USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 602 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.019) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.702 K(o=0.86,f=-3.6!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.16 K(o=0.86,f=-6.3!) USER MOD Set 3.1: A 15 ASN : amide:sc= 1.17 K(o=2.8,f=-0.16) USER MOD Set 3.2: A 17 THR OG1 : rot 169:sc= 1.63 USER MOD Single : A 8 THR OG1 : rot -23:sc= 0.607 USER MOD Single : A 9 THR OG1 : rot 160:sc= 0.0121 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0052 X(o=-0.0052,f=-0.5) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0782) USER MOD Single : A 23 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.203) USER MOD Single : A 27 THR OG1 : rot 81:sc= 1.32 USER MOD Single : A 29 ASN : amide:sc= 0.122 X(o=0.12,f=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD Single : A 34 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.07) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 3:sc= 1.12 USER MOD Single : A 41 SER OG : rot 180:sc=0.000392 USER MOD Single : A 42 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.027) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 140:sc= -0.0106 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= -0.538! (180deg=-1.69) USER MOD Single : A 57 MET CE :methyl 176:sc= -0.949 (180deg=-0.968) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 174:sc= 0.0582 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.13) USER MOD Single : A 94 GLN : amide:sc= 0.501 K(o=0.5,f=-0.00034) USER MOD Single : A 99 GLN : amide:sc= 0.505 K(o=0.5,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -1.452 17.797 -0.092 1.00 44.21 N ATOM 83 CA THR A 8 -1.416 16.515 -0.752 1.00 54.50 C ATOM 84 C THR A 8 -1.622 15.416 0.286 1.00 4.41 C ATOM 85 O THR A 8 -1.772 15.688 1.483 1.00 64.33 O ATOM 86 CB THR A 8 -0.054 16.392 -1.475 1.00 45.51 C ATOM 87 OG1 THR A 8 0.970 17.137 -0.824 1.00 44.42 O ATOM 88 CG2 THR A 8 -0.191 16.904 -2.902 1.00 3.21 C ATOM 0 HA THR A 8 -2.211 16.417 -1.492 1.00 54.50 H new ATOM 0 HB THR A 8 0.228 15.339 -1.461 1.00 45.51 H new ATOM 0 HG1 THR A 8 0.565 17.852 -0.290 1.00 44.42 H new ATOM 0 HG21 THR A 8 0.768 16.818 -3.413 1.00 3.21 H new ATOM 0 HG22 THR A 8 -0.938 16.312 -3.431 1.00 3.21 H new ATOM 0 HG23 THR A 8 -0.501 17.949 -2.885 1.00 3.21 H new ATOM 96 N THR A 9 -1.620 14.168 -0.173 1.00 50.12 N ATOM 97 CA THR A 9 -1.387 13.021 0.684 1.00 73.13 C ATOM 98 C THR A 9 0.068 12.591 0.586 1.00 1.34 C ATOM 99 O THR A 9 0.892 13.265 -0.038 1.00 12.34 O ATOM 100 CB THR A 9 -2.353 11.894 0.299 1.00 32.24 C ATOM 101 OG1 THR A 9 -2.485 11.709 -1.099 1.00 44.44 O ATOM 102 CG2 THR A 9 -3.695 12.168 0.938 1.00 31.34 C ATOM 0 H THR A 9 -1.781 13.928 -1.151 1.00 50.12 H new ATOM 0 HA THR A 9 -1.578 13.282 1.725 1.00 73.13 H new ATOM 0 HB THR A 9 -1.935 10.959 0.672 1.00 32.24 H new ATOM 0 HG1 THR A 9 -2.837 10.812 -1.279 1.00 44.44 H new ATOM 0 HG21 THR A 9 -4.393 11.374 0.673 1.00 31.34 H new ATOM 0 HG22 THR A 9 -3.581 12.204 2.021 1.00 31.34 H new ATOM 0 HG23 THR A 9 -4.080 13.123 0.581 1.00 31.34 H new ATOM 110 N THR A 10 0.380 11.452 1.186 1.00 44.30 N ATOM 111 CA THR A 10 1.559 10.670 0.895 1.00 71.01 C ATOM 112 C THR A 10 1.111 9.198 0.902 1.00 12.41 C ATOM 113 O THR A 10 0.037 8.910 1.456 1.00 30.30 O ATOM 114 CB THR A 10 2.593 10.945 1.997 1.00 44.42 C ATOM 115 OG1 THR A 10 2.623 12.285 2.468 1.00 14.24 O ATOM 116 CG2 THR A 10 3.996 10.618 1.493 1.00 61.13 C ATOM 0 H THR A 10 -0.204 11.038 1.912 1.00 44.30 H new ATOM 0 HA THR A 10 2.011 10.916 -0.066 1.00 71.01 H new ATOM 0 HB THR A 10 2.284 10.308 2.826 1.00 44.42 H new ATOM 0 HG1 THR A 10 3.305 12.371 3.166 1.00 14.24 H new ATOM 0 HG21 THR A 10 4.721 10.816 2.282 1.00 61.13 H new ATOM 0 HG22 THR A 10 4.045 9.566 1.211 1.00 61.13 H new ATOM 0 HG23 THR A 10 4.225 11.237 0.626 1.00 61.13 H new ATOM 124 N ILE A 11 1.875 8.263 0.323 1.00 64.12 N ATOM 125 CA ILE A 11 1.568 6.834 0.417 1.00 33.14 C ATOM 126 C ILE A 11 2.847 6.104 0.831 1.00 25.43 C ATOM 127 O ILE A 11 3.917 6.390 0.294 1.00 51.55 O ATOM 128 CB ILE A 11 0.939 6.327 -0.905 1.00 32.02 C ATOM 129 CG1 ILE A 11 -0.449 6.976 -1.117 1.00 44.25 C ATOM 130 CG2 ILE A 11 0.784 4.793 -0.885 1.00 3.12 C ATOM 131 CD1 ILE A 11 -1.049 6.791 -2.511 1.00 50.35 C ATOM 0 H ILE A 11 2.714 8.474 -0.218 1.00 64.12 H new ATOM 0 HA ILE A 11 0.815 6.632 1.179 1.00 33.14 H new ATOM 0 HB ILE A 11 1.603 6.605 -1.723 1.00 32.02 H new ATOM 0 HG12 ILE A 11 -1.141 6.563 -0.383 1.00 44.25 H new ATOM 0 HG13 ILE A 11 -0.368 8.044 -0.913 1.00 44.25 H new ATOM 0 HG21 ILE A 11 0.340 4.460 -1.823 1.00 3.12 H new ATOM 0 HG22 ILE A 11 1.763 4.330 -0.762 1.00 3.12 H new ATOM 0 HG23 ILE A 11 0.139 4.503 -0.056 1.00 3.12 H new ATOM 0 HD11 ILE A 11 -2.021 7.282 -2.557 1.00 50.35 H new ATOM 0 HD12 ILE A 11 -0.385 7.231 -3.254 1.00 50.35 H new ATOM 0 HD13 ILE A 11 -1.170 5.727 -2.717 1.00 50.35 H new ATOM 142 N ARG A 12 2.746 5.127 1.745 1.00 65.33 N ATOM 143 CA ARG A 12 3.887 4.409 2.327 1.00 63.25 C ATOM 144 C ARG A 12 3.653 2.905 2.267 1.00 42.24 C ATOM 145 O ARG A 12 2.655 2.413 2.798 1.00 70.55 O ATOM 146 CB ARG A 12 4.175 4.903 3.755 1.00 45.25 C ATOM 147 CG ARG A 12 5.677 4.996 4.080 1.00 71.45 C ATOM 148 CD ARG A 12 6.186 3.907 5.032 1.00 3.03 C ATOM 149 NE ARG A 12 6.529 4.487 6.344 1.00 54.35 N ATOM 150 CZ ARG A 12 6.824 3.825 7.465 1.00 4.44 C ATOM 151 NH1 ARG A 12 7.051 2.519 7.423 1.00 10.31 N ATOM 152 NH2 ARG A 12 6.861 4.470 8.624 1.00 44.31 N ATOM 0 H ARG A 12 1.848 4.808 2.107 1.00 65.33 H new ATOM 0 HA ARG A 12 4.778 4.621 1.736 1.00 63.25 H new ATOM 0 HB2 ARG A 12 3.720 5.884 3.890 1.00 45.25 H new ATOM 0 HB3 ARG A 12 3.698 4.230 4.467 1.00 45.25 H new ATOM 0 HG2 ARG A 12 6.242 4.942 3.149 1.00 71.45 H new ATOM 0 HG3 ARG A 12 5.882 5.972 4.521 1.00 71.45 H new ATOM 0 HD2 ARG A 12 5.423 3.138 5.156 1.00 3.03 H new ATOM 0 HD3 ARG A 12 7.062 3.421 4.603 1.00 3.03 H new ATOM 0 HE ARG A 12 6.542 5.505 6.401 1.00 54.35 H new ATOM 0 HH11 ARG A 12 7.000 2.021 6.534 1.00 10.31 H new ATOM 0 HH12 ARG A 12 7.276 2.013 8.279 1.00 10.31 H new ATOM 0 HH21 ARG A 12 6.664 5.470 8.657 1.00 44.31 H new ATOM 0 HH22 ARG A 12 7.086 3.966 9.481 1.00 44.31 H new ATOM 163 N LEU A 13 4.555 2.167 1.631 1.00 30.51 N ATOM 164 CA LEU A 13 4.455 0.727 1.419 1.00 51.35 C ATOM 165 C LEU A 13 5.480 0.051 2.322 1.00 24.51 C ATOM 166 O LEU A 13 6.645 0.443 2.286 1.00 22.53 O ATOM 167 CB LEU A 13 4.706 0.407 -0.070 1.00 13.10 C ATOM 168 CG LEU A 13 3.471 0.350 -0.990 1.00 62.23 C ATOM 169 CD1 LEU A 13 2.772 -1.006 -0.892 1.00 21.20 C ATOM 170 CD2 LEU A 13 2.465 1.471 -0.732 1.00 62.04 C ATOM 0 H LEU A 13 5.405 2.568 1.235 1.00 30.51 H new ATOM 0 HA LEU A 13 3.461 0.357 1.669 1.00 51.35 H new ATOM 0 HB2 LEU A 13 5.390 1.157 -0.467 1.00 13.10 H new ATOM 0 HB3 LEU A 13 5.217 -0.554 -0.129 1.00 13.10 H new ATOM 0 HG LEU A 13 3.854 0.492 -2.001 1.00 62.23 H new ATOM 0 HD11 LEU A 13 1.905 -1.017 -1.552 1.00 21.20 H new ATOM 0 HD12 LEU A 13 3.464 -1.794 -1.189 1.00 21.20 H new ATOM 0 HD13 LEU A 13 2.449 -1.175 0.135 1.00 21.20 H new ATOM 0 HD21 LEU A 13 1.622 1.368 -1.415 1.00 62.04 H new ATOM 0 HD22 LEU A 13 2.108 1.410 0.296 1.00 62.04 H new ATOM 0 HD23 LEU A 13 2.946 2.436 -0.892 1.00 62.04 H new ATOM 181 N ILE A 14 5.077 -0.954 3.112 1.00 14.34 N ATOM 182 CA ILE A 14 5.959 -1.728 3.986 1.00 13.40 C ATOM 183 C ILE A 14 5.738 -3.231 3.753 1.00 63.11 C ATOM 184 O ILE A 14 4.629 -3.745 3.923 1.00 42.23 O ATOM 185 CB ILE A 14 5.729 -1.382 5.474 1.00 3.11 C ATOM 186 CG1 ILE A 14 5.615 0.117 5.832 1.00 4.44 C ATOM 187 CG2 ILE A 14 6.904 -1.929 6.306 1.00 14.21 C ATOM 188 CD1 ILE A 14 4.267 0.779 5.544 1.00 24.51 C ATOM 0 H ILE A 14 4.104 -1.256 3.159 1.00 14.34 H new ATOM 0 HA ILE A 14 6.989 -1.469 3.740 1.00 13.40 H new ATOM 0 HB ILE A 14 4.762 -1.833 5.695 1.00 3.11 H new ATOM 0 HG12 ILE A 14 5.834 0.233 6.893 1.00 4.44 H new ATOM 0 HG13 ILE A 14 6.387 0.659 5.286 1.00 4.44 H new ATOM 0 HG21 ILE A 14 6.748 -1.688 7.358 1.00 14.21 H new ATOM 0 HG22 ILE A 14 6.962 -3.011 6.186 1.00 14.21 H new ATOM 0 HG23 ILE A 14 7.834 -1.475 5.964 1.00 14.21 H new ATOM 0 HD11 ILE A 14 4.307 1.828 5.836 1.00 24.51 H new ATOM 0 HD12 ILE A 14 4.046 0.707 4.479 1.00 24.51 H new ATOM 0 HD13 ILE A 14 3.485 0.274 6.112 1.00 24.51 H new ATOM 199 N ASN A 15 6.798 -3.948 3.384 1.00 5.02 N ATOM 200 CA ASN A 15 6.794 -5.380 3.111 1.00 11.40 C ATOM 201 C ASN A 15 6.929 -6.258 4.367 1.00 25.53 C ATOM 202 O ASN A 15 7.905 -6.999 4.490 1.00 23.20 O ATOM 203 CB ASN A 15 7.958 -5.705 2.159 1.00 41.15 C ATOM 204 CG ASN A 15 7.842 -7.139 1.640 1.00 11.22 C ATOM 205 OD1 ASN A 15 6.784 -7.765 1.681 1.00 21.31 O ATOM 206 ND2 ASN A 15 8.943 -7.700 1.188 1.00 74.24 N ATOM 0 H ASN A 15 7.720 -3.528 3.263 1.00 5.02 H new ATOM 0 HA ASN A 15 5.824 -5.609 2.670 1.00 11.40 H new ATOM 0 HB2 ASN A 15 7.956 -5.008 1.321 1.00 41.15 H new ATOM 0 HB3 ASN A 15 8.907 -5.576 2.679 1.00 41.15 H new ATOM 0 HD21 ASN A 15 8.927 -8.667 0.865 1.00 74.24 H new ATOM 0 HD22 ASN A 15 9.812 -7.167 1.160 1.00 74.24 H new ATOM 212 N GLN A 16 5.995 -6.203 5.318 1.00 23.12 N ATOM 213 CA GLN A 16 6.155 -6.814 6.648 1.00 64.44 C ATOM 214 C GLN A 16 5.931 -8.347 6.641 1.00 14.31 C ATOM 215 O GLN A 16 5.244 -8.895 7.508 1.00 61.24 O ATOM 216 CB GLN A 16 5.298 -6.055 7.693 1.00 53.14 C ATOM 217 CG GLN A 16 5.540 -4.541 7.615 1.00 64.34 C ATOM 218 CD GLN A 16 4.875 -3.728 8.719 1.00 23.20 C ATOM 219 OE1 GLN A 16 3.724 -3.337 8.614 1.00 53.35 O ATOM 220 NE2 GLN A 16 5.617 -3.341 9.745 1.00 21.31 N ATOM 0 H GLN A 16 5.099 -5.732 5.191 1.00 23.12 H new ATOM 0 HA GLN A 16 7.197 -6.704 6.950 1.00 64.44 H new ATOM 0 HB2 GLN A 16 4.242 -6.266 7.524 1.00 53.14 H new ATOM 0 HB3 GLN A 16 5.539 -6.413 8.694 1.00 53.14 H new ATOM 0 HG2 GLN A 16 6.614 -4.357 7.645 1.00 64.34 H new ATOM 0 HG3 GLN A 16 5.182 -4.179 6.651 1.00 64.34 H new ATOM 0 HE21 GLN A 16 6.579 -3.669 9.831 1.00 21.31 H new ATOM 0 HE22 GLN A 16 5.227 -2.715 10.449 1.00 21.31 H new ATOM 227 N THR A 17 6.548 -9.059 5.694 1.00 3.24 N ATOM 228 CA THR A 17 6.390 -10.483 5.411 1.00 70.51 C ATOM 229 C THR A 17 7.741 -11.200 5.418 1.00 25.22 C ATOM 230 O THR A 17 8.802 -10.576 5.526 1.00 72.15 O ATOM 231 CB THR A 17 5.744 -10.655 4.027 1.00 50.05 C ATOM 232 OG1 THR A 17 6.640 -10.230 3.013 1.00 33.24 O ATOM 233 CG2 THR A 17 4.405 -9.942 3.921 1.00 25.22 C ATOM 0 H THR A 17 7.218 -8.622 5.062 1.00 3.24 H new ATOM 0 HA THR A 17 5.759 -10.918 6.186 1.00 70.51 H new ATOM 0 HB THR A 17 5.537 -11.716 3.887 1.00 50.05 H new ATOM 0 HG1 THR A 17 6.297 -10.505 2.137 1.00 33.24 H new ATOM 0 HG21 THR A 17 3.990 -10.094 2.925 1.00 25.22 H new ATOM 0 HG22 THR A 17 3.718 -10.345 4.666 1.00 25.22 H new ATOM 0 HG23 THR A 17 4.546 -8.876 4.097 1.00 25.22 H new ATOM 241 N TYR A 18 7.704 -12.516 5.181 1.00 22.44 N ATOM 242 CA TYR A 18 8.879 -13.357 4.995 1.00 25.41 C ATOM 243 C TYR A 18 9.407 -13.420 3.547 1.00 50.24 C ATOM 244 O TYR A 18 10.339 -14.190 3.305 1.00 30.21 O ATOM 245 CB TYR A 18 8.625 -14.755 5.585 1.00 4.12 C ATOM 246 CG TYR A 18 7.878 -15.790 4.752 1.00 54.31 C ATOM 247 CD1 TYR A 18 6.930 -15.444 3.764 1.00 64.24 C ATOM 248 CD2 TYR A 18 8.143 -17.148 5.007 1.00 5.33 C ATOM 249 CE1 TYR A 18 6.282 -16.455 3.025 1.00 31.31 C ATOM 250 CE2 TYR A 18 7.492 -18.154 4.280 1.00 10.02 C ATOM 251 CZ TYR A 18 6.576 -17.813 3.265 1.00 1.04 C ATOM 252 OH TYR A 18 6.001 -18.794 2.522 1.00 33.12 O ATOM 0 H TYR A 18 6.828 -13.035 5.112 1.00 22.44 H new ATOM 0 HA TYR A 18 9.689 -12.878 5.545 1.00 25.41 H new ATOM 0 HB2 TYR A 18 9.593 -15.181 5.846 1.00 4.12 H new ATOM 0 HB3 TYR A 18 8.073 -14.623 6.516 1.00 4.12 H new ATOM 0 HD1 TYR A 18 6.702 -14.406 3.575 1.00 64.24 H new ATOM 0 HD2 TYR A 18 8.856 -17.418 5.772 1.00 5.33 H new ATOM 0 HE1 TYR A 18 5.556 -16.188 2.271 1.00 31.31 H new ATOM 0 HE2 TYR A 18 7.693 -19.193 4.498 1.00 10.02 H new ATOM 0 HH TYR A 18 6.322 -19.668 2.829 1.00 33.12 H new ATOM 261 N PHE A 19 8.902 -12.625 2.590 1.00 3.01 N ATOM 262 CA PHE A 19 9.356 -12.660 1.192 1.00 4.13 C ATOM 263 C PHE A 19 9.852 -11.281 0.712 1.00 11.04 C ATOM 264 O PHE A 19 10.040 -10.360 1.511 1.00 61.34 O ATOM 265 CB PHE A 19 8.274 -13.301 0.294 1.00 65.21 C ATOM 266 CG PHE A 19 6.910 -12.644 0.362 1.00 62.51 C ATOM 267 CD1 PHE A 19 6.730 -11.301 -0.021 1.00 52.43 C ATOM 268 CD2 PHE A 19 5.817 -13.366 0.872 1.00 22.53 C ATOM 269 CE1 PHE A 19 5.486 -10.677 0.152 1.00 31.20 C ATOM 270 CE2 PHE A 19 4.591 -12.731 1.081 1.00 54.41 C ATOM 271 CZ PHE A 19 4.421 -11.392 0.714 1.00 65.25 C ATOM 0 H PHE A 19 8.167 -11.940 2.765 1.00 3.01 H new ATOM 0 HA PHE A 19 10.233 -13.302 1.117 1.00 4.13 H new ATOM 0 HB2 PHE A 19 8.621 -13.277 -0.739 1.00 65.21 H new ATOM 0 HB3 PHE A 19 8.169 -14.350 0.571 1.00 65.21 H new ATOM 0 HD1 PHE A 19 7.553 -10.749 -0.450 1.00 52.43 H new ATOM 0 HD2 PHE A 19 5.926 -14.415 1.103 1.00 22.53 H new ATOM 0 HE1 PHE A 19 5.350 -9.648 -0.147 1.00 31.20 H new ATOM 0 HE2 PHE A 19 3.772 -13.275 1.527 1.00 54.41 H new ATOM 0 HZ PHE A 19 3.467 -10.909 0.864 1.00 65.25 H new ATOM 280 N ASN A 20 10.089 -11.160 -0.601 1.00 70.25 N ATOM 281 CA ASN A 20 10.513 -9.986 -1.379 1.00 42.45 C ATOM 282 C ASN A 20 9.470 -9.758 -2.483 1.00 25.41 C ATOM 283 O ASN A 20 8.843 -10.728 -2.917 1.00 31.13 O ATOM 284 CB ASN A 20 11.893 -10.302 -1.988 1.00 25.50 C ATOM 285 CG ASN A 20 12.298 -9.413 -3.165 1.00 42.12 C ATOM 286 OD1 ASN A 20 12.741 -8.286 -2.986 1.00 21.33 O ATOM 287 ND2 ASN A 20 12.204 -9.902 -4.392 1.00 22.22 N ATOM 0 H ASN A 20 9.976 -11.970 -1.211 1.00 70.25 H new ATOM 0 HA ASN A 20 10.589 -9.089 -0.765 1.00 42.45 H new ATOM 0 HB2 ASN A 20 12.648 -10.211 -1.207 1.00 25.50 H new ATOM 0 HB3 ASN A 20 11.899 -11.341 -2.318 1.00 25.50 H new ATOM 0 HD21 ASN A 20 12.501 -9.339 -5.189 1.00 22.22 H new ATOM 0 HD22 ASN A 20 11.835 -10.841 -4.540 1.00 22.22 H new ATOM 293 N VAL A 21 9.265 -8.525 -2.950 1.00 30.34 N ATOM 294 CA VAL A 21 8.261 -8.173 -3.963 1.00 61.55 C ATOM 295 C VAL A 21 8.852 -7.108 -4.895 1.00 25.14 C ATOM 296 O VAL A 21 9.565 -6.221 -4.444 1.00 14.30 O ATOM 297 CB VAL A 21 6.955 -7.684 -3.302 1.00 31.41 C ATOM 298 CG1 VAL A 21 6.097 -8.823 -2.761 1.00 4.21 C ATOM 299 CG2 VAL A 21 7.196 -6.727 -2.135 1.00 5.32 C ATOM 0 H VAL A 21 9.805 -7.722 -2.628 1.00 30.34 H new ATOM 0 HA VAL A 21 8.006 -9.057 -4.547 1.00 61.55 H new ATOM 0 HB VAL A 21 6.437 -7.170 -4.112 1.00 31.41 H new ATOM 0 HG11 VAL A 21 5.193 -8.415 -2.309 1.00 4.21 H new ATOM 0 HG12 VAL A 21 5.824 -9.492 -3.577 1.00 4.21 H new ATOM 0 HG13 VAL A 21 6.660 -9.378 -2.010 1.00 4.21 H new ATOM 0 HG21 VAL A 21 6.239 -6.419 -1.713 1.00 5.32 H new ATOM 0 HG22 VAL A 21 7.786 -7.229 -1.368 1.00 5.32 H new ATOM 0 HG23 VAL A 21 7.735 -5.849 -2.490 1.00 5.32 H new ATOM 309 N LYS A 22 8.578 -7.173 -6.200 1.00 32.30 N ATOM 310 CA LYS A 22 9.424 -6.519 -7.219 1.00 22.50 C ATOM 311 C LYS A 22 8.631 -5.946 -8.380 1.00 23.50 C ATOM 312 O LYS A 22 9.100 -5.885 -9.513 1.00 44.44 O ATOM 313 CB LYS A 22 10.506 -7.510 -7.671 1.00 4.03 C ATOM 314 CG LYS A 22 9.927 -8.826 -8.229 1.00 63.14 C ATOM 315 CD LYS A 22 9.840 -9.950 -7.185 1.00 74.24 C ATOM 316 CE LYS A 22 8.892 -11.043 -7.683 1.00 12.31 C ATOM 317 NZ LYS A 22 9.366 -11.647 -8.947 1.00 23.22 N ATOM 0 H LYS A 22 7.775 -7.672 -6.584 1.00 32.30 H new ATOM 0 HA LYS A 22 9.901 -5.649 -6.767 1.00 22.50 H new ATOM 0 HB2 LYS A 22 11.125 -7.039 -8.435 1.00 4.03 H new ATOM 0 HB3 LYS A 22 11.158 -7.736 -6.827 1.00 4.03 H new ATOM 0 HG2 LYS A 22 8.931 -8.635 -8.629 1.00 63.14 H new ATOM 0 HG3 LYS A 22 10.546 -9.161 -9.061 1.00 63.14 H new ATOM 0 HD2 LYS A 22 10.830 -10.369 -7.004 1.00 74.24 H new ATOM 0 HD3 LYS A 22 9.484 -9.551 -6.235 1.00 74.24 H new ATOM 0 HE2 LYS A 22 8.799 -11.818 -6.922 1.00 12.31 H new ATOM 0 HE3 LYS A 22 7.898 -10.622 -7.832 1.00 12.31 H new ATOM 0 HZ1 LYS A 22 8.786 -12.480 -9.173 1.00 23.22 H new ATOM 0 HZ2 LYS A 22 9.286 -10.951 -9.716 1.00 23.22 H new ATOM 0 HZ3 LYS A 22 10.360 -11.935 -8.843 1.00 23.22 H new ATOM 327 N ASN A 23 7.375 -5.630 -8.102 1.00 52.34 N ATOM 328 CA ASN A 23 6.336 -5.440 -9.101 1.00 22.52 C ATOM 329 C ASN A 23 5.045 -4.900 -8.468 1.00 61.23 C ATOM 330 O ASN A 23 3.953 -5.153 -8.975 1.00 33.10 O ATOM 331 CB ASN A 23 6.060 -6.793 -9.816 1.00 13.02 C ATOM 332 CG ASN A 23 5.956 -7.981 -8.863 1.00 75.43 C ATOM 333 OD1 ASN A 23 6.549 -9.031 -9.061 1.00 55.43 O ATOM 334 ND2 ASN A 23 5.302 -7.823 -7.726 1.00 2.11 N ATOM 0 H ASN A 23 7.042 -5.495 -7.147 1.00 52.34 H new ATOM 0 HA ASN A 23 6.680 -4.703 -9.827 1.00 22.52 H new ATOM 0 HB2 ASN A 23 5.133 -6.711 -10.383 1.00 13.02 H new ATOM 0 HB3 ASN A 23 6.857 -6.983 -10.534 1.00 13.02 H new ATOM 0 HD21 ASN A 23 5.298 -8.570 -7.032 1.00 2.11 H new ATOM 0 HD22 ASN A 23 4.801 -6.954 -7.542 1.00 2.11 H new ATOM 340 N ILE A 24 5.114 -4.298 -7.279 1.00 64.23 N ATOM 341 CA ILE A 24 3.933 -3.839 -6.552 1.00 30.52 C ATOM 342 C ILE A 24 3.282 -2.727 -7.381 1.00 2.34 C ATOM 343 O ILE A 24 3.948 -1.731 -7.682 1.00 41.03 O ATOM 344 CB ILE A 24 4.342 -3.310 -5.157 1.00 42.44 C ATOM 345 CG1 ILE A 24 5.175 -4.312 -4.330 1.00 44.14 C ATOM 346 CG2 ILE A 24 3.139 -2.879 -4.306 1.00 21.42 C ATOM 347 CD1 ILE A 24 5.732 -3.629 -3.080 1.00 42.23 C ATOM 0 H ILE A 24 5.993 -4.116 -6.794 1.00 64.23 H new ATOM 0 HA ILE A 24 3.229 -4.658 -6.403 1.00 30.52 H new ATOM 0 HB ILE A 24 4.962 -2.443 -5.387 1.00 42.44 H new ATOM 0 HG12 ILE A 24 4.556 -5.162 -4.044 1.00 44.14 H new ATOM 0 HG13 ILE A 24 5.993 -4.703 -4.935 1.00 44.14 H new ATOM 0 HG21 ILE A 24 3.488 -2.517 -3.339 1.00 21.42 H new ATOM 0 HG22 ILE A 24 2.598 -2.083 -4.817 1.00 21.42 H new ATOM 0 HG23 ILE A 24 2.475 -3.731 -4.157 1.00 21.42 H new ATOM 0 HD11 ILE A 24 6.318 -4.346 -2.504 1.00 42.23 H new ATOM 0 HD12 ILE A 24 6.368 -2.794 -3.374 1.00 42.23 H new ATOM 0 HD13 ILE A 24 4.908 -3.260 -2.469 1.00 42.23 H new ATOM 358 N LYS A 25 2.003 -2.869 -7.723 1.00 31.43 N ATOM 359 CA LYS A 25 1.163 -1.831 -8.311 1.00 52.53 C ATOM 360 C LYS A 25 0.274 -1.336 -7.170 1.00 74.05 C ATOM 361 O LYS A 25 -0.372 -2.148 -6.502 1.00 40.51 O ATOM 362 CB LYS A 25 0.340 -2.470 -9.459 1.00 54.41 C ATOM 363 CG LYS A 25 -0.013 -1.665 -10.718 1.00 2.24 C ATOM 364 CD LYS A 25 -0.578 -0.261 -10.495 1.00 11.14 C ATOM 365 CE LYS A 25 -2.072 -0.246 -10.142 1.00 54.15 C ATOM 366 NZ LYS A 25 -2.927 -0.411 -11.336 1.00 64.13 N ATOM 0 H LYS A 25 1.504 -3.749 -7.592 1.00 31.43 H new ATOM 0 HA LYS A 25 1.722 -0.998 -8.737 1.00 52.53 H new ATOM 0 HB2 LYS A 25 0.884 -3.356 -9.788 1.00 54.41 H new ATOM 0 HB3 LYS A 25 -0.599 -2.815 -9.026 1.00 54.41 H new ATOM 0 HG2 LYS A 25 0.885 -1.578 -11.330 1.00 2.24 H new ATOM 0 HG3 LYS A 25 -0.739 -2.237 -11.296 1.00 2.24 H new ATOM 0 HD2 LYS A 25 -0.019 0.223 -9.694 1.00 11.14 H new ATOM 0 HD3 LYS A 25 -0.421 0.332 -11.396 1.00 11.14 H new ATOM 0 HE2 LYS A 25 -2.284 -1.045 -9.432 1.00 54.15 H new ATOM 0 HE3 LYS A 25 -2.318 0.694 -9.648 1.00 54.15 H new ATOM 0 HZ1 LYS A 25 -3.866 -0.004 -11.150 1.00 64.13 H new ATOM 0 HZ2 LYS A 25 -2.492 0.078 -12.145 1.00 64.13 H new ATOM 0 HZ3 LYS A 25 -3.026 -1.423 -11.555 1.00 64.13 H new ATOM 376 N VAL A 26 0.206 -0.028 -6.936 1.00 3.44 N ATOM 377 CA VAL A 26 -0.784 0.553 -6.038 1.00 75.15 C ATOM 378 C VAL A 26 -1.712 1.403 -6.903 1.00 40.25 C ATOM 379 O VAL A 26 -1.287 1.930 -7.932 1.00 62.31 O ATOM 380 CB VAL A 26 -0.077 1.323 -4.904 1.00 2.54 C ATOM 381 CG1 VAL A 26 0.431 2.692 -5.362 1.00 63.13 C ATOM 382 CG2 VAL A 26 -0.980 1.512 -3.680 1.00 14.42 C ATOM 0 H VAL A 26 0.833 0.655 -7.362 1.00 3.44 H new ATOM 0 HA VAL A 26 -1.389 -0.197 -5.528 1.00 75.15 H new ATOM 0 HB VAL A 26 0.776 0.705 -4.623 1.00 2.54 H new ATOM 0 HG11 VAL A 26 0.921 3.196 -4.529 1.00 63.13 H new ATOM 0 HG12 VAL A 26 1.143 2.562 -6.177 1.00 63.13 H new ATOM 0 HG13 VAL A 26 -0.409 3.295 -5.707 1.00 63.13 H new ATOM 0 HG21 VAL A 26 -0.438 2.059 -2.909 1.00 14.42 H new ATOM 0 HG22 VAL A 26 -1.869 2.074 -3.967 1.00 14.42 H new ATOM 0 HG23 VAL A 26 -1.276 0.537 -3.293 1.00 14.42 H new ATOM 392 N THR A 27 -2.952 1.576 -6.469 1.00 33.14 N ATOM 393 CA THR A 27 -3.924 2.477 -7.072 1.00 64.14 C ATOM 394 C THR A 27 -4.479 3.291 -5.907 1.00 34.34 C ATOM 395 O THR A 27 -4.630 2.724 -4.821 1.00 43.22 O ATOM 396 CB THR A 27 -5.024 1.667 -7.789 1.00 72.01 C ATOM 397 OG1 THR A 27 -4.530 0.428 -8.279 1.00 32.14 O ATOM 398 CG2 THR A 27 -5.656 2.434 -8.948 1.00 41.41 C ATOM 0 H THR A 27 -3.322 1.076 -5.660 1.00 33.14 H new ATOM 0 HA THR A 27 -3.488 3.127 -7.831 1.00 64.14 H new ATOM 0 HB THR A 27 -5.788 1.483 -7.034 1.00 72.01 H new ATOM 0 HG1 THR A 27 -4.504 -0.226 -7.549 1.00 32.14 H new ATOM 0 HG21 THR A 27 -6.423 1.818 -9.417 1.00 41.41 H new ATOM 0 HG22 THR A 27 -6.107 3.353 -8.573 1.00 41.41 H new ATOM 0 HG23 THR A 27 -4.889 2.680 -9.683 1.00 41.41 H new ATOM 406 N TRP A 28 -4.748 4.584 -6.084 1.00 33.30 N ATOM 407 CA TRP A 28 -5.205 5.480 -5.013 1.00 52.52 C ATOM 408 C TRP A 28 -6.335 6.392 -5.482 1.00 15.41 C ATOM 409 O TRP A 28 -6.542 7.498 -4.983 1.00 22.33 O ATOM 410 CB TRP A 28 -4.022 6.269 -4.458 1.00 34.20 C ATOM 411 CG TRP A 28 -3.328 7.215 -5.382 1.00 32.24 C ATOM 412 CD1 TRP A 28 -3.607 8.525 -5.572 1.00 14.54 C ATOM 413 CD2 TRP A 28 -2.149 6.944 -6.168 1.00 44.23 C ATOM 414 NE1 TRP A 28 -2.653 9.086 -6.405 1.00 52.12 N ATOM 415 CE2 TRP A 28 -1.693 8.158 -6.743 1.00 23.14 C ATOM 416 CE3 TRP A 28 -1.395 5.782 -6.388 1.00 71.12 C ATOM 417 CZ2 TRP A 28 -0.488 8.231 -7.444 1.00 43.11 C ATOM 418 CZ3 TRP A 28 -0.195 5.835 -7.125 1.00 34.32 C ATOM 419 CH2 TRP A 28 0.259 7.060 -7.654 1.00 40.21 C ATOM 0 H TRP A 28 -4.654 5.049 -6.987 1.00 33.30 H new ATOM 0 HA TRP A 28 -5.619 4.875 -4.207 1.00 52.52 H new ATOM 0 HB2 TRP A 28 -4.372 6.837 -3.596 1.00 34.20 H new ATOM 0 HB3 TRP A 28 -3.284 5.555 -4.091 1.00 34.20 H new ATOM 0 HD1 TRP A 28 -4.445 9.052 -5.140 1.00 14.54 H new ATOM 0 HE1 TRP A 28 -2.660 10.055 -6.725 1.00 52.12 H new ATOM 0 HE3 TRP A 28 -1.737 4.838 -5.989 1.00 71.12 H new ATOM 0 HZ2 TRP A 28 -0.133 9.179 -7.821 1.00 43.11 H new ATOM 0 HZ3 TRP A 28 0.379 4.934 -7.285 1.00 34.32 H new ATOM 0 HH2 TRP A 28 1.179 7.098 -8.219 1.00 40.21 H new ATOM 429 N ASN A 29 -7.046 5.966 -6.514 1.00 21.00 N ATOM 430 CA ASN A 29 -8.180 6.687 -7.060 1.00 44.45 C ATOM 431 C ASN A 29 -8.904 5.789 -8.045 1.00 4.30 C ATOM 432 O ASN A 29 -8.492 4.646 -8.243 1.00 73.01 O ATOM 433 CB ASN A 29 -7.727 7.985 -7.746 1.00 51.12 C ATOM 434 CG ASN A 29 -8.682 9.088 -7.349 1.00 72.34 C ATOM 435 OD1 ASN A 29 -9.551 9.457 -8.129 1.00 32.11 O ATOM 436 ND2 ASN A 29 -8.577 9.556 -6.118 1.00 62.30 N ATOM 0 H ASN A 29 -6.846 5.093 -7.003 1.00 21.00 H new ATOM 0 HA ASN A 29 -8.855 6.962 -6.250 1.00 44.45 H new ATOM 0 HB2 ASN A 29 -6.710 8.238 -7.447 1.00 51.12 H new ATOM 0 HB3 ASN A 29 -7.720 7.860 -8.829 1.00 51.12 H new ATOM 0 HD21 ASN A 29 -9.238 10.256 -5.780 1.00 62.30 H new ATOM 0 HD22 ASN A 29 -7.835 9.217 -5.505 1.00 62.30 H new ATOM 442 N ASP A 30 -9.947 6.297 -8.694 1.00 62.31 N ATOM 443 CA ASP A 30 -10.571 5.612 -9.824 1.00 23.02 C ATOM 444 C ASP A 30 -9.743 5.923 -11.076 1.00 53.14 C ATOM 445 O ASP A 30 -10.218 6.596 -11.994 1.00 12.44 O ATOM 446 CB ASP A 30 -12.071 5.982 -9.934 1.00 4.24 C ATOM 447 CG ASP A 30 -12.982 5.126 -9.044 1.00 63.23 C ATOM 448 OD1 ASP A 30 -12.485 4.203 -8.355 1.00 62.45 O ATOM 449 OD2 ASP A 30 -14.217 5.338 -9.047 1.00 51.55 O ATOM 0 H ASP A 30 -10.382 7.188 -8.455 1.00 62.31 H new ATOM 0 HA ASP A 30 -10.569 4.531 -9.688 1.00 23.02 H new ATOM 0 HB2 ASP A 30 -12.198 7.031 -9.667 1.00 4.24 H new ATOM 0 HB3 ASP A 30 -12.388 5.876 -10.972 1.00 4.24 H new ATOM 453 N GLY A 31 -8.492 5.450 -11.103 1.00 24.22 N ATOM 454 CA GLY A 31 -7.616 5.479 -12.272 1.00 64.42 C ATOM 455 C GLY A 31 -6.182 5.957 -12.013 1.00 22.40 C ATOM 456 O GLY A 31 -5.382 5.948 -12.951 1.00 4.40 O ATOM 0 H GLY A 31 -8.052 5.025 -10.287 1.00 24.22 H new ATOM 0 HA2 GLY A 31 -7.575 4.476 -12.698 1.00 64.42 H new ATOM 0 HA3 GLY A 31 -8.066 6.127 -13.025 1.00 64.42 H new ATOM 460 N LYS A 32 -5.819 6.410 -10.805 1.00 40.31 N ATOM 461 CA LYS A 32 -4.463 6.870 -10.509 1.00 1.52 C ATOM 462 C LYS A 32 -3.639 5.740 -9.898 1.00 33.21 C ATOM 463 O LYS A 32 -4.031 5.215 -8.854 1.00 34.34 O ATOM 464 CB LYS A 32 -4.506 8.094 -9.578 1.00 21.03 C ATOM 465 CG LYS A 32 -3.551 9.203 -10.031 1.00 75.42 C ATOM 466 CD LYS A 32 -2.084 8.776 -10.242 1.00 71.21 C ATOM 467 CE LYS A 32 -1.728 8.675 -11.729 1.00 2.34 C ATOM 468 NZ LYS A 32 -0.292 8.400 -11.941 1.00 54.44 N ATOM 0 H LYS A 32 -6.457 6.466 -10.011 1.00 40.31 H new ATOM 0 HA LYS A 32 -3.982 7.171 -11.440 1.00 1.52 H new ATOM 0 HB2 LYS A 32 -5.523 8.485 -9.543 1.00 21.03 H new ATOM 0 HB3 LYS A 32 -4.247 7.786 -8.565 1.00 21.03 H new ATOM 0 HG2 LYS A 32 -3.926 9.622 -10.965 1.00 75.42 H new ATOM 0 HG3 LYS A 32 -3.575 10.003 -9.291 1.00 75.42 H new ATOM 0 HD2 LYS A 32 -1.423 9.495 -9.758 1.00 71.21 H new ATOM 0 HD3 LYS A 32 -1.913 7.813 -9.761 1.00 71.21 H new ATOM 0 HE2 LYS A 32 -2.320 7.884 -12.190 1.00 2.34 H new ATOM 0 HE3 LYS A 32 -1.996 9.606 -12.229 1.00 2.34 H new ATOM 0 HZ1 LYS A 32 -0.094 8.357 -12.961 1.00 54.44 H new ATOM 0 HZ2 LYS A 32 0.274 9.159 -11.510 1.00 54.44 H new ATOM 0 HZ3 LYS A 32 -0.044 7.491 -11.501 1.00 54.44 H new ATOM 478 N GLU A 33 -2.499 5.405 -10.507 1.00 33.30 N ATOM 479 CA GLU A 33 -1.574 4.380 -10.041 1.00 23.12 C ATOM 480 C GLU A 33 -0.102 4.810 -10.178 1.00 42.42 C ATOM 481 O GLU A 33 0.186 5.896 -10.700 1.00 64.22 O ATOM 482 CB GLU A 33 -1.867 3.069 -10.790 1.00 3.11 C ATOM 483 CG GLU A 33 -1.887 3.125 -12.325 1.00 44.45 C ATOM 484 CD GLU A 33 -0.553 3.579 -12.917 1.00 63.23 C ATOM 485 OE1 GLU A 33 0.459 2.875 -12.714 1.00 72.04 O ATOM 486 OE2 GLU A 33 -0.529 4.670 -13.536 1.00 23.14 O ATOM 0 H GLU A 33 -2.188 5.858 -11.367 1.00 33.30 H new ATOM 0 HA GLU A 33 -1.730 4.225 -8.973 1.00 23.12 H new ATOM 0 HB2 GLU A 33 -1.120 2.334 -10.489 1.00 3.11 H new ATOM 0 HB3 GLU A 33 -2.835 2.697 -10.453 1.00 3.11 H new ATOM 0 HG2 GLU A 33 -2.137 2.139 -12.717 1.00 44.45 H new ATOM 0 HG3 GLU A 33 -2.674 3.806 -12.649 1.00 44.45 H new ATOM 491 N GLN A 34 0.811 3.956 -9.688 1.00 60.01 N ATOM 492 CA GLN A 34 2.230 3.842 -10.053 1.00 40.23 C ATOM 493 C GLN A 34 2.781 2.498 -9.530 1.00 55.11 C ATOM 494 O GLN A 34 2.067 1.807 -8.785 1.00 54.33 O ATOM 495 CB GLN A 34 3.046 5.066 -9.588 1.00 43.11 C ATOM 496 CG GLN A 34 3.565 5.096 -8.144 1.00 61.13 C ATOM 497 CD GLN A 34 5.059 4.777 -8.097 1.00 61.43 C ATOM 498 OE1 GLN A 34 5.879 5.504 -8.645 1.00 70.12 O ATOM 499 NE2 GLN A 34 5.465 3.701 -7.457 1.00 30.31 N ATOM 0 H GLN A 34 0.556 3.276 -8.972 1.00 60.01 H new ATOM 0 HA GLN A 34 2.327 3.842 -11.139 1.00 40.23 H new ATOM 0 HB2 GLN A 34 3.906 5.162 -10.251 1.00 43.11 H new ATOM 0 HB3 GLN A 34 2.428 5.952 -9.736 1.00 43.11 H new ATOM 0 HG2 GLN A 34 3.385 6.079 -7.708 1.00 61.13 H new ATOM 0 HG3 GLN A 34 3.015 4.374 -7.540 1.00 61.13 H new ATOM 0 HE21 GLN A 34 4.786 3.093 -6.999 1.00 30.31 H new ATOM 0 HE22 GLN A 34 6.459 3.475 -7.419 1.00 30.31 H new ATOM 506 N THR A 35 4.027 2.118 -9.862 1.00 52.11 N ATOM 507 CA THR A 35 4.583 0.811 -9.486 1.00 62.23 C ATOM 508 C THR A 35 5.971 0.920 -8.830 1.00 10.30 C ATOM 509 O THR A 35 6.807 1.712 -9.266 1.00 13.21 O ATOM 510 CB THR A 35 4.574 -0.132 -10.705 1.00 75.11 C ATOM 511 OG1 THR A 35 5.456 0.291 -11.723 1.00 62.14 O ATOM 512 CG2 THR A 35 3.192 -0.247 -11.337 1.00 42.12 C ATOM 0 H THR A 35 4.670 2.704 -10.394 1.00 52.11 H new ATOM 0 HA THR A 35 3.942 0.379 -8.717 1.00 62.23 H new ATOM 0 HB THR A 35 4.892 -1.096 -10.308 1.00 75.11 H new ATOM 0 HG1 THR A 35 5.416 -0.339 -12.473 1.00 62.14 H new ATOM 0 HG21 THR A 35 3.238 -0.922 -12.192 1.00 42.12 H new ATOM 0 HG22 THR A 35 2.488 -0.638 -10.603 1.00 42.12 H new ATOM 0 HG23 THR A 35 2.861 0.737 -11.669 1.00 42.12 H new ATOM 520 N VAL A 36 6.241 0.132 -7.781 1.00 2.40 N ATOM 521 CA VAL A 36 7.481 0.233 -6.999 1.00 22.12 C ATOM 522 C VAL A 36 8.568 -0.614 -7.654 1.00 2.14 C ATOM 523 O VAL A 36 8.293 -1.739 -8.082 1.00 61.32 O ATOM 524 CB VAL A 36 7.228 -0.177 -5.531 1.00 3.12 C ATOM 525 CG1 VAL A 36 8.501 -0.274 -4.679 1.00 34.54 C ATOM 526 CG2 VAL A 36 6.300 0.823 -4.839 1.00 64.24 C ATOM 0 H VAL A 36 5.606 -0.594 -7.450 1.00 2.40 H new ATOM 0 HA VAL A 36 7.824 1.267 -6.986 1.00 22.12 H new ATOM 0 HB VAL A 36 6.780 -1.169 -5.597 1.00 3.12 H new ATOM 0 HG11 VAL A 36 8.237 -0.567 -3.663 1.00 34.54 H new ATOM 0 HG12 VAL A 36 9.171 -1.019 -5.109 1.00 34.54 H new ATOM 0 HG13 VAL A 36 9.000 0.695 -4.660 1.00 34.54 H new ATOM 0 HG21 VAL A 36 6.136 0.513 -3.807 1.00 64.24 H new ATOM 0 HG22 VAL A 36 6.756 1.813 -4.853 1.00 64.24 H new ATOM 0 HG23 VAL A 36 5.345 0.856 -5.363 1.00 64.24 H new ATOM 536 N ASN A 37 9.812 -0.123 -7.653 1.00 14.40 N ATOM 537 CA ASN A 37 10.970 -0.812 -8.220 1.00 23.51 C ATOM 538 C ASN A 37 11.163 -2.206 -7.613 1.00 11.31 C ATOM 539 O ASN A 37 11.148 -3.204 -8.331 1.00 25.24 O ATOM 540 CB ASN A 37 12.224 0.046 -8.032 1.00 71.55 C ATOM 541 CG ASN A 37 13.375 -0.511 -8.853 1.00 42.41 C ATOM 542 OD1 ASN A 37 13.407 -0.334 -10.069 1.00 63.23 O ATOM 543 ND2 ASN A 37 14.315 -1.223 -8.255 1.00 51.31 N ATOM 0 H ASN A 37 10.044 0.784 -7.249 1.00 14.40 H new ATOM 0 HA ASN A 37 10.790 -0.956 -9.285 1.00 23.51 H new ATOM 0 HB2 ASN A 37 12.018 1.073 -8.333 1.00 71.55 H new ATOM 0 HB3 ASN A 37 12.500 0.072 -6.978 1.00 71.55 H new ATOM 0 HD21 ASN A 37 15.073 -1.629 -8.803 1.00 51.31 H new ATOM 0 HD22 ASN A 37 14.282 -1.366 -7.246 1.00 51.31 H new ATOM 549 N THR A 38 11.322 -2.293 -6.291 1.00 72.11 N ATOM 550 CA THR A 38 11.286 -3.493 -5.462 1.00 64.34 C ATOM 551 C THR A 38 11.042 -3.046 -4.015 1.00 1.20 C ATOM 552 O THR A 38 11.265 -1.883 -3.683 1.00 63.41 O ATOM 553 CB THR A 38 12.609 -4.269 -5.620 1.00 44.33 C ATOM 554 OG1 THR A 38 12.747 -4.816 -6.922 1.00 2.10 O ATOM 555 CG2 THR A 38 12.774 -5.450 -4.671 1.00 5.14 C ATOM 0 H THR A 38 11.493 -1.458 -5.731 1.00 72.11 H new ATOM 0 HA THR A 38 10.485 -4.169 -5.764 1.00 64.34 H new ATOM 0 HB THR A 38 13.361 -3.512 -5.398 1.00 44.33 H new ATOM 0 HG1 THR A 38 11.980 -4.550 -7.471 1.00 2.10 H new ATOM 0 HG21 THR A 38 13.733 -5.934 -4.856 1.00 5.14 H new ATOM 0 HG22 THR A 38 12.738 -5.096 -3.641 1.00 5.14 H new ATOM 0 HG23 THR A 38 11.969 -6.165 -4.837 1.00 5.14 H new ATOM 563 N LEU A 39 10.558 -3.963 -3.180 1.00 21.33 N ATOM 564 CA LEU A 39 10.485 -3.850 -1.741 1.00 24.34 C ATOM 565 C LEU A 39 11.035 -5.150 -1.164 1.00 72.52 C ATOM 566 O LEU A 39 10.400 -6.206 -1.271 1.00 34.34 O ATOM 567 CB LEU A 39 9.045 -3.546 -1.302 1.00 1.14 C ATOM 568 CG LEU A 39 8.964 -2.649 -0.070 1.00 72.42 C ATOM 569 CD1 LEU A 39 9.666 -1.312 -0.346 1.00 4.34 C ATOM 570 CD2 LEU A 39 7.481 -2.387 0.226 1.00 5.04 C ATOM 0 H LEU A 39 10.188 -4.851 -3.517 1.00 21.33 H new ATOM 0 HA LEU A 39 11.082 -3.019 -1.365 1.00 24.34 H new ATOM 0 HB2 LEU A 39 8.515 -3.068 -2.126 1.00 1.14 H new ATOM 0 HB3 LEU A 39 8.531 -4.484 -1.094 1.00 1.14 H new ATOM 0 HG LEU A 39 9.450 -3.133 0.777 1.00 72.42 H new ATOM 0 HD11 LEU A 39 9.603 -0.679 0.539 1.00 4.34 H new ATOM 0 HD12 LEU A 39 10.713 -1.494 -0.588 1.00 4.34 H new ATOM 0 HD13 LEU A 39 9.181 -0.813 -1.185 1.00 4.34 H new ATOM 0 HD21 LEU A 39 7.393 -1.747 1.104 1.00 5.04 H new ATOM 0 HD22 LEU A 39 7.021 -1.894 -0.630 1.00 5.04 H new ATOM 0 HD23 LEU A 39 6.975 -3.334 0.415 1.00 5.04 H new ATOM 581 N GLY A 40 12.253 -5.082 -0.636 1.00 43.23 N ATOM 582 CA GLY A 40 12.940 -6.211 -0.032 1.00 51.42 C ATOM 583 C GLY A 40 12.277 -6.679 1.266 1.00 45.34 C ATOM 584 O GLY A 40 11.226 -6.187 1.676 1.00 74.11 O ATOM 0 H GLY A 40 12.799 -4.221 -0.617 1.00 43.23 H new ATOM 0 HA2 GLY A 40 12.965 -7.038 -0.741 1.00 51.42 H new ATOM 0 HA3 GLY A 40 13.975 -5.935 0.172 1.00 51.42 H new ATOM 588 N SER A 41 12.878 -7.676 1.903 1.00 42.42 N ATOM 589 CA SER A 41 12.419 -8.304 3.135 1.00 42.31 C ATOM 590 C SER A 41 12.212 -7.279 4.262 1.00 42.33 C ATOM 591 O SER A 41 13.177 -6.633 4.664 1.00 62.15 O ATOM 592 CB SER A 41 13.389 -9.445 3.508 1.00 1.04 C ATOM 593 OG SER A 41 14.783 -9.157 3.412 1.00 11.22 O ATOM 0 H SER A 41 13.743 -8.090 1.556 1.00 42.42 H new ATOM 0 HA SER A 41 11.433 -8.741 2.978 1.00 42.31 H new ATOM 0 HB2 SER A 41 13.175 -9.753 4.531 1.00 1.04 H new ATOM 0 HB3 SER A 41 13.173 -10.299 2.866 1.00 1.04 H new ATOM 0 HG SER A 41 15.299 -9.948 3.673 1.00 11.22 H new ATOM 598 N HIS A 42 10.972 -7.115 4.750 1.00 30.32 N ATOM 599 CA HIS A 42 10.571 -6.113 5.748 1.00 12.00 C ATOM 600 C HIS A 42 10.818 -4.658 5.324 1.00 74.11 C ATOM 601 O HIS A 42 10.639 -3.749 6.143 1.00 54.41 O ATOM 602 CB HIS A 42 11.078 -6.486 7.154 1.00 44.05 C ATOM 603 CG HIS A 42 9.969 -7.015 8.035 1.00 65.53 C ATOM 604 ND1 HIS A 42 9.264 -6.294 8.975 1.00 14.23 N ATOM 605 CD2 HIS A 42 9.437 -8.277 7.998 1.00 62.31 C ATOM 606 CE1 HIS A 42 8.345 -7.116 9.513 1.00 12.10 C ATOM 607 NE2 HIS A 42 8.396 -8.328 8.934 1.00 53.35 N ATOM 0 H HIS A 42 10.192 -7.699 4.448 1.00 30.32 H new ATOM 0 HA HIS A 42 9.483 -6.147 5.808 1.00 12.00 H new ATOM 0 HB2 HIS A 42 11.863 -7.238 7.069 1.00 44.05 H new ATOM 0 HB3 HIS A 42 11.526 -5.609 7.622 1.00 44.05 H new ATOM 0 HD2 HIS A 42 9.762 -9.087 7.362 1.00 62.31 H new ATOM 0 HE1 HIS A 42 7.661 -6.840 10.302 1.00 12.10 H new ATOM 0 HE2 HIS A 42 7.795 -9.127 9.136 1.00 53.35 H new ATOM 614 N ASP A 43 11.181 -4.428 4.055 1.00 13.40 N ATOM 615 CA ASP A 43 11.578 -3.116 3.566 1.00 53.01 C ATOM 616 C ASP A 43 10.394 -2.193 3.369 1.00 52.03 C ATOM 617 O ASP A 43 9.234 -2.583 3.515 1.00 71.15 O ATOM 618 CB ASP A 43 12.415 -3.188 2.280 1.00 12.03 C ATOM 619 CG ASP A 43 13.617 -2.254 2.338 1.00 22.50 C ATOM 620 OD1 ASP A 43 13.428 -1.038 2.532 1.00 34.44 O ATOM 621 OD2 ASP A 43 14.763 -2.755 2.258 1.00 14.40 O ATOM 0 H ASP A 43 11.205 -5.156 3.341 1.00 13.40 H new ATOM 0 HA ASP A 43 12.210 -2.696 4.349 1.00 53.01 H new ATOM 0 HB2 ASP A 43 12.756 -4.211 2.125 1.00 12.03 H new ATOM 0 HB3 ASP A 43 11.792 -2.927 1.425 1.00 12.03 H new ATOM 625 N SER A 44 10.692 -0.953 3.007 1.00 11.34 N ATOM 626 CA SER A 44 9.674 0.059 2.804 1.00 73.25 C ATOM 627 C SER A 44 10.121 1.200 1.895 1.00 42.35 C ATOM 628 O SER A 44 11.311 1.416 1.660 1.00 72.41 O ATOM 629 CB SER A 44 9.199 0.561 4.163 1.00 61.51 C ATOM 630 OG SER A 44 10.294 0.892 4.995 1.00 63.43 O ATOM 0 H SER A 44 11.644 -0.624 2.847 1.00 11.34 H new ATOM 0 HA SER A 44 8.841 -0.403 2.273 1.00 73.25 H new ATOM 0 HB2 SER A 44 8.563 1.436 4.029 1.00 61.51 H new ATOM 0 HB3 SER A 44 8.591 -0.205 4.645 1.00 61.51 H new ATOM 0 HG SER A 44 9.963 1.213 5.860 1.00 63.43 H new ATOM 635 N ILE A 45 9.138 1.939 1.394 1.00 41.32 N ATOM 636 CA ILE A 45 9.279 3.113 0.550 1.00 70.51 C ATOM 637 C ILE A 45 8.160 4.067 0.965 1.00 42.31 C ATOM 638 O ILE A 45 7.129 3.605 1.456 1.00 2.03 O ATOM 639 CB ILE A 45 9.234 2.686 -0.940 1.00 62.14 C ATOM 640 CG1 ILE A 45 9.483 3.885 -1.875 1.00 72.42 C ATOM 641 CG2 ILE A 45 7.943 1.936 -1.323 1.00 21.32 C ATOM 642 CD1 ILE A 45 9.766 3.503 -3.333 1.00 41.44 C ATOM 0 H ILE A 45 8.160 1.717 1.580 1.00 41.32 H new ATOM 0 HA ILE A 45 10.234 3.624 0.671 1.00 70.51 H new ATOM 0 HB ILE A 45 10.048 1.973 -1.073 1.00 62.14 H new ATOM 0 HG12 ILE A 45 8.612 4.540 -1.846 1.00 72.42 H new ATOM 0 HG13 ILE A 45 10.327 4.460 -1.492 1.00 72.42 H new ATOM 0 HG21 ILE A 45 7.978 1.667 -2.379 1.00 21.32 H new ATOM 0 HG22 ILE A 45 7.855 1.032 -0.721 1.00 21.32 H new ATOM 0 HG23 ILE A 45 7.081 2.578 -1.141 1.00 21.32 H new ATOM 0 HD11 ILE A 45 9.929 4.406 -3.921 1.00 41.44 H new ATOM 0 HD12 ILE A 45 10.655 2.875 -3.378 1.00 41.44 H new ATOM 0 HD13 ILE A 45 8.914 2.956 -3.738 1.00 41.44 H new ATOM 653 N ASP A 46 8.361 5.371 0.783 1.00 14.52 N ATOM 654 CA ASP A 46 7.298 6.379 0.778 1.00 1.34 C ATOM 655 C ASP A 46 7.364 7.106 -0.556 1.00 50.45 C ATOM 656 O ASP A 46 8.457 7.491 -0.985 1.00 13.41 O ATOM 657 CB ASP A 46 7.432 7.393 1.917 1.00 10.24 C ATOM 658 CG ASP A 46 6.312 8.390 1.869 1.00 13.50 C ATOM 659 OD1 ASP A 46 6.500 9.380 1.130 1.00 14.31 O ATOM 660 OD2 ASP A 46 5.325 8.175 2.611 1.00 14.14 O ATOM 0 H ASP A 46 9.289 5.767 0.631 1.00 14.52 H new ATOM 0 HA ASP A 46 6.343 5.874 0.923 1.00 1.34 H new ATOM 0 HB2 ASP A 46 7.424 6.875 2.876 1.00 10.24 H new ATOM 0 HB3 ASP A 46 8.389 7.909 1.841 1.00 10.24 H new ATOM 664 N PHE A 47 6.224 7.294 -1.222 1.00 11.31 N ATOM 665 CA PHE A 47 6.160 7.956 -2.512 1.00 43.42 C ATOM 666 C PHE A 47 4.993 8.939 -2.587 1.00 14.50 C ATOM 667 O PHE A 47 4.023 8.877 -1.828 1.00 22.23 O ATOM 668 CB PHE A 47 6.183 6.938 -3.663 1.00 23.33 C ATOM 669 CG PHE A 47 5.205 5.784 -3.580 1.00 52.43 C ATOM 670 CD1 PHE A 47 3.832 6.044 -3.676 1.00 43.13 C ATOM 671 CD2 PHE A 47 5.653 4.460 -3.403 1.00 32.42 C ATOM 672 CE1 PHE A 47 2.901 5.005 -3.530 1.00 53.42 C ATOM 673 CE2 PHE A 47 4.718 3.422 -3.218 1.00 32.14 C ATOM 674 CZ PHE A 47 3.344 3.709 -3.235 1.00 54.44 C ATOM 0 H PHE A 47 5.316 6.986 -0.873 1.00 11.31 H new ATOM 0 HA PHE A 47 7.059 8.562 -2.628 1.00 43.42 H new ATOM 0 HB2 PHE A 47 5.996 7.474 -4.593 1.00 23.33 H new ATOM 0 HB3 PHE A 47 7.189 6.525 -3.730 1.00 23.33 H new ATOM 0 HD1 PHE A 47 3.488 7.050 -3.864 1.00 43.13 H new ATOM 0 HD2 PHE A 47 6.711 4.241 -3.409 1.00 32.42 H new ATOM 0 HE1 PHE A 47 1.846 5.204 -3.645 1.00 53.42 H new ATOM 0 HE2 PHE A 47 5.058 2.408 -3.064 1.00 32.14 H new ATOM 0 HZ PHE A 47 2.628 2.930 -3.020 1.00 54.44 H new ATOM 683 N SER A 48 5.126 9.852 -3.546 1.00 43.32 N ATOM 684 CA SER A 48 4.200 10.922 -3.857 1.00 21.02 C ATOM 685 C SER A 48 3.031 10.380 -4.666 1.00 33.11 C ATOM 686 O SER A 48 3.146 9.360 -5.360 1.00 63.05 O ATOM 687 CB SER A 48 5.027 11.955 -4.641 1.00 51.41 C ATOM 688 OG SER A 48 4.294 12.857 -5.440 1.00 62.34 O ATOM 0 H SER A 48 5.938 9.859 -4.163 1.00 43.32 H new ATOM 0 HA SER A 48 3.761 11.377 -2.969 1.00 21.02 H new ATOM 0 HB2 SER A 48 5.621 12.530 -3.931 1.00 51.41 H new ATOM 0 HB3 SER A 48 5.727 11.419 -5.282 1.00 51.41 H new ATOM 0 HG SER A 48 4.911 13.469 -5.892 1.00 62.34 H new ATOM 693 N SER A 49 1.913 11.100 -4.579 1.00 1.22 N ATOM 694 CA SER A 49 0.633 10.762 -5.152 1.00 62.03 C ATOM 695 C SER A 49 0.067 12.015 -5.821 1.00 21.25 C ATOM 696 O SER A 49 -0.106 13.051 -5.171 1.00 30.23 O ATOM 697 CB SER A 49 -0.301 10.251 -4.040 1.00 32.31 C ATOM 698 OG SER A 49 0.416 9.622 -2.989 1.00 41.45 O ATOM 0 H SER A 49 1.887 11.986 -4.074 1.00 1.22 H new ATOM 0 HA SER A 49 0.731 9.973 -5.898 1.00 62.03 H new ATOM 0 HB2 SER A 49 -0.876 11.085 -3.638 1.00 32.31 H new ATOM 0 HB3 SER A 49 -1.016 9.546 -4.463 1.00 32.31 H new ATOM 0 HG SER A 49 0.022 9.874 -2.128 1.00 41.45 H new ATOM 703 N ASP A 50 -0.251 11.909 -7.107 1.00 42.40 N ATOM 704 CA ASP A 50 -0.971 12.871 -7.950 1.00 0.15 C ATOM 705 C ASP A 50 -2.435 13.051 -7.494 1.00 23.43 C ATOM 706 O ASP A 50 -3.366 12.967 -8.294 1.00 42.30 O ATOM 707 CB ASP A 50 -0.902 12.343 -9.390 1.00 23.35 C ATOM 708 CG ASP A 50 -1.113 13.390 -10.477 1.00 72.21 C ATOM 709 OD1 ASP A 50 -0.328 14.365 -10.508 1.00 23.32 O ATOM 710 OD2 ASP A 50 -1.864 13.087 -11.433 1.00 1.15 O ATOM 0 H ASP A 50 0.009 11.077 -7.637 1.00 42.40 H new ATOM 0 HA ASP A 50 -0.510 13.856 -7.874 1.00 0.15 H new ATOM 0 HB2 ASP A 50 0.071 11.876 -9.542 1.00 23.35 H new ATOM 0 HB3 ASP A 50 -1.653 11.562 -9.510 1.00 23.35 H new ATOM 714 N ALA A 51 -2.676 13.171 -6.185 1.00 61.14 N ATOM 715 CA ALA A 51 -3.986 13.297 -5.578 1.00 73.41 C ATOM 716 C ALA A 51 -3.853 14.114 -4.295 1.00 55.31 C ATOM 717 O ALA A 51 -3.099 13.749 -3.385 1.00 5.25 O ATOM 718 CB ALA A 51 -4.566 11.907 -5.305 1.00 43.51 C ATOM 0 H ALA A 51 -1.923 13.182 -5.497 1.00 61.14 H new ATOM 0 HA ALA A 51 -4.672 13.812 -6.250 1.00 73.41 H new ATOM 0 HB1 ALA A 51 -5.551 12.007 -4.849 1.00 43.51 H new ATOM 0 HB2 ALA A 51 -4.655 11.359 -6.243 1.00 43.51 H new ATOM 0 HB3 ALA A 51 -3.906 11.364 -4.629 1.00 43.51 H new ATOM 724 N GLY A 52 -4.581 15.226 -4.235 1.00 23.21 N ATOM 725 CA GLY A 52 -4.654 16.101 -3.077 1.00 32.03 C ATOM 726 C GLY A 52 -5.175 15.364 -1.852 1.00 32.14 C ATOM 727 O GLY A 52 -4.631 15.516 -0.759 1.00 11.25 O ATOM 0 H GLY A 52 -5.152 15.549 -5.016 1.00 23.21 H new ATOM 0 HA2 GLY A 52 -3.665 16.508 -2.865 1.00 32.03 H new ATOM 0 HA3 GLY A 52 -5.306 16.946 -3.299 1.00 32.03 H new ATOM 731 N SER A 53 -6.207 14.545 -2.045 1.00 41.43 N ATOM 732 CA SER A 53 -6.798 13.684 -1.038 1.00 64.44 C ATOM 733 C SER A 53 -7.123 12.339 -1.677 1.00 63.01 C ATOM 734 O SER A 53 -7.268 12.251 -2.901 1.00 35.43 O ATOM 735 CB SER A 53 -8.038 14.359 -0.433 1.00 53.40 C ATOM 736 OG SER A 53 -8.907 14.912 -1.419 1.00 0.35 O ATOM 0 H SER A 53 -6.670 14.464 -2.950 1.00 41.43 H new ATOM 0 HA SER A 53 -6.100 13.513 -0.219 1.00 64.44 H new ATOM 0 HB2 SER A 53 -8.589 13.630 0.161 1.00 53.40 H new ATOM 0 HB3 SER A 53 -7.720 15.149 0.247 1.00 53.40 H new ATOM 0 HG SER A 53 -9.679 15.326 -0.980 1.00 0.35 H new ATOM 741 N VAL A 54 -7.285 11.304 -0.863 1.00 34.32 N ATOM 742 CA VAL A 54 -7.736 9.993 -1.289 1.00 71.03 C ATOM 743 C VAL A 54 -8.523 9.313 -0.168 1.00 74.45 C ATOM 744 O VAL A 54 -8.338 9.630 1.012 1.00 13.51 O ATOM 745 CB VAL A 54 -6.535 9.186 -1.826 1.00 11.12 C ATOM 746 CG1 VAL A 54 -5.261 9.255 -0.976 1.00 74.34 C ATOM 747 CG2 VAL A 54 -6.884 7.710 -2.038 1.00 55.51 C ATOM 0 H VAL A 54 -7.100 11.359 0.139 1.00 34.32 H new ATOM 0 HA VAL A 54 -8.438 10.071 -2.119 1.00 71.03 H new ATOM 0 HB VAL A 54 -6.318 9.677 -2.774 1.00 11.12 H new ATOM 0 HG11 VAL A 54 -4.480 8.654 -1.442 1.00 74.34 H new ATOM 0 HG12 VAL A 54 -4.928 10.290 -0.903 1.00 74.34 H new ATOM 0 HG13 VAL A 54 -5.468 8.870 0.022 1.00 74.34 H new ATOM 0 HG21 VAL A 54 -6.010 7.180 -2.416 1.00 55.51 H new ATOM 0 HG22 VAL A 54 -7.193 7.269 -1.090 1.00 55.51 H new ATOM 0 HG23 VAL A 54 -7.698 7.628 -2.759 1.00 55.51 H new ATOM 757 N TYR A 55 -9.395 8.384 -0.569 1.00 54.43 N ATOM 758 CA TYR A 55 -10.247 7.557 0.271 1.00 20.44 C ATOM 759 C TYR A 55 -10.247 6.076 -0.142 1.00 35.20 C ATOM 760 O TYR A 55 -11.057 5.308 0.372 1.00 14.33 O ATOM 761 CB TYR A 55 -11.672 8.133 0.273 1.00 15.54 C ATOM 762 CG TYR A 55 -12.190 8.665 -1.055 1.00 55.34 C ATOM 763 CD1 TYR A 55 -12.415 7.803 -2.148 1.00 2.33 C ATOM 764 CD2 TYR A 55 -12.439 10.043 -1.199 1.00 54.51 C ATOM 765 CE1 TYR A 55 -12.930 8.307 -3.358 1.00 35.12 C ATOM 766 CE2 TYR A 55 -12.946 10.556 -2.405 1.00 41.33 C ATOM 767 CZ TYR A 55 -13.208 9.688 -3.489 1.00 4.52 C ATOM 768 OH TYR A 55 -13.644 10.187 -4.676 1.00 11.13 O ATOM 0 H TYR A 55 -9.529 8.181 -1.559 1.00 54.43 H new ATOM 0 HA TYR A 55 -9.839 7.581 1.281 1.00 20.44 H new ATOM 0 HB2 TYR A 55 -12.354 7.356 0.619 1.00 15.54 H new ATOM 0 HB3 TYR A 55 -11.713 8.941 1.004 1.00 15.54 H new ATOM 0 HD1 TYR A 55 -12.191 6.750 -2.057 1.00 2.33 H new ATOM 0 HD2 TYR A 55 -12.239 10.712 -0.375 1.00 54.51 H new ATOM 0 HE1 TYR A 55 -13.113 7.639 -4.187 1.00 35.12 H new ATOM 0 HE2 TYR A 55 -13.136 11.615 -2.504 1.00 41.33 H new ATOM 0 HH TYR A 55 -13.788 11.153 -4.592 1.00 11.13 H new ATOM 777 N LYS A 56 -9.405 5.621 -1.070 1.00 40.11 N ATOM 778 CA LYS A 56 -9.393 4.226 -1.528 1.00 42.11 C ATOM 779 C LYS A 56 -7.984 3.822 -1.915 1.00 13.33 C ATOM 780 O LYS A 56 -7.197 4.663 -2.345 1.00 34.33 O ATOM 781 CB LYS A 56 -10.370 4.048 -2.706 1.00 14.31 C ATOM 782 CG LYS A 56 -10.095 5.004 -3.889 1.00 34.42 C ATOM 783 CD LYS A 56 -11.006 4.766 -5.102 1.00 14.21 C ATOM 784 CE LYS A 56 -10.467 3.625 -5.971 1.00 0.50 C ATOM 785 NZ LYS A 56 -10.916 2.291 -5.531 1.00 40.12 N ATOM 0 H LYS A 56 -8.709 6.209 -1.528 1.00 40.11 H new ATOM 0 HA LYS A 56 -9.722 3.576 -0.717 1.00 42.11 H new ATOM 0 HB2 LYS A 56 -10.314 3.019 -3.061 1.00 14.31 H new ATOM 0 HB3 LYS A 56 -11.388 4.208 -2.350 1.00 14.31 H new ATOM 0 HG2 LYS A 56 -10.219 6.032 -3.549 1.00 34.42 H new ATOM 0 HG3 LYS A 56 -9.056 4.894 -4.199 1.00 34.42 H new ATOM 0 HD2 LYS A 56 -12.014 4.527 -4.764 1.00 14.21 H new ATOM 0 HD3 LYS A 56 -11.076 5.678 -5.694 1.00 14.21 H new ATOM 0 HE2 LYS A 56 -10.782 3.784 -7.002 1.00 0.50 H new ATOM 0 HE3 LYS A 56 -9.377 3.655 -5.962 1.00 0.50 H new ATOM 0 HZ1 LYS A 56 -10.090 1.714 -5.273 1.00 40.12 H new ATOM 0 HZ2 LYS A 56 -11.540 2.390 -4.705 1.00 40.12 H new ATOM 0 HZ3 LYS A 56 -11.435 1.827 -6.304 1.00 40.12 H new ATOM 795 N MET A 57 -7.676 2.532 -1.819 1.00 60.02 N ATOM 796 CA MET A 57 -6.362 2.019 -2.156 1.00 43.44 C ATOM 797 C MET A 57 -6.524 0.602 -2.693 1.00 4.43 C ATOM 798 O MET A 57 -6.887 -0.314 -1.954 1.00 62.45 O ATOM 799 CB MET A 57 -5.462 2.080 -0.918 1.00 61.22 C ATOM 800 CG MET A 57 -4.050 1.601 -1.260 1.00 3.50 C ATOM 801 SD MET A 57 -2.715 2.500 -0.441 1.00 70.33 S ATOM 802 CE MET A 57 -2.855 4.074 -1.315 1.00 25.04 C ATOM 0 H MET A 57 -8.333 1.818 -1.505 1.00 60.02 H new ATOM 0 HA MET A 57 -5.885 2.621 -2.929 1.00 43.44 H new ATOM 0 HB2 MET A 57 -5.424 3.101 -0.538 1.00 61.22 H new ATOM 0 HB3 MET A 57 -5.881 1.460 -0.125 1.00 61.22 H new ATOM 0 HG2 MET A 57 -3.969 0.545 -1.000 1.00 3.50 H new ATOM 0 HG3 MET A 57 -3.909 1.676 -2.338 1.00 3.50 H new ATOM 0 HE1 MET A 57 -2.149 4.789 -0.892 1.00 25.04 H new ATOM 0 HE2 MET A 57 -2.631 3.925 -2.371 1.00 25.04 H new ATOM 0 HE3 MET A 57 -3.869 4.459 -1.210 1.00 25.04 H new ATOM 810 N ASP A 58 -6.277 0.412 -3.986 1.00 32.31 N ATOM 811 CA ASP A 58 -6.472 -0.864 -4.665 1.00 63.14 C ATOM 812 C ASP A 58 -5.086 -1.392 -4.996 1.00 13.13 C ATOM 813 O ASP A 58 -4.508 -1.083 -6.041 1.00 34.41 O ATOM 814 CB ASP A 58 -7.383 -0.776 -5.901 1.00 34.30 C ATOM 815 CG ASP A 58 -8.543 0.190 -5.732 1.00 32.11 C ATOM 816 OD1 ASP A 58 -9.552 -0.164 -5.086 1.00 34.23 O ATOM 817 OD2 ASP A 58 -8.455 1.313 -6.267 1.00 13.14 O ATOM 0 H ASP A 58 -5.931 1.150 -4.599 1.00 32.31 H new ATOM 0 HA ASP A 58 -7.006 -1.553 -4.010 1.00 63.14 H new ATOM 0 HB2 ASP A 58 -6.787 -0.469 -6.760 1.00 34.30 H new ATOM 0 HB3 ASP A 58 -7.776 -1.768 -6.124 1.00 34.30 H new ATOM 821 N VAL A 59 -4.499 -2.121 -4.054 1.00 20.03 N ATOM 822 CA VAL A 59 -3.151 -2.657 -4.189 1.00 74.44 C ATOM 823 C VAL A 59 -3.207 -3.973 -4.974 1.00 13.42 C ATOM 824 O VAL A 59 -4.195 -4.704 -4.856 1.00 54.33 O ATOM 825 CB VAL A 59 -2.516 -2.837 -2.795 1.00 53.45 C ATOM 826 CG1 VAL A 59 -1.001 -2.878 -2.977 1.00 72.34 C ATOM 827 CG2 VAL A 59 -2.873 -1.733 -1.789 1.00 43.12 C ATOM 0 H VAL A 59 -4.948 -2.358 -3.170 1.00 20.03 H new ATOM 0 HA VAL A 59 -2.521 -1.962 -4.744 1.00 74.44 H new ATOM 0 HB VAL A 59 -2.914 -3.761 -2.375 1.00 53.45 H new ATOM 0 HG11 VAL A 59 -0.521 -3.005 -2.007 1.00 72.34 H new ATOM 0 HG12 VAL A 59 -0.735 -3.713 -3.625 1.00 72.34 H new ATOM 0 HG13 VAL A 59 -0.664 -1.946 -3.429 1.00 72.34 H new ATOM 0 HG21 VAL A 59 -2.385 -1.938 -0.836 1.00 43.12 H new ATOM 0 HG22 VAL A 59 -2.535 -0.770 -2.171 1.00 43.12 H new ATOM 0 HG23 VAL A 59 -3.953 -1.707 -1.645 1.00 43.12 H new ATOM 837 N THR A 60 -2.179 -4.278 -5.772 1.00 53.34 N ATOM 838 CA THR A 60 -2.119 -5.463 -6.616 1.00 21.30 C ATOM 839 C THR A 60 -0.651 -5.703 -7.006 1.00 61.23 C ATOM 840 O THR A 60 -0.054 -4.926 -7.748 1.00 22.50 O ATOM 841 CB THR A 60 -3.111 -5.345 -7.808 1.00 60.53 C ATOM 842 OG1 THR A 60 -2.739 -6.125 -8.927 1.00 74.41 O ATOM 843 CG2 THR A 60 -3.406 -3.929 -8.295 1.00 51.51 C ATOM 0 H THR A 60 -1.349 -3.690 -5.847 1.00 53.34 H new ATOM 0 HA THR A 60 -2.453 -6.353 -6.082 1.00 21.30 H new ATOM 0 HB THR A 60 -4.027 -5.734 -7.363 1.00 60.53 H new ATOM 0 HG1 THR A 60 -3.401 -6.010 -9.641 1.00 74.41 H new ATOM 0 HG21 THR A 60 -4.109 -3.969 -9.127 1.00 51.51 H new ATOM 0 HG22 THR A 60 -3.840 -3.348 -7.482 1.00 51.51 H new ATOM 0 HG23 THR A 60 -2.480 -3.457 -8.624 1.00 51.51 H new ATOM 851 N GLY A 61 -0.051 -6.776 -6.495 1.00 21.50 N ATOM 852 CA GLY A 61 1.341 -7.139 -6.725 1.00 60.22 C ATOM 853 C GLY A 61 1.504 -8.648 -6.836 1.00 72.31 C ATOM 854 O GLY A 61 0.514 -9.378 -6.950 1.00 60.44 O ATOM 0 H GLY A 61 -0.539 -7.437 -5.890 1.00 21.50 H new ATOM 0 HA2 GLY A 61 1.697 -6.664 -7.639 1.00 60.22 H new ATOM 0 HA3 GLY A 61 1.958 -6.763 -5.909 1.00 60.22 H new ATOM 858 N THR A 62 2.760 -9.093 -6.782 1.00 41.45 N ATOM 859 CA THR A 62 3.162 -10.492 -6.906 1.00 43.02 C ATOM 860 C THR A 62 4.362 -10.767 -5.986 1.00 41.14 C ATOM 861 O THR A 62 5.262 -9.924 -5.899 1.00 22.41 O ATOM 862 CB THR A 62 3.519 -10.825 -8.367 1.00 42.32 C ATOM 863 OG1 THR A 62 2.633 -10.193 -9.273 1.00 4.04 O ATOM 864 CG2 THR A 62 3.405 -12.332 -8.602 1.00 0.31 C ATOM 0 H THR A 62 3.553 -8.466 -6.646 1.00 41.45 H new ATOM 0 HA THR A 62 2.329 -11.128 -6.607 1.00 43.02 H new ATOM 0 HB THR A 62 4.536 -10.473 -8.536 1.00 42.32 H new ATOM 0 HG1 THR A 62 2.886 -10.422 -10.192 1.00 4.04 H new ATOM 0 HG21 THR A 62 3.659 -12.559 -9.637 1.00 0.31 H new ATOM 0 HG22 THR A 62 4.091 -12.857 -7.937 1.00 0.31 H new ATOM 0 HG23 THR A 62 2.384 -12.656 -8.400 1.00 0.31 H new ATOM 872 N THR A 63 4.364 -11.892 -5.276 1.00 14.00 N ATOM 873 CA THR A 63 5.376 -12.312 -4.318 1.00 4.20 C ATOM 874 C THR A 63 6.648 -12.778 -5.025 1.00 61.32 C ATOM 875 O THR A 63 6.706 -12.906 -6.258 1.00 70.44 O ATOM 876 CB THR A 63 4.805 -13.407 -3.394 1.00 71.35 C ATOM 877 OG1 THR A 63 4.655 -14.628 -4.093 1.00 34.44 O ATOM 878 CG2 THR A 63 3.461 -13.021 -2.769 1.00 43.22 C ATOM 0 H THR A 63 3.611 -12.575 -5.361 1.00 14.00 H new ATOM 0 HA THR A 63 5.651 -11.455 -3.703 1.00 4.20 H new ATOM 0 HB THR A 63 5.528 -13.524 -2.587 1.00 71.35 H new ATOM 0 HG1 THR A 63 4.385 -15.332 -3.467 1.00 34.44 H new ATOM 0 HG21 THR A 63 3.111 -13.831 -2.130 1.00 43.22 H new ATOM 0 HG22 THR A 63 3.583 -12.116 -2.174 1.00 43.22 H new ATOM 0 HG23 THR A 63 2.731 -12.840 -3.558 1.00 43.22 H new ATOM 886 N GLN A 64 7.658 -13.102 -4.220 1.00 45.31 N ATOM 887 CA GLN A 64 8.857 -13.795 -4.650 1.00 12.10 C ATOM 888 C GLN A 64 8.487 -15.102 -5.371 1.00 53.01 C ATOM 889 O GLN A 64 9.019 -15.357 -6.447 1.00 3.11 O ATOM 890 CB GLN A 64 9.734 -14.036 -3.408 1.00 51.13 C ATOM 891 CG GLN A 64 11.151 -14.531 -3.700 1.00 11.10 C ATOM 892 CD GLN A 64 12.069 -13.413 -4.187 1.00 3.22 C ATOM 893 OE1 GLN A 64 11.744 -12.684 -5.126 1.00 72.14 O ATOM 894 NE2 GLN A 64 13.212 -13.214 -3.557 1.00 2.34 N ATOM 0 H GLN A 64 7.659 -12.881 -3.224 1.00 45.31 H new ATOM 0 HA GLN A 64 9.420 -13.198 -5.367 1.00 12.10 H new ATOM 0 HB2 GLN A 64 9.800 -13.106 -2.843 1.00 51.13 H new ATOM 0 HB3 GLN A 64 9.237 -14.764 -2.767 1.00 51.13 H new ATOM 0 HG2 GLN A 64 11.571 -14.975 -2.798 1.00 11.10 H new ATOM 0 HG3 GLN A 64 11.110 -15.318 -4.453 1.00 11.10 H new ATOM 0 HE21 GLN A 64 13.478 -13.819 -2.780 1.00 2.34 H new ATOM 0 HE22 GLN A 64 13.829 -12.455 -3.847 1.00 2.34 H new ATOM 901 N SER A 65 7.507 -15.851 -4.853 1.00 62.55 N ATOM 902 CA SER A 65 7.016 -17.103 -5.433 1.00 73.25 C ATOM 903 C SER A 65 6.205 -16.925 -6.720 1.00 11.02 C ATOM 904 O SER A 65 5.892 -17.905 -7.397 1.00 12.43 O ATOM 905 CB SER A 65 6.155 -17.815 -4.387 1.00 23.14 C ATOM 906 OG SER A 65 7.007 -18.542 -3.527 1.00 71.14 O ATOM 0 H SER A 65 7.021 -15.594 -3.994 1.00 62.55 H new ATOM 0 HA SER A 65 7.892 -17.689 -5.710 1.00 73.25 H new ATOM 0 HB2 SER A 65 5.572 -17.090 -3.819 1.00 23.14 H new ATOM 0 HB3 SER A 65 5.445 -18.485 -4.873 1.00 23.14 H new ATOM 0 HG SER A 65 6.471 -19.003 -2.849 1.00 71.14 H new ATOM 911 N GLY A 66 5.854 -15.694 -7.092 1.00 1.04 N ATOM 912 CA GLY A 66 4.997 -15.470 -8.246 1.00 31.14 C ATOM 913 C GLY A 66 3.524 -15.599 -7.870 1.00 20.44 C ATOM 914 O GLY A 66 2.668 -15.604 -8.753 1.00 14.24 O ATOM 0 H GLY A 66 6.150 -14.844 -6.612 1.00 1.04 H new ATOM 0 HA2 GLY A 66 5.185 -14.478 -8.655 1.00 31.14 H new ATOM 0 HA3 GLY A 66 5.240 -16.189 -9.028 1.00 31.14 H new ATOM 918 N GLU A 67 3.197 -15.703 -6.575 1.00 54.44 N ATOM 919 CA GLU A 67 1.815 -15.621 -6.152 1.00 61.51 C ATOM 920 C GLU A 67 1.367 -14.188 -6.266 1.00 35.33 C ATOM 921 O GLU A 67 2.064 -13.270 -5.846 1.00 13.12 O ATOM 922 CB GLU A 67 1.594 -16.098 -4.716 1.00 2.24 C ATOM 923 CG GLU A 67 1.705 -17.616 -4.549 1.00 41.05 C ATOM 924 CD GLU A 67 2.786 -18.082 -3.573 1.00 52.23 C ATOM 925 OE1 GLU A 67 3.212 -17.316 -2.681 1.00 35.43 O ATOM 926 OE2 GLU A 67 3.187 -19.261 -3.659 1.00 13.20 O ATOM 0 H GLU A 67 3.869 -15.842 -5.820 1.00 54.44 H new ATOM 0 HA GLU A 67 1.235 -16.280 -6.798 1.00 61.51 H new ATOM 0 HB2 GLU A 67 2.323 -15.615 -4.066 1.00 2.24 H new ATOM 0 HB3 GLU A 67 0.607 -15.776 -4.383 1.00 2.24 H new ATOM 0 HG2 GLU A 67 0.742 -18.001 -4.212 1.00 41.05 H new ATOM 0 HG3 GLU A 67 1.902 -18.060 -5.525 1.00 41.05 H new ATOM 931 N LYS A 68 0.194 -13.982 -6.836 1.00 20.40 N ATOM 932 CA LYS A 68 -0.427 -12.673 -6.844 1.00 21.24 C ATOM 933 C LYS A 68 -0.965 -12.408 -5.437 1.00 4.33 C ATOM 934 O LYS A 68 -1.284 -13.356 -4.715 1.00 34.54 O ATOM 935 CB LYS A 68 -1.519 -12.723 -7.912 1.00 55.22 C ATOM 936 CG LYS A 68 -2.071 -11.346 -8.236 1.00 32.21 C ATOM 937 CD LYS A 68 -3.022 -11.402 -9.427 1.00 41.04 C ATOM 938 CE LYS A 68 -3.506 -9.983 -9.733 1.00 12.42 C ATOM 939 NZ LYS A 68 -4.204 -9.908 -11.023 1.00 3.20 N ATOM 0 H LYS A 68 -0.349 -14.709 -7.301 1.00 20.40 H new ATOM 0 HA LYS A 68 0.255 -11.858 -7.086 1.00 21.24 H new ATOM 0 HB2 LYS A 68 -1.117 -13.173 -8.819 1.00 55.22 H new ATOM 0 HB3 LYS A 68 -2.330 -13.366 -7.570 1.00 55.22 H new ATOM 0 HG2 LYS A 68 -2.594 -10.947 -7.367 1.00 32.21 H new ATOM 0 HG3 LYS A 68 -1.250 -10.664 -8.454 1.00 32.21 H new ATOM 0 HD2 LYS A 68 -2.516 -11.825 -10.295 1.00 41.04 H new ATOM 0 HD3 LYS A 68 -3.869 -12.051 -9.204 1.00 41.04 H new ATOM 0 HE2 LYS A 68 -4.174 -9.648 -8.939 1.00 12.42 H new ATOM 0 HE3 LYS A 68 -2.654 -9.303 -9.741 1.00 12.42 H new ATOM 0 HZ1 LYS A 68 -4.516 -8.930 -11.193 1.00 3.20 H new ATOM 0 HZ2 LYS A 68 -3.560 -10.203 -11.784 1.00 3.20 H new ATOM 0 HZ3 LYS A 68 -5.032 -10.537 -11.007 1.00 3.20 H new ATOM 949 N PHE A 69 -1.060 -11.142 -5.049 1.00 4.21 N ATOM 950 CA PHE A 69 -1.731 -10.692 -3.831 1.00 75.23 C ATOM 951 C PHE A 69 -2.430 -9.363 -4.138 1.00 32.53 C ATOM 952 O PHE A 69 -1.991 -8.644 -5.053 1.00 44.22 O ATOM 953 CB PHE A 69 -0.702 -10.570 -2.700 1.00 22.11 C ATOM 954 CG PHE A 69 0.352 -9.506 -2.901 1.00 22.50 C ATOM 955 CD1 PHE A 69 1.551 -9.831 -3.565 1.00 44.03 C ATOM 956 CD2 PHE A 69 0.137 -8.207 -2.393 1.00 12.31 C ATOM 957 CE1 PHE A 69 2.540 -8.837 -3.719 1.00 53.44 C ATOM 958 CE2 PHE A 69 1.143 -7.232 -2.558 1.00 72.35 C ATOM 959 CZ PHE A 69 2.347 -7.533 -3.225 1.00 10.14 C ATOM 0 H PHE A 69 -0.660 -10.375 -5.589 1.00 4.21 H new ATOM 0 HA PHE A 69 -2.485 -11.406 -3.500 1.00 75.23 H new ATOM 0 HB2 PHE A 69 -1.231 -10.363 -1.770 1.00 22.11 H new ATOM 0 HB3 PHE A 69 -0.205 -11.532 -2.577 1.00 22.11 H new ATOM 0 HD1 PHE A 69 1.711 -10.827 -3.951 1.00 44.03 H new ATOM 0 HD2 PHE A 69 -0.784 -7.963 -1.885 1.00 12.31 H new ATOM 0 HE1 PHE A 69 3.462 -9.081 -4.225 1.00 53.44 H new ATOM 0 HE2 PHE A 69 0.988 -6.238 -2.166 1.00 72.35 H new ATOM 0 HZ PHE A 69 3.108 -6.777 -3.355 1.00 10.14 H new ATOM 968 N THR A 70 -3.471 -8.989 -3.389 1.00 44.05 N ATOM 969 CA THR A 70 -4.199 -7.740 -3.592 1.00 63.42 C ATOM 970 C THR A 70 -4.680 -7.147 -2.266 1.00 54.04 C ATOM 971 O THR A 70 -4.813 -7.850 -1.274 1.00 55.34 O ATOM 972 CB THR A 70 -5.383 -7.923 -4.562 1.00 23.24 C ATOM 973 OG1 THR A 70 -6.298 -8.938 -4.218 1.00 35.52 O ATOM 974 CG2 THR A 70 -4.990 -8.192 -6.013 1.00 24.30 C ATOM 0 H THR A 70 -3.833 -9.552 -2.619 1.00 44.05 H new ATOM 0 HA THR A 70 -3.499 -7.037 -4.043 1.00 63.42 H new ATOM 0 HB THR A 70 -5.856 -6.946 -4.466 1.00 23.24 H new ATOM 0 HG1 THR A 70 -7.011 -8.977 -4.889 1.00 35.52 H new ATOM 0 HG21 THR A 70 -5.889 -8.307 -6.618 1.00 24.30 H new ATOM 0 HG22 THR A 70 -4.402 -7.356 -6.392 1.00 24.30 H new ATOM 0 HG23 THR A 70 -4.398 -9.106 -6.066 1.00 24.30 H new ATOM 982 N GLY A 71 -4.955 -5.839 -2.253 1.00 23.24 N ATOM 983 CA GLY A 71 -5.340 -5.119 -1.044 1.00 71.51 C ATOM 984 C GLY A 71 -6.844 -4.884 -0.965 1.00 41.43 C ATOM 985 O GLY A 71 -7.495 -5.328 -0.029 1.00 35.31 O ATOM 0 H GLY A 71 -4.916 -5.251 -3.086 1.00 23.24 H new ATOM 0 HA2 GLY A 71 -5.016 -5.683 -0.169 1.00 71.51 H new ATOM 0 HA3 GLY A 71 -4.823 -4.160 -1.015 1.00 71.51 H new ATOM 989 N HIS A 72 -7.366 -4.189 -1.979 1.00 34.02 N ATOM 990 CA HIS A 72 -8.761 -3.774 -2.145 1.00 53.34 C ATOM 991 C HIS A 72 -9.359 -3.094 -0.906 1.00 13.10 C ATOM 992 O HIS A 72 -10.139 -3.706 -0.177 1.00 11.30 O ATOM 993 CB HIS A 72 -9.617 -4.966 -2.608 1.00 43.23 C ATOM 994 CG HIS A 72 -9.203 -5.505 -3.945 1.00 51.11 C ATOM 995 ND1 HIS A 72 -9.382 -4.860 -5.145 1.00 11.44 N ATOM 996 CD2 HIS A 72 -8.597 -6.706 -4.188 1.00 54.43 C ATOM 997 CE1 HIS A 72 -8.884 -5.657 -6.100 1.00 72.21 C ATOM 998 NE2 HIS A 72 -8.383 -6.780 -5.572 1.00 24.53 N ATOM 0 H HIS A 72 -6.785 -3.880 -2.759 1.00 34.02 H new ATOM 0 HA HIS A 72 -8.769 -3.006 -2.919 1.00 53.34 H new ATOM 0 HB2 HIS A 72 -9.552 -5.762 -1.866 1.00 43.23 H new ATOM 0 HB3 HIS A 72 -10.662 -4.659 -2.655 1.00 43.23 H new ATOM 0 HD2 HIS A 72 -8.334 -7.454 -3.455 1.00 54.43 H new ATOM 0 HE1 HIS A 72 -8.887 -5.424 -7.155 1.00 72.21 H new ATOM 0 HE2 HIS A 72 -7.933 -7.542 -6.078 1.00 24.53 H new ATOM 1005 N PHE A 73 -9.102 -1.795 -0.718 1.00 41.24 N ATOM 1006 CA PHE A 73 -9.597 -1.046 0.433 1.00 20.31 C ATOM 1007 C PHE A 73 -10.356 0.195 -0.003 1.00 72.04 C ATOM 1008 O PHE A 73 -9.970 0.870 -0.966 1.00 32.20 O ATOM 1009 CB PHE A 73 -8.431 -0.620 1.318 1.00 44.44 C ATOM 1010 CG PHE A 73 -7.587 -1.775 1.807 1.00 61.24 C ATOM 1011 CD1 PHE A 73 -8.024 -2.555 2.894 1.00 64.23 C ATOM 1012 CD2 PHE A 73 -6.369 -2.068 1.172 1.00 60.32 C ATOM 1013 CE1 PHE A 73 -7.208 -3.590 3.385 1.00 4.21 C ATOM 1014 CE2 PHE A 73 -5.561 -3.109 1.657 1.00 42.05 C ATOM 1015 CZ PHE A 73 -5.980 -3.863 2.765 1.00 15.01 C ATOM 0 H PHE A 73 -8.544 -1.236 -1.363 1.00 41.24 H new ATOM 0 HA PHE A 73 -10.272 -1.698 0.987 1.00 20.31 H new ATOM 0 HB2 PHE A 73 -7.798 0.072 0.762 1.00 44.44 H new ATOM 0 HB3 PHE A 73 -8.819 -0.075 2.178 1.00 44.44 H new ATOM 0 HD1 PHE A 73 -8.983 -2.359 3.350 1.00 64.23 H new ATOM 0 HD2 PHE A 73 -6.055 -1.494 0.313 1.00 60.32 H new ATOM 0 HE1 PHE A 73 -7.526 -4.173 4.237 1.00 4.21 H new ATOM 0 HE2 PHE A 73 -4.618 -3.329 1.178 1.00 42.05 H new ATOM 0 HZ PHE A 73 -5.353 -4.658 3.142 1.00 15.01 H new ATOM 1024 N LYS A 74 -11.381 0.553 0.771 1.00 31.32 N ATOM 1025 CA LYS A 74 -12.282 1.656 0.476 1.00 23.12 C ATOM 1026 C LYS A 74 -12.606 2.476 1.719 1.00 60.35 C ATOM 1027 O LYS A 74 -12.413 2.017 2.849 1.00 43.54 O ATOM 1028 CB LYS A 74 -13.572 1.092 -0.139 1.00 74.34 C ATOM 1029 CG LYS A 74 -13.947 1.880 -1.389 1.00 43.23 C ATOM 1030 CD LYS A 74 -15.340 1.487 -1.878 1.00 61.42 C ATOM 1031 CE LYS A 74 -15.762 2.401 -3.023 1.00 52.51 C ATOM 1032 NZ LYS A 74 -17.192 2.264 -3.351 1.00 64.14 N ATOM 0 H LYS A 74 -11.609 0.070 1.640 1.00 31.32 H new ATOM 0 HA LYS A 74 -11.789 2.326 -0.229 1.00 23.12 H new ATOM 0 HB2 LYS A 74 -13.434 0.040 -0.391 1.00 74.34 H new ATOM 0 HB3 LYS A 74 -14.382 1.142 0.588 1.00 74.34 H new ATOM 0 HG2 LYS A 74 -13.920 2.948 -1.173 1.00 43.23 H new ATOM 0 HG3 LYS A 74 -13.215 1.695 -2.175 1.00 43.23 H new ATOM 0 HD2 LYS A 74 -15.339 0.449 -2.210 1.00 61.42 H new ATOM 0 HD3 LYS A 74 -16.057 1.559 -1.060 1.00 61.42 H new ATOM 0 HE2 LYS A 74 -15.551 3.436 -2.755 1.00 52.51 H new ATOM 0 HE3 LYS A 74 -15.166 2.172 -3.906 1.00 52.51 H new ATOM 0 HZ1 LYS A 74 -17.431 2.905 -4.135 1.00 64.14 H new ATOM 0 HZ2 LYS A 74 -17.391 1.283 -3.633 1.00 64.14 H new ATOM 0 HZ3 LYS A 74 -17.764 2.508 -2.518 1.00 64.14 H new ATOM 1042 N GLY A 75 -13.097 3.684 1.475 1.00 22.13 N ATOM 1043 CA GLY A 75 -13.471 4.703 2.451 1.00 44.32 C ATOM 1044 C GLY A 75 -12.469 4.887 3.577 1.00 24.24 C ATOM 1045 O GLY A 75 -12.829 4.903 4.756 1.00 63.32 O ATOM 0 H GLY A 75 -13.257 4.002 0.519 1.00 22.13 H new ATOM 0 HA2 GLY A 75 -13.599 5.654 1.935 1.00 44.32 H new ATOM 0 HA3 GLY A 75 -14.438 4.441 2.880 1.00 44.32 H new ATOM 1049 N LEU A 76 -11.205 4.991 3.196 1.00 14.40 N ATOM 1050 CA LEU A 76 -10.070 5.232 4.060 1.00 1.54 C ATOM 1051 C LEU A 76 -10.231 6.596 4.719 1.00 4.32 C ATOM 1052 O LEU A 76 -10.777 7.523 4.114 1.00 42.42 O ATOM 1053 CB LEU A 76 -8.811 5.263 3.193 1.00 43.55 C ATOM 1054 CG LEU A 76 -8.265 3.932 2.655 1.00 51.45 C ATOM 1055 CD1 LEU A 76 -7.347 3.253 3.675 1.00 11.44 C ATOM 1056 CD2 LEU A 76 -9.280 2.893 2.184 1.00 1.54 C ATOM 0 H LEU A 76 -10.933 4.904 2.217 1.00 14.40 H new ATOM 0 HA LEU A 76 -10.001 4.454 4.820 1.00 1.54 H new ATOM 0 HB2 LEU A 76 -9.011 5.910 2.339 1.00 43.55 H new ATOM 0 HB3 LEU A 76 -8.019 5.737 3.773 1.00 43.55 H new ATOM 0 HG LEU A 76 -7.734 4.257 1.761 1.00 51.45 H new ATOM 0 HD11 LEU A 76 -6.978 2.314 3.263 1.00 11.44 H new ATOM 0 HD12 LEU A 76 -6.505 3.908 3.899 1.00 11.44 H new ATOM 0 HD13 LEU A 76 -7.904 3.054 4.590 1.00 11.44 H new ATOM 0 HD21 LEU A 76 -8.755 2.005 1.831 1.00 1.54 H new ATOM 0 HD22 LEU A 76 -9.934 2.622 3.013 1.00 1.54 H new ATOM 0 HD23 LEU A 76 -9.876 3.309 1.372 1.00 1.54 H new ATOM 1067 N VAL A 77 -9.668 6.732 5.917 1.00 30.14 N ATOM 1068 CA VAL A 77 -9.696 7.964 6.689 1.00 5.30 C ATOM 1069 C VAL A 77 -8.256 8.409 6.936 1.00 42.31 C ATOM 1070 O VAL A 77 -7.346 7.591 7.115 1.00 2.34 O ATOM 1071 CB VAL A 77 -10.460 7.743 8.008 1.00 14.34 C ATOM 1072 CG1 VAL A 77 -10.638 9.027 8.828 1.00 53.41 C ATOM 1073 CG2 VAL A 77 -11.816 7.044 7.803 1.00 31.00 C ATOM 0 H VAL A 77 -9.171 5.973 6.384 1.00 30.14 H new ATOM 0 HA VAL A 77 -10.219 8.749 6.142 1.00 5.30 H new ATOM 0 HB VAL A 77 -9.823 7.074 8.586 1.00 14.34 H new ATOM 0 HG11 VAL A 77 -11.184 8.801 9.744 1.00 53.41 H new ATOM 0 HG12 VAL A 77 -9.660 9.436 9.080 1.00 53.41 H new ATOM 0 HG13 VAL A 77 -11.197 9.757 8.243 1.00 53.41 H new ATOM 0 HG21 VAL A 77 -12.308 6.915 8.767 1.00 31.00 H new ATOM 0 HG22 VAL A 77 -12.444 7.653 7.153 1.00 31.00 H new ATOM 0 HG23 VAL A 77 -11.657 6.068 7.344 1.00 31.00 H new ATOM 1083 N GLY A 78 -8.096 9.725 7.019 1.00 30.03 N ATOM 1084 CA GLY A 78 -6.873 10.447 7.333 1.00 23.23 C ATOM 1085 C GLY A 78 -6.141 10.947 6.085 1.00 74.24 C ATOM 1086 O GLY A 78 -6.367 10.464 4.970 1.00 54.11 O ATOM 0 H GLY A 78 -8.877 10.360 6.856 1.00 30.03 H new ATOM 0 HA2 GLY A 78 -7.112 11.296 7.973 1.00 23.23 H new ATOM 0 HA3 GLY A 78 -6.209 9.797 7.902 1.00 23.23 H new ATOM 1090 N LYS A 79 -5.242 11.919 6.276 1.00 72.14 N ATOM 1091 CA LYS A 79 -4.488 12.640 5.253 1.00 25.31 C ATOM 1092 C LYS A 79 -3.296 11.848 4.695 1.00 50.40 C ATOM 1093 O LYS A 79 -2.350 12.423 4.147 1.00 23.13 O ATOM 1094 CB LYS A 79 -4.026 13.948 5.908 1.00 50.30 C ATOM 1095 CG LYS A 79 -3.876 15.086 4.906 1.00 12.42 C ATOM 1096 CD LYS A 79 -3.428 16.355 5.639 1.00 41.10 C ATOM 1097 CE LYS A 79 -2.934 17.347 4.594 1.00 70.42 C ATOM 1098 NZ LYS A 79 -2.481 18.616 5.208 1.00 61.44 N ATOM 0 H LYS A 79 -5.009 12.242 7.215 1.00 72.14 H new ATOM 0 HA LYS A 79 -5.125 12.817 4.386 1.00 25.31 H new ATOM 0 HB2 LYS A 79 -4.743 14.238 6.676 1.00 50.30 H new ATOM 0 HB3 LYS A 79 -3.072 13.782 6.409 1.00 50.30 H new ATOM 0 HG2 LYS A 79 -3.147 14.818 4.141 1.00 12.42 H new ATOM 0 HG3 LYS A 79 -4.823 15.263 4.396 1.00 12.42 H new ATOM 0 HD2 LYS A 79 -4.255 16.780 6.208 1.00 41.10 H new ATOM 0 HD3 LYS A 79 -2.636 16.125 6.352 1.00 41.10 H new ATOM 0 HE2 LYS A 79 -2.113 16.903 4.031 1.00 70.42 H new ATOM 0 HE3 LYS A 79 -3.734 17.553 3.882 1.00 70.42 H new ATOM 0 HZ1 LYS A 79 -2.153 19.264 4.464 1.00 61.44 H new ATOM 0 HZ2 LYS A 79 -3.271 19.053 5.724 1.00 61.44 H new ATOM 0 HZ3 LYS A 79 -1.701 18.423 5.868 1.00 61.44 H new ATOM 1108 N ASP A 80 -3.268 10.531 4.861 1.00 32.13 N ATOM 1109 CA ASP A 80 -2.303 9.652 4.208 1.00 65.35 C ATOM 1110 C ASP A 80 -2.850 8.235 4.178 1.00 13.30 C ATOM 1111 O ASP A 80 -3.857 7.940 4.832 1.00 42.43 O ATOM 1112 CB ASP A 80 -0.931 9.632 4.902 1.00 33.00 C ATOM 1113 CG ASP A 80 -0.909 8.788 6.181 1.00 21.44 C ATOM 1114 OD1 ASP A 80 -1.312 9.298 7.252 1.00 71.34 O ATOM 1115 OD2 ASP A 80 -0.493 7.608 6.111 1.00 11.34 O ATOM 0 H ASP A 80 -3.925 10.035 5.463 1.00 32.13 H new ATOM 0 HA ASP A 80 -2.155 10.045 3.202 1.00 65.35 H new ATOM 0 HB2 ASP A 80 -0.186 9.245 4.207 1.00 33.00 H new ATOM 0 HB3 ASP A 80 -0.640 10.654 5.145 1.00 33.00 H new ATOM 1119 N THR A 81 -2.141 7.359 3.469 1.00 71.43 N ATOM 1120 CA THR A 81 -2.412 5.938 3.442 1.00 31.30 C ATOM 1121 C THR A 81 -1.086 5.198 3.622 1.00 65.42 C ATOM 1122 O THR A 81 -0.067 5.587 3.045 1.00 51.43 O ATOM 1123 CB THR A 81 -3.102 5.565 2.114 1.00 23.02 C ATOM 1124 OG1 THR A 81 -3.982 6.564 1.628 1.00 2.30 O ATOM 1125 CG2 THR A 81 -3.950 4.323 2.335 1.00 11.34 C ATOM 0 H THR A 81 -1.348 7.631 2.888 1.00 71.43 H new ATOM 0 HA THR A 81 -3.088 5.653 4.248 1.00 31.30 H new ATOM 0 HB THR A 81 -2.302 5.423 1.388 1.00 23.02 H new ATOM 0 HG1 THR A 81 -4.383 6.265 0.785 1.00 2.30 H new ATOM 0 HG21 THR A 81 -4.444 4.049 1.403 1.00 11.34 H new ATOM 0 HG22 THR A 81 -3.313 3.502 2.664 1.00 11.34 H new ATOM 0 HG23 THR A 81 -4.702 4.527 3.097 1.00 11.34 H new ATOM 1133 N ARG A 82 -1.078 4.115 4.393 1.00 3.50 N ATOM 1134 CA ARG A 82 0.025 3.159 4.449 1.00 64.44 C ATOM 1135 C ARG A 82 -0.530 1.776 4.163 1.00 61.45 C ATOM 1136 O ARG A 82 -1.744 1.584 4.233 1.00 71.15 O ATOM 1137 CB ARG A 82 0.732 3.200 5.813 1.00 34.34 C ATOM 1138 CG ARG A 82 1.293 4.583 6.158 1.00 52.25 C ATOM 1139 CD ARG A 82 2.137 4.563 7.434 1.00 30.41 C ATOM 1140 NE ARG A 82 2.818 5.849 7.663 1.00 50.45 N ATOM 1141 CZ ARG A 82 2.375 6.885 8.387 1.00 73.15 C ATOM 1142 NH1 ARG A 82 1.157 6.910 8.912 1.00 65.32 N ATOM 1143 NH2 ARG A 82 3.180 7.909 8.618 1.00 1.34 N ATOM 0 H ARG A 82 -1.854 3.872 5.009 1.00 3.50 H new ATOM 0 HA ARG A 82 0.773 3.420 3.701 1.00 64.44 H new ATOM 0 HB2 ARG A 82 0.030 2.896 6.589 1.00 34.34 H new ATOM 0 HB3 ARG A 82 1.545 2.474 5.816 1.00 34.34 H new ATOM 0 HG2 ARG A 82 1.901 4.944 5.328 1.00 52.25 H new ATOM 0 HG3 ARG A 82 0.470 5.287 6.280 1.00 52.25 H new ATOM 0 HD2 ARG A 82 1.499 4.333 8.287 1.00 30.41 H new ATOM 0 HD3 ARG A 82 2.878 3.767 7.366 1.00 30.41 H new ATOM 0 HE ARG A 82 3.730 5.963 7.220 1.00 50.45 H new ATOM 0 HH11 ARG A 82 0.524 6.123 8.770 1.00 65.32 H new ATOM 0 HH12 ARG A 82 0.853 7.716 9.458 1.00 65.32 H new ATOM 0 HH21 ARG A 82 4.130 7.905 8.246 1.00 1.34 H new ATOM 0 HH22 ARG A 82 2.851 8.702 9.168 1.00 1.34 H new ATOM 1154 N VAL A 83 0.355 0.837 3.853 1.00 42.32 N ATOM 1155 CA VAL A 83 0.028 -0.495 3.374 1.00 73.13 C ATOM 1156 C VAL A 83 0.908 -1.464 4.153 1.00 32.50 C ATOM 1157 O VAL A 83 2.131 -1.422 3.982 1.00 62.42 O ATOM 1158 CB VAL A 83 0.273 -0.558 1.853 1.00 50.13 C ATOM 1159 CG1 VAL A 83 -0.142 -1.927 1.292 1.00 33.34 C ATOM 1160 CG2 VAL A 83 -0.480 0.543 1.088 1.00 33.14 C ATOM 0 H VAL A 83 1.360 0.991 3.933 1.00 42.32 H new ATOM 0 HA VAL A 83 -1.018 -0.756 3.532 1.00 73.13 H new ATOM 0 HB VAL A 83 1.342 -0.402 1.709 1.00 50.13 H new ATOM 0 HG11 VAL A 83 0.039 -1.950 0.217 1.00 33.34 H new ATOM 0 HG12 VAL A 83 0.442 -2.710 1.775 1.00 33.34 H new ATOM 0 HG13 VAL A 83 -1.202 -2.093 1.485 1.00 33.34 H new ATOM 0 HG21 VAL A 83 -0.272 0.452 0.022 1.00 33.14 H new ATOM 0 HG22 VAL A 83 -1.551 0.437 1.259 1.00 33.14 H new ATOM 0 HG23 VAL A 83 -0.151 1.521 1.440 1.00 33.14 H new ATOM 1170 N PHE A 84 0.311 -2.284 5.026 1.00 13.14 N ATOM 1171 CA PHE A 84 1.043 -3.309 5.763 1.00 44.22 C ATOM 1172 C PHE A 84 0.799 -4.632 5.041 1.00 23.51 C ATOM 1173 O PHE A 84 -0.331 -5.113 4.967 1.00 10.40 O ATOM 1174 CB PHE A 84 0.596 -3.350 7.234 1.00 43.44 C ATOM 1175 CG PHE A 84 0.814 -2.098 8.082 1.00 2.03 C ATOM 1176 CD1 PHE A 84 1.733 -1.102 7.700 1.00 52.14 C ATOM 1177 CD2 PHE A 84 0.119 -1.938 9.295 1.00 33.32 C ATOM 1178 CE1 PHE A 84 1.927 0.050 8.483 1.00 23.31 C ATOM 1179 CE2 PHE A 84 0.332 -0.805 10.100 1.00 24.44 C ATOM 1180 CZ PHE A 84 1.228 0.196 9.693 1.00 25.32 C ATOM 0 H PHE A 84 -0.686 -2.253 5.237 1.00 13.14 H new ATOM 0 HA PHE A 84 2.111 -3.095 5.787 1.00 44.22 H new ATOM 0 HB2 PHE A 84 -0.468 -3.586 7.254 1.00 43.44 H new ATOM 0 HB3 PHE A 84 1.115 -4.177 7.719 1.00 43.44 H new ATOM 0 HD1 PHE A 84 2.299 -1.225 6.789 1.00 52.14 H new ATOM 0 HD2 PHE A 84 -0.585 -2.693 9.611 1.00 33.32 H new ATOM 0 HE1 PHE A 84 2.611 0.819 8.156 1.00 23.31 H new ATOM 0 HE2 PHE A 84 -0.197 -0.704 11.036 1.00 24.44 H new ATOM 0 HZ PHE A 84 1.379 1.072 10.306 1.00 25.32 H new ATOM 1189 N ILE A 85 1.833 -5.185 4.412 1.00 11.43 N ATOM 1190 CA ILE A 85 1.746 -6.521 3.834 1.00 64.34 C ATOM 1191 C ILE A 85 2.028 -7.494 4.973 1.00 65.52 C ATOM 1192 O ILE A 85 3.052 -7.348 5.634 1.00 10.13 O ATOM 1193 CB ILE A 85 2.754 -6.723 2.686 1.00 53.24 C ATOM 1194 CG1 ILE A 85 2.737 -5.572 1.659 1.00 24.50 C ATOM 1195 CG2 ILE A 85 2.428 -8.037 1.960 1.00 30.42 C ATOM 1196 CD1 ILE A 85 3.736 -5.774 0.507 1.00 54.15 C ATOM 0 H ILE A 85 2.738 -4.730 4.290 1.00 11.43 H new ATOM 0 HA ILE A 85 0.761 -6.682 3.397 1.00 64.34 H new ATOM 0 HB ILE A 85 3.748 -6.748 3.132 1.00 53.24 H new ATOM 0 HG12 ILE A 85 1.732 -5.476 1.247 1.00 24.50 H new ATOM 0 HG13 ILE A 85 2.964 -4.636 2.168 1.00 24.50 H new ATOM 0 HG21 ILE A 85 3.137 -8.188 1.146 1.00 30.42 H new ATOM 0 HG22 ILE A 85 2.499 -8.868 2.662 1.00 30.42 H new ATOM 0 HG23 ILE A 85 1.417 -7.989 1.557 1.00 30.42 H new ATOM 0 HD11 ILE A 85 3.674 -4.930 -0.180 1.00 54.15 H new ATOM 0 HD12 ILE A 85 4.747 -5.841 0.909 1.00 54.15 H new ATOM 0 HD13 ILE A 85 3.496 -6.694 -0.026 1.00 54.15 H new ATOM 1207 N GLU A 86 1.172 -8.492 5.164 1.00 22.12 N ATOM 1208 CA GLU A 86 1.360 -9.574 6.124 1.00 43.22 C ATOM 1209 C GLU A 86 0.795 -10.873 5.530 1.00 52.34 C ATOM 1210 O GLU A 86 0.105 -10.855 4.508 1.00 52.43 O ATOM 1211 CB GLU A 86 0.753 -9.202 7.493 1.00 71.53 C ATOM 1212 CG GLU A 86 -0.690 -8.680 7.461 1.00 73.33 C ATOM 1213 CD GLU A 86 -1.270 -8.496 8.871 1.00 34.41 C ATOM 1214 OE1 GLU A 86 -0.566 -7.953 9.756 1.00 5.03 O ATOM 1215 OE2 GLU A 86 -2.448 -8.863 9.086 1.00 1.32 O ATOM 0 H GLU A 86 0.301 -8.573 4.639 1.00 22.12 H new ATOM 0 HA GLU A 86 2.421 -9.738 6.312 1.00 43.22 H new ATOM 0 HB2 GLU A 86 0.788 -10.081 8.136 1.00 71.53 H new ATOM 0 HB3 GLU A 86 1.384 -8.443 7.956 1.00 71.53 H new ATOM 0 HG2 GLU A 86 -0.719 -7.728 6.931 1.00 73.33 H new ATOM 0 HG3 GLU A 86 -1.314 -9.376 6.901 1.00 73.33 H new ATOM 1220 N LEU A 87 1.111 -12.012 6.146 1.00 54.23 N ATOM 1221 CA LEU A 87 0.409 -13.270 5.887 1.00 31.30 C ATOM 1222 C LEU A 87 -0.730 -13.355 6.893 1.00 31.11 C ATOM 1223 O LEU A 87 -0.625 -12.758 7.966 1.00 21.43 O ATOM 1224 CB LEU A 87 1.316 -14.499 6.089 1.00 22.43 C ATOM 1225 CG LEU A 87 2.728 -14.405 5.488 1.00 24.51 C ATOM 1226 CD1 LEU A 87 3.541 -15.652 5.844 1.00 43.01 C ATOM 1227 CD2 LEU A 87 2.679 -14.259 3.967 1.00 43.44 C ATOM 0 H LEU A 87 1.858 -12.089 6.836 1.00 54.23 H new ATOM 0 HA LEU A 87 0.067 -13.276 4.852 1.00 31.30 H new ATOM 0 HB2 LEU A 87 1.410 -14.683 7.159 1.00 22.43 H new ATOM 0 HB3 LEU A 87 0.817 -15.368 5.659 1.00 22.43 H new ATOM 0 HG LEU A 87 3.204 -13.520 5.909 1.00 24.51 H new ATOM 0 HD11 LEU A 87 4.538 -15.572 5.412 1.00 43.01 H new ATOM 0 HD12 LEU A 87 3.621 -15.737 6.928 1.00 43.01 H new ATOM 0 HD13 LEU A 87 3.043 -16.537 5.446 1.00 43.01 H new ATOM 0 HD21 LEU A 87 3.694 -14.195 3.575 1.00 43.44 H new ATOM 0 HD22 LEU A 87 2.176 -15.124 3.534 1.00 43.44 H new ATOM 0 HD23 LEU A 87 2.132 -13.353 3.706 1.00 43.44 H new ATOM 1238 N ASP A 88 -1.751 -14.164 6.633 1.00 70.14 N ATOM 1239 CA ASP A 88 -2.666 -14.601 7.683 1.00 74.42 C ATOM 1240 C ASP A 88 -3.373 -15.890 7.251 1.00 41.43 C ATOM 1241 O ASP A 88 -3.069 -16.447 6.188 1.00 34.30 O ATOM 1242 CB ASP A 88 -3.667 -13.484 8.072 1.00 22.51 C ATOM 1243 CG ASP A 88 -4.101 -13.579 9.544 1.00 43.14 C ATOM 1244 OD1 ASP A 88 -3.807 -14.595 10.218 1.00 4.13 O ATOM 1245 OD2 ASP A 88 -4.720 -12.641 10.082 1.00 14.01 O ATOM 0 H ASP A 88 -1.966 -14.531 5.706 1.00 70.14 H new ATOM 0 HA ASP A 88 -2.090 -14.816 8.583 1.00 74.42 H new ATOM 0 HB2 ASP A 88 -3.211 -12.511 7.892 1.00 22.51 H new ATOM 0 HB3 ASP A 88 -4.546 -13.547 7.431 1.00 22.51 H new ATOM 1249 N GLU A 89 -4.312 -16.366 8.071 1.00 2.43 N ATOM 1250 CA GLU A 89 -5.298 -17.421 7.847 1.00 14.03 C ATOM 1251 C GLU A 89 -4.645 -18.797 7.871 1.00 51.25 C ATOM 1252 O GLU A 89 -4.943 -19.631 8.723 1.00 53.24 O ATOM 1253 CB GLU A 89 -6.115 -17.185 6.558 1.00 3.22 C ATOM 1254 CG GLU A 89 -6.722 -15.777 6.433 1.00 4.22 C ATOM 1255 CD GLU A 89 -7.543 -15.393 7.669 1.00 72.51 C ATOM 1256 OE1 GLU A 89 -8.643 -15.957 7.844 1.00 62.15 O ATOM 1257 OE2 GLU A 89 -7.083 -14.572 8.498 1.00 24.12 O ATOM 0 H GLU A 89 -4.409 -15.978 9.009 1.00 2.43 H new ATOM 0 HA GLU A 89 -6.010 -17.386 8.672 1.00 14.03 H new ATOM 0 HB2 GLU A 89 -5.471 -17.367 5.697 1.00 3.22 H new ATOM 0 HB3 GLU A 89 -6.920 -17.919 6.514 1.00 3.22 H new ATOM 0 HG2 GLU A 89 -5.923 -15.050 6.288 1.00 4.22 H new ATOM 0 HG3 GLU A 89 -7.357 -15.733 5.548 1.00 4.22 H new ATOM 1262 N ASN A 90 -3.749 -19.047 6.928 1.00 73.25 N ATOM 1263 CA ASN A 90 -2.986 -20.275 6.804 1.00 70.53 C ATOM 1264 C ASN A 90 -1.682 -19.975 6.071 1.00 42.42 C ATOM 1265 O ASN A 90 -1.287 -20.714 5.175 1.00 62.55 O ATOM 1266 CB ASN A 90 -3.835 -21.385 6.157 1.00 61.41 C ATOM 1267 CG ASN A 90 -4.126 -21.242 4.672 1.00 34.53 C ATOM 1268 OD1 ASN A 90 -4.016 -22.210 3.930 1.00 71.15 O ATOM 1269 ND2 ASN A 90 -4.601 -20.087 4.231 1.00 22.41 N ATOM 0 H ASN A 90 -3.526 -18.370 6.199 1.00 73.25 H new ATOM 0 HA ASN A 90 -2.718 -20.663 7.787 1.00 70.53 H new ATOM 0 HB2 ASN A 90 -3.328 -22.337 6.315 1.00 61.41 H new ATOM 0 HB3 ASN A 90 -4.786 -21.439 6.687 1.00 61.41 H new ATOM 0 HD21 ASN A 90 -4.884 -19.991 3.256 1.00 22.41 H new ATOM 0 HD22 ASN A 90 -4.684 -19.294 4.867 1.00 22.41 H new ATOM 1275 N ALA A 91 -1.033 -18.867 6.447 1.00 13.43 N ATOM 1276 CA ALA A 91 0.235 -18.377 5.910 1.00 25.40 C ATOM 1277 C ALA A 91 0.148 -17.933 4.439 1.00 2.22 C ATOM 1278 O ALA A 91 1.158 -17.933 3.731 1.00 2.22 O ATOM 1279 CB ALA A 91 1.343 -19.409 6.156 1.00 50.02 C ATOM 0 H ALA A 91 -1.402 -18.256 7.176 1.00 13.43 H new ATOM 0 HA ALA A 91 0.490 -17.466 6.452 1.00 25.40 H new ATOM 0 HB1 ALA A 91 2.284 -19.035 5.753 1.00 50.02 H new ATOM 0 HB2 ALA A 91 1.450 -19.580 7.227 1.00 50.02 H new ATOM 0 HB3 ALA A 91 1.083 -20.346 5.663 1.00 50.02 H new ATOM 1285 N ASP A 92 -1.048 -17.565 3.973 1.00 12.01 N ATOM 1286 CA ASP A 92 -1.270 -17.047 2.624 1.00 72.25 C ATOM 1287 C ASP A 92 -1.236 -15.525 2.721 1.00 5.33 C ATOM 1288 O ASP A 92 -1.641 -14.963 3.745 1.00 42.02 O ATOM 1289 CB ASP A 92 -2.653 -17.429 2.082 1.00 2.22 C ATOM 1290 CG ASP A 92 -2.892 -18.914 1.772 1.00 43.03 C ATOM 1291 OD1 ASP A 92 -1.946 -19.730 1.707 1.00 53.01 O ATOM 1292 OD2 ASP A 92 -4.084 -19.276 1.617 1.00 3.02 O ATOM 0 H ASP A 92 -1.900 -17.620 4.531 1.00 12.01 H new ATOM 0 HA ASP A 92 -0.509 -17.460 1.962 1.00 72.25 H new ATOM 0 HB2 ASP A 92 -3.402 -17.109 2.807 1.00 2.22 H new ATOM 0 HB3 ASP A 92 -2.829 -16.859 1.169 1.00 2.22 H new ATOM 1296 N VAL A 93 -0.832 -14.839 1.652 1.00 23.53 N ATOM 1297 CA VAL A 93 -0.625 -13.395 1.706 1.00 2.20 C ATOM 1298 C VAL A 93 -1.958 -12.646 1.770 1.00 41.44 C ATOM 1299 O VAL A 93 -2.739 -12.693 0.815 1.00 61.45 O ATOM 1300 CB VAL A 93 0.266 -12.914 0.542 1.00 2.04 C ATOM 1301 CG1 VAL A 93 0.760 -11.485 0.793 1.00 45.42 C ATOM 1302 CG2 VAL A 93 1.484 -13.842 0.364 1.00 54.15 C ATOM 0 H VAL A 93 -0.643 -15.259 0.742 1.00 23.53 H new ATOM 0 HA VAL A 93 -0.090 -13.164 2.627 1.00 2.20 H new ATOM 0 HB VAL A 93 -0.338 -12.935 -0.365 1.00 2.04 H new ATOM 0 HG11 VAL A 93 1.387 -11.165 -0.040 1.00 45.42 H new ATOM 0 HG12 VAL A 93 -0.095 -10.815 0.882 1.00 45.42 H new ATOM 0 HG13 VAL A 93 1.340 -11.457 1.715 1.00 45.42 H new ATOM 0 HG21 VAL A 93 2.097 -13.483 -0.462 1.00 54.15 H new ATOM 0 HG22 VAL A 93 2.075 -13.846 1.280 1.00 54.15 H new ATOM 0 HG23 VAL A 93 1.142 -14.854 0.149 1.00 54.15 H new ATOM 1312 N GLN A 94 -2.203 -11.941 2.875 1.00 31.12 N ATOM 1313 CA GLN A 94 -3.268 -10.950 2.996 1.00 23.30 C ATOM 1314 C GLN A 94 -2.652 -9.543 2.896 1.00 30.33 C ATOM 1315 O GLN A 94 -1.475 -9.375 2.567 1.00 1.40 O ATOM 1316 CB GLN A 94 -4.075 -11.156 4.297 1.00 55.35 C ATOM 1317 CG GLN A 94 -4.540 -12.596 4.574 1.00 63.23 C ATOM 1318 CD GLN A 94 -5.100 -13.326 3.351 1.00 14.02 C ATOM 1319 OE1 GLN A 94 -6.127 -12.966 2.774 1.00 61.24 O ATOM 1320 NE2 GLN A 94 -4.455 -14.405 2.935 1.00 55.42 N ATOM 0 H GLN A 94 -1.654 -12.047 3.728 1.00 31.12 H new ATOM 0 HA GLN A 94 -3.981 -11.070 2.181 1.00 23.30 H new ATOM 0 HB2 GLN A 94 -3.466 -10.823 5.137 1.00 55.35 H new ATOM 0 HB3 GLN A 94 -4.953 -10.511 4.264 1.00 55.35 H new ATOM 0 HG2 GLN A 94 -3.699 -13.167 4.969 1.00 63.23 H new ATOM 0 HG3 GLN A 94 -5.304 -12.575 5.351 1.00 63.23 H new ATOM 0 HE21 GLN A 94 -3.604 -14.706 3.411 1.00 55.42 H new ATOM 0 HE22 GLN A 94 -4.809 -14.935 2.139 1.00 55.42 H new ATOM 1327 N VAL A 95 -3.448 -8.508 3.162 1.00 33.23 N ATOM 1328 CA VAL A 95 -2.977 -7.139 3.278 1.00 10.01 C ATOM 1329 C VAL A 95 -3.771 -6.530 4.421 1.00 52.04 C ATOM 1330 O VAL A 95 -4.977 -6.757 4.542 1.00 45.04 O ATOM 1331 CB VAL A 95 -3.143 -6.348 1.958 1.00 73.35 C ATOM 1332 CG1 VAL A 95 -2.506 -4.947 2.058 1.00 50.34 C ATOM 1333 CG2 VAL A 95 -2.497 -7.053 0.759 1.00 60.32 C ATOM 0 H VAL A 95 -4.453 -8.605 3.304 1.00 33.23 H new ATOM 0 HA VAL A 95 -1.906 -7.105 3.480 1.00 10.01 H new ATOM 0 HB VAL A 95 -4.220 -6.277 1.803 1.00 73.35 H new ATOM 0 HG11 VAL A 95 -2.640 -4.418 1.114 1.00 50.34 H new ATOM 0 HG12 VAL A 95 -2.985 -4.386 2.860 1.00 50.34 H new ATOM 0 HG13 VAL A 95 -1.441 -5.046 2.270 1.00 50.34 H new ATOM 0 HG21 VAL A 95 -2.645 -6.453 -0.139 1.00 60.32 H new ATOM 0 HG22 VAL A 95 -1.429 -7.176 0.941 1.00 60.32 H new ATOM 0 HG23 VAL A 95 -2.957 -8.031 0.621 1.00 60.32 H new ATOM 1343 N PHE A 96 -3.103 -5.700 5.207 1.00 23.40 N ATOM 1344 CA PHE A 96 -3.642 -4.975 6.334 1.00 64.41 C ATOM 1345 C PHE A 96 -3.315 -3.504 6.121 1.00 62.15 C ATOM 1346 O PHE A 96 -2.477 -3.121 5.294 1.00 10.43 O ATOM 1347 CB PHE A 96 -2.957 -5.526 7.597 1.00 32.50 C ATOM 1348 CG PHE A 96 -3.633 -5.197 8.920 1.00 2.11 C ATOM 1349 CD1 PHE A 96 -3.387 -3.982 9.586 1.00 74.55 C ATOM 1350 CD2 PHE A 96 -4.539 -6.112 9.482 1.00 62.42 C ATOM 1351 CE1 PHE A 96 -4.093 -3.653 10.759 1.00 3.20 C ATOM 1352 CE2 PHE A 96 -5.223 -5.801 10.671 1.00 11.11 C ATOM 1353 CZ PHE A 96 -5.020 -4.560 11.298 1.00 52.11 C ATOM 0 H PHE A 96 -2.112 -5.507 5.062 1.00 23.40 H new ATOM 0 HA PHE A 96 -4.721 -5.086 6.438 1.00 64.41 H new ATOM 0 HB2 PHE A 96 -2.889 -6.610 7.506 1.00 32.50 H new ATOM 0 HB3 PHE A 96 -1.936 -5.145 7.628 1.00 32.50 H new ATOM 0 HD1 PHE A 96 -2.651 -3.296 9.194 1.00 74.55 H new ATOM 0 HD2 PHE A 96 -4.712 -7.062 8.997 1.00 62.42 H new ATOM 0 HE1 PHE A 96 -3.922 -2.703 11.244 1.00 3.20 H new ATOM 0 HE2 PHE A 96 -5.906 -6.518 11.103 1.00 11.11 H new ATOM 0 HZ PHE A 96 -5.574 -4.305 12.189 1.00 52.11 H new ATOM 1362 N ILE A 97 -3.969 -2.644 6.886 1.00 11.14 N ATOM 1363 CA ILE A 97 -3.686 -1.227 6.880 1.00 42.02 C ATOM 1364 C ILE A 97 -3.929 -0.638 8.259 1.00 5.20 C ATOM 1365 O ILE A 97 -4.907 -1.002 8.916 1.00 21.20 O ATOM 1366 CB ILE A 97 -4.566 -0.501 5.844 1.00 62.55 C ATOM 1367 CG1 ILE A 97 -6.003 -1.058 5.773 1.00 22.44 C ATOM 1368 CG2 ILE A 97 -3.931 -0.555 4.452 1.00 30.12 C ATOM 1369 CD1 ILE A 97 -6.861 -0.197 4.857 1.00 25.33 C ATOM 0 H ILE A 97 -4.713 -2.915 7.529 1.00 11.14 H new ATOM 0 HA ILE A 97 -2.639 -1.089 6.609 1.00 42.02 H new ATOM 0 HB ILE A 97 -4.631 0.533 6.181 1.00 62.55 H new ATOM 0 HG12 ILE A 97 -5.984 -2.084 5.406 1.00 22.44 H new ATOM 0 HG13 ILE A 97 -6.439 -1.085 6.772 1.00 22.44 H new ATOM 0 HG21 ILE A 97 -4.572 -0.036 3.739 1.00 30.12 H new ATOM 0 HG22 ILE A 97 -2.953 -0.074 4.479 1.00 30.12 H new ATOM 0 HG23 ILE A 97 -3.815 -1.594 4.145 1.00 30.12 H new ATOM 0 HD11 ILE A 97 -7.872 -0.603 4.817 1.00 25.33 H new ATOM 0 HD12 ILE A 97 -6.894 0.822 5.242 1.00 25.33 H new ATOM 0 HD13 ILE A 97 -6.432 -0.193 3.855 1.00 25.33 H new ATOM 1380 N PRO A 98 -3.104 0.347 8.650 1.00 30.42 N ATOM 1381 CA PRO A 98 -3.410 1.162 9.799 1.00 31.14 C ATOM 1382 C PRO A 98 -4.590 2.060 9.415 1.00 70.43 C ATOM 1383 O PRO A 98 -4.557 2.763 8.391 1.00 61.32 O ATOM 1384 CB PRO A 98 -2.117 1.923 10.096 1.00 21.11 C ATOM 1385 CG PRO A 98 -1.480 2.106 8.724 1.00 63.54 C ATOM 1386 CD PRO A 98 -1.915 0.850 7.966 1.00 42.01 C ATOM 0 HA PRO A 98 -3.711 0.618 10.694 1.00 31.14 H new ATOM 0 HB2 PRO A 98 -2.318 2.881 10.575 1.00 21.11 H new ATOM 0 HB3 PRO A 98 -1.467 1.361 10.767 1.00 21.11 H new ATOM 0 HG2 PRO A 98 -1.832 3.014 8.234 1.00 63.54 H new ATOM 0 HG3 PRO A 98 -0.395 2.180 8.791 1.00 63.54 H new ATOM 0 HD2 PRO A 98 -2.135 1.082 6.924 1.00 42.01 H new ATOM 0 HD3 PRO A 98 -1.122 0.102 7.965 1.00 42.01 H new ATOM 1391 N GLN A 99 -5.652 1.992 10.208 1.00 11.20 N ATOM 1392 CA GLN A 99 -6.838 2.836 10.178 1.00 71.35 C ATOM 1393 C GLN A 99 -7.174 3.179 11.638 1.00 54.33 C ATOM 1394 O GLN A 99 -6.341 2.958 12.517 1.00 64.44 O ATOM 1395 CB GLN A 99 -7.972 2.103 9.424 1.00 1.23 C ATOM 1396 CG GLN A 99 -7.826 2.168 7.894 1.00 65.22 C ATOM 1397 CD GLN A 99 -7.833 3.603 7.363 1.00 10.12 C ATOM 1398 OE1 GLN A 99 -8.865 4.267 7.324 1.00 5.23 O ATOM 1399 NE2 GLN A 99 -6.689 4.138 6.972 1.00 33.41 N ATOM 0 H GLN A 99 -5.710 1.290 10.946 1.00 11.20 H new ATOM 0 HA GLN A 99 -6.684 3.769 9.636 1.00 71.35 H new ATOM 0 HB2 GLN A 99 -7.991 1.059 9.736 1.00 1.23 H new ATOM 0 HB3 GLN A 99 -8.930 2.538 9.710 1.00 1.23 H new ATOM 0 HG2 GLN A 99 -6.896 1.680 7.600 1.00 65.22 H new ATOM 0 HG3 GLN A 99 -8.639 1.609 7.431 1.00 65.22 H new ATOM 0 HE21 GLN A 99 -5.831 3.587 7.004 1.00 33.41 H new ATOM 0 HE22 GLN A 99 -6.664 5.102 6.638 1.00 33.41 H new