148 6.085 5.810 1.00 74.23 H new ATOM 0 HB3 LYS A 100 0.296 4.631 4.843 1.00 74.23 H new ATOM 0 HG2 LYS A 100 0.647 6.496 3.380 1.00 32.23 H new ATOM 0 HG3 LYS A 100 -0.910 5.804 2.969 1.00 32.23 H new ATOM 0 HD2 LYS A 100 -2.030 7.588 4.349 1.00 71.23 H new ATOM 0 HD3 LYS A 100 -0.459 8.300 4.660 1.00 71.23 H new ATOM 0 HE2 LYS A 100 -1.723 7.929 1.914 1.00 61.02 H new ATOM 0 HE3 LYS A 100 -1.635 9.439 2.799 1.00 61.02 H new ATOM 0 HZ1 LYS A 100 0.104 9.413 1.241 1.00 13.21 H new ATOM 0 HZ2 LYS A 100 0.821 9.185 2.763 1.00 13.21 H new ATOM 0 HZ3 LYS A 100 0.622 7.866 1.712 1.00 13.21 H new ATOM 1365 N LEU A 101 -2.270 2.873 6.401 1.00 4.52 N ATOM 1366 CA LEU A 101 -2.221 1.751 7.305 1.00 62.21 C ATOM 1367 C LEU A 101 -1.470 0.638 6.626 1.00 62.02 C ATOM 1368 O LEU A 101 -1.866 0.200 5.547 1.00 40.33 O ATOM 1369 CB LEU A 101 -3.638 1.258 7.699 1.00 53.35 C ATOM 1370 CG LEU A 101 -4.576 2.227 8.459 1.00 32.41 C ATOM 1371 CD1 LEU A 101 -3.899 2.823 9.681 1.00 12.14 C ATOM 1372 CD2 LEU A 101 -5.157 3.307 7.551 1.00 5.00 C ATOM 0 H LEU A 101 -2.927 2.760 5.629 1.00 4.52 H new ATOM 0 HA LEU A 101 -1.722 2.062 8.223 1.00 62.21 H new ATOM 0 HB2 LEU A 101 -4.148 0.953 6.785 1.00 53.35 H new ATOM 0 HB3 LEU A 101 -3.519 0.364 8.312 1.00 53.35 H new ATOM 0 HG LEU A 101 -5.418 1.632 8.812 1.00 32.41 H new ATOM 0 HD11 LEU A 101 -4.590 3.497 10.187 1.00 12.14 H new ATOM 0 HD12 LEU A 101 -3.608 2.023 10.362 1.00 12.14 H new ATOM 0 HD13 LEU A 101 -3.012 3.377 9.372 1.00 12.14 H new ATOM 0 HD21 LEU A 101 -5.808 3.960 8.133 1.00 5.00 H new ATOM 0 HD22 LEU A 101 -4.346 3.894 7.119 1.00 5.00 H new ATOM 0 HD23 LEU A 101 -5.733 2.840 6.752 1.00 5.00 H new ATOM 1384 N VAL A 102 -0.397 0.190 7.221 1.00 52.54 N ATOM 1385 CA VAL A 102 0.399 -0.835 6.604 1.00 22.52 C ATOM 1386 C VAL A 102 0.497 -2.087 7.466 1.00 54.42 C ATOM 1387 O VAL A 102 0.718 -2.023 8.680 1.00 61.02 O ATOM 1388 CB VAL A 102 1.813 -0.319 6.186 1.00 23.41 C ATOM 1389 CG1 VAL A 102 2.613 0.171 7.382 1.00 71.33 C ATOM 1390 CG2 VAL A 102 2.591 -1.376 5.395 1.00 12.03 C ATOM 0 H VAL A 102 -0.056 0.516 8.125 1.00 52.54 H new ATOM 0 HA VAL A 102 -0.124 -1.114 5.689 1.00 22.52 H new ATOM 0 HB VAL A 102 1.655 0.535 5.527 1.00 23.41 H new ATOM 0 HG11 VAL A 102 3.590 0.521 7.048 1.00 71.33 H new ATOM 0 HG12 VAL A 102 2.080 0.990 7.866 1.00 71.33 H new ATOM 0 HG13 VAL A 102 2.744 -0.646 8.092 1.00 71.33 H new ATOM 0 HG21 VAL A 102 3.569 -0.980 5.122 1.00 12.03 H new ATOM 0 HG22 VAL A 102 2.719 -2.268 6.008 1.00 12.03 H new ATOM 0 HG23 VAL A 102 2.039 -1.633 4.491 1.00 12.03 H new ATOM 1400 N TRP A 103 0.278 -3.193 6.837 1.00 54.32 N ATOM 1401 CA TRP A 103 0.403 -4.485 7.429 1.00 63.44 C ATOM 1402 C TRP A 103 1.604 -5.152 6.832 1.00 23.53 C ATOM 1403 O TRP A 103 1.775 -5.156 5.617 1.00 70.10 O ATOM 1404 CB TRP A 103 -0.849 -5.324 7.179 1.00 24.51 C ATOM 1405 CG TRP A 103 -2.058 -4.806 7.876 1.00 2.31 C ATOM 1406 CD1 TRP A 103 -2.520 -5.202 9.089 1.00 4.43 C ATOM 1407 CD2 TRP A 103 -2.960 -3.795 7.412 1.00 33.22 C ATOM 1408 NE1 TRP A 103 -3.643 -4.495 9.418 1.00 40.43 N ATOM 1409 CE2 TRP A 103 -3.937 -3.628 8.406 1.00 52.45 C ATOM 1410 CE3 TRP A 103 -3.034 -3.013 6.255 1.00 50.31 C ATOM 1411 CZ2 TRP A 103 -4.972 -2.717 8.282 1.00 61.14 C ATOM 1412 CZ3 TRP A 103 -4.066 -2.109 6.133 1.00 72.30 C ATOM 1413 CH2 TRP A 103 -5.020 -1.966 7.141 1.00 43.12 C ATOM 0 H TRP A 103 -0.004 -3.224 5.857 1.00 54.32 H new ATOM 0 HA TRP A 103 0.519 -4.387 8.508 1.00 63.44 H new ATOM 0 HB2 TRP A 103 -1.045 -5.361 6.107 1.00 24.51 H new ATOM 0 HB3 TRP A 103 -0.662 -6.347 7.504 1.00 24.51 H new ATOM 0 HD1 TRP A 103 -2.067 -5.965 9.705 1.00 4.43 H new ATOM 0 HE1 TRP A 103 -4.176 -4.599 10.282 1.00 40.43 H new ATOM 0 HE3 TRP A 103 -2.297 -3.116 5.473 1.00 50.31 H new ATOM 0 HZ2 TRP A 103 -5.714 -2.604 9.058 1.00 61.14 H new ATOM 0 HZ3 TRP A 103 -4.138 -1.501 5.243 1.00 72.30 H new ATOM 0 HH2 TRP A 103 -5.815 -1.245 7.017 1.00 43.12 H new ATOM 1424 N LYS A 104 2.440 -5.672 7.663 1.00 44.24 N ATOM 1425 CA LYS A 104 3.642 -6.303 7.224 1.00 1.52 C ATOM 1426 C LYS A 104 3.589 -7.762 7.582 1.00 2.32 C ATOM 1427 O LYS A 104 3.279 -8.128 8.721 1.00 34.15 O ATOM 1428 CB LYS A 104 4.857 -5.621 7.845 1.00 51.24 C ATOM 1429 CG LYS A 104 4.870 -4.115 7.607 1.00 20.42 C ATOM 1430 CD LYS A 104 6.106 -3.441 8.159 1.00 22.42 C ATOM 1431 CE LYS A 104 7.362 -3.830 7.400 1.00 73.04 C ATOM 1432 NZ LYS A 104 8.520 -3.028 7.833 1.00 1.14 N ATOM 0 H LYS A 104 2.310 -5.673 8.675 1.00 44.24 H new ATOM 0 HA LYS A 104 3.734 -6.211 6.142 1.00 1.52 H new ATOM 0 HB2 LYS A 104 4.870 -5.816 8.917 1.00 51.24 H new ATOM 0 HB3 LYS A 104 5.766 -6.058 7.431 1.00 51.24 H new ATOM 0 HG2 LYS A 104 4.805 -3.921 6.536 1.00 20.42 H new ATOM 0 HG3 LYS A 104 3.986 -3.672 8.066 1.00 20.42 H new ATOM 0 HD2 LYS A 104 5.978 -2.359 8.115 1.00 22.42 H new ATOM 0 HD3 LYS A 104 6.223 -3.705 9.210 1.00 22.42 H new ATOM 0 HE2 LYS A 104 7.571 -4.888 7.557 1.00 73.04 H new ATOM 0 HE3 LYS A 104 7.201 -3.692 6.331 1.00 73.04 H new ATOM 0 HZ1 LYS A 104 9.363 -3.317 7.296 1.00 1.14 H new ATOM 0 HZ2 LYS A 104 8.328 -2.020 7.661 1.00 1.14 H new ATOM 0 HZ3 LYS A 104 8.687 -3.180 8.848 1.00 1.14 H new ATOM 1446 N SER A 105 3.838 -8.573 6.615 1.00 30.42 N ATOM 1447 CA SER A 105 3.799 -10.004 6.754 1.00 73.53 C ATOM 1448 C SER A 105 5.120 -10.499 7.370 1.00 65.14 C ATOM 1449 O SER A 105 6.057 -9.698 7.587 1.00 4.33 O ATOM 1450 CB SER A 105 3.525 -10.626 5.361 1.00 35.52 C ATOM 1451 OG SER A 105 3.395 -12.042 5.382 1.00 55.13 O ATOM 0 H SER A 105 4.082 -8.260 5.675 1.00 30.42 H new ATOM 0 HA SER A 105 2.998 -10.311 7.427 1.00 73.53 H new ATOM 0 HB2 SER A 105 2.612 -10.192 4.953 1.00 35.52 H new ATOM 0 HB3 SER A 105 4.337 -10.355 4.686 1.00 35.52 H new ATOM 0 HG SER A 105 3.626 -12.405 4.501 1.00 55.13 H new ATOM 1640 N TRP A 117 9.505 -9.667 2.824 1.00 22.12 N ATOM 1641 CA TRP A 117 8.258 -9.676 3.553 1.00 22.32 C ATOM 1642 C TRP A 117 7.198 -9.043 2.684 1.00 41.44 C ATOM 1643 O TRP A 117 7.517 -8.353 1.745 1.00 54.01 O ATOM 1644 CB TRP A 117 8.381 -8.953 4.915 1.00 23.20 C ATOM 1645 CG TRP A 117 8.939 -7.576 4.815 1.00 3.22 C ATOM 1646 CD1 TRP A 117 8.290 -6.472 4.400 1.00 33.43 C ATOM 1647 CD2 TRP A 117 10.261 -7.166 5.151 1.00 3.05 C ATOM 1648 NE1 TRP A 117 9.123 -5.394 4.415 1.00 12.32 N ATOM 1649 CE2 TRP A 117 10.348 -5.792 4.883 1.00 24.23 C ATOM 1650 CE3 TRP A 117 11.383 -7.831 5.644 1.00 35.00 C ATOM 1651 CZ2 TRP A 117 11.516 -5.070 5.093 1.00 64.21 C ATOM 1652 CZ3 TRP A 117 12.538 -7.112 5.857 1.00 2.34 C ATOM 1653 CH2 TRP A 117 12.594 -5.747 5.581 1.00 60.23 C ATOM 0 HA TRP A 117 7.981 -10.705 3.783 1.00 22.32 H new ATOM 0 HB2 TRP A 117 7.396 -8.903 5.380 1.00 23.20 H new ATOM 0 HB3 TRP A 117 9.015 -9.545 5.574 1.00 23.20 H new ATOM 0 HD1 TRP A 117 7.254 -6.445 4.097 1.00 33.43 H new ATOM 0 HE1 TRP A 117 8.876 -4.448 4.126 1.00 12.32 H new ATOM 0 HE3 TRP A 117 11.347 -8.890 5.855 1.00 35.00 H new ATOM 0 HZ2 TRP A 117 11.568 -4.013 4.878 1.00 64.21 H new ATOM 0 HZ3 TRP A 117 13.413 -7.613 6.244 1.00 2.34 H new ATOM 0 HH2 TRP A 117 13.515 -5.212 5.758 1.00 60.23 H new ATOM 1664 N ASP A 118 5.969 -9.282 2.951 1.00 5.52 N ATOM 1665 CA ASP A 118 4.936 -8.686 2.126 1.00 1.13 C ATOM 1666 C ASP A 118 4.357 -7.536 2.879 1.00 11.42 C ATOM 1667 O ASP A 118 4.071 -7.663 4.069 1.00 62.14 O ATOM 1668 CB ASP A 118 3.801 -9.667 1.794 1.00 40.32 C ATOM 1669 CG ASP A 118 4.280 -11.068 1.479 1.00 21.24 C ATOM 1670 OD1 ASP A 118 4.779 -11.307 0.353 1.00 3.10 O ATOM 1671 OD2 ASP A 118 4.191 -11.956 2.371 1.00 45.35 O ATOM 0 H ASP A 118 5.637 -9.871 3.714 1.00 5.52 H new ATOM 0 HA ASP A 118 5.391 -8.380 1.184 1.00 1.13 H new ATOM 0 HB2 ASP A 118 3.111 -9.709 2.637 1.00 40.32 H new ATOM 0 HB3 ASP A 118 3.240 -9.284 0.942 1.00 40.32 H new ATOM 1676 N GLU A 119 4.209 -6.433 2.235 1.00 64.14 N ATOM 1677 CA GLU A 119 3.601 -5.281 2.874 1.00 41.01 C ATOM 1678 C GLU A 119 2.304 -4.932 2.195 1.00 13.23 C ATOM 1679 O GLU A 119 2.170 -5.071 0.984 1.00 4.24 O ATOM 1680 CB GLU A 119 4.532 -4.056 2.914 1.00 51.45 C ATOM 1681 CG GLU A 119 5.788 -4.262 3.729 1.00 31.05 C ATOM 1682 CD GLU A 119 6.647 -3.020 3.851 1.00 42.10 C ATOM 1683 OE1 GLU A 119 6.116 -1.940 4.175 1.00 65.25 O ATOM 1684 OE2 GLU A 119 7.884 -3.119 3.707 1.00 11.33 O ATOM 0 H GLU A 119 4.494 -6.287 1.267 1.00 64.14 H new ATOM 0 HA GLU A 119 3.407 -5.561 3.909 1.00 41.01 H new ATOM 0 HB2 GLU A 119 4.813 -3.793 1.894 1.00 51.45 H new ATOM 0 HB3 GLU A 119 3.982 -3.208 3.322 1.00 51.45 H new ATOM 0 HG2 GLU A 119 5.511 -4.601 4.727 1.00 31.05 H new ATOM 0 HG3 GLU A 119 6.378 -5.058 3.275 1.00 31.05 H new ATOM 1691 N ALA A 120 1.351 -4.545 2.967 1.00 52.42 N ATOM 1692 CA ALA A 120 0.088 -4.104 2.464 1.00 13.01 C ATOM 1693 C ALA A 120 -0.192 -2.757 3.065 1.00 72.31 C ATOM 1694 O ALA A 120 -0.327 -2.640 4.267 1.00 31.15 O ATOM 1695 CB ALA A 120 -0.992 -5.096 2.847 1.00 20.02 C ATOM 0 H ALA A 120 1.423 -4.524 3.984 1.00 52.42 H new ATOM 0 HA ALA A 120 0.105 -4.033 1.376 1.00 13.01 H new ATOM 0 HB1 ALA A 120 -1.953 -4.755 2.461 1.00 20.02 H new ATOM 0 HB2 ALA A 120 -0.756 -6.072 2.423 1.00 20.02 H new ATOM 0 HB3 ALA A 120 -1.045 -5.175 3.933 1.00 20.02 H new ATOM 1701 N GLU A 121 -0.277 -1.760 2.251 1.00 24.14 N ATOM 1702 CA GLU A 121 -0.442 -0.421 2.718 1.00 53.11 C ATOM 1703 C GLU A 121 -1.698 0.174 2.102 1.00 24.35 C ATOM 1704 O GLU A 121 -1.778 0.370 0.900 1.00 42.11 O ATOM 1705 CB GLU A 121 0.827 0.379 2.363 1.00 2.13 C ATOM 1706 CG GLU A 121 0.902 1.793 2.914 1.00 33.14 C ATOM 1707 CD GLU A 121 2.256 2.423 2.639 1.00 73.11 C ATOM 1708 OE1 GLU A 121 2.529 2.797 1.476 1.00 74.44 O ATOM 1709 OE2 GLU A 121 3.077 2.564 3.571 1.00 40.54 O ATOM 0 H GLU A 121 -0.234 -1.849 1.236 1.00 24.14 H new ATOM 0 HA GLU A 121 -0.569 -0.390 3.800 1.00 53.11 H new ATOM 0 HB2 GLU A 121 1.694 -0.176 2.722 1.00 2.13 H new ATOM 0 HB3 GLU A 121 0.908 0.429 1.277 1.00 2.13 H new ATOM 0 HG2 GLU A 121 0.118 2.402 2.465 1.00 33.14 H new ATOM 0 HG3 GLU A 121 0.718 1.777 3.988 1.00 33.14 H new ATOM 1716 N ALA A 122 -2.684 0.397 2.920 1.00 5.25 N ATOM 1717 CA ALA A 122 -3.939 0.953 2.502 1.00 61.43 C ATOM 1718 C ALA A 122 -3.915 2.461 2.683 1.00 23.22 C ATOM 1719 O ALA A 122 -3.480 2.964 3.727 1.00 53.12 O ATOM 1720 CB ALA A 122 -5.066 0.353 3.329 1.00 71.42 C ATOM 0 H ALA A 122 -2.638 0.193 3.918 1.00 5.25 H new ATOM 0 HA ALA A 122 -4.104 0.721 1.450 1.00 61.43 H new ATOM 0 HB1 ALA A 122 -6.018 0.777 3.009 1.00 71.42 H new ATOM 0 HB2 ALA A 122 -5.085 -0.728 3.188 1.00 71.42 H new ATOM 0 HB3 ALA A 122 -4.904 0.579 4.383 1.00 71.42 H new ATOM 1726 N TYR A 123 -4.367 3.162 1.673 1.00 21.34 N ATOM 1727 CA TYR A 123 -4.399 4.602 1.653 1.00 71.34 C ATOM 1728 C TYR A 123 -5.850 5.044 1.687 1.00 53.32 C ATOM 1729 O TYR A 123 -6.621 4.750 0.767 1.00 54.04 O ATOM 1730 CB TYR A 123 -3.762 5.139 0.350 1.00 3.14 C ATOM 1731 CG TYR A 123 -2.397 4.574 0.030 1.00 43.23 C ATOM 1732 CD1 TYR A 123 -1.249 5.179 0.489 1.00 31.31 C ATOM 1733 CD2 TYR A 123 -2.268 3.425 -0.733 1.00 63.23 C ATOM 1734 CE1 TYR A 123 -0.008 4.656 0.202 1.00 75.32 C ATOM 1735 CE2 TYR A 123 -1.035 2.898 -1.023 1.00 31.25 C ATOM 1736 CZ TYR A 123 0.092 3.516 -0.554 1.00 52.34 C ATOM 1737 OH TYR A 123 1.335 2.992 -0.840 1.00 44.32 O ATOM 0 H TYR A 123 -4.732 2.736 0.821 1.00 21.34 H new ATOM 0 HA TYR A 123 -3.844 4.986 2.509 1.00 71.34 H new ATOM 0 HB2 TYR A 123 -4.433 4.923 -0.481 1.00 3.14 H new ATOM 0 HB3 TYR A 123 -3.683 6.224 0.422 1.00 3.14 H new ATOM 0 HD1 TYR A 123 -1.323 6.078 1.083 1.00 31.31 H new ATOM 0 HD2 TYR A 123 -3.155 2.935 -1.107 1.00 63.23 H new ATOM 0 HE1 TYR A 123 0.883 5.142 0.571 1.00 75.32 H new ATOM 0 HE2 TYR A 123 -0.954 2.000 -1.618 1.00 31.25 H new ATOM 0 HH TYR A 123 1.718 2.597 -0.029 1.00 44.32 H new ATOM 1747 N ILE A 124 -6.231 5.694 2.720 1.00 52.14 N ATOM 1748 CA ILE A 124 -7.576 6.219 2.837 1.00 12.51 C ATOM 1749 C ILE A 124 -7.464 7.722 2.834 1.00 30.02 C ATOM 1750 O ILE A 124 -6.461 8.255 3.315 1.00 11.14 O ATOM 1751 CB ILE A 124 -8.240 5.777 4.171 1.00 70.20 C ATOM 1752 CG1 ILE A 124 -8.291 4.264 4.306 1.00 44.01 C ATOM 1753 CG2 ILE A 124 -9.642 6.359 4.326 1.00 4.31 C ATOM 1754 CD1 ILE A 124 -8.953 3.821 5.599 1.00 31.24 C ATOM 0 H ILE A 124 -5.632 5.889 3.522 1.00 52.14 H new ATOM 0 HA ILE A 124 -8.187 5.847 2.014 1.00 12.51 H new ATOM 0 HB ILE A 124 -7.612 6.171 4.970 1.00 70.20 H new ATOM 0 HG12 ILE A 124 -8.835 3.844 3.460 1.00 44.01 H new ATOM 0 HG13 ILE A 124 -7.278 3.864 4.264 1.00 44.01 H new ATOM 0 HG21 ILE A 124 -10.072 6.026 5.271 1.00 4.31 H new ATOM 0 HG22 ILE A 124 -9.587 7.448 4.315 1.00 4.31 H new ATOM 0 HG23 ILE A 124 -10.270 6.019 3.502 1.00 4.31 H new ATOM 0 HD11 ILE A 124 -8.965 2.732 5.647 1.00 31.24 H new ATOM 0 HD12 ILE A 124 -8.395 4.216 6.448 1.00 31.24 H new ATOM 0 HD13 ILE A 124 -9.976 4.196 5.631 1.00 31.24 H new ATOM 1766 N TRP A 125 -8.425 8.417 2.294 1.00 62.53 N ATOM 1767 CA TRP A 125 -8.360 9.838 2.356 1.00 74.34 C ATOM 1768 C TRP A 125 -9.688 10.379 2.829 1.00 53.24 C ATOM 1769 O TRP A 125 -10.757 9.721 2.665 1.00 34.30 O ATOM 1770 CB TRP A 125 -7.901 10.474 1.004 1.00 62.13 C ATOM 1771 CG TRP A 125 -8.988 10.975 0.077 1.00 41.53 C ATOM 1772 CD1 TRP A 125 -9.244 12.280 -0.236 1.00 55.51 C ATOM 1773 CD2 TRP A 125 -9.951 10.205 -0.645 1.00 10.23 C ATOM 1774 NE1 TRP A 125 -10.294 12.366 -1.103 1.00 60.52 N ATOM 1775 CE2 TRP A 125 -10.749 11.109 -1.372 1.00 14.12 C ATOM 1776 CE3 TRP A 125 -10.213 8.854 -0.747 1.00 24.15 C ATOM 1777 CZ2 TRP A 125 -11.790 10.691 -2.186 1.00 74.33 C ATOM 1778 CZ3 TRP A 125 -11.240 8.435 -1.550 1.00 44.55 C ATOM 1779 CH2 TRP A 125 -12.022 9.352 -2.265 1.00 72.33 C ATOM 0 H TRP A 125 -9.240 8.030 1.819 1.00 62.53 H new ATOM 0 HA TRP A 125 -7.594 10.120 3.078 1.00 74.34 H new ATOM 0 HB2 TRP A 125 -7.237 11.308 1.230 1.00 62.13 H new ATOM 0 HB3 TRP A 125 -7.310 9.734 0.465 1.00 62.13 H new ATOM 0 HD1 TRP A 125 -8.693 13.125 0.149 1.00 55.51 H new ATOM 0 HE1 TRP A 125 -10.676 13.230 -1.487 1.00 60.52 H new ATOM 0 HE3 TRP A 125 -9.617 8.138 -0.201 1.00 24.15 H new ATOM 0 HZ2 TRP A 125 -12.393 11.399 -2.735 1.00 74.33 H new ATOM 0 HZ3 TRP A 125 -11.451 7.379 -1.634 1.00 44.55 H new ATOM 0 HH2 TRP A 125 -12.824 8.989 -2.891 1.00 72.33 H new ATOM 1790 N ARG A 126 -9.640 11.493 3.487 1.00 14.41 N ATOM 1791 CA ARG A 126 -10.828 12.158 3.871 1.00 45.03 C ATOM 1792 C ARG A 126 -11.023 13.271 2.884 1.00 61.33 C ATOM 1793 O ARG A 126 -10.173 14.161 2.763 1.00 3.33 O ATOM 1794 CB ARG A 126 -10.769 12.689 5.312 1.00 44.13 C ATOM 1795 CG ARG A 126 -12.121 13.200 5.804 1.00 55.51 C ATOM 1796 CD ARG A 126 -12.078 13.719 7.239 1.00 42.25 C ATOM 1797 NE ARG A 126 -11.643 12.703 8.212 1.00 32.35 N ATOM 1798 CZ ARG A 126 -12.044 12.644 9.499 1.00 43.05 C ATOM 1799 NH1 ARG A 126 -13.014 13.427 9.955 1.00 54.34 N ATOM 1800 NH2 ARG A 126 -11.477 11.783 10.320 1.00 45.13 N ATOM 0 H ARG A 126 -8.778 11.959 3.769 1.00 14.41 H new ATOM 0 HA ARG A 126 -11.669 11.464 3.862 1.00 45.03 H new ATOM 0 HB2 ARG A 126 -10.422 11.896 5.974 1.00 44.13 H new ATOM 0 HB3 ARG A 126 -10.037 13.495 5.369 1.00 44.13 H new ATOM 0 HG2 ARG A 126 -12.463 13.998 5.145 1.00 55.51 H new ATOM 0 HG3 ARG A 126 -12.853 12.396 5.737 1.00 55.51 H new ATOM 0 HD2 ARG A 126 -11.403 14.573 7.289 1.00 42.25 H new ATOM 0 HD3 ARG A 126 -13.068 14.079 7.518 1.00 42.25 H new ATOM 0 HE ARG A 126 -10.989 11.990 7.889 1.00 32.35 H new ATOM 0 HH11 ARG A 126 -13.472 14.089 9.329 1.00 54.34 H new ATOM 0 HH12 ARG A 126 -13.302 13.366 10.932 1.00 54.34 H new ATOM 0 HH21 ARG A 126 -10.739 11.166 9.982 1.00 45.13 H new ATOM 0 HH22 ARG A 126 -11.776 11.734 11.294 1.00 45.13 H new ATOM 1814 N ARG A 127 -12.086 13.186 2.157 1.00 33.12 N ATOM 1815 CA ARG A 127 -12.412 14.114 1.110 1.00 53.21 C ATOM 1816 C ARG A 127 -12.768 15.469 1.723 1.00 32.44 C ATOM 1817 O ARG A 127 -13.159 15.527 2.886 1.00 22.21 O ATOM 1818 CB ARG A 127 -13.577 13.492 0.329 1.00 12.25 C ATOM 1819 CG ARG A 127 -14.221 14.297 -0.766 1.00 21.53 C ATOM 1820 CD ARG A 127 -15.322 13.461 -1.386 1.00 71.41 C ATOM 1821 NE ARG A 127 -16.168 14.211 -2.298 1.00 65.33 N ATOM 1822 CZ ARG A 127 -16.984 13.653 -3.197 1.00 64.31 C ATOM 1823 NH1 ARG A 127 -17.056 12.319 -3.310 1.00 11.23 N ATOM 1824 NH2 ARG A 127 -17.730 14.426 -3.964 1.00 53.25 N ATOM 0 H ARG A 127 -12.779 12.447 2.274 1.00 33.12 H new ATOM 0 HA ARG A 127 -11.577 14.294 0.433 1.00 53.21 H new ATOM 0 HB2 ARG A 127 -13.221 12.560 -0.111 1.00 12.25 H new ATOM 0 HB3 ARG A 127 -14.354 13.229 1.047 1.00 12.25 H new ATOM 0 HG2 ARG A 127 -14.629 15.225 -0.365 1.00 21.53 H new ATOM 0 HG3 ARG A 127 -13.483 14.572 -1.519 1.00 21.53 H new ATOM 0 HD2 ARG A 127 -14.875 12.623 -1.922 1.00 71.41 H new ATOM 0 HD3 ARG A 127 -15.939 13.039 -0.593 1.00 71.41 H new ATOM 0 HE ARG A 127 -16.137 15.229 -2.249 1.00 65.33 H new ATOM 0 HH11 ARG A 127 -16.486 11.725 -2.708 1.00 11.23 H new ATOM 0 HH12 ARG A 127 -17.681 11.898 -3.998 1.00 11.23 H new ATOM 0 HH21 ARG A 127 -17.681 15.440 -3.868 1.00 53.25 H new ATOM 0 HH22 ARG A 127 -18.356 14.009 -4.653 1.00 53.25 H new ATOM 1838 N LYS A 128 -12.602 16.546 0.956 1.00 13.41 N ATOM 1839 CA LYS A 128 -12.936 17.926 1.392 1.00 15.41 C ATOM 1840 C LYS A 128 -14.372 18.014 1.940 1.00 43.22 C ATOM 1841 O LYS A 128 -14.665 18.788 2.849 1.00 22.24 O ATOM 1842 CB LYS A 128 -12.776 18.901 0.213 1.00 64.35 C ATOM 1843 CG LYS A 128 -13.601 18.512 -1.007 1.00 20.45 C ATOM 1844 CD LYS A 128 -13.554 19.562 -2.093 1.00 34.53 C ATOM 1845 CE LYS A 128 -14.404 19.144 -3.284 1.00 22.53 C ATOM 1846 NZ LYS A 128 -15.815 18.898 -2.913 1.00 44.12 N ATOM 0 H LYS A 128 -12.231 16.499 0.007 1.00 13.41 H new ATOM 0 HA LYS A 128 -12.249 18.197 2.193 1.00 15.41 H new ATOM 0 HB2 LYS A 128 -13.066 19.901 0.536 1.00 64.35 H new ATOM 0 HB3 LYS A 128 -11.724 18.950 -0.069 1.00 64.35 H new ATOM 0 HG2 LYS A 128 -13.233 17.566 -1.404 1.00 20.45 H new ATOM 0 HG3 LYS A 128 -14.636 18.351 -0.706 1.00 20.45 H new ATOM 0 HD2 LYS A 128 -13.912 20.514 -1.701 1.00 34.53 H new ATOM 0 HD3 LYS A 128 -12.523 19.716 -2.412 1.00 34.53 H new ATOM 0 HE2 LYS A 128 -14.362 19.921 -4.047 1.00 22.53 H new ATOM 0 HE3 LYS A 128 -13.985 18.240 -3.726 1.00 22.53 H new ATOM 0 HZ1 LYS A 128 -16.414 18.968 -3.760 1.00 44.12 H new ATOM 0 HZ2 LYS A 128 -15.905 17.947 -2.503 1.00 44.12 H new ATOM 0 HZ3 LYS A 128 -16.119 19.606 -2.215 1.00 44.12 H new ATOM 1860 N ASP A 129 -15.238 17.181 1.388 1.00 34.44 N ATOM 1861 CA ASP A 129 -16.651 17.078 1.769 1.00 5.34 C ATOM 1862 C ASP A 129 -16.809 16.426 3.144 1.00 41.30 C ATOM 1863 O ASP A 129 -17.912 16.300 3.663 1.00 12.52 O ATOM 1864 CB ASP A 129 -17.409 16.229 0.740 1.00 20.12 C ATOM 1865 CG ASP A 129 -17.507 16.848 -0.640 1.00 62.31 C ATOM 1866 OD1 ASP A 129 -18.593 17.372 -0.996 1.00 53.30 O ATOM 1867 OD2 ASP A 129 -16.500 16.791 -1.409 1.00 3.25 O ATOM 0 H ASP A 129 -14.978 16.537 0.641 1.00 34.44 H new ATOM 0 HA ASP A 129 -17.058 18.089 1.804 1.00 5.34 H new ATOM 0 HB2 ASP A 129 -16.917 15.260 0.655 1.00 20.12 H new ATOM 0 HB3 ASP A 129 -18.416 16.043 1.113 1.00 20.12 H new ATOM 1872 N GLY A 130 -15.710 15.969 3.698 1.00 62.04 N ATOM 1873 CA GLY A 130 -15.703 15.336 4.993 1.00 52.12 C ATOM 1874 C GLY A 130 -15.813 13.839 4.875 1.00 3.23 C ATOM 1875 O GLY A 130 -15.379 13.105 5.756 1.00 31.53 O ATOM 0 H GLY A 130 -14.791 16.027 3.259 1.00 62.04 H new ATOM 0 HA2 GLY A 130 -14.785 15.594 5.521 1.00 52.12 H new ATOM 0 HA3 GLY A 130 -16.532 15.717 5.590 1.00 52.12 H new ATOM 1879 N SER A 131 -16.370 13.396 3.772 1.00 65.25 N ATOM 1880 CA SER A 131 -16.598 12.017 3.492 1.00 25.11 C ATOM 1881 C SER A 131 -15.272 11.294 3.348 1.00 51.13 C ATOM 1882 O SER A 131 -14.415 11.692 2.567 1.00 5.30 O ATOM 1883 CB SER A 131 -17.404 11.920 2.206 1.00 70.14 C ATOM 1884 OG SER A 131 -18.511 12.818 2.255 1.00 33.15 O ATOM 0 H SER A 131 -16.684 14.016 3.026 1.00 65.25 H new ATOM 0 HA SER A 131 -17.150 11.549 4.307 1.00 25.11 H new ATOM 0 HB2 SER A 131 -16.770 12.157 1.351 1.00 70.14 H new ATOM 0 HB3 SER A 131 -17.759 10.899 2.066 1.00 70.14 H new ATOM 0 HG SER A 131 -19.024 12.751 1.423 1.00 33.15 H new ATOM 1890 N CYS A 132 -15.094 10.286 4.100 1.00 44.24 N ATOM 1891 CA CYS A 132 -13.876 9.558 4.045 1.00 14.13 C ATOM 1892 C CYS A 132 -14.113 8.271 3.272 1.00 42.13 C ATOM 1893 O CYS A 132 -15.191 7.657 3.381 1.00 12.31 O ATOM 1894 CB CYS A 132 -13.353 9.297 5.440 1.00 64.51 C ATOM 1895 SG CYS A 132 -11.602 8.887 5.490 1.00 1.23 S ATOM 0 H CYS A 132 -15.777 9.935 4.771 1.00 44.24 H new ATOM 0 HA CYS A 132 -13.112 10.138 3.527 1.00 14.13 H new ATOM 0 HB2 CYS A 132 -13.528 10.179 6.055 1.00 64.51 H new ATOM 0 HB3 CYS A 132 -13.921 8.480 5.885 1.00 64.51 H new ATOM 0 HG CYS A 132 -11.097 8.995 4.297 1.00 1.23 H new ATOM 1901 N TRP A 133 -13.144 7.877 2.487 1.00 22.10 N ATOM 1902 CA TRP A 133 -13.288 6.759 1.612 1.00 1.32 C ATOM 1903 C TRP A 133 -11.899 6.223 1.311 1.00 22.30 C ATOM 1904 O TRP A 133 -10.907 6.951 1.487 1.00 42.42 O ATOM 1905 CB TRP A 133 -13.989 7.231 0.322 1.00 12.14 C ATOM 1906 CG TRP A 133 -14.674 6.146 -0.441 1.00 71.44 C ATOM 1907 CD1 TRP A 133 -15.642 5.350 0.038 1.00 34.03 C ATOM 1908 CD2 TRP A 133 -14.490 5.771 -1.816 1.00 54.04 C ATOM 1909 NE1 TRP A 133 -16.070 4.479 -0.926 1.00 3.22 N ATOM 1910 CE2 TRP A 133 -15.380 4.722 -2.077 1.00 54.45 C ATOM 1911 CE3 TRP A 133 -13.662 6.210 -2.844 1.00 64.44 C ATOM 1912 CZ2 TRP A 133 -15.469 4.107 -3.322 1.00 12.13 C ATOM 1913 CZ3 TRP A 133 -13.748 5.605 -4.073 1.00 61.22 C ATOM 1914 CH2 TRP A 133 -14.646 4.562 -4.306 1.00 43.42 C ATOM 0 H TRP A 133 -12.231 8.330 2.442 1.00 22.10 H new ATOM 0 HA TRP A 133 -13.889 5.970 2.064 1.00 1.32 H new ATOM 0 HB2 TRP A 133 -14.722 7.995 0.580 1.00 12.14 H new ATOM 0 HB3 TRP A 133 -13.251 7.704 -0.326 1.00 12.14 H new ATOM 0 HD1 TRP A 133 -16.030 5.391 1.045 1.00 34.03 H new ATOM 0 HE1 TRP A 133 -16.788 3.765 -0.804 1.00 3.22 H new ATOM 0 HE3 TRP A 133 -12.962 7.015 -2.677 1.00 64.44 H new ATOM 0 HZ2 TRP A 133 -16.164 3.300 -3.501 1.00 12.13 H new ATOM 0 HZ3 TRP A 133 -13.109 5.942 -4.875 1.00 61.22 H new ATOM 0 HH2 TRP A 133 -14.689 4.108 -5.285 1.00 43.42 H new ATOM 1925 N LEU A 134 -11.807 4.963 0.956 1.00 43.22 N ATOM 1926 CA LEU A 134 -10.537 4.381 0.589 1.00 63.13 C ATOM 1927 C LEU A 134 -10.056 4.992 -0.695 1.00 53.13 C ATOM 1928 O LEU A 134 -10.774 5.026 -1.688 1.00 32.52 O ATOM 1929 CB LEU A 134 -10.582 2.848 0.452 1.00 23.33 C ATOM 1930 CG LEU A 134 -10.652 2.016 1.741 1.00 63.14 C ATOM 1931 CD1 LEU A 134 -11.986 2.158 2.460 1.00 23.24 C ATOM 1932 CD2 LEU A 134 -10.345 0.563 1.434 1.00 64.35 C ATOM 0 H LEU A 134 -12.598 4.320 0.913 1.00 43.22 H new ATOM 0 HA LEU A 134 -9.844 4.600 1.402 1.00 63.13 H new ATOM 0 HB2 LEU A 134 -11.447 2.592 -0.160 1.00 23.33 H new ATOM 0 HB3 LEU A 134 -9.696 2.535 -0.101 1.00 23.33 H new ATOM 0 HG LEU A 134 -9.897 2.404 2.425 1.00 63.14 H new ATOM 0 HD11 LEU A 134 -11.979 1.548 3.364 1.00 23.24 H new ATOM 0 HD12 LEU A 134 -12.146 3.202 2.728 1.00 23.24 H new ATOM 0 HD13 LEU A 134 -12.790 1.825 1.804 1.00 23.24 H new ATOM 0 HD21 LEU A 134 -10.396 -0.022 2.353 1.00 64.35 H new ATOM 0 HD22 LEU A 134 -11.073 0.180 0.719 1.00 64.35 H new ATOM 0 HD23 LEU A 134 -9.344 0.484 1.009 1.00 64.35 H new ATOM 1944 N HIS A 135 -8.858 5.467 -0.663 1.00 54.12 N ATOM 1945 CA HIS A 135 -8.276 6.136 -1.778 1.00 51.55 C ATOM 1946 C HIS A 135 -7.718 5.083 -2.718 1.00 2.20 C ATOM 1947 O HIS A 135 -8.099 4.990 -3.898 1.00 62.10 O ATOM 1948 CB HIS A 135 -7.166 7.085 -1.261 1.00 14.42 C ATOM 1949 CG HIS A 135 -6.540 7.987 -2.280 1.00 1.22 C ATOM 1950 ND1 HIS A 135 -7.046 9.217 -2.625 1.00 2.44 N ATOM 1951 CD2 HIS A 135 -5.407 7.832 -3.006 1.00 4.53 C ATOM 1952 CE1 HIS A 135 -6.240 9.763 -3.520 1.00 2.11 C ATOM 1953 NE2 HIS A 135 -5.217 8.965 -3.795 1.00 63.33 N ATOM 0 H HIS A 135 -8.245 5.401 0.150 1.00 54.12 H new ATOM 0 HA HIS A 135 -9.010 6.734 -2.318 1.00 51.55 H new ATOM 0 HB2 HIS A 135 -7.586 7.704 -0.468 1.00 14.42 H new ATOM 0 HB3 HIS A 135 -6.380 6.479 -0.810 1.00 14.42 H new ATOM 0 HD1 HIS A 135 -7.898 9.637 -2.254 1.00 2.44 H new ATOM 0 HD2 HIS A 135 -4.757 6.970 -2.978 1.00 4.53 H new ATOM 0 HE1 HIS A 135 -6.395 10.733 -3.969 1.00 2.11 H new ATOM 1961 N SER A 136 -6.866 4.253 -2.177 1.00 30.51 N ATOM 1962 CA SER A 136 -6.174 3.211 -2.898 1.00 42.32 C ATOM 1963 C SER A 136 -5.559 2.308 -1.867 1.00 32.32 C ATOM 1964 O SER A 136 -5.515 2.670 -0.715 1.00 24.32 O ATOM 1965 CB SER A 136 -5.050 3.808 -3.767 1.00 42.31 C ATOM 1966 OG SER A 136 -5.545 4.795 -4.664 1.00 52.12 O ATOM 0 H SER A 136 -6.624 4.283 -1.186 1.00 30.51 H new ATOM 0 HA SER A 136 -6.866 2.678 -3.550 1.00 42.32 H new ATOM 0 HB2 SER A 136 -4.289 4.250 -3.124 1.00 42.31 H new ATOM 0 HB3 SER A 136 -4.566 3.012 -4.333 1.00 42.31 H new ATOM 0 HG SER A 136 -6.515 4.694 -4.759 1.00 52.12 H new ATOM 1972 N VAL A 137 -5.142 1.144 -2.238 1.00 44.15 N ATOM 1973 CA VAL A 137 -4.401 0.298 -1.332 1.00 63.41 C ATOM 1974 C VAL A 137 -3.311 -0.345 -2.151 1.00 70.24 C ATOM 1975 O VAL A 137 -3.478 -0.518 -3.355 1.00 44.00 O ATOM 1976 CB VAL A 137 -5.264 -0.796 -0.583 1.00 14.20 C ATOM 1977 CG1 VAL A 137 -6.514 -0.229 0.080 1.00 11.52 C ATOM 1978 CG2 VAL A 137 -5.613 -1.957 -1.457 1.00 31.02 C ATOM 0 H VAL A 137 -5.297 0.746 -3.164 1.00 44.15 H new ATOM 0 HA VAL A 137 -4.012 0.916 -0.523 1.00 63.41 H new ATOM 0 HB VAL A 137 -4.615 -1.162 0.213 1.00 14.20 H new ATOM 0 HG11 VAL A 137 -7.059 -1.032 0.575 1.00 11.52 H new ATOM 0 HG12 VAL A 137 -6.227 0.522 0.816 1.00 11.52 H new ATOM 0 HG13 VAL A 137 -7.151 0.229 -0.676 1.00 11.52 H new ATOM 0 HG21 VAL A 137 -6.205 -2.675 -0.889 1.00 31.02 H new ATOM 0 HG22 VAL A 137 -6.190 -1.607 -2.313 1.00 31.02 H new ATOM 0 HG23 VAL A 137 -4.699 -2.437 -1.807 1.00 31.02 H new ATOM 1988 N LYS A 138 -2.212 -0.635 -1.559 1.00 5.14 N ATOM 1989 CA LYS A 138 -1.112 -1.201 -2.275 1.00 3.44 C ATOM 1990 C LYS A 138 -0.604 -2.429 -1.571 1.00 12.14 C ATOM 1991 O LYS A 138 -0.377 -2.414 -0.371 1.00 74.44 O ATOM 1992 CB LYS A 138 -0.011 -0.151 -2.392 1.00 31.35 C ATOM 1993 CG LYS A 138 1.241 -0.571 -3.144 1.00 60.31 C ATOM 1994 CD LYS A 138 2.272 0.559 -3.149 1.00 71.35 C ATOM 1995 CE LYS A 138 1.736 1.823 -3.830 1.00 43.40 C ATOM 1996 NZ LYS A 138 2.690 2.950 -3.756 1.00 54.31 N ATOM 0 H LYS A 138 -2.042 -0.490 -0.564 1.00 5.14 H new ATOM 0 HA LYS A 138 -1.436 -1.500 -3.272 1.00 3.44 H new ATOM 0 HB2 LYS A 138 -0.427 0.728 -2.884 1.00 31.35 H new ATOM 0 HB3 LYS A 138 0.280 0.154 -1.387 1.00 31.35 H new ATOM 0 HG2 LYS A 138 1.670 -1.459 -2.680 1.00 60.31 H new ATOM 0 HG3 LYS A 138 0.983 -0.840 -4.168 1.00 60.31 H new ATOM 0 HD2 LYS A 138 2.558 0.793 -2.124 1.00 71.35 H new ATOM 0 HD3 LYS A 138 3.173 0.225 -3.663 1.00 71.35 H new ATOM 0 HE2 LYS A 138 1.516 1.604 -4.875 1.00 43.40 H new ATOM 0 HE3 LYS A 138 0.796 2.115 -3.361 1.00 43.40 H new ATOM 0 HZ1 LYS A 138 2.283 3.781 -4.230 1.00 54.31 H new ATOM 0 HZ2 LYS A 138 2.881 3.178 -2.760 1.00 54.31 H new ATOM 0 HZ3 LYS A 138 3.579 2.684 -4.226 1.00 54.31 H new ATOM 2010 N PHE A 139 -0.444 -3.477 -2.312 1.00 1.21 N ATOM 2011 CA PHE A 139 0.087 -4.699 -1.809 1.00 43.02 C ATOM 2012 C PHE A 139 1.411 -4.920 -2.468 1.00 3.23 C ATOM 2013 O PHE A 139 1.513 -4.860 -3.693 1.00 5.35 O ATOM 2014 CB PHE A 139 -0.840 -5.859 -2.136 1.00 60.41 C ATOM 2015 CG PHE A 139 -2.224 -5.669 -1.618 1.00 22.34 C ATOM 2016 CD1 PHE A 139 -3.296 -5.581 -2.476 1.00 71.20 C ATOM 2017 CD2 PHE A 139 -2.444 -5.571 -0.270 1.00 23.54 C ATOM 2018 CE1 PHE A 139 -4.570 -5.401 -1.983 1.00 53.43 C ATOM 2019 CE2 PHE A 139 -3.705 -5.391 0.234 1.00 2.11 C ATOM 2020 CZ PHE A 139 -4.776 -5.307 -0.623 1.00 52.23 C ATOM 0 H PHE A 139 -0.684 -3.507 -3.303 1.00 1.21 H new ATOM 0 HA PHE A 139 0.191 -4.642 -0.725 1.00 43.02 H new ATOM 0 HB2 PHE A 139 -0.879 -5.991 -3.217 1.00 60.41 H new ATOM 0 HB3 PHE A 139 -0.425 -6.776 -1.718 1.00 60.41 H new ATOM 0 HD1 PHE A 139 -3.138 -5.653 -3.542 1.00 71.20 H new ATOM 0 HD2 PHE A 139 -1.607 -5.637 0.409 1.00 23.54 H new ATOM 0 HE1 PHE A 139 -5.407 -5.334 -2.662 1.00 53.43 H new ATOM 0 HE2 PHE A 139 -3.857 -5.315 1.301 1.00 2.11 H new ATOM 0 HZ PHE A 139 -5.774 -5.168 -0.233 1.00 52.23 H new ATOM 2030 N ILE A 140 2.415 -5.141 -1.700 1.00 5.13 N ATOM 2031 CA ILE A 140 3.731 -5.344 -2.231 1.00 30.15 C ATOM 2032 C ILE A 140 4.322 -6.594 -1.639 1.00 4.01 C ATOM 2033 O ILE A 140 4.793 -6.624 -0.500 1.00 74.23 O ATOM 2034 CB ILE A 140 4.663 -4.088 -2.073 1.00 24.33 C ATOM 2035 CG1 ILE A 140 4.608 -3.520 -0.646 1.00 74.51 C ATOM 2036 CG2 ILE A 140 4.321 -3.017 -3.108 1.00 73.33 C ATOM 2037 CD1 ILE A 140 5.408 -2.245 -0.437 1.00 45.34 C ATOM 0 H ILE A 140 2.357 -5.188 -0.683 1.00 5.13 H new ATOM 0 HA ILE A 140 3.646 -5.481 -3.309 1.00 30.15 H new ATOM 0 HB ILE A 140 5.687 -4.414 -2.254 1.00 24.33 H new ATOM 0 HG12 ILE A 140 3.567 -3.326 -0.387 1.00 74.51 H new ATOM 0 HG13 ILE A 140 4.973 -4.279 0.046 1.00 74.51 H new ATOM 0 HG21 ILE A 140 4.981 -2.159 -2.976 1.00 73.33 H new ATOM 0 HG22 ILE A 140 4.452 -3.425 -4.110 1.00 73.33 H new ATOM 0 HG23 ILE A 140 3.286 -2.702 -2.977 1.00 73.33 H new ATOM 0 HD11 ILE A 140 5.309 -1.919 0.599 1.00 45.34 H new ATOM 0 HD12 ILE A 140 6.458 -2.434 -0.660 1.00 45.34 H new ATOM 0 HD13 ILE A 140 5.031 -1.466 -1.100 1.00 45.34 H new ATOM 2049 N MET A 141 4.233 -7.647 -2.400 1.00 53.22 N ATOM 2050 CA MET A 141 4.672 -8.938 -1.950 1.00 2.45 C ATOM 2051 C MET A 141 6.140 -9.104 -2.169 1.00 25.25 C ATOM 2052 O MET A 141 6.654 -8.779 -3.252 1.00 72.31 O ATOM 2053 CB MET A 141 3.893 -10.068 -2.625 1.00 42.34 C ATOM 2054 CG MET A 141 2.429 -10.147 -2.211 1.00 12.11 C ATOM 2055 SD MET A 141 1.554 -11.540 -2.964 1.00 41.45 S ATOM 2056 CE MET A 141 1.631 -11.106 -4.705 1.00 11.10 C ATOM 0 H MET A 141 3.855 -7.636 -3.347 1.00 53.22 H new ATOM 0 HA MET A 141 4.473 -8.996 -0.880 1.00 2.45 H new ATOM 0 HB2 MET A 141 3.947 -9.937 -3.706 1.00 42.34 H new ATOM 0 HB3 MET A 141 4.377 -11.017 -2.394 1.00 42.34 H new ATOM 0 HG2 MET A 141 2.368 -10.231 -1.126 1.00 12.11 H new ATOM 0 HG3 MET A 141 1.929 -9.219 -2.487 1.00 12.11 H new ATOM 0 HE1 MET A 141 0.642 -11.212 -5.151 1.00 11.10 H new ATOM 0 HE2 MET A 141 1.967 -10.074 -4.808 1.00 11.10 H new ATOM 0 HE3 MET A 141 2.331 -11.768 -5.214 1.00 11.10 H new ATOM 2066 N SER A 142 6.812 -9.560 -1.130 1.00 70.42 N ATOM 2067 CA SER A 142 8.241 -9.809 -1.146 1.00 65.42 C ATOM 2068 C SER A 142 9.043 -8.517 -1.238 1.00 24.42 C ATOM 2069 O SER A 142 10.106 -8.463 -1.871 1.00 42.01 O ATOM 2070 CB SER A 142 8.613 -10.799 -2.249 1.00 25.34 C ATOM 2071 OG SER A 142 8.061 -12.081 -1.982 1.00 34.23 O ATOM 0 H SER A 142 6.372 -9.772 -0.234 1.00 70.42 H new ATOM 0 HA SER A 142 8.507 -10.268 -0.194 1.00 65.42 H new ATOM 0 HB2 SER A 142 8.249 -10.434 -3.210 1.00 25.34 H new ATOM 0 HB3 SER A 142 9.698 -10.874 -2.326 1.00 25.34 H new ATOM 0 HG SER A 142 8.309 -12.700 -2.700 1.00 34.23 H new ATOM 2077 N LYS A 143 8.546 -7.504 -0.550 1.00 12.23 N ATOM 2078 CA LYS A 143 9.224 -6.248 -0.390 1.00 2.40 C ATOM 2079 C LYS A 143 10.444 -6.612 0.444 1.00 32.34 C ATOM 2080 O LYS A 143 10.319 -7.304 1.456 1.00 64.45 O ATOM 2081 CB LYS A 143 8.297 -5.290 0.373 1.00 50.41 C ATOM 2082 CG LYS A 143 8.576 -3.794 0.219 1.00 33.20 C ATOM 2083 CD LYS A 143 9.874 -3.339 0.849 1.00 44.03 C ATOM 2084 CE LYS A 143 10.037 -1.837 0.683 1.00 44.33 C ATOM 2085 NZ LYS A 143 11.272 -1.339 1.308 1.00 33.14 N ATOM 0 H LYS A 143 7.641 -7.541 -0.081 1.00 12.23 H new ATOM 0 HA LYS A 143 9.498 -5.758 -1.324 1.00 2.40 H new ATOM 0 HB2 LYS A 143 7.273 -5.480 0.051 1.00 50.41 H new ATOM 0 HB3 LYS A 143 8.349 -5.538 1.433 1.00 50.41 H new ATOM 0 HG2 LYS A 143 8.593 -3.546 -0.842 1.00 33.20 H new ATOM 0 HG3 LYS A 143 7.753 -3.234 0.664 1.00 33.20 H new ATOM 0 HD2 LYS A 143 9.884 -3.599 1.908 1.00 44.03 H new ATOM 0 HD3 LYS A 143 10.713 -3.857 0.385 1.00 44.03 H new ATOM 0 HE2 LYS A 143 10.044 -1.589 -0.378 1.00 44.33 H new ATOM 0 HE3 LYS A 143 9.179 -1.329 1.123 1.00 44.33 H new ATOM 0 HZ1 LYS A 143 11.341 -0.311 1.170 1.00 33.14 H new ATOM 0 HZ2 LYS A 143 11.256 -1.551 2.326 1.00 33.14 H new ATOM 0 HZ3 LYS A 143 12.094 -1.803 0.871 1.00 33.14 H new