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 9 THR OG1 : rot -75:sc= 2.13 USER MOD Set 1.2: A 49 SER OG : rot 173:sc= 1.24 USER MOD Set 2.1: A 37 ASN : amide:sc= -0.036 X(o=-0.065,f=-0.14) USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.321 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.52 K(o=1.5,f=-0.64) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 141:sc= 1.79 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.8!) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0378) USER MOD Single : A 23 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 0.791 (180deg=0.589) USER MOD Single : A 27 THR OG1 : rot 71:sc= 0.982 USER MOD Single : A 29 ASN : amide:sc= 1.25 K(o=1.3,f=-0.04) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0.413 (180deg=0.374) USER MOD Single : A 34 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.27) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0427 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0181 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+ -123:sc= 1.2 (180deg=0.142) USER MOD Single : A 57 MET CE :methyl 167:sc= -0.241 (180deg=-0.457) 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 170:sc= -0.0753 USER MOD Single : A 64 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.012) 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 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-2.4!) 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= -0.082 X(o=-0.082,f=-0.082) USER MOD Single : A 94 GLN : amide:sc= 0.501 K(o=0.5,f=-0.33) USER MOD Single : A 99 GLN : amide:sc= 0.873 K(o=0.87,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -0.548 17.262 -2.059 1.00 2.43 N ATOM 83 CA THR A 8 -0.243 15.887 -2.388 1.00 62.24 C ATOM 84 C THR A 8 -0.347 15.071 -1.101 1.00 42.22 C ATOM 85 O THR A 8 0.047 15.524 -0.024 1.00 75.41 O ATOM 86 CB THR A 8 1.128 15.793 -3.086 1.00 12.21 C ATOM 87 OG1 THR A 8 2.076 16.727 -2.607 1.00 13.14 O ATOM 88 CG2 THR A 8 1.022 16.050 -4.588 1.00 61.51 C ATOM 0 HA THR A 8 -0.952 15.474 -3.105 1.00 62.24 H new ATOM 0 HB THR A 8 1.458 14.777 -2.867 1.00 12.21 H new ATOM 0 HG1 THR A 8 1.614 17.537 -2.306 1.00 13.14 H new ATOM 0 HG21 THR A 8 2.011 15.974 -5.041 1.00 61.51 H new ATOM 0 HG22 THR A 8 0.359 15.311 -5.038 1.00 61.51 H new ATOM 0 HG23 THR A 8 0.620 17.049 -4.759 1.00 61.51 H new ATOM 96 N THR A 9 -0.920 13.878 -1.202 1.00 60.35 N ATOM 97 CA THR A 9 -0.858 12.863 -0.162 1.00 51.44 C ATOM 98 C THR A 9 0.516 12.199 -0.193 1.00 75.55 C ATOM 99 O THR A 9 1.319 12.441 -1.105 1.00 24.51 O ATOM 100 CB THR A 9 -1.990 11.833 -0.350 1.00 12.00 C ATOM 101 OG1 THR A 9 -2.352 11.594 -1.698 1.00 41.22 O ATOM 102 CG2 THR A 9 -3.231 12.330 0.354 1.00 53.01 C ATOM 0 H THR A 9 -1.449 13.585 -2.023 1.00 60.35 H new ATOM 0 HA THR A 9 -0.999 13.325 0.815 1.00 51.44 H new ATOM 0 HB THR A 9 -1.604 10.900 0.060 1.00 12.00 H new ATOM 0 HG1 THR A 9 -2.870 12.354 -2.037 1.00 41.22 H new ATOM 0 HG21 THR A 9 -4.036 11.607 0.226 1.00 53.01 H new ATOM 0 HG22 THR A 9 -3.021 12.455 1.416 1.00 53.01 H new ATOM 0 HG23 THR A 9 -3.532 13.287 -0.071 1.00 53.01 H new ATOM 110 N THR A 10 0.774 11.332 0.783 1.00 75.33 N ATOM 111 CA THR A 10 1.977 10.527 0.792 1.00 20.24 C ATOM 112 C THR A 10 1.607 9.100 1.186 1.00 42.24 C ATOM 113 O THR A 10 0.687 8.896 1.981 1.00 20.22 O ATOM 114 CB THR A 10 3.017 11.150 1.742 1.00 55.35 C ATOM 115 OG1 THR A 10 3.014 12.563 1.668 1.00 40.04 O ATOM 116 CG2 THR A 10 4.439 10.689 1.417 1.00 60.24 C ATOM 0 H THR A 10 0.157 11.174 1.580 1.00 75.33 H new ATOM 0 HA THR A 10 2.431 10.498 -0.198 1.00 20.24 H new ATOM 0 HB THR A 10 2.731 10.818 2.740 1.00 55.35 H new ATOM 0 HG1 THR A 10 3.685 12.924 2.285 1.00 40.04 H new ATOM 0 HG21 THR A 10 5.140 11.153 2.111 1.00 60.24 H new ATOM 0 HG22 THR A 10 4.500 9.605 1.510 1.00 60.24 H new ATOM 0 HG23 THR A 10 4.692 10.981 0.398 1.00 60.24 H new ATOM 124 N ILE A 11 2.297 8.111 0.614 1.00 23.15 N ATOM 125 CA ILE A 11 1.992 6.685 0.760 1.00 35.53 C ATOM 126 C ILE A 11 3.247 6.017 1.359 1.00 22.31 C ATOM 127 O ILE A 11 4.296 6.659 1.458 1.00 41.13 O ATOM 128 CB ILE A 11 1.515 6.137 -0.614 1.00 35.12 C ATOM 129 CG1 ILE A 11 0.249 6.891 -1.112 1.00 15.03 C ATOM 130 CG2 ILE A 11 1.181 4.635 -0.547 1.00 52.23 C ATOM 131 CD1 ILE A 11 0.005 6.758 -2.619 1.00 40.00 C ATOM 0 H ILE A 11 3.107 8.285 0.019 1.00 23.15 H new ATOM 0 HA ILE A 11 1.171 6.470 1.444 1.00 35.53 H new ATOM 0 HB ILE A 11 2.341 6.294 -1.307 1.00 35.12 H new ATOM 0 HG12 ILE A 11 -0.622 6.513 -0.577 1.00 15.03 H new ATOM 0 HG13 ILE A 11 0.344 7.947 -0.860 1.00 15.03 H new ATOM 0 HG21 ILE A 11 0.852 4.291 -1.528 1.00 52.23 H new ATOM 0 HG22 ILE A 11 2.068 4.078 -0.247 1.00 52.23 H new ATOM 0 HG23 ILE A 11 0.386 4.471 0.181 1.00 52.23 H new ATOM 0 HD11 ILE A 11 -0.895 7.310 -2.892 1.00 40.00 H new ATOM 0 HD12 ILE A 11 0.858 7.163 -3.163 1.00 40.00 H new ATOM 0 HD13 ILE A 11 -0.123 5.706 -2.876 1.00 40.00 H new ATOM 142 N ARG A 12 3.169 4.780 1.866 1.00 51.22 N ATOM 143 CA ARG A 12 4.303 4.096 2.495 1.00 13.23 C ATOM 144 C ARG A 12 4.096 2.586 2.430 1.00 31.13 C ATOM 145 O ARG A 12 3.117 2.088 2.984 1.00 31.45 O ATOM 146 CB ARG A 12 4.492 4.596 3.946 1.00 53.34 C ATOM 147 CG ARG A 12 5.976 4.660 4.347 1.00 62.33 C ATOM 148 CD ARG A 12 6.359 3.611 5.394 1.00 54.42 C ATOM 149 NE ARG A 12 6.299 4.076 6.783 1.00 74.13 N ATOM 150 CZ ARG A 12 7.310 4.707 7.385 1.00 13.14 C ATOM 151 NH1 ARG A 12 8.299 5.250 6.687 1.00 42.31 N ATOM 152 NH2 ARG A 12 7.312 4.815 8.702 1.00 43.30 N ATOM 0 H ARG A 12 2.314 4.224 1.851 1.00 51.22 H new ATOM 0 HA ARG A 12 5.219 4.329 1.952 1.00 13.23 H new ATOM 0 HB2 ARG A 12 4.046 5.585 4.049 1.00 53.34 H new ATOM 0 HB3 ARG A 12 3.960 3.934 4.629 1.00 53.34 H new ATOM 0 HG2 ARG A 12 6.593 4.521 3.459 1.00 62.33 H new ATOM 0 HG3 ARG A 12 6.199 5.653 4.737 1.00 62.33 H new ATOM 0 HD2 ARG A 12 5.698 2.751 5.285 1.00 54.42 H new ATOM 0 HD3 ARG A 12 7.371 3.263 5.186 1.00 54.42 H new ATOM 0 HE ARG A 12 5.445 3.910 7.315 1.00 74.13 H new ATOM 0 HH11 ARG A 12 8.297 5.190 5.669 1.00 42.31 H new ATOM 0 HH12 ARG A 12 9.061 5.727 7.169 1.00 42.31 H new ATOM 0 HH21 ARG A 12 6.547 4.419 9.247 1.00 43.30 H new ATOM 0 HH22 ARG A 12 8.079 5.295 9.173 1.00 43.30 H new ATOM 163 N LEU A 13 4.949 1.866 1.710 1.00 11.33 N ATOM 164 CA LEU A 13 4.789 0.434 1.400 1.00 55.32 C ATOM 165 C LEU A 13 5.727 -0.418 2.254 1.00 4.11 C ATOM 166 O LEU A 13 6.927 -0.407 1.976 1.00 35.45 O ATOM 167 CB LEU A 13 5.087 0.193 -0.099 1.00 51.22 C ATOM 168 CG LEU A 13 3.878 0.332 -1.035 1.00 74.21 C ATOM 169 CD1 LEU A 13 2.924 -0.849 -0.854 1.00 62.53 C ATOM 170 CD2 LEU A 13 3.142 1.653 -0.797 1.00 53.20 C ATOM 0 H LEU A 13 5.798 2.266 1.310 1.00 11.33 H new ATOM 0 HA LEU A 13 3.762 0.144 1.624 1.00 55.32 H new ATOM 0 HB2 LEU A 13 5.856 0.896 -0.418 1.00 51.22 H new ATOM 0 HB3 LEU A 13 5.503 -0.808 -0.214 1.00 51.22 H new ATOM 0 HG LEU A 13 4.246 0.332 -2.061 1.00 74.21 H new ATOM 0 HD11 LEU A 13 2.072 -0.735 -1.525 1.00 62.53 H new ATOM 0 HD12 LEU A 13 3.446 -1.777 -1.085 1.00 62.53 H new ATOM 0 HD13 LEU A 13 2.572 -0.878 0.177 1.00 62.53 H new ATOM 0 HD21 LEU A 13 2.291 1.723 -1.474 1.00 53.20 H new ATOM 0 HD22 LEU A 13 2.790 1.693 0.234 1.00 53.20 H new ATOM 0 HD23 LEU A 13 3.821 2.486 -0.981 1.00 53.20 H new ATOM 181 N ILE A 14 5.256 -1.090 3.312 1.00 12.14 N ATOM 182 CA ILE A 14 6.107 -1.919 4.175 1.00 11.42 C ATOM 183 C ILE A 14 5.870 -3.405 3.867 1.00 2.22 C ATOM 184 O ILE A 14 4.721 -3.852 3.802 1.00 44.22 O ATOM 185 CB ILE A 14 5.858 -1.635 5.676 1.00 74.51 C ATOM 186 CG1 ILE A 14 5.830 -0.143 6.078 1.00 11.44 C ATOM 187 CG2 ILE A 14 6.999 -2.264 6.490 1.00 51.31 C ATOM 188 CD1 ILE A 14 4.467 0.544 5.960 1.00 60.23 C ATOM 0 H ILE A 14 4.276 -1.074 3.594 1.00 12.14 H new ATOM 0 HA ILE A 14 7.146 -1.664 3.964 1.00 11.42 H new ATOM 0 HB ILE A 14 4.870 -2.050 5.877 1.00 74.51 H new ATOM 0 HG12 ILE A 14 6.174 -0.056 7.109 1.00 11.44 H new ATOM 0 HG13 ILE A 14 6.545 0.397 5.457 1.00 11.44 H new ATOM 0 HG21 ILE A 14 6.838 -2.072 7.551 1.00 51.31 H new ATOM 0 HG22 ILE A 14 7.021 -3.340 6.315 1.00 51.31 H new ATOM 0 HG23 ILE A 14 7.949 -1.827 6.183 1.00 51.31 H new ATOM 0 HD11 ILE A 14 4.557 1.586 6.266 1.00 60.23 H new ATOM 0 HD12 ILE A 14 4.124 0.497 4.926 1.00 60.23 H new ATOM 0 HD13 ILE A 14 3.748 0.038 6.604 1.00 60.23 H new ATOM 199 N ASN A 15 6.959 -4.171 3.724 1.00 32.31 N ATOM 200 CA ASN A 15 6.958 -5.578 3.321 1.00 62.52 C ATOM 201 C ASN A 15 7.185 -6.524 4.510 1.00 44.20 C ATOM 202 O ASN A 15 8.230 -7.169 4.593 1.00 74.41 O ATOM 203 CB ASN A 15 8.059 -5.794 2.270 1.00 40.34 C ATOM 204 CG ASN A 15 7.889 -7.143 1.578 1.00 60.54 C ATOM 205 OD1 ASN A 15 6.780 -7.551 1.244 1.00 51.43 O ATOM 206 ND2 ASN A 15 8.980 -7.838 1.325 1.00 41.41 N ATOM 0 H ASN A 15 7.899 -3.812 3.893 1.00 32.31 H new ATOM 0 HA ASN A 15 5.977 -5.811 2.906 1.00 62.52 H new ATOM 0 HB2 ASN A 15 8.024 -4.994 1.531 1.00 40.34 H new ATOM 0 HB3 ASN A 15 9.038 -5.745 2.747 1.00 40.34 H new ATOM 0 HD21 ASN A 15 8.913 -8.734 0.843 1.00 41.41 H new ATOM 0 HD22 ASN A 15 9.891 -7.480 1.612 1.00 41.41 H new ATOM 212 N GLN A 16 6.268 -6.605 5.475 1.00 11.23 N ATOM 213 CA GLN A 16 6.529 -7.306 6.742 1.00 41.02 C ATOM 214 C GLN A 16 6.413 -8.845 6.640 1.00 31.24 C ATOM 215 O GLN A 16 6.486 -9.531 7.661 1.00 74.20 O ATOM 216 CB GLN A 16 5.686 -6.694 7.885 1.00 23.21 C ATOM 217 CG GLN A 16 5.862 -5.162 7.982 1.00 63.11 C ATOM 218 CD GLN A 16 5.732 -4.602 9.399 1.00 42.01 C ATOM 219 OE1 GLN A 16 4.807 -4.905 10.145 1.00 42.31 O ATOM 220 NE2 GLN A 16 6.637 -3.724 9.814 1.00 22.44 N ATOM 0 H GLN A 16 5.336 -6.195 5.407 1.00 11.23 H new ATOM 0 HA GLN A 16 7.578 -7.144 6.989 1.00 41.02 H new ATOM 0 HB2 GLN A 16 4.634 -6.928 7.724 1.00 23.21 H new ATOM 0 HB3 GLN A 16 5.973 -7.152 8.832 1.00 23.21 H new ATOM 0 HG2 GLN A 16 6.842 -4.895 7.587 1.00 63.11 H new ATOM 0 HG3 GLN A 16 5.120 -4.682 7.345 1.00 63.11 H new ATOM 0 HE21 GLN A 16 7.412 -3.463 9.204 1.00 22.44 H new ATOM 0 HE22 GLN A 16 6.558 -3.310 10.743 1.00 22.44 H new ATOM 227 N THR A 17 6.242 -9.401 5.441 1.00 60.32 N ATOM 228 CA THR A 17 6.087 -10.830 5.189 1.00 32.24 C ATOM 229 C THR A 17 7.435 -11.572 5.158 1.00 3.05 C ATOM 230 O THR A 17 8.515 -11.018 5.402 1.00 51.12 O ATOM 231 CB THR A 17 5.344 -10.997 3.853 1.00 71.31 C ATOM 232 OG1 THR A 17 6.011 -10.237 2.865 1.00 21.24 O ATOM 233 CG2 THR A 17 3.893 -10.536 3.954 1.00 15.32 C ATOM 0 H THR A 17 6.207 -8.845 4.587 1.00 60.32 H new ATOM 0 HA THR A 17 5.518 -11.273 6.006 1.00 32.24 H new ATOM 0 HB THR A 17 5.340 -12.055 3.590 1.00 71.31 H new ATOM 0 HG1 THR A 17 6.023 -10.735 2.021 1.00 21.24 H new ATOM 0 HG21 THR A 17 3.401 -10.669 2.991 1.00 15.32 H new ATOM 0 HG22 THR A 17 3.376 -11.126 4.711 1.00 15.32 H new ATOM 0 HG23 THR A 17 3.864 -9.483 4.233 1.00 15.32 H new ATOM 241 N TYR A 18 7.376 -12.864 4.820 1.00 22.44 N ATOM 242 CA TYR A 18 8.526 -13.749 4.680 1.00 24.14 C ATOM 243 C TYR A 18 9.095 -13.867 3.255 1.00 43.04 C ATOM 244 O TYR A 18 9.861 -14.800 2.983 1.00 35.12 O ATOM 245 CB TYR A 18 8.217 -15.104 5.327 1.00 71.32 C ATOM 246 CG TYR A 18 7.297 -16.098 4.633 1.00 73.13 C ATOM 247 CD1 TYR A 18 6.583 -15.823 3.443 1.00 40.42 C ATOM 248 CD2 TYR A 18 7.184 -17.367 5.224 1.00 75.30 C ATOM 249 CE1 TYR A 18 5.761 -16.811 2.865 1.00 24.14 C ATOM 250 CE2 TYR A 18 6.370 -18.354 4.653 1.00 74.53 C ATOM 251 CZ TYR A 18 5.641 -18.081 3.476 1.00 41.51 C ATOM 252 OH TYR A 18 4.863 -19.063 2.941 1.00 55.51 O ATOM 0 H TYR A 18 6.491 -13.335 4.630 1.00 22.44 H new ATOM 0 HA TYR A 18 9.348 -13.281 5.221 1.00 24.14 H new ATOM 0 HB2 TYR A 18 9.170 -15.607 5.491 1.00 71.32 H new ATOM 0 HB3 TYR A 18 7.790 -14.902 6.309 1.00 71.32 H new ATOM 0 HD1 TYR A 18 6.668 -14.853 2.976 1.00 40.42 H new ATOM 0 HD2 TYR A 18 7.731 -17.585 6.129 1.00 75.30 H new ATOM 0 HE1 TYR A 18 5.222 -16.598 1.954 1.00 24.14 H new ATOM 0 HE2 TYR A 18 6.300 -19.328 5.115 1.00 74.53 H new ATOM 0 HH TYR A 18 4.911 -19.863 3.506 1.00 55.51 H new ATOM 261 N PHE A 19 8.724 -12.970 2.334 1.00 61.21 N ATOM 262 CA PHE A 19 9.156 -13.021 0.936 1.00 32.11 C ATOM 263 C PHE A 19 9.731 -11.675 0.485 1.00 40.02 C ATOM 264 O PHE A 19 9.609 -10.661 1.170 1.00 34.12 O ATOM 265 CB PHE A 19 8.016 -13.519 0.027 1.00 60.31 C ATOM 266 CG PHE A 19 6.696 -12.769 0.166 1.00 15.11 C ATOM 267 CD1 PHE A 19 6.612 -11.386 -0.096 1.00 73.32 C ATOM 268 CD2 PHE A 19 5.530 -13.446 0.576 1.00 53.12 C ATOM 269 CE1 PHE A 19 5.392 -10.699 0.032 1.00 74.13 C ATOM 270 CE2 PHE A 19 4.322 -12.754 0.727 1.00 20.03 C ATOM 271 CZ PHE A 19 4.237 -11.388 0.435 1.00 0.25 C ATOM 0 H PHE A 19 8.110 -12.182 2.542 1.00 61.21 H new ATOM 0 HA PHE A 19 9.966 -13.746 0.850 1.00 32.11 H new ATOM 0 HB2 PHE A 19 8.345 -13.452 -1.010 1.00 60.31 H new ATOM 0 HB3 PHE A 19 7.840 -14.574 0.238 1.00 60.31 H new ATOM 0 HD1 PHE A 19 7.497 -10.847 -0.399 1.00 73.32 H new ATOM 0 HD2 PHE A 19 5.568 -14.507 0.775 1.00 53.12 H new ATOM 0 HE1 PHE A 19 5.343 -9.641 -0.180 1.00 74.13 H new ATOM 0 HE2 PHE A 19 3.445 -13.281 1.073 1.00 20.03 H new ATOM 0 HZ PHE A 19 3.293 -10.870 0.519 1.00 0.25 H new ATOM 280 N ASN A 20 10.326 -11.646 -0.709 1.00 24.45 N ATOM 281 CA ASN A 20 10.692 -10.413 -1.414 1.00 40.03 C ATOM 282 C ASN A 20 9.594 -10.141 -2.449 1.00 43.21 C ATOM 283 O ASN A 20 8.962 -11.078 -2.955 1.00 4.13 O ATOM 284 CB ASN A 20 12.074 -10.603 -2.081 1.00 40.42 C ATOM 285 CG ASN A 20 12.598 -9.370 -2.824 1.00 75.22 C ATOM 286 OD1 ASN A 20 13.463 -8.644 -2.345 1.00 15.43 O ATOM 287 ND2 ASN A 20 12.178 -9.153 -4.054 1.00 14.14 N ATOM 0 H ASN A 20 10.572 -12.492 -1.223 1.00 24.45 H new ATOM 0 HA ASN A 20 10.770 -9.562 -0.737 1.00 40.03 H new ATOM 0 HB2 ASN A 20 12.797 -10.884 -1.315 1.00 40.42 H new ATOM 0 HB3 ASN A 20 12.013 -11.435 -2.782 1.00 40.42 H new ATOM 0 HD21 ASN A 20 12.572 -8.386 -4.600 1.00 14.14 H new ATOM 0 HD22 ASN A 20 11.459 -9.752 -4.460 1.00 14.14 H new ATOM 293 N VAL A 21 9.388 -8.878 -2.810 1.00 62.42 N ATOM 294 CA VAL A 21 8.454 -8.456 -3.857 1.00 60.33 C ATOM 295 C VAL A 21 9.159 -7.442 -4.755 1.00 60.20 C ATOM 296 O VAL A 21 10.125 -6.806 -4.345 1.00 74.10 O ATOM 297 CB VAL A 21 7.156 -7.872 -3.263 1.00 22.01 C ATOM 298 CG1 VAL A 21 6.199 -8.952 -2.780 1.00 2.41 C ATOM 299 CG2 VAL A 21 7.416 -6.916 -2.094 1.00 41.14 C ATOM 0 H VAL A 21 9.877 -8.097 -2.373 1.00 62.42 H new ATOM 0 HA VAL A 21 8.158 -9.324 -4.446 1.00 60.33 H new ATOM 0 HB VAL A 21 6.703 -7.321 -4.087 1.00 22.01 H new ATOM 0 HG11 VAL A 21 5.302 -8.487 -2.371 1.00 2.41 H new ATOM 0 HG12 VAL A 21 5.925 -9.596 -3.616 1.00 2.41 H new ATOM 0 HG13 VAL A 21 6.683 -9.548 -2.006 1.00 2.41 H new ATOM 0 HG21 VAL A 21 6.467 -6.536 -1.716 1.00 41.14 H new ATOM 0 HG22 VAL A 21 7.936 -7.448 -1.298 1.00 41.14 H new ATOM 0 HG23 VAL A 21 8.030 -6.083 -2.435 1.00 41.14 H new ATOM 309 N LYS A 22 8.706 -7.310 -6.001 1.00 1.51 N ATOM 310 CA LYS A 22 9.514 -6.723 -7.073 1.00 11.21 C ATOM 311 C LYS A 22 8.679 -6.024 -8.146 1.00 14.11 C ATOM 312 O LYS A 22 9.131 -5.867 -9.280 1.00 41.53 O ATOM 313 CB LYS A 22 10.396 -7.830 -7.663 1.00 52.40 C ATOM 314 CG LYS A 22 9.557 -8.905 -8.372 1.00 55.21 C ATOM 315 CD LYS A 22 9.408 -10.195 -7.561 1.00 33.13 C ATOM 316 CE LYS A 22 8.342 -11.067 -8.218 1.00 21.12 C ATOM 317 NZ LYS A 22 8.780 -11.572 -9.534 1.00 3.12 N ATOM 0 H LYS A 22 7.775 -7.604 -6.296 1.00 1.51 H new ATOM 0 HA LYS A 22 10.135 -5.933 -6.651 1.00 11.21 H new ATOM 0 HB2 LYS A 22 11.103 -7.395 -8.369 1.00 52.40 H new ATOM 0 HB3 LYS A 22 10.982 -8.291 -6.868 1.00 52.40 H new ATOM 0 HG2 LYS A 22 8.567 -8.501 -8.583 1.00 55.21 H new ATOM 0 HG3 LYS A 22 10.017 -9.139 -9.332 1.00 55.21 H new ATOM 0 HD2 LYS A 22 10.358 -10.727 -7.520 1.00 33.13 H new ATOM 0 HD3 LYS A 22 9.127 -9.965 -6.533 1.00 33.13 H new ATOM 0 HE2 LYS A 22 8.108 -11.908 -7.566 1.00 21.12 H new ATOM 0 HE3 LYS A 22 7.424 -10.491 -8.337 1.00 21.12 H new ATOM 0 HZ1 LYS A 22 8.065 -12.227 -9.910 1.00 3.12 H new ATOM 0 HZ2 LYS A 22 8.897 -10.774 -10.190 1.00 3.12 H new ATOM 0 HZ3 LYS A 22 9.686 -12.071 -9.430 1.00 3.12 H new ATOM 327 N ASN A 23 7.418 -5.720 -7.839 1.00 43.43 N ATOM 328 CA ASN A 23 6.427 -5.259 -8.810 1.00 61.44 C ATOM 329 C ASN A 23 5.135 -4.828 -8.094 1.00 53.44 C ATOM 330 O ASN A 23 4.034 -5.255 -8.454 1.00 2.43 O ATOM 331 CB ASN A 23 6.122 -6.362 -9.870 1.00 51.23 C ATOM 332 CG ASN A 23 5.902 -7.749 -9.269 1.00 25.12 C ATOM 333 OD1 ASN A 23 6.451 -8.752 -9.703 1.00 34.42 O ATOM 334 ND2 ASN A 23 5.173 -7.846 -8.177 1.00 54.33 N ATOM 0 H ASN A 23 7.050 -5.789 -6.890 1.00 43.43 H new ATOM 0 HA ASN A 23 6.842 -4.397 -9.332 1.00 61.44 H new ATOM 0 HB2 ASN A 23 5.234 -6.075 -10.434 1.00 51.23 H new ATOM 0 HB3 ASN A 23 6.948 -6.410 -10.579 1.00 51.23 H new ATOM 0 HD21 ASN A 23 5.074 -8.746 -7.708 1.00 54.33 H new ATOM 0 HD22 ASN A 23 4.707 -7.021 -7.800 1.00 54.33 H new ATOM 340 N ILE A 24 5.237 -4.107 -6.983 1.00 10.41 N ATOM 341 CA ILE A 24 4.073 -3.792 -6.153 1.00 51.53 C ATOM 342 C ILE A 24 3.447 -2.523 -6.722 1.00 71.03 C ATOM 343 O ILE A 24 4.131 -1.500 -6.746 1.00 34.33 O ATOM 344 CB ILE A 24 4.474 -3.569 -4.675 1.00 3.55 C ATOM 345 CG1 ILE A 24 5.465 -4.627 -4.149 1.00 1.42 C ATOM 346 CG2 ILE A 24 3.205 -3.559 -3.806 1.00 64.32 C ATOM 347 CD1 ILE A 24 6.927 -4.171 -4.293 1.00 73.42 C ATOM 0 H ILE A 24 6.116 -3.727 -6.633 1.00 10.41 H new ATOM 0 HA ILE A 24 3.369 -4.624 -6.169 1.00 51.53 H new ATOM 0 HB ILE A 24 4.988 -2.610 -4.618 1.00 3.55 H new ATOM 0 HG12 ILE A 24 5.252 -4.834 -3.100 1.00 1.42 H new ATOM 0 HG13 ILE A 24 5.321 -5.560 -4.693 1.00 1.42 H new ATOM 0 HG21 ILE A 24 3.480 -3.402 -2.763 1.00 64.32 H new ATOM 0 HG22 ILE A 24 2.547 -2.754 -4.133 1.00 64.32 H new ATOM 0 HG23 ILE A 24 2.688 -4.514 -3.906 1.00 64.32 H new ATOM 0 HD11 ILE A 24 7.590 -4.947 -3.910 1.00 73.42 H new ATOM 0 HD12 ILE A 24 7.150 -3.990 -5.345 1.00 73.42 H new ATOM 0 HD13 ILE A 24 7.079 -3.252 -3.727 1.00 73.42 H new ATOM 358 N LYS A 25 2.185 -2.585 -7.153 1.00 3.24 N ATOM 359 CA LYS A 25 1.446 -1.453 -7.690 1.00 43.42 C ATOM 360 C LYS A 25 0.461 -0.943 -6.641 1.00 52.31 C ATOM 361 O LYS A 25 -0.139 -1.785 -5.969 1.00 23.34 O ATOM 362 CB LYS A 25 0.747 -1.888 -8.986 1.00 22.32 C ATOM 363 CG LYS A 25 -0.044 -0.785 -9.688 1.00 54.13 C ATOM 364 CD LYS A 25 -0.853 -1.349 -10.870 1.00 21.12 C ATOM 365 CE LYS A 25 -2.264 -0.794 -10.714 1.00 53.22 C ATOM 366 NZ LYS A 25 -3.165 -1.110 -11.837 1.00 62.40 N ATOM 0 H LYS A 25 1.640 -3.447 -7.135 1.00 3.24 H new ATOM 0 HA LYS A 25 2.117 -0.629 -7.930 1.00 43.42 H new ATOM 0 HB2 LYS A 25 1.498 -2.273 -9.676 1.00 22.32 H new ATOM 0 HB3 LYS A 25 0.071 -2.712 -8.759 1.00 22.32 H new ATOM 0 HG2 LYS A 25 -0.718 -0.308 -8.977 1.00 54.13 H new ATOM 0 HG3 LYS A 25 0.639 -0.015 -10.046 1.00 54.13 H new ATOM 0 HD2 LYS A 25 -0.417 -1.045 -11.822 1.00 21.12 H new ATOM 0 HD3 LYS A 25 -0.858 -2.439 -10.855 1.00 21.12 H new ATOM 0 HE2 LYS A 25 -2.697 -1.186 -9.794 1.00 53.22 H new ATOM 0 HE3 LYS A 25 -2.206 0.289 -10.603 1.00 53.22 H new ATOM 0 HZ1 LYS A 25 -4.152 -0.977 -11.538 1.00 62.40 H new ATOM 0 HZ2 LYS A 25 -2.958 -0.478 -12.637 1.00 62.40 H new ATOM 0 HZ3 LYS A 25 -3.022 -2.098 -12.130 1.00 62.40 H new ATOM 376 N VAL A 26 0.241 0.375 -6.513 1.00 70.13 N ATOM 377 CA VAL A 26 -0.797 0.899 -5.609 1.00 10.24 C ATOM 378 C VAL A 26 -1.622 1.935 -6.328 1.00 4.52 C ATOM 379 O VAL A 26 -1.037 2.661 -7.117 1.00 73.44 O ATOM 380 CB VAL A 26 -0.179 1.480 -4.329 1.00 43.10 C ATOM 381 CG1 VAL A 26 0.773 0.450 -3.764 1.00 5.25 C ATOM 382 CG2 VAL A 26 0.612 2.782 -4.456 1.00 1.32 C ATOM 0 H VAL A 26 0.762 1.092 -7.018 1.00 70.13 H new ATOM 0 HA VAL A 26 -1.446 0.076 -5.311 1.00 10.24 H new ATOM 0 HB VAL A 26 -1.038 1.720 -3.702 1.00 43.10 H new ATOM 0 HG11 VAL A 26 1.228 0.837 -2.852 1.00 5.25 H new ATOM 0 HG12 VAL A 26 0.226 -0.465 -3.537 1.00 5.25 H new ATOM 0 HG13 VAL A 26 1.552 0.235 -4.495 1.00 5.25 H new ATOM 0 HG21 VAL A 26 0.990 3.075 -3.477 1.00 1.32 H new ATOM 0 HG22 VAL A 26 1.449 2.634 -5.139 1.00 1.32 H new ATOM 0 HG23 VAL A 26 -0.038 3.566 -4.844 1.00 1.32 H new ATOM 392 N THR A 27 -2.920 2.043 -6.038 1.00 42.53 N ATOM 393 CA THR A 27 -3.864 2.838 -6.820 1.00 50.44 C ATOM 394 C THR A 27 -4.737 3.660 -5.857 1.00 2.32 C ATOM 395 O THR A 27 -5.591 3.072 -5.198 1.00 52.41 O ATOM 396 CB THR A 27 -4.721 1.912 -7.729 1.00 24.44 C ATOM 397 OG1 THR A 27 -4.066 0.686 -8.033 1.00 72.11 O ATOM 398 CG2 THR A 27 -5.146 2.562 -9.048 1.00 72.04 C ATOM 0 H THR A 27 -3.350 1.573 -5.241 1.00 42.53 H new ATOM 0 HA THR A 27 -3.328 3.525 -7.475 1.00 50.44 H new ATOM 0 HB THR A 27 -5.613 1.719 -7.133 1.00 24.44 H new ATOM 0 HG1 THR A 27 -4.032 0.125 -7.230 1.00 72.11 H new ATOM 0 HG21 THR A 27 -5.740 1.855 -9.627 1.00 72.04 H new ATOM 0 HG22 THR A 27 -5.741 3.451 -8.840 1.00 72.04 H new ATOM 0 HG23 THR A 27 -4.260 2.843 -9.617 1.00 72.04 H new ATOM 406 N TRP A 28 -4.541 4.975 -5.700 1.00 5.40 N ATOM 407 CA TRP A 28 -5.103 5.770 -4.582 1.00 74.42 C ATOM 408 C TRP A 28 -6.166 6.785 -5.008 1.00 42.32 C ATOM 409 O TRP A 28 -6.593 7.635 -4.242 1.00 53.11 O ATOM 410 CB TRP A 28 -3.977 6.515 -3.864 1.00 3.53 C ATOM 411 CG TRP A 28 -3.264 7.519 -4.705 1.00 13.13 C ATOM 412 CD1 TRP A 28 -3.520 8.841 -4.815 1.00 14.44 C ATOM 413 CD2 TRP A 28 -2.179 7.257 -5.618 1.00 25.01 C ATOM 414 NE1 TRP A 28 -2.631 9.423 -5.693 1.00 5.34 N ATOM 415 CE2 TRP A 28 -1.760 8.484 -6.201 1.00 72.32 C ATOM 416 CE3 TRP A 28 -1.522 6.082 -6.005 1.00 42.21 C ATOM 417 CZ2 TRP A 28 -0.690 8.547 -7.097 1.00 13.34 C ATOM 418 CZ3 TRP A 28 -0.523 6.127 -6.981 1.00 64.44 C ATOM 419 CH2 TRP A 28 -0.107 7.350 -7.532 1.00 25.41 C ATOM 0 H TRP A 28 -3.983 5.530 -6.348 1.00 5.40 H new ATOM 0 HA TRP A 28 -5.594 5.053 -3.925 1.00 74.42 H new ATOM 0 HB2 TRP A 28 -4.391 7.020 -2.991 1.00 3.53 H new ATOM 0 HB3 TRP A 28 -3.253 5.787 -3.498 1.00 3.53 H new ATOM 0 HD1 TRP A 28 -4.306 9.365 -4.292 1.00 14.44 H new ATOM 0 HE1 TRP A 28 -2.619 10.414 -5.934 1.00 5.34 H new ATOM 0 HE3 TRP A 28 -1.788 5.140 -5.548 1.00 42.21 H new ATOM 0 HZ2 TRP A 28 -0.320 9.499 -7.447 1.00 13.34 H new ATOM 0 HZ3 TRP A 28 -0.064 5.208 -7.316 1.00 64.44 H new ATOM 0 HH2 TRP A 28 0.662 7.368 -8.290 1.00 25.41 H new ATOM 429 N ASN A 29 -6.533 6.780 -6.266 1.00 21.12 N ATOM 430 CA ASN A 29 -7.511 7.624 -6.933 1.00 23.11 C ATOM 431 C ASN A 29 -7.886 6.874 -8.205 1.00 73.01 C ATOM 432 O ASN A 29 -7.218 5.911 -8.598 1.00 33.21 O ATOM 433 CB ASN A 29 -6.938 9.017 -7.272 1.00 10.20 C ATOM 434 CG ASN A 29 -7.479 10.156 -6.413 1.00 3.11 C ATOM 435 OD1 ASN A 29 -8.053 11.095 -6.935 1.00 2.10 O ATOM 436 ND2 ASN A 29 -7.313 10.137 -5.103 1.00 4.51 N ATOM 0 H ASN A 29 -6.115 6.119 -6.920 1.00 21.12 H new ATOM 0 HA ASN A 29 -8.372 7.808 -6.290 1.00 23.11 H new ATOM 0 HB2 ASN A 29 -5.854 8.984 -7.166 1.00 10.20 H new ATOM 0 HB3 ASN A 29 -7.150 9.237 -8.318 1.00 10.20 H new ATOM 0 HD21 ASN A 29 -7.665 10.906 -4.533 1.00 4.51 H new ATOM 0 HD22 ASN A 29 -6.833 9.353 -4.661 1.00 4.51 H new ATOM 442 N ASP A 30 -8.944 7.339 -8.863 1.00 5.50 N ATOM 443 CA ASP A 30 -9.647 6.602 -9.924 1.00 70.34 C ATOM 444 C ASP A 30 -8.901 6.604 -11.272 1.00 3.42 C ATOM 445 O ASP A 30 -9.444 6.202 -12.299 1.00 61.35 O ATOM 446 CB ASP A 30 -11.105 7.085 -10.056 1.00 32.11 C ATOM 447 CG ASP A 30 -12.054 5.908 -10.304 1.00 73.13 C ATOM 448 OD1 ASP A 30 -12.124 4.994 -9.447 1.00 65.31 O ATOM 449 OD2 ASP A 30 -12.774 5.880 -11.326 1.00 61.24 O ATOM 0 H ASP A 30 -9.349 8.256 -8.675 1.00 5.50 H new ATOM 0 HA ASP A 30 -9.668 5.556 -9.617 1.00 70.34 H new ATOM 0 HB2 ASP A 30 -11.401 7.610 -9.148 1.00 32.11 H new ATOM 0 HB3 ASP A 30 -11.183 7.798 -10.877 1.00 32.11 H new ATOM 453 N GLY A 31 -7.638 7.038 -11.280 1.00 5.10 N ATOM 454 CA GLY A 31 -6.739 7.017 -12.425 1.00 10.10 C ATOM 455 C GLY A 31 -5.308 7.346 -12.000 1.00 10.42 C ATOM 456 O GLY A 31 -4.641 8.190 -12.607 1.00 62.12 O ATOM 0 H GLY A 31 -7.199 7.431 -10.447 1.00 5.10 H new ATOM 0 HA2 GLY A 31 -6.766 6.034 -12.896 1.00 10.10 H new ATOM 0 HA3 GLY A 31 -7.076 7.737 -13.171 1.00 10.10 H new ATOM 460 N LYS A 32 -4.831 6.716 -10.923 1.00 44.30 N ATOM 461 CA LYS A 32 -3.515 6.965 -10.347 1.00 44.11 C ATOM 462 C LYS A 32 -2.946 5.669 -9.828 1.00 33.23 C ATOM 463 O LYS A 32 -3.544 5.124 -8.910 1.00 54.14 O ATOM 464 CB LYS A 32 -3.648 7.957 -9.183 1.00 70.23 C ATOM 465 CG LYS A 32 -3.399 9.396 -9.621 1.00 32.23 C ATOM 466 CD LYS A 32 -1.916 9.621 -9.944 1.00 54.42 C ATOM 467 CE LYS A 32 -1.692 10.327 -11.280 1.00 33.35 C ATOM 468 NZ LYS A 32 -1.869 9.408 -12.421 1.00 73.30 N ATOM 0 H LYS A 32 -5.363 6.005 -10.420 1.00 44.30 H new ATOM 0 HA LYS A 32 -2.855 7.379 -11.110 1.00 44.11 H new ATOM 0 HB2 LYS A 32 -4.646 7.878 -8.753 1.00 70.23 H new ATOM 0 HB3 LYS A 32 -2.940 7.690 -8.398 1.00 70.23 H new ATOM 0 HG2 LYS A 32 -4.005 9.623 -10.498 1.00 32.23 H new ATOM 0 HG3 LYS A 32 -3.711 10.080 -8.832 1.00 32.23 H new ATOM 0 HD2 LYS A 32 -1.463 10.212 -9.148 1.00 54.42 H new ATOM 0 HD3 LYS A 32 -1.404 8.659 -9.958 1.00 54.42 H new ATOM 0 HE2 LYS A 32 -2.389 11.160 -11.372 1.00 33.35 H new ATOM 0 HE3 LYS A 32 -0.687 10.748 -11.305 1.00 33.35 H new ATOM 0 HZ1 LYS A 32 -1.643 9.906 -13.306 1.00 73.30 H new ATOM 0 HZ2 LYS A 32 -1.234 8.592 -12.311 1.00 73.30 H new ATOM 0 HZ3 LYS A 32 -2.855 9.078 -12.451 1.00 73.30 H new ATOM 478 N GLU A 33 -1.836 5.194 -10.385 1.00 12.33 N ATOM 479 CA GLU A 33 -1.077 4.059 -9.871 1.00 62.21 C ATOM 480 C GLU A 33 0.401 4.406 -9.755 1.00 14.21 C ATOM 481 O GLU A 33 0.895 5.391 -10.315 1.00 61.40 O ATOM 482 CB GLU A 33 -1.299 2.794 -10.718 1.00 72.13 C ATOM 483 CG GLU A 33 -0.842 2.915 -12.177 1.00 14.15 C ATOM 484 CD GLU A 33 -0.709 1.540 -12.827 1.00 2.53 C ATOM 485 OE1 GLU A 33 -1.771 0.937 -13.129 1.00 42.43 O ATOM 486 OE2 GLU A 33 0.442 1.084 -12.986 1.00 31.43 O ATOM 0 H GLU A 33 -1.429 5.599 -11.228 1.00 12.33 H new ATOM 0 HA GLU A 33 -1.448 3.837 -8.870 1.00 62.21 H new ATOM 0 HB2 GLU A 33 -0.769 1.963 -10.253 1.00 72.13 H new ATOM 0 HB3 GLU A 33 -2.360 2.544 -10.703 1.00 72.13 H new ATOM 0 HG2 GLU A 33 -1.557 3.518 -12.737 1.00 14.15 H new ATOM 0 HG3 GLU A 33 0.115 3.435 -12.220 1.00 14.15 H new ATOM 491 N GLN A 34 1.096 3.570 -8.993 1.00 41.11 N ATOM 492 CA GLN A 34 2.482 3.682 -8.591 1.00 51.52 C ATOM 493 C GLN A 34 3.018 2.296 -8.545 1.00 24.13 C ATOM 494 O GLN A 34 2.394 1.492 -7.860 1.00 42.42 O ATOM 495 CB GLN A 34 2.568 4.182 -7.131 1.00 4.33 C ATOM 496 CG GLN A 34 2.957 5.629 -7.171 1.00 13.51 C ATOM 497 CD GLN A 34 4.370 5.834 -7.719 1.00 73.11 C ATOM 498 OE1 GLN A 34 4.618 6.721 -8.516 1.00 74.33 O ATOM 499 NE2 GLN A 34 5.311 4.956 -7.405 1.00 33.22 N ATOM 0 H GLN A 34 0.663 2.729 -8.612 1.00 41.11 H new ATOM 0 HA GLN A 34 3.010 4.351 -9.271 1.00 51.52 H new ATOM 0 HB2 GLN A 34 1.610 4.057 -6.626 1.00 4.33 H new ATOM 0 HB3 GLN A 34 3.302 3.603 -6.570 1.00 4.33 H new ATOM 0 HG2 GLN A 34 2.246 6.177 -7.790 1.00 13.51 H new ATOM 0 HG3 GLN A 34 2.895 6.048 -6.167 1.00 13.51 H new ATOM 0 HE21 GLN A 34 5.111 4.210 -6.738 1.00 33.22 H new ATOM 0 HE22 GLN A 34 6.236 5.026 -7.830 1.00 33.22 H new ATOM 506 N THR A 35 4.188 2.044 -9.119 1.00 30.43 N ATOM 507 CA THR A 35 4.848 0.780 -8.870 1.00 21.35 C ATOM 508 C THR A 35 6.153 1.008 -8.116 1.00 20.01 C ATOM 509 O THR A 35 6.820 2.027 -8.317 1.00 21.04 O ATOM 510 CB THR A 35 4.870 -0.098 -10.129 1.00 24.25 C ATOM 511 OG1 THR A 35 5.739 0.366 -11.143 1.00 5.53 O ATOM 512 CG2 THR A 35 3.463 -0.160 -10.740 1.00 23.13 C ATOM 0 H THR A 35 4.684 2.681 -9.742 1.00 30.43 H new ATOM 0 HA THR A 35 4.275 0.157 -8.183 1.00 21.35 H new ATOM 0 HB THR A 35 5.228 -1.072 -9.795 1.00 24.25 H new ATOM 0 HG1 THR A 35 5.701 -0.243 -11.910 1.00 5.53 H new ATOM 0 HG21 THR A 35 3.482 -0.784 -11.634 1.00 23.13 H new ATOM 0 HG22 THR A 35 2.770 -0.586 -10.015 1.00 23.13 H new ATOM 0 HG23 THR A 35 3.137 0.846 -11.006 1.00 23.13 H new ATOM 520 N VAL A 36 6.463 0.110 -7.185 1.00 64.23 N ATOM 521 CA VAL A 36 7.735 0.024 -6.494 1.00 3.53 C ATOM 522 C VAL A 36 8.561 -1.000 -7.265 1.00 2.43 C ATOM 523 O VAL A 36 8.059 -2.090 -7.572 1.00 63.44 O ATOM 524 CB VAL A 36 7.504 -0.428 -5.040 1.00 52.53 C ATOM 525 CG1 VAL A 36 8.819 -0.779 -4.329 1.00 40.32 C ATOM 526 CG2 VAL A 36 6.758 0.650 -4.238 1.00 71.12 C ATOM 0 H VAL A 36 5.802 -0.606 -6.882 1.00 64.23 H new ATOM 0 HA VAL A 36 8.250 0.984 -6.454 1.00 3.53 H new ATOM 0 HB VAL A 36 6.892 -1.329 -5.088 1.00 52.53 H new ATOM 0 HG11 VAL A 36 8.607 -1.092 -3.307 1.00 40.32 H new ATOM 0 HG12 VAL A 36 9.315 -1.590 -4.862 1.00 40.32 H new ATOM 0 HG13 VAL A 36 9.469 0.096 -4.313 1.00 40.32 H new ATOM 0 HG21 VAL A 36 6.608 0.304 -3.215 1.00 71.12 H new ATOM 0 HG22 VAL A 36 7.345 1.568 -4.228 1.00 71.12 H new ATOM 0 HG23 VAL A 36 5.790 0.843 -4.701 1.00 71.12 H new ATOM 536 N ASN A 37 9.832 -0.665 -7.511 1.00 14.22 N ATOM 537 CA ASN A 37 10.801 -1.575 -8.094 1.00 34.15 C ATOM 538 C ASN A 37 10.904 -2.848 -7.268 1.00 31.31 C ATOM 539 O ASN A 37 10.439 -3.876 -7.741 1.00 21.02 O ATOM 540 CB ASN A 37 12.180 -0.937 -8.282 1.00 35.32 C ATOM 541 CG ASN A 37 13.236 -1.992 -8.608 1.00 24.11 C ATOM 542 OD1 ASN A 37 14.256 -2.090 -7.938 1.00 20.31 O ATOM 543 ND2 ASN A 37 13.007 -2.856 -9.579 1.00 63.13 N ATOM 0 H ASN A 37 10.213 0.259 -7.305 1.00 14.22 H new ATOM 0 HA ASN A 37 10.436 -1.826 -9.090 1.00 34.15 H new ATOM 0 HB2 ASN A 37 12.137 -0.201 -9.085 1.00 35.32 H new ATOM 0 HB3 ASN A 37 12.463 -0.403 -7.375 1.00 35.32 H new ATOM 0 HD21 ASN A 37 13.678 -3.601 -9.768 1.00 63.13 H new ATOM 0 HD22 ASN A 37 12.159 -2.779 -10.140 1.00 63.13 H new ATOM 549 N THR A 38 11.503 -2.815 -6.075 1.00 71.30 N ATOM 550 CA THR A 38 11.646 -4.001 -5.248 1.00 72.10 C ATOM 551 C THR A 38 11.518 -3.615 -3.773 1.00 51.23 C ATOM 552 O THR A 38 11.650 -2.451 -3.396 1.00 11.12 O ATOM 553 CB THR A 38 12.981 -4.714 -5.580 1.00 73.30 C ATOM 554 OG1 THR A 38 13.339 -4.635 -6.951 1.00 52.40 O ATOM 555 CG2 THR A 38 13.025 -6.202 -5.221 1.00 14.23 C ATOM 0 H THR A 38 11.898 -1.969 -5.663 1.00 71.30 H new ATOM 0 HA THR A 38 10.849 -4.714 -5.460 1.00 72.10 H new ATOM 0 HB THR A 38 13.683 -4.163 -4.954 1.00 73.30 H new ATOM 0 HG1 THR A 38 14.189 -5.101 -7.095 1.00 52.40 H new ATOM 0 HG21 THR A 38 13.998 -6.613 -5.491 1.00 14.23 H new ATOM 0 HG22 THR A 38 12.864 -6.323 -4.150 1.00 14.23 H new ATOM 0 HG23 THR A 38 12.244 -6.731 -5.767 1.00 14.23 H new ATOM 563 N LEU A 39 11.232 -4.605 -2.935 1.00 72.41 N ATOM 564 CA LEU A 39 11.101 -4.505 -1.494 1.00 55.42 C ATOM 565 C LEU A 39 11.648 -5.814 -0.954 1.00 0.11 C ATOM 566 O LEU A 39 11.106 -6.888 -1.240 1.00 21.51 O ATOM 567 CB LEU A 39 9.628 -4.291 -1.098 1.00 64.13 C ATOM 568 CG LEU A 39 9.260 -3.137 -0.151 1.00 60.52 C ATOM 569 CD1 LEU A 39 9.974 -1.808 -0.410 1.00 60.13 C ATOM 570 CD2 LEU A 39 7.749 -2.912 -0.287 1.00 1.45 C ATOM 0 H LEU A 39 11.077 -5.556 -3.269 1.00 72.41 H new ATOM 0 HA LEU A 39 11.645 -3.653 -1.085 1.00 55.42 H new ATOM 0 HB2 LEU A 39 9.059 -4.153 -2.017 1.00 64.13 H new ATOM 0 HB3 LEU A 39 9.275 -5.215 -0.640 1.00 64.13 H new ATOM 0 HG LEU A 39 9.579 -3.439 0.847 1.00 60.52 H new ATOM 0 HD11 LEU A 39 9.638 -1.067 0.316 1.00 60.13 H new ATOM 0 HD12 LEU A 39 11.051 -1.949 -0.314 1.00 60.13 H new ATOM 0 HD13 LEU A 39 9.742 -1.461 -1.417 1.00 60.13 H new ATOM 0 HD21 LEU A 39 7.442 -2.098 0.370 1.00 1.45 H new ATOM 0 HD22 LEU A 39 7.511 -2.655 -1.319 1.00 1.45 H new ATOM 0 HD23 LEU A 39 7.219 -3.823 -0.009 1.00 1.45 H new ATOM 581 N GLY A 40 12.754 -5.703 -0.231 1.00 4.05 N ATOM 582 CA GLY A 40 13.367 -6.793 0.502 1.00 44.34 C ATOM 583 C GLY A 40 12.490 -7.210 1.674 1.00 11.45 C ATOM 584 O GLY A 40 11.437 -6.625 1.939 1.00 32.53 O ATOM 0 H GLY A 40 13.262 -4.823 -0.138 1.00 4.05 H new ATOM 0 HA2 GLY A 40 13.524 -7.643 -0.163 1.00 44.34 H new ATOM 0 HA3 GLY A 40 14.348 -6.488 0.865 1.00 44.34 H new ATOM 588 N SER A 41 12.921 -8.234 2.395 1.00 64.23 N ATOM 589 CA SER A 41 12.228 -8.719 3.578 1.00 12.12 C ATOM 590 C SER A 41 12.198 -7.586 4.612 1.00 55.34 C ATOM 591 O SER A 41 13.254 -7.024 4.912 1.00 43.43 O ATOM 592 CB SER A 41 12.968 -9.954 4.108 1.00 55.40 C ATOM 593 OG SER A 41 13.424 -10.766 3.032 1.00 54.01 O ATOM 0 H SER A 41 13.769 -8.756 2.173 1.00 64.23 H new ATOM 0 HA SER A 41 11.202 -9.011 3.353 1.00 12.12 H new ATOM 0 HB2 SER A 41 13.815 -9.642 4.719 1.00 55.40 H new ATOM 0 HB3 SER A 41 12.306 -10.533 4.752 1.00 55.40 H new ATOM 0 HG SER A 41 13.895 -11.548 3.389 1.00 54.01 H new ATOM 598 N HIS A 42 11.014 -7.229 5.121 1.00 51.14 N ATOM 599 CA HIS A 42 10.785 -6.078 6.000 1.00 42.02 C ATOM 600 C HIS A 42 11.228 -4.731 5.407 1.00 54.22 C ATOM 601 O HIS A 42 11.374 -3.756 6.150 1.00 42.33 O ATOM 602 CB HIS A 42 11.341 -6.353 7.408 1.00 52.33 C ATOM 603 CG HIS A 42 10.368 -7.080 8.293 1.00 51.30 C ATOM 604 ND1 HIS A 42 9.728 -6.533 9.381 1.00 1.35 N ATOM 605 CD2 HIS A 42 9.971 -8.384 8.178 1.00 15.23 C ATOM 606 CE1 HIS A 42 8.961 -7.486 9.926 1.00 21.44 C ATOM 607 NE2 HIS A 42 9.111 -8.639 9.251 1.00 24.35 N ATOM 0 H HIS A 42 10.160 -7.751 4.926 1.00 51.14 H new ATOM 0 HA HIS A 42 9.705 -5.961 6.094 1.00 42.02 H new ATOM 0 HB2 HIS A 42 12.255 -6.941 7.323 1.00 52.33 H new ATOM 0 HB3 HIS A 42 11.613 -5.407 7.876 1.00 52.33 H new ATOM 0 HD2 HIS A 42 10.265 -9.082 7.408 1.00 15.23 H new ATOM 0 HE1 HIS A 42 8.317 -7.349 10.782 1.00 21.44 H new ATOM 0 HE2 HIS A 42 8.678 -9.534 9.479 1.00 24.35 H new ATOM 614 N ASP A 43 11.432 -4.625 4.089 1.00 53.01 N ATOM 615 CA ASP A 43 11.775 -3.337 3.488 1.00 71.53 C ATOM 616 C ASP A 43 10.620 -2.356 3.561 1.00 24.25 C ATOM 617 O ASP A 43 9.465 -2.712 3.819 1.00 61.41 O ATOM 618 CB ASP A 43 12.304 -3.452 2.057 1.00 41.00 C ATOM 619 CG ASP A 43 13.193 -2.297 1.588 1.00 34.23 C ATOM 620 OD1 ASP A 43 13.557 -1.429 2.409 1.00 74.50 O ATOM 621 OD2 ASP A 43 13.528 -2.260 0.383 1.00 11.03 O ATOM 0 H ASP A 43 11.367 -5.402 3.431 1.00 53.01 H new ATOM 0 HA ASP A 43 12.596 -2.946 4.089 1.00 71.53 H new ATOM 0 HB2 ASP A 43 12.869 -4.380 1.970 1.00 41.00 H new ATOM 0 HB3 ASP A 43 11.454 -3.532 1.379 1.00 41.00 H new ATOM 625 N SER A 44 10.963 -1.105 3.318 1.00 2.22 N ATOM 626 CA SER A 44 10.062 0.020 3.360 1.00 41.44 C ATOM 627 C SER A 44 10.492 1.115 2.379 1.00 53.12 C ATOM 628 O SER A 44 11.677 1.311 2.112 1.00 31.24 O ATOM 629 CB SER A 44 9.900 0.471 4.825 1.00 72.24 C ATOM 630 OG SER A 44 11.112 0.496 5.564 1.00 11.31 O ATOM 0 H SER A 44 11.918 -0.839 3.076 1.00 2.22 H new ATOM 0 HA SER A 44 9.069 -0.262 3.011 1.00 41.44 H new ATOM 0 HB2 SER A 44 9.458 1.467 4.840 1.00 72.24 H new ATOM 0 HB3 SER A 44 9.197 -0.197 5.323 1.00 72.24 H new ATOM 0 HG SER A 44 10.930 0.792 6.480 1.00 11.31 H new ATOM 635 N ILE A 45 9.512 1.826 1.824 1.00 64.51 N ATOM 636 CA ILE A 45 9.645 2.905 0.858 1.00 21.22 C ATOM 637 C ILE A 45 8.410 3.792 0.969 1.00 22.11 C ATOM 638 O ILE A 45 7.284 3.315 1.099 1.00 21.43 O ATOM 639 CB ILE A 45 9.808 2.337 -0.572 1.00 44.31 C ATOM 640 CG1 ILE A 45 9.984 3.486 -1.588 1.00 35.11 C ATOM 641 CG2 ILE A 45 8.643 1.430 -1.020 1.00 60.23 C ATOM 642 CD1 ILE A 45 10.381 3.010 -2.985 1.00 74.34 C ATOM 0 H ILE A 45 8.535 1.647 2.057 1.00 64.51 H new ATOM 0 HA ILE A 45 10.537 3.496 1.068 1.00 21.22 H new ATOM 0 HB ILE A 45 10.700 1.711 -0.543 1.00 44.31 H new ATOM 0 HG12 ILE A 45 9.052 4.047 -1.655 1.00 35.11 H new ATOM 0 HG13 ILE A 45 10.744 4.174 -1.218 1.00 35.11 H new ATOM 0 HG21 ILE A 45 8.830 1.071 -2.032 1.00 60.23 H new ATOM 0 HG22 ILE A 45 8.562 0.580 -0.342 1.00 60.23 H new ATOM 0 HG23 ILE A 45 7.713 1.997 -1.002 1.00 60.23 H new ATOM 0 HD11 ILE A 45 10.487 3.870 -3.646 1.00 74.34 H new ATOM 0 HD12 ILE A 45 11.329 2.475 -2.931 1.00 74.34 H new ATOM 0 HD13 ILE A 45 9.611 2.345 -3.375 1.00 74.34 H new ATOM 653 N ASP A 46 8.623 5.083 0.816 1.00 34.51 N ATOM 654 CA ASP A 46 7.646 6.146 0.873 1.00 32.14 C ATOM 655 C ASP A 46 7.712 6.863 -0.452 1.00 53.13 C ATOM 656 O ASP A 46 8.798 7.045 -1.014 1.00 73.34 O ATOM 657 CB ASP A 46 7.913 7.143 2.015 1.00 13.14 C ATOM 658 CG ASP A 46 9.368 7.581 2.226 1.00 63.31 C ATOM 659 OD1 ASP A 46 10.242 6.700 2.381 1.00 0.22 O ATOM 660 OD2 ASP A 46 9.658 8.790 2.375 1.00 2.03 O ATOM 0 H ASP A 46 9.560 5.442 0.634 1.00 34.51 H new ATOM 0 HA ASP A 46 6.662 5.719 1.067 1.00 32.14 H new ATOM 0 HB2 ASP A 46 7.313 8.035 1.834 1.00 13.14 H new ATOM 0 HB3 ASP A 46 7.554 6.700 2.944 1.00 13.14 H new ATOM 664 N PHE A 47 6.543 7.239 -0.962 1.00 4.45 N ATOM 665 CA PHE A 47 6.458 8.087 -2.143 1.00 3.25 C ATOM 666 C PHE A 47 5.305 9.086 -2.042 1.00 62.24 C ATOM 667 O PHE A 47 4.292 8.823 -1.379 1.00 3.12 O ATOM 668 CB PHE A 47 6.411 7.234 -3.421 1.00 61.54 C ATOM 669 CG PHE A 47 5.522 6.006 -3.370 1.00 14.31 C ATOM 670 CD1 PHE A 47 4.176 6.100 -3.755 1.00 42.34 C ATOM 671 CD2 PHE A 47 6.043 4.768 -2.946 1.00 3.35 C ATOM 672 CE1 PHE A 47 3.361 4.958 -3.766 1.00 2.11 C ATOM 673 CE2 PHE A 47 5.223 3.624 -2.938 1.00 35.22 C ATOM 674 CZ PHE A 47 3.885 3.717 -3.366 1.00 52.13 C ATOM 0 H PHE A 47 5.640 6.968 -0.573 1.00 4.45 H new ATOM 0 HA PHE A 47 7.364 8.690 -2.200 1.00 3.25 H new ATOM 0 HB2 PHE A 47 6.076 7.866 -4.244 1.00 61.54 H new ATOM 0 HB3 PHE A 47 7.426 6.914 -3.657 1.00 61.54 H new ATOM 0 HD1 PHE A 47 3.765 7.056 -4.044 1.00 42.34 H new ATOM 0 HD2 PHE A 47 7.072 4.696 -2.627 1.00 3.35 H new ATOM 0 HE1 PHE A 47 2.331 5.033 -4.082 1.00 2.11 H new ATOM 0 HE2 PHE A 47 5.620 2.677 -2.604 1.00 35.22 H new ATOM 0 HZ PHE A 47 3.262 2.835 -3.387 1.00 52.13 H new ATOM 683 N SER A 48 5.469 10.222 -2.731 1.00 54.32 N ATOM 684 CA SER A 48 4.435 11.223 -2.960 1.00 31.24 C ATOM 685 C SER A 48 3.328 10.630 -3.842 1.00 54.10 C ATOM 686 O SER A 48 3.425 9.514 -4.359 1.00 33.23 O ATOM 687 CB SER A 48 5.080 12.464 -3.613 1.00 53.22 C ATOM 688 OG SER A 48 4.189 13.570 -3.704 1.00 23.34 O ATOM 0 H SER A 48 6.361 10.473 -3.158 1.00 54.32 H new ATOM 0 HA SER A 48 3.979 11.525 -2.017 1.00 31.24 H new ATOM 0 HB2 SER A 48 5.957 12.757 -3.036 1.00 53.22 H new ATOM 0 HB3 SER A 48 5.429 12.202 -4.612 1.00 53.22 H new ATOM 0 HG SER A 48 4.649 14.327 -4.123 1.00 23.34 H new ATOM 693 N SER A 49 2.275 11.407 -4.052 1.00 13.34 N ATOM 694 CA SER A 49 1.194 11.133 -4.953 1.00 40.12 C ATOM 695 C SER A 49 1.014 12.347 -5.871 1.00 44.00 C ATOM 696 O SER A 49 1.800 13.295 -5.812 1.00 75.50 O ATOM 697 CB SER A 49 -0.002 10.814 -4.072 1.00 32.40 C ATOM 698 OG SER A 49 -0.603 11.993 -3.596 1.00 71.44 O ATOM 0 H SER A 49 2.157 12.295 -3.563 1.00 13.34 H new ATOM 0 HA SER A 49 1.359 10.287 -5.620 1.00 40.12 H new ATOM 0 HB2 SER A 49 -0.730 10.232 -4.637 1.00 32.40 H new ATOM 0 HB3 SER A 49 0.315 10.197 -3.231 1.00 32.40 H new ATOM 0 HG SER A 49 -1.435 11.770 -3.129 1.00 71.44 H new ATOM 703 N ASP A 50 -0.045 12.326 -6.680 1.00 74.12 N ATOM 704 CA ASP A 50 -0.447 13.392 -7.604 1.00 73.25 C ATOM 705 C ASP A 50 -1.825 13.962 -7.199 1.00 63.45 C ATOM 706 O ASP A 50 -2.516 14.593 -8.001 1.00 53.22 O ATOM 707 CB ASP A 50 -0.471 12.796 -9.022 1.00 74.21 C ATOM 708 CG ASP A 50 -0.239 13.773 -10.175 1.00 73.12 C ATOM 709 OD1 ASP A 50 -0.303 15.014 -9.996 1.00 3.55 O ATOM 710 OD2 ASP A 50 -0.052 13.289 -11.309 1.00 70.33 O ATOM 0 H ASP A 50 -0.678 11.527 -6.712 1.00 74.12 H new ATOM 0 HA ASP A 50 0.259 14.222 -7.571 1.00 73.25 H new ATOM 0 HB2 ASP A 50 0.288 12.016 -9.077 1.00 74.21 H new ATOM 0 HB3 ASP A 50 -1.436 12.313 -9.173 1.00 74.21 H new ATOM 714 N ALA A 51 -2.292 13.679 -5.970 1.00 34.10 N ATOM 715 CA ALA A 51 -3.627 14.041 -5.487 1.00 41.34 C ATOM 716 C ALA A 51 -3.557 14.461 -4.020 1.00 34.10 C ATOM 717 O ALA A 51 -2.988 13.745 -3.195 1.00 64.53 O ATOM 718 CB ALA A 51 -4.578 12.847 -5.653 1.00 61.12 C ATOM 0 H ALA A 51 -1.736 13.182 -5.274 1.00 34.10 H new ATOM 0 HA ALA A 51 -4.005 14.880 -6.072 1.00 41.34 H new ATOM 0 HB1 ALA A 51 -5.570 13.119 -5.293 1.00 61.12 H new ATOM 0 HB2 ALA A 51 -4.637 12.572 -6.706 1.00 61.12 H new ATOM 0 HB3 ALA A 51 -4.203 12.000 -5.078 1.00 61.12 H new ATOM 724 N GLY A 52 -4.147 15.603 -3.666 1.00 63.21 N ATOM 725 CA GLY A 52 -4.095 16.149 -2.312 1.00 21.32 C ATOM 726 C GLY A 52 -5.136 15.548 -1.372 1.00 2.42 C ATOM 727 O GLY A 52 -5.117 15.845 -0.176 1.00 71.35 O ATOM 0 H GLY A 52 -4.679 16.179 -4.318 1.00 63.21 H new ATOM 0 HA2 GLY A 52 -3.101 15.978 -1.898 1.00 21.32 H new ATOM 0 HA3 GLY A 52 -4.239 17.228 -2.358 1.00 21.32 H new ATOM 731 N SER A 53 -6.028 14.692 -1.870 1.00 72.23 N ATOM 732 CA SER A 53 -6.914 13.915 -1.032 1.00 71.44 C ATOM 733 C SER A 53 -7.106 12.537 -1.656 1.00 51.12 C ATOM 734 O SER A 53 -6.902 12.319 -2.855 1.00 43.45 O ATOM 735 CB SER A 53 -8.206 14.709 -0.791 1.00 25.53 C ATOM 736 OG SER A 53 -9.227 13.989 -0.122 1.00 3.42 O ATOM 0 H SER A 53 -6.150 14.524 -2.869 1.00 72.23 H new ATOM 0 HA SER A 53 -6.492 13.736 -0.043 1.00 71.44 H new ATOM 0 HB2 SER A 53 -7.966 15.599 -0.209 1.00 25.53 H new ATOM 0 HB3 SER A 53 -8.591 15.051 -1.752 1.00 25.53 H new ATOM 0 HG SER A 53 -10.012 14.565 -0.007 1.00 3.42 H new ATOM 741 N VAL A 54 -7.443 11.598 -0.784 1.00 2.30 N ATOM 742 CA VAL A 54 -7.628 10.182 -1.040 1.00 54.35 C ATOM 743 C VAL A 54 -8.646 9.696 -0.021 1.00 33.32 C ATOM 744 O VAL A 54 -8.629 10.117 1.142 1.00 41.02 O ATOM 745 CB VAL A 54 -6.294 9.408 -0.890 1.00 74.54 C ATOM 746 CG1 VAL A 54 -6.481 7.895 -1.102 1.00 31.30 C ATOM 747 CG2 VAL A 54 -5.255 9.896 -1.900 1.00 22.53 C ATOM 0 H VAL A 54 -7.606 11.827 0.196 1.00 2.30 H new ATOM 0 HA VAL A 54 -7.973 10.012 -2.060 1.00 54.35 H new ATOM 0 HB VAL A 54 -5.950 9.595 0.127 1.00 74.54 H new ATOM 0 HG11 VAL A 54 -5.522 7.390 -0.988 1.00 31.30 H new ATOM 0 HG12 VAL A 54 -7.184 7.508 -0.364 1.00 31.30 H new ATOM 0 HG13 VAL A 54 -6.870 7.713 -2.104 1.00 31.30 H new ATOM 0 HG21 VAL A 54 -4.330 9.334 -1.770 1.00 22.53 H new ATOM 0 HG22 VAL A 54 -5.632 9.745 -2.912 1.00 22.53 H new ATOM 0 HG23 VAL A 54 -5.061 10.957 -1.739 1.00 22.53 H new ATOM 757 N TYR A 55 -9.488 8.764 -0.453 1.00 14.44 N ATOM 758 CA TYR A 55 -10.408 8.002 0.376 1.00 50.21 C ATOM 759 C TYR A 55 -10.502 6.546 -0.106 1.00 5.52 C ATOM 760 O TYR A 55 -11.381 5.817 0.334 1.00 70.01 O ATOM 761 CB TYR A 55 -11.767 8.715 0.439 1.00 32.24 C ATOM 762 CG TYR A 55 -12.274 9.356 -0.848 1.00 21.20 C ATOM 763 CD1 TYR A 55 -12.139 8.701 -2.090 1.00 73.43 C ATOM 764 CD2 TYR A 55 -12.868 10.632 -0.803 1.00 64.42 C ATOM 765 CE1 TYR A 55 -12.541 9.338 -3.275 1.00 25.04 C ATOM 766 CE2 TYR A 55 -13.304 11.262 -1.981 1.00 64.04 C ATOM 767 CZ TYR A 55 -13.128 10.623 -3.227 1.00 10.51 C ATOM 768 OH TYR A 55 -13.514 11.236 -4.380 1.00 71.41 O ATOM 0 H TYR A 55 -9.549 8.509 -1.439 1.00 14.44 H new ATOM 0 HA TYR A 55 -10.029 7.953 1.397 1.00 50.21 H new ATOM 0 HB2 TYR A 55 -12.512 7.994 0.774 1.00 32.24 H new ATOM 0 HB3 TYR A 55 -11.707 9.490 1.203 1.00 32.24 H new ATOM 0 HD1 TYR A 55 -11.724 7.705 -2.130 1.00 73.43 H new ATOM 0 HD2 TYR A 55 -12.990 11.132 0.147 1.00 64.42 H new ATOM 0 HE1 TYR A 55 -12.401 8.845 -4.226 1.00 25.04 H new ATOM 0 HE2 TYR A 55 -13.773 12.234 -1.933 1.00 64.04 H new ATOM 0 HH TYR A 55 -13.900 12.112 -4.171 1.00 71.41 H new ATOM 777 N LYS A 56 -9.641 6.088 -1.022 1.00 30.21 N ATOM 778 CA LYS A 56 -9.689 4.733 -1.580 1.00 61.44 C ATOM 779 C LYS A 56 -8.274 4.288 -1.900 1.00 43.41 C ATOM 780 O LYS A 56 -7.419 5.142 -2.130 1.00 74.01 O ATOM 781 CB LYS A 56 -10.580 4.712 -2.838 1.00 10.12 C ATOM 782 CG LYS A 56 -10.067 5.607 -3.989 1.00 11.32 C ATOM 783 CD LYS A 56 -11.127 5.891 -5.061 1.00 62.45 C ATOM 784 CE LYS A 56 -11.655 4.631 -5.763 1.00 43.15 C ATOM 785 NZ LYS A 56 -12.709 4.960 -6.749 1.00 24.40 N ATOM 0 H LYS A 56 -8.883 6.655 -1.401 1.00 30.21 H new ATOM 0 HA LYS A 56 -10.122 4.042 -0.857 1.00 61.44 H new ATOM 0 HB2 LYS A 56 -10.659 3.686 -3.197 1.00 10.12 H new ATOM 0 HB3 LYS A 56 -11.585 5.032 -2.564 1.00 10.12 H new ATOM 0 HG2 LYS A 56 -9.717 6.553 -3.575 1.00 11.32 H new ATOM 0 HG3 LYS A 56 -9.208 5.127 -4.457 1.00 11.32 H new ATOM 0 HD2 LYS A 56 -11.964 6.416 -4.600 1.00 62.45 H new ATOM 0 HD3 LYS A 56 -10.703 6.561 -5.809 1.00 62.45 H new ATOM 0 HE2 LYS A 56 -10.833 4.121 -6.265 1.00 43.15 H new ATOM 0 HE3 LYS A 56 -12.053 3.939 -5.020 1.00 43.15 H new ATOM 0 HZ1 LYS A 56 -13.576 4.434 -6.519 1.00 24.40 H new ATOM 0 HZ2 LYS A 56 -12.905 5.981 -6.720 1.00 24.40 H new ATOM 0 HZ3 LYS A 56 -12.387 4.696 -7.702 1.00 24.40 H new ATOM 795 N MET A 57 -8.018 2.986 -1.899 1.00 11.12 N ATOM 796 CA MET A 57 -6.719 2.449 -2.267 1.00 54.24 C ATOM 797 C MET A 57 -6.907 1.032 -2.785 1.00 24.43 C ATOM 798 O MET A 57 -7.644 0.270 -2.162 1.00 42.15 O ATOM 799 CB MET A 57 -5.781 2.482 -1.058 1.00 10.53 C ATOM 800 CG MET A 57 -4.366 2.010 -1.375 1.00 62.44 C ATOM 801 SD MET A 57 -3.408 3.068 -2.490 1.00 43.11 S ATOM 802 CE MET A 57 -2.819 4.285 -1.277 1.00 3.54 C ATOM 0 H MET A 57 -8.704 2.276 -1.643 1.00 11.12 H new ATOM 0 HA MET A 57 -6.266 3.054 -3.053 1.00 54.24 H new ATOM 0 HB2 MET A 57 -5.738 3.499 -0.669 1.00 10.53 H new ATOM 0 HB3 MET A 57 -6.196 1.856 -0.268 1.00 10.53 H new ATOM 0 HG2 MET A 57 -3.818 1.913 -0.438 1.00 62.44 H new ATOM 0 HG3 MET A 57 -4.426 1.014 -1.814 1.00 62.44 H new ATOM 0 HE1 MET A 57 -2.027 4.888 -1.722 1.00 3.54 H new ATOM 0 HE2 MET A 57 -3.645 4.932 -0.980 1.00 3.54 H new ATOM 0 HE3 MET A 57 -2.431 3.766 -0.400 1.00 3.54 H new ATOM 810 N ASP A 58 -6.219 0.680 -3.871 1.00 63.34 N ATOM 811 CA ASP A 58 -6.162 -0.672 -4.421 1.00 33.31 C ATOM 812 C ASP A 58 -4.693 -1.025 -4.595 1.00 74.14 C ATOM 813 O ASP A 58 -4.027 -0.486 -5.484 1.00 53.53 O ATOM 814 CB ASP A 58 -6.864 -0.818 -5.776 1.00 53.41 C ATOM 815 CG ASP A 58 -8.384 -0.731 -5.760 1.00 42.45 C ATOM 816 OD1 ASP A 58 -9.024 -0.499 -4.713 1.00 12.30 O ATOM 817 OD2 ASP A 58 -8.956 -0.872 -6.863 1.00 52.13 O ATOM 0 H ASP A 58 -5.669 1.350 -4.408 1.00 63.34 H new ATOM 0 HA ASP A 58 -6.683 -1.336 -3.731 1.00 33.31 H new ATOM 0 HB2 ASP A 58 -6.484 -0.045 -6.444 1.00 53.41 H new ATOM 0 HB3 ASP A 58 -6.581 -1.778 -6.207 1.00 53.41 H new ATOM 821 N VAL A 59 -4.175 -1.896 -3.738 1.00 1.21 N ATOM 822 CA VAL A 59 -2.887 -2.554 -3.922 1.00 5.41 C ATOM 823 C VAL A 59 -3.083 -3.707 -4.905 1.00 71.21 C ATOM 824 O VAL A 59 -4.142 -4.339 -4.905 1.00 13.43 O ATOM 825 CB VAL A 59 -2.345 -3.075 -2.574 1.00 2.24 C ATOM 826 CG1 VAL A 59 -0.896 -3.572 -2.711 1.00 52.53 C ATOM 827 CG2 VAL A 59 -2.407 -1.974 -1.506 1.00 51.53 C ATOM 0 H VAL A 59 -4.648 -2.171 -2.877 1.00 1.21 H new ATOM 0 HA VAL A 59 -2.157 -1.846 -4.315 1.00 5.41 H new ATOM 0 HB VAL A 59 -2.974 -3.911 -2.269 1.00 2.24 H new ATOM 0 HG11 VAL A 59 -0.542 -3.933 -1.745 1.00 52.53 H new ATOM 0 HG12 VAL A 59 -0.857 -4.383 -3.438 1.00 52.53 H new ATOM 0 HG13 VAL A 59 -0.261 -2.753 -3.047 1.00 52.53 H new ATOM 0 HG21 VAL A 59 -2.021 -2.360 -0.563 1.00 51.53 H new ATOM 0 HG22 VAL A 59 -1.804 -1.124 -1.824 1.00 51.53 H new ATOM 0 HG23 VAL A 59 -3.441 -1.655 -1.372 1.00 51.53 H new ATOM 837 N THR A 60 -2.068 -4.002 -5.711 1.00 33.32 N ATOM 838 CA THR A 60 -2.031 -5.126 -6.625 1.00 51.53 C ATOM 839 C THR A 60 -0.541 -5.416 -6.824 1.00 52.50 C ATOM 840 O THR A 60 0.215 -4.570 -7.294 1.00 14.24 O ATOM 841 CB THR A 60 -2.871 -4.828 -7.897 1.00 34.15 C ATOM 842 OG1 THR A 60 -2.387 -5.519 -9.037 1.00 23.15 O ATOM 843 CG2 THR A 60 -3.049 -3.342 -8.229 1.00 25.24 C ATOM 0 H THR A 60 -1.218 -3.439 -5.742 1.00 33.32 H new ATOM 0 HA THR A 60 -2.506 -6.034 -6.254 1.00 51.53 H new ATOM 0 HB THR A 60 -3.861 -5.203 -7.637 1.00 34.15 H new ATOM 0 HG1 THR A 60 -2.946 -5.303 -9.812 1.00 23.15 H new ATOM 0 HG21 THR A 60 -3.649 -3.241 -9.133 1.00 25.24 H new ATOM 0 HG22 THR A 60 -3.552 -2.842 -7.401 1.00 25.24 H new ATOM 0 HG23 THR A 60 -2.072 -2.885 -8.389 1.00 25.24 H new ATOM 851 N GLY A 61 -0.060 -6.559 -6.353 1.00 61.11 N ATOM 852 CA GLY A 61 1.349 -6.922 -6.429 1.00 14.52 C ATOM 853 C GLY A 61 1.554 -8.427 -6.511 1.00 22.42 C ATOM 854 O GLY A 61 0.591 -9.195 -6.471 1.00 10.22 O ATOM 0 H GLY A 61 -0.642 -7.266 -5.904 1.00 61.11 H new ATOM 0 HA2 GLY A 61 1.797 -6.448 -7.302 1.00 14.52 H new ATOM 0 HA3 GLY A 61 1.870 -6.534 -5.554 1.00 14.52 H new ATOM 858 N THR A 62 2.819 -8.847 -6.623 1.00 21.45 N ATOM 859 CA THR A 62 3.182 -10.250 -6.792 1.00 44.21 C ATOM 860 C THR A 62 4.467 -10.565 -6.015 1.00 12.52 C ATOM 861 O THR A 62 5.438 -9.801 -6.092 1.00 64.40 O ATOM 862 CB THR A 62 3.359 -10.585 -8.285 1.00 62.13 C ATOM 863 OG1 THR A 62 2.537 -9.800 -9.137 1.00 63.41 O ATOM 864 CG2 THR A 62 3.061 -12.061 -8.508 1.00 10.22 C ATOM 0 H THR A 62 3.620 -8.217 -6.598 1.00 21.45 H new ATOM 0 HA THR A 62 2.376 -10.867 -6.395 1.00 44.21 H new ATOM 0 HB THR A 62 4.392 -10.353 -8.544 1.00 62.13 H new ATOM 0 HG1 THR A 62 2.694 -10.056 -10.070 1.00 63.41 H new ATOM 0 HG21 THR A 62 3.185 -12.302 -9.564 1.00 10.22 H new ATOM 0 HG22 THR A 62 3.748 -12.665 -7.915 1.00 10.22 H new ATOM 0 HG23 THR A 62 2.036 -12.275 -8.205 1.00 10.22 H new ATOM 872 N THR A 63 4.463 -11.649 -5.244 1.00 42.50 N ATOM 873 CA THR A 63 5.591 -12.186 -4.488 1.00 33.12 C ATOM 874 C THR A 63 6.666 -12.754 -5.410 1.00 65.03 C ATOM 875 O THR A 63 6.456 -12.910 -6.618 1.00 63.14 O ATOM 876 CB THR A 63 5.111 -13.241 -3.469 1.00 41.20 C ATOM 877 OG1 THR A 63 4.838 -14.480 -4.091 1.00 70.04 O ATOM 878 CG2 THR A 63 3.863 -12.810 -2.696 1.00 52.53 C ATOM 0 H THR A 63 3.620 -12.211 -5.123 1.00 42.50 H new ATOM 0 HA THR A 63 6.044 -11.363 -3.936 1.00 33.12 H new ATOM 0 HB THR A 63 5.936 -13.346 -2.765 1.00 41.20 H new ATOM 0 HG1 THR A 63 4.694 -15.165 -3.406 1.00 70.04 H new ATOM 0 HG21 THR A 63 3.578 -13.596 -1.997 1.00 52.53 H new ATOM 0 HG22 THR A 63 4.075 -11.894 -2.145 1.00 52.53 H new ATOM 0 HG23 THR A 63 3.045 -12.633 -3.395 1.00 52.53 H new ATOM 886 N GLN A 64 7.813 -13.114 -4.828 1.00 55.34 N ATOM 887 CA GLN A 64 8.884 -13.847 -5.487 1.00 53.30 C ATOM 888 C GLN A 64 8.401 -15.170 -6.097 1.00 23.31 C ATOM 889 O GLN A 64 8.867 -15.533 -7.176 1.00 30.44 O ATOM 890 CB GLN A 64 10.030 -14.003 -4.483 1.00 53.52 C ATOM 891 CG GLN A 64 11.299 -14.595 -5.106 1.00 61.01 C ATOM 892 CD GLN A 64 11.387 -16.094 -4.861 1.00 73.01 C ATOM 893 OE1 GLN A 64 11.196 -16.905 -5.756 1.00 75.14 O ATOM 894 NE2 GLN A 64 11.663 -16.484 -3.640 1.00 21.14 N ATOM 0 H GLN A 64 8.023 -12.894 -3.854 1.00 55.34 H new ATOM 0 HA GLN A 64 9.250 -13.289 -6.349 1.00 53.30 H new ATOM 0 HB2 GLN A 64 10.264 -13.029 -4.053 1.00 53.52 H new ATOM 0 HB3 GLN A 64 9.702 -14.643 -3.663 1.00 53.52 H new ATOM 0 HG2 GLN A 64 11.306 -14.398 -6.178 1.00 61.01 H new ATOM 0 HG3 GLN A 64 12.176 -14.103 -4.686 1.00 61.01 H new ATOM 0 HE21 GLN A 64 11.819 -15.792 -2.907 1.00 21.14 H new ATOM 0 HE22 GLN A 64 11.722 -17.479 -3.423 1.00 21.14 H new ATOM 901 N SER A 65 7.442 -15.853 -5.464 1.00 33.44 N ATOM 902 CA SER A 65 6.837 -17.064 -6.006 1.00 1.42 C ATOM 903 C SER A 65 5.947 -16.797 -7.221 1.00 70.41 C ATOM 904 O SER A 65 5.535 -17.748 -7.881 1.00 42.52 O ATOM 905 CB SER A 65 5.992 -17.737 -4.923 1.00 3.21 C ATOM 906 OG SER A 65 6.813 -18.316 -3.925 1.00 74.22 O ATOM 0 H SER A 65 7.065 -15.576 -4.557 1.00 33.44 H new ATOM 0 HA SER A 65 7.655 -17.707 -6.331 1.00 1.42 H new ATOM 0 HB2 SER A 65 5.325 -17.004 -4.470 1.00 3.21 H new ATOM 0 HB3 SER A 65 5.363 -18.506 -5.373 1.00 3.21 H new ATOM 0 HG SER A 65 6.250 -18.739 -3.243 1.00 74.22 H new ATOM 911 N GLY A 66 5.604 -15.542 -7.519 1.00 45.11 N ATOM 912 CA GLY A 66 4.576 -15.256 -8.498 1.00 24.02 C ATOM 913 C GLY A 66 3.171 -15.435 -7.931 1.00 53.43 C ATOM 914 O GLY A 66 2.232 -15.531 -8.725 1.00 33.41 O ATOM 0 H GLY A 66 6.026 -14.717 -7.094 1.00 45.11 H new ATOM 0 HA2 GLY A 66 4.693 -14.233 -8.857 1.00 24.02 H new ATOM 0 HA3 GLY A 66 4.704 -15.912 -9.359 1.00 24.02 H new ATOM 918 N GLU A 67 3.006 -15.492 -6.605 1.00 62.33 N ATOM 919 CA GLU A 67 1.697 -15.403 -5.979 1.00 5.54 C ATOM 920 C GLU A 67 1.333 -13.949 -5.934 1.00 5.32 C ATOM 921 O GLU A 67 2.144 -13.085 -5.612 1.00 53.34 O ATOM 922 CB GLU A 67 1.727 -15.963 -4.544 1.00 13.41 C ATOM 923 CG GLU A 67 1.578 -17.486 -4.472 1.00 62.21 C ATOM 924 CD GLU A 67 2.559 -18.108 -3.483 1.00 45.14 C ATOM 925 OE1 GLU A 67 2.470 -17.822 -2.272 1.00 73.40 O ATOM 926 OE2 GLU A 67 3.424 -18.901 -3.924 1.00 1.25 O ATOM 0 H GLU A 67 3.776 -15.601 -5.945 1.00 62.33 H new ATOM 0 HA GLU A 67 0.972 -15.986 -6.547 1.00 5.54 H new ATOM 0 HB2 GLU A 67 2.667 -15.676 -4.072 1.00 13.41 H new ATOM 0 HB3 GLU A 67 0.926 -15.501 -3.967 1.00 13.41 H new ATOM 0 HG2 GLU A 67 0.559 -17.737 -4.179 1.00 62.21 H new ATOM 0 HG3 GLU A 67 1.740 -17.914 -5.461 1.00 62.21 H new ATOM 931 N LYS A 68 0.104 -13.670 -6.312 1.00 14.53 N ATOM 932 CA LYS A 68 -0.397 -12.340 -6.411 1.00 61.43 C ATOM 933 C LYS A 68 -1.054 -11.968 -5.090 1.00 34.11 C ATOM 934 O LYS A 68 -1.439 -12.838 -4.306 1.00 65.32 O ATOM 935 CB LYS A 68 -1.304 -12.343 -7.633 1.00 65.34 C ATOM 936 CG LYS A 68 -2.734 -12.829 -7.385 1.00 23.45 C ATOM 937 CD LYS A 68 -3.589 -12.812 -8.650 1.00 25.22 C ATOM 938 CE LYS A 68 -3.889 -11.370 -9.062 1.00 32.15 C ATOM 939 NZ LYS A 68 -4.749 -11.311 -10.252 1.00 14.32 N ATOM 0 H LYS A 68 -0.579 -14.385 -6.562 1.00 14.53 H new ATOM 0 HA LYS A 68 0.358 -11.568 -6.561 1.00 61.43 H new ATOM 0 HB2 LYS A 68 -1.346 -11.331 -8.036 1.00 65.34 H new ATOM 0 HB3 LYS A 68 -0.852 -12.973 -8.399 1.00 65.34 H new ATOM 0 HG2 LYS A 68 -2.705 -13.842 -6.985 1.00 23.45 H new ATOM 0 HG3 LYS A 68 -3.201 -12.200 -6.627 1.00 23.45 H new ATOM 0 HD2 LYS A 68 -3.069 -13.328 -9.457 1.00 25.22 H new ATOM 0 HD3 LYS A 68 -4.521 -13.350 -8.476 1.00 25.22 H new ATOM 0 HE2 LYS A 68 -4.374 -10.849 -8.236 1.00 32.15 H new ATOM 0 HE3 LYS A 68 -2.954 -10.847 -9.263 1.00 32.15 H new ATOM 0 HZ1 LYS A 68 -4.930 -10.318 -10.500 1.00 14.32 H new ATOM 0 HZ2 LYS A 68 -4.275 -11.786 -11.047 1.00 14.32 H new ATOM 0 HZ3 LYS A 68 -5.651 -11.788 -10.052 1.00 14.32 H new ATOM 949 N PHE A 69 -1.204 -10.680 -4.855 1.00 12.54 N ATOM 950 CA PHE A 69 -1.935 -10.145 -3.729 1.00 12.53 C ATOM 951 C PHE A 69 -2.590 -8.841 -4.156 1.00 24.01 C ATOM 952 O PHE A 69 -1.928 -7.987 -4.755 1.00 61.12 O ATOM 953 CB PHE A 69 -0.988 -9.966 -2.539 1.00 70.13 C ATOM 954 CG PHE A 69 0.260 -9.126 -2.780 1.00 51.51 C ATOM 955 CD1 PHE A 69 1.461 -9.725 -3.211 1.00 25.45 C ATOM 956 CD2 PHE A 69 0.242 -7.749 -2.494 1.00 24.42 C ATOM 957 CE1 PHE A 69 2.631 -8.951 -3.325 1.00 64.32 C ATOM 958 CE2 PHE A 69 1.411 -6.979 -2.607 1.00 1.21 C ATOM 959 CZ PHE A 69 2.613 -7.578 -3.020 1.00 5.35 C ATOM 0 H PHE A 69 -0.809 -9.959 -5.459 1.00 12.54 H new ATOM 0 HA PHE A 69 -2.720 -10.829 -3.409 1.00 12.53 H new ATOM 0 HB2 PHE A 69 -1.550 -9.514 -1.722 1.00 70.13 H new ATOM 0 HB3 PHE A 69 -0.674 -10.954 -2.202 1.00 70.13 H new ATOM 0 HD1 PHE A 69 1.483 -10.777 -3.454 1.00 25.45 H new ATOM 0 HD2 PHE A 69 -0.680 -7.279 -2.184 1.00 24.42 H new ATOM 0 HE1 PHE A 69 3.551 -9.415 -3.649 1.00 64.32 H new ATOM 0 HE2 PHE A 69 1.386 -5.924 -2.376 1.00 1.21 H new ATOM 0 HZ PHE A 69 3.515 -6.990 -3.103 1.00 5.35 H new ATOM 968 N THR A 70 -3.872 -8.670 -3.848 1.00 63.03 N ATOM 969 CA THR A 70 -4.545 -7.387 -3.964 1.00 21.21 C ATOM 970 C THR A 70 -4.902 -6.861 -2.570 1.00 33.32 C ATOM 971 O THR A 70 -4.841 -7.578 -1.570 1.00 44.23 O ATOM 972 CB THR A 70 -5.733 -7.460 -4.951 1.00 25.23 C ATOM 973 OG1 THR A 70 -6.594 -8.577 -4.770 1.00 53.11 O ATOM 974 CG2 THR A 70 -5.251 -7.580 -6.398 1.00 33.15 C ATOM 0 H THR A 70 -4.473 -9.422 -3.510 1.00 63.03 H new ATOM 0 HA THR A 70 -3.871 -6.652 -4.404 1.00 21.21 H new ATOM 0 HB THR A 70 -6.274 -6.536 -4.747 1.00 25.23 H new ATOM 0 HG1 THR A 70 -7.316 -8.544 -5.432 1.00 53.11 H new ATOM 0 HG21 THR A 70 -6.112 -7.629 -7.065 1.00 33.15 H new ATOM 0 HG22 THR A 70 -4.644 -6.711 -6.652 1.00 33.15 H new ATOM 0 HG23 THR A 70 -4.654 -8.485 -6.509 1.00 33.15 H new ATOM 982 N GLY A 71 -5.234 -5.575 -2.480 1.00 23.25 N ATOM 983 CA GLY A 71 -5.651 -4.921 -1.248 1.00 54.21 C ATOM 984 C GLY A 71 -6.612 -3.805 -1.605 1.00 71.02 C ATOM 985 O GLY A 71 -6.151 -2.695 -1.858 1.00 33.42 O ATOM 0 H GLY A 71 -5.219 -4.946 -3.283 1.00 23.25 H new ATOM 0 HA2 GLY A 71 -6.131 -5.637 -0.581 1.00 54.21 H new ATOM 0 HA3 GLY A 71 -4.786 -4.522 -0.718 1.00 54.21 H new ATOM 989 N HIS A 72 -7.907 -4.105 -1.715 1.00 51.54 N ATOM 990 CA HIS A 72 -8.933 -3.139 -2.100 1.00 5.33 C ATOM 991 C HIS A 72 -9.537 -2.529 -0.830 1.00 11.24 C ATOM 992 O HIS A 72 -9.994 -3.256 0.062 1.00 32.42 O ATOM 993 CB HIS A 72 -9.999 -3.827 -2.968 1.00 51.14 C ATOM 994 CG HIS A 72 -9.473 -4.362 -4.280 1.00 73.05 C ATOM 995 ND1 HIS A 72 -9.356 -3.651 -5.458 1.00 72.42 N ATOM 996 CD2 HIS A 72 -9.025 -5.637 -4.516 1.00 43.31 C ATOM 997 CE1 HIS A 72 -8.842 -4.479 -6.383 1.00 21.33 C ATOM 998 NE2 HIS A 72 -8.609 -5.694 -5.853 1.00 65.40 N ATOM 0 H HIS A 72 -8.276 -5.039 -1.536 1.00 51.54 H new ATOM 0 HA HIS A 72 -8.498 -2.336 -2.696 1.00 5.33 H new ATOM 0 HB2 HIS A 72 -10.438 -4.649 -2.402 1.00 51.14 H new ATOM 0 HB3 HIS A 72 -10.800 -3.117 -3.172 1.00 51.14 H new ATOM 0 HD2 HIS A 72 -8.998 -6.448 -3.803 1.00 43.31 H new ATOM 0 HE1 HIS A 72 -8.643 -4.207 -7.409 1.00 21.33 H new ATOM 0 HE2 HIS A 72 -8.207 -6.500 -6.332 1.00 65.40 H new ATOM 1005 N PHE A 73 -9.517 -1.197 -0.731 1.00 73.44 N ATOM 1006 CA PHE A 73 -9.914 -0.415 0.436 1.00 54.25 C ATOM 1007 C PHE A 73 -10.732 0.805 0.017 1.00 65.05 C ATOM 1008 O PHE A 73 -10.507 1.378 -1.056 1.00 10.53 O ATOM 1009 CB PHE A 73 -8.662 0.068 1.180 1.00 73.21 C ATOM 1010 CG PHE A 73 -7.700 -1.036 1.566 1.00 73.44 C ATOM 1011 CD1 PHE A 73 -8.031 -1.904 2.619 1.00 45.54 C ATOM 1012 CD2 PHE A 73 -6.492 -1.213 0.865 1.00 13.54 C ATOM 1013 CE1 PHE A 73 -7.148 -2.938 2.972 1.00 64.13 C ATOM 1014 CE2 PHE A 73 -5.615 -2.254 1.217 1.00 53.55 C ATOM 1015 CZ PHE A 73 -5.948 -3.119 2.269 1.00 51.15 C ATOM 0 H PHE A 73 -9.207 -0.608 -1.504 1.00 73.44 H new ATOM 0 HA PHE A 73 -10.520 -1.049 1.082 1.00 54.25 H new ATOM 0 HB2 PHE A 73 -8.137 0.788 0.553 1.00 73.21 H new ATOM 0 HB3 PHE A 73 -8.971 0.596 2.082 1.00 73.21 H new ATOM 0 HD1 PHE A 73 -8.960 -1.777 3.155 1.00 45.54 H new ATOM 0 HD2 PHE A 73 -6.238 -0.547 0.054 1.00 13.54 H new ATOM 0 HE1 PHE A 73 -7.395 -3.598 3.790 1.00 64.13 H new ATOM 0 HE2 PHE A 73 -4.688 -2.387 0.679 1.00 53.55 H new ATOM 0 HZ PHE A 73 -5.281 -3.924 2.538 1.00 51.15 H new ATOM 1024 N LYS A 74 -11.610 1.270 0.911 1.00 42.35 N ATOM 1025 CA LYS A 74 -12.411 2.490 0.750 1.00 63.32 C ATOM 1026 C LYS A 74 -12.455 3.264 2.072 1.00 45.14 C ATOM 1027 O LYS A 74 -11.913 2.808 3.079 1.00 44.12 O ATOM 1028 CB LYS A 74 -13.849 2.161 0.294 1.00 23.11 C ATOM 1029 CG LYS A 74 -13.957 1.662 -1.155 1.00 24.31 C ATOM 1030 CD LYS A 74 -15.331 2.048 -1.724 1.00 10.14 C ATOM 1031 CE LYS A 74 -15.665 1.345 -3.039 1.00 21.23 C ATOM 1032 NZ LYS A 74 -16.285 0.030 -2.786 1.00 13.43 N ATOM 0 H LYS A 74 -11.789 0.794 1.795 1.00 42.35 H new ATOM 0 HA LYS A 74 -11.940 3.102 -0.019 1.00 63.32 H new ATOM 0 HB2 LYS A 74 -14.263 1.403 0.958 1.00 23.11 H new ATOM 0 HB3 LYS A 74 -14.465 3.053 0.405 1.00 23.11 H new ATOM 0 HG2 LYS A 74 -13.164 2.098 -1.762 1.00 24.31 H new ATOM 0 HG3 LYS A 74 -13.827 0.580 -1.190 1.00 24.31 H new ATOM 0 HD2 LYS A 74 -16.100 1.811 -0.989 1.00 10.14 H new ATOM 0 HD3 LYS A 74 -15.361 3.126 -1.880 1.00 10.14 H new ATOM 0 HE2 LYS A 74 -16.342 1.965 -3.626 1.00 21.23 H new ATOM 0 HE3 LYS A 74 -14.758 1.217 -3.629 1.00 21.23 H new ATOM 0 HZ1 LYS A 74 -16.504 -0.431 -3.692 1.00 13.43 H new ATOM 0 HZ2 LYS A 74 -15.626 -0.566 -2.245 1.00 13.43 H new ATOM 0 HZ3 LYS A 74 -17.162 0.159 -2.242 1.00 13.43 H new ATOM 1042 N GLY A 75 -13.089 4.438 2.022 1.00 24.04 N ATOM 1043 CA GLY A 75 -13.335 5.369 3.105 1.00 14.10 C ATOM 1044 C GLY A 75 -12.118 5.592 3.984 1.00 31.41 C ATOM 1045 O GLY A 75 -12.216 5.529 5.208 1.00 74.53 O ATOM 0 H GLY A 75 -13.473 4.783 1.142 1.00 24.04 H new ATOM 0 HA2 GLY A 75 -13.656 6.324 2.690 1.00 14.10 H new ATOM 0 HA3 GLY A 75 -14.156 4.996 3.718 1.00 14.10 H new ATOM 1049 N LEU A 76 -10.976 5.819 3.344 1.00 65.12 N ATOM 1050 CA LEU A 76 -9.737 6.169 4.013 1.00 34.44 C ATOM 1051 C LEU A 76 -9.829 7.619 4.498 1.00 62.53 C ATOM 1052 O LEU A 76 -10.528 8.436 3.891 1.00 34.50 O ATOM 1053 CB LEU A 76 -8.560 5.978 3.042 1.00 4.41 C ATOM 1054 CG LEU A 76 -8.343 4.529 2.568 1.00 3.01 C ATOM 1055 CD1 LEU A 76 -7.253 4.486 1.500 1.00 4.44 C ATOM 1056 CD2 LEU A 76 -7.921 3.578 3.689 1.00 14.21 C ATOM 0 H LEU A 76 -10.888 5.763 2.329 1.00 65.12 H new ATOM 0 HA LEU A 76 -9.572 5.523 4.875 1.00 34.44 H new ATOM 0 HB2 LEU A 76 -8.721 6.611 2.169 1.00 4.41 H new ATOM 0 HB3 LEU A 76 -7.648 6.328 3.525 1.00 4.41 H new ATOM 0 HG LEU A 76 -9.307 4.199 2.181 1.00 3.01 H new ATOM 0 HD11 LEU A 76 -7.106 3.457 1.171 1.00 4.44 H new ATOM 0 HD12 LEU A 76 -7.552 5.100 0.650 1.00 4.44 H new ATOM 0 HD13 LEU A 76 -6.321 4.870 1.915 1.00 4.44 H new ATOM 0 HD21 LEU A 76 -7.786 2.575 3.284 1.00 14.21 H new ATOM 0 HD22 LEU A 76 -6.983 3.923 4.125 1.00 14.21 H new ATOM 0 HD23 LEU A 76 -8.693 3.557 4.458 1.00 14.21 H new ATOM 1067 N VAL A 77 -9.065 7.953 5.538 1.00 5.10 N ATOM 1068 CA VAL A 77 -9.121 9.228 6.260 1.00 10.20 C ATOM 1069 C VAL A 77 -7.786 9.980 6.143 1.00 44.14 C ATOM 1070 O VAL A 77 -6.798 9.419 5.658 1.00 24.14 O ATOM 1071 CB VAL A 77 -9.517 8.957 7.732 1.00 34.41 C ATOM 1072 CG1 VAL A 77 -10.997 8.566 7.840 1.00 32.14 C ATOM 1073 CG2 VAL A 77 -8.656 7.865 8.395 1.00 51.31 C ATOM 0 H VAL A 77 -8.362 7.319 5.917 1.00 5.10 H new ATOM 0 HA VAL A 77 -9.878 9.874 5.815 1.00 10.20 H new ATOM 0 HB VAL A 77 -9.340 9.891 8.265 1.00 34.41 H new ATOM 0 HG11 VAL A 77 -11.249 8.381 8.884 1.00 32.14 H new ATOM 0 HG12 VAL A 77 -11.616 9.376 7.455 1.00 32.14 H new ATOM 0 HG13 VAL A 77 -11.178 7.663 7.258 1.00 32.14 H new ATOM 0 HG21 VAL A 77 -8.982 7.721 9.425 1.00 51.31 H new ATOM 0 HG22 VAL A 77 -8.767 6.930 7.845 1.00 51.31 H new ATOM 0 HG23 VAL A 77 -7.610 8.170 8.385 1.00 51.31 H new ATOM 1083 N GLY A 78 -7.741 11.240 6.588 1.00 52.31 N ATOM 1084 CA GLY A 78 -6.520 12.042 6.691 1.00 43.24 C ATOM 1085 C GLY A 78 -5.802 12.249 5.353 1.00 11.44 C ATOM 1086 O GLY A 78 -6.438 12.145 4.300 1.00 74.53 O ATOM 0 H GLY A 78 -8.575 11.742 6.894 1.00 52.31 H new ATOM 0 HA2 GLY A 78 -6.770 13.015 7.113 1.00 43.24 H new ATOM 0 HA3 GLY A 78 -5.836 11.558 7.389 1.00 43.24 H new ATOM 1090 N LYS A 79 -4.516 12.632 5.374 1.00 33.14 N ATOM 1091 CA LYS A 79 -3.714 13.019 4.196 1.00 55.03 C ATOM 1092 C LYS A 79 -2.410 12.210 4.059 1.00 0.34 C ATOM 1093 O LYS A 79 -1.496 12.617 3.339 1.00 55.11 O ATOM 1094 CB LYS A 79 -3.496 14.552 4.162 1.00 63.43 C ATOM 1095 CG LYS A 79 -3.371 15.080 2.713 1.00 71.21 C ATOM 1096 CD LYS A 79 -3.186 16.605 2.638 1.00 53.05 C ATOM 1097 CE LYS A 79 -1.727 17.010 2.894 1.00 40.04 C ATOM 1098 NZ LYS A 79 -1.564 18.465 3.076 1.00 13.11 N ATOM 0 H LYS A 79 -3.984 12.684 6.243 1.00 33.14 H new ATOM 0 HA LYS A 79 -4.288 12.757 3.307 1.00 55.03 H new ATOM 0 HB2 LYS A 79 -4.328 15.049 4.660 1.00 63.43 H new ATOM 0 HB3 LYS A 79 -2.594 14.804 4.720 1.00 63.43 H new ATOM 0 HG2 LYS A 79 -2.525 14.594 2.228 1.00 71.21 H new ATOM 0 HG3 LYS A 79 -4.264 14.801 2.153 1.00 71.21 H new ATOM 0 HD2 LYS A 79 -3.496 16.962 1.656 1.00 53.05 H new ATOM 0 HD3 LYS A 79 -3.832 17.087 3.371 1.00 53.05 H new ATOM 0 HE2 LYS A 79 -1.361 16.494 3.782 1.00 40.04 H new ATOM 0 HE3 LYS A 79 -1.111 16.681 2.057 1.00 40.04 H new ATOM 0 HZ1 LYS A 79 -0.561 18.684 3.245 1.00 13.11 H new ATOM 0 HZ2 LYS A 79 -1.886 18.960 2.220 1.00 13.11 H new ATOM 0 HZ3 LYS A 79 -2.129 18.778 3.891 1.00 13.11 H new ATOM 1108 N ASP A 80 -2.300 11.042 4.689 1.00 20.21 N ATOM 1109 CA ASP A 80 -1.259 10.059 4.363 1.00 4.34 C ATOM 1110 C ASP A 80 -1.808 8.635 4.312 1.00 4.20 C ATOM 1111 O ASP A 80 -3.000 8.425 4.542 1.00 62.45 O ATOM 1112 CB ASP A 80 -0.030 10.164 5.274 1.00 42.14 C ATOM 1113 CG ASP A 80 -0.204 9.682 6.718 1.00 53.11 C ATOM 1114 OD1 ASP A 80 -0.496 8.484 6.945 1.00 53.34 O ATOM 1115 OD2 ASP A 80 0.097 10.469 7.639 1.00 64.21 O ATOM 0 H ASP A 80 -2.926 10.747 5.438 1.00 20.21 H new ATOM 0 HA ASP A 80 -0.916 10.309 3.359 1.00 4.34 H new ATOM 0 HB2 ASP A 80 0.781 9.594 4.820 1.00 42.14 H new ATOM 0 HB3 ASP A 80 0.288 11.206 5.299 1.00 42.14 H new ATOM 1119 N THR A 81 -0.976 7.666 3.919 1.00 75.41 N ATOM 1120 CA THR A 81 -1.310 6.252 3.886 1.00 42.34 C ATOM 1121 C THR A 81 -0.058 5.412 4.185 1.00 21.41 C ATOM 1122 O THR A 81 1.052 5.764 3.780 1.00 32.24 O ATOM 1123 CB THR A 81 -1.886 5.870 2.500 1.00 13.04 C ATOM 1124 OG1 THR A 81 -2.499 6.943 1.809 1.00 75.51 O ATOM 1125 CG2 THR A 81 -2.949 4.789 2.657 1.00 11.24 C ATOM 0 H THR A 81 -0.024 7.857 3.607 1.00 75.41 H new ATOM 0 HA THR A 81 -2.065 6.050 4.646 1.00 42.34 H new ATOM 0 HB THR A 81 -1.025 5.535 1.921 1.00 13.04 H new ATOM 0 HG1 THR A 81 -2.836 6.626 0.945 1.00 75.51 H new ATOM 0 HG21 THR A 81 -3.349 4.527 1.677 1.00 11.24 H new ATOM 0 HG22 THR A 81 -2.505 3.906 3.116 1.00 11.24 H new ATOM 0 HG23 THR A 81 -3.755 5.160 3.290 1.00 11.24 H new ATOM 1133 N ARG A 82 -0.246 4.248 4.818 1.00 1.13 N ATOM 1134 CA ARG A 82 0.723 3.153 4.890 1.00 2.04 C ATOM 1135 C ARG A 82 0.084 1.897 4.323 1.00 40.01 C ATOM 1136 O ARG A 82 -1.108 1.909 4.022 1.00 75.32 O ATOM 1137 CB ARG A 82 1.167 2.908 6.344 1.00 21.34 C ATOM 1138 CG ARG A 82 1.741 4.152 7.024 1.00 4.20 C ATOM 1139 CD ARG A 82 2.312 3.838 8.416 1.00 63.31 C ATOM 1140 NE ARG A 82 1.428 4.232 9.532 1.00 52.24 N ATOM 1141 CZ ARG A 82 1.129 5.489 9.900 1.00 42.43 C ATOM 1142 NH1 ARG A 82 1.636 6.528 9.238 1.00 41.24 N ATOM 1143 NH2 ARG A 82 0.324 5.694 10.941 1.00 32.24 N ATOM 0 H ARG A 82 -1.112 4.037 5.313 1.00 1.13 H new ATOM 0 HA ARG A 82 1.607 3.418 4.309 1.00 2.04 H new ATOM 0 HB2 ARG A 82 0.314 2.549 6.920 1.00 21.34 H new ATOM 0 HB3 ARG A 82 1.917 2.117 6.358 1.00 21.34 H new ATOM 0 HG2 ARG A 82 2.526 4.577 6.398 1.00 4.20 H new ATOM 0 HG3 ARG A 82 0.961 4.908 7.115 1.00 4.20 H new ATOM 0 HD2 ARG A 82 2.510 2.768 8.483 1.00 63.31 H new ATOM 0 HD3 ARG A 82 3.269 4.347 8.528 1.00 63.31 H new ATOM 0 HE ARG A 82 1.005 3.479 10.074 1.00 52.24 H new ATOM 0 HH11 ARG A 82 2.257 6.373 8.444 1.00 41.24 H new ATOM 0 HH12 ARG A 82 1.403 7.479 9.525 1.00 41.24 H new ATOM 0 HH21 ARG A 82 -0.061 4.900 11.452 1.00 32.24 H new ATOM 0 HH22 ARG A 82 0.092 6.645 11.227 1.00 32.24 H new ATOM 1154 N VAL A 83 0.856 0.819 4.226 1.00 51.04 N ATOM 1155 CA VAL A 83 0.436 -0.494 3.768 1.00 22.35 C ATOM 1156 C VAL A 83 1.201 -1.488 4.624 1.00 61.21 C ATOM 1157 O VAL A 83 2.434 -1.444 4.640 1.00 31.25 O ATOM 1158 CB VAL A 83 0.767 -0.681 2.279 1.00 61.52 C ATOM 1159 CG1 VAL A 83 0.079 -1.939 1.731 1.00 44.33 C ATOM 1160 CG2 VAL A 83 0.355 0.524 1.425 1.00 31.35 C ATOM 0 H VAL A 83 1.844 0.843 4.479 1.00 51.04 H new ATOM 0 HA VAL A 83 -0.641 -0.630 3.864 1.00 22.35 H new ATOM 0 HB VAL A 83 1.850 -0.783 2.215 1.00 61.52 H new ATOM 0 HG11 VAL A 83 0.324 -2.057 0.675 1.00 44.33 H new ATOM 0 HG12 VAL A 83 0.425 -2.813 2.283 1.00 44.33 H new ATOM 0 HG13 VAL A 83 -1.001 -1.842 1.845 1.00 44.33 H new ATOM 0 HG21 VAL A 83 0.613 0.336 0.383 1.00 31.35 H new ATOM 0 HG22 VAL A 83 -0.720 0.680 1.510 1.00 31.35 H new ATOM 0 HG23 VAL A 83 0.879 1.414 1.774 1.00 31.35 H new ATOM 1170 N PHE A 84 0.483 -2.344 5.345 1.00 40.41 N ATOM 1171 CA PHE A 84 1.080 -3.445 6.084 1.00 55.41 C ATOM 1172 C PHE A 84 0.841 -4.707 5.255 1.00 4.33 C ATOM 1173 O PHE A 84 -0.253 -5.263 5.262 1.00 23.43 O ATOM 1174 CB PHE A 84 0.490 -3.505 7.506 1.00 44.41 C ATOM 1175 CG PHE A 84 0.739 -2.302 8.416 1.00 35.32 C ATOM 1176 CD1 PHE A 84 1.810 -1.418 8.184 1.00 64.40 C ATOM 1177 CD2 PHE A 84 -0.082 -2.081 9.541 1.00 55.04 C ATOM 1178 CE1 PHE A 84 2.042 -0.322 9.031 1.00 20.42 C ATOM 1179 CE2 PHE A 84 0.162 -0.999 10.404 1.00 4.23 C ATOM 1180 CZ PHE A 84 1.217 -0.109 10.146 1.00 11.32 C ATOM 0 H PHE A 84 -0.532 -2.291 5.432 1.00 40.41 H new ATOM 0 HA PHE A 84 2.154 -3.324 6.228 1.00 55.41 H new ATOM 0 HB2 PHE A 84 -0.587 -3.646 7.419 1.00 44.41 H new ATOM 0 HB3 PHE A 84 0.889 -4.391 8.000 1.00 44.41 H new ATOM 0 HD1 PHE A 84 2.464 -1.585 7.341 1.00 64.40 H new ATOM 0 HD2 PHE A 84 -0.906 -2.750 9.741 1.00 55.04 H new ATOM 0 HE1 PHE A 84 2.856 0.357 8.824 1.00 20.42 H new ATOM 0 HE2 PHE A 84 -0.465 -0.851 11.271 1.00 4.23 H new ATOM 0 HZ PHE A 84 1.392 0.732 10.800 1.00 11.32 H new ATOM 1189 N ILE A 85 1.832 -5.099 4.458 1.00 55.31 N ATOM 1190 CA ILE A 85 1.871 -6.399 3.798 1.00 52.03 C ATOM 1191 C ILE A 85 2.246 -7.374 4.912 1.00 22.42 C ATOM 1192 O ILE A 85 3.312 -7.213 5.509 1.00 4.04 O ATOM 1193 CB ILE A 85 2.897 -6.406 2.637 1.00 54.03 C ATOM 1194 CG1 ILE A 85 2.557 -5.329 1.576 1.00 35.21 C ATOM 1195 CG2 ILE A 85 3.010 -7.804 1.992 1.00 61.42 C ATOM 1196 CD1 ILE A 85 3.666 -5.129 0.532 1.00 2.21 C ATOM 0 H ILE A 85 2.641 -4.514 4.250 1.00 55.31 H new ATOM 0 HA ILE A 85 0.923 -6.666 3.332 1.00 52.03 H new ATOM 0 HB ILE A 85 3.870 -6.158 3.062 1.00 54.03 H new ATOM 0 HG12 ILE A 85 1.635 -5.610 1.067 1.00 35.21 H new ATOM 0 HG13 ILE A 85 2.367 -4.381 2.079 1.00 35.21 H new ATOM 0 HG21 ILE A 85 3.738 -7.773 1.181 1.00 61.42 H new ATOM 0 HG22 ILE A 85 3.333 -8.526 2.742 1.00 61.42 H new ATOM 0 HG23 ILE A 85 2.039 -8.102 1.596 1.00 61.42 H new ATOM 0 HD11 ILE A 85 3.362 -4.361 -0.180 1.00 2.21 H new ATOM 0 HD12 ILE A 85 4.584 -4.818 1.031 1.00 2.21 H new ATOM 0 HD13 ILE A 85 3.841 -6.066 0.003 1.00 2.21 H new ATOM 1207 N GLU A 86 1.375 -8.338 5.200 1.00 15.44 N ATOM 1208 CA GLU A 86 1.523 -9.364 6.227 1.00 21.25 C ATOM 1209 C GLU A 86 0.756 -10.621 5.766 1.00 15.45 C ATOM 1210 O GLU A 86 0.085 -10.593 4.728 1.00 52.34 O ATOM 1211 CB GLU A 86 1.034 -8.808 7.581 1.00 32.33 C ATOM 1212 CG GLU A 86 -0.399 -8.244 7.576 1.00 22.31 C ATOM 1213 CD GLU A 86 -0.763 -7.634 8.940 1.00 60.20 C ATOM 1214 OE1 GLU A 86 -0.462 -6.449 9.196 1.00 51.10 O ATOM 1215 OE2 GLU A 86 -1.391 -8.333 9.771 1.00 2.13 O ATOM 0 H GLU A 86 0.495 -8.428 4.692 1.00 15.44 H new ATOM 0 HA GLU A 86 2.566 -9.647 6.370 1.00 21.25 H new ATOM 0 HB2 GLU A 86 1.093 -9.602 8.325 1.00 32.33 H new ATOM 0 HB3 GLU A 86 1.717 -8.021 7.901 1.00 32.33 H new ATOM 0 HG2 GLU A 86 -0.491 -7.485 6.799 1.00 22.31 H new ATOM 0 HG3 GLU A 86 -1.104 -9.038 7.330 1.00 22.31 H new ATOM 1220 N LEU A 87 0.878 -11.732 6.495 1.00 0.31 N ATOM 1221 CA LEU A 87 0.208 -12.997 6.196 1.00 31.15 C ATOM 1222 C LEU A 87 -0.793 -13.304 7.301 1.00 74.54 C ATOM 1223 O LEU A 87 -0.588 -12.917 8.457 1.00 4.22 O ATOM 1224 CB LEU A 87 1.191 -14.184 6.105 1.00 43.42 C ATOM 1225 CG LEU A 87 2.454 -13.976 5.254 1.00 35.24 C ATOM 1226 CD1 LEU A 87 3.373 -15.196 5.366 1.00 4.11 C ATOM 1227 CD2 LEU A 87 2.127 -13.735 3.780 1.00 33.13 C ATOM 0 H LEU A 87 1.461 -11.777 7.331 1.00 0.31 H new ATOM 0 HA LEU A 87 -0.278 -12.880 5.227 1.00 31.15 H new ATOM 0 HB2 LEU A 87 1.502 -14.445 7.116 1.00 43.42 H new ATOM 0 HB3 LEU A 87 0.651 -15.042 5.706 1.00 43.42 H new ATOM 0 HG LEU A 87 2.954 -13.088 5.641 1.00 35.24 H new ATOM 0 HD11 LEU A 87 4.264 -15.037 4.759 1.00 4.11 H new ATOM 0 HD12 LEU A 87 3.664 -15.338 6.407 1.00 4.11 H new ATOM 0 HD13 LEU A 87 2.846 -16.082 5.012 1.00 4.11 H new ATOM 0 HD21 LEU A 87 3.052 -13.594 3.221 1.00 33.13 H new ATOM 0 HD22 LEU A 87 1.589 -14.595 3.381 1.00 33.13 H new ATOM 0 HD23 LEU A 87 1.506 -12.844 3.686 1.00 33.13 H new ATOM 1238 N ASP A 88 -1.814 -14.097 6.979 1.00 24.34 N ATOM 1239 CA ASP A 88 -2.802 -14.611 7.924 1.00 62.34 C ATOM 1240 C ASP A 88 -3.477 -15.860 7.325 1.00 12.35 C ATOM 1241 O ASP A 88 -3.048 -16.333 6.266 1.00 21.03 O ATOM 1242 CB ASP A 88 -3.819 -13.510 8.276 1.00 11.35 C ATOM 1243 CG ASP A 88 -4.379 -13.780 9.672 1.00 72.31 C ATOM 1244 OD1 ASP A 88 -3.717 -13.419 10.669 1.00 21.22 O ATOM 1245 OD2 ASP A 88 -5.466 -14.388 9.776 1.00 11.42 O ATOM 0 H ASP A 88 -1.981 -14.409 6.022 1.00 24.34 H new ATOM 0 HA ASP A 88 -2.316 -14.906 8.854 1.00 62.34 H new ATOM 0 HB2 ASP A 88 -3.340 -12.531 8.245 1.00 11.35 H new ATOM 0 HB3 ASP A 88 -4.626 -13.494 7.543 1.00 11.35 H new ATOM 1249 N GLU A 89 -4.532 -16.377 7.964 1.00 73.02 N ATOM 1250 CA GLU A 89 -5.431 -17.467 7.569 1.00 11.45 C ATOM 1251 C GLU A 89 -4.733 -18.827 7.477 1.00 44.24 C ATOM 1252 O GLU A 89 -5.097 -19.762 8.192 1.00 41.30 O ATOM 1253 CB GLU A 89 -6.190 -17.126 6.269 1.00 2.23 C ATOM 1254 CG GLU A 89 -7.089 -15.886 6.398 1.00 64.23 C ATOM 1255 CD GLU A 89 -8.317 -16.139 7.279 1.00 2.11 C ATOM 1256 OE1 GLU A 89 -8.232 -15.984 8.515 1.00 45.34 O ATOM 1257 OE2 GLU A 89 -9.381 -16.543 6.755 1.00 63.34 O ATOM 0 H GLU A 89 -4.807 -16.000 8.871 1.00 73.02 H new ATOM 0 HA GLU A 89 -6.162 -17.563 8.372 1.00 11.45 H new ATOM 0 HB2 GLU A 89 -5.469 -16.962 5.468 1.00 2.23 H new ATOM 0 HB3 GLU A 89 -6.801 -17.981 5.978 1.00 2.23 H new ATOM 0 HG2 GLU A 89 -6.509 -15.063 6.816 1.00 64.23 H new ATOM 0 HG3 GLU A 89 -7.416 -15.574 5.406 1.00 64.23 H new ATOM 1262 N ASN A 90 -3.770 -18.972 6.570 1.00 42.22 N ATOM 1263 CA ASN A 90 -3.005 -20.187 6.296 1.00 22.12 C ATOM 1264 C ASN A 90 -1.587 -19.786 5.869 1.00 4.12 C ATOM 1265 O ASN A 90 -1.010 -20.426 4.992 1.00 5.41 O ATOM 1266 CB ASN A 90 -3.685 -21.059 5.217 1.00 10.22 C ATOM 1267 CG ASN A 90 -5.088 -21.499 5.597 1.00 13.44 C ATOM 1268 OD1 ASN A 90 -5.288 -22.398 6.406 1.00 32.13 O ATOM 1269 ND2 ASN A 90 -6.102 -20.832 5.081 1.00 32.02 N ATOM 0 H ASN A 90 -3.485 -18.198 5.970 1.00 42.22 H new ATOM 0 HA ASN A 90 -2.960 -20.793 7.201 1.00 22.12 H new ATOM 0 HB2 ASN A 90 -3.728 -20.500 4.282 1.00 10.22 H new ATOM 0 HB3 ASN A 90 -3.072 -21.941 5.033 1.00 10.22 H new ATOM 0 HD21 ASN A 90 -7.057 -21.063 5.355 1.00 32.02 H new ATOM 0 HD22 ASN A 90 -5.931 -20.085 4.408 1.00 32.02 H new ATOM 1275 N ALA A 91 -1.043 -18.702 6.440 1.00 32.01 N ATOM 1276 CA ALA A 91 0.125 -17.965 5.959 1.00 71.12 C ATOM 1277 C ALA A 91 -0.026 -17.554 4.484 1.00 41.53 C ATOM 1278 O ALA A 91 0.944 -17.546 3.720 1.00 4.53 O ATOM 1279 CB ALA A 91 1.407 -18.745 6.270 1.00 13.24 C ATOM 0 H ALA A 91 -1.429 -18.298 7.294 1.00 32.01 H new ATOM 0 HA ALA A 91 0.201 -17.021 6.499 1.00 71.12 H new ATOM 0 HB1 ALA A 91 2.270 -18.186 5.907 1.00 13.24 H new ATOM 0 HB2 ALA A 91 1.494 -18.888 7.347 1.00 13.24 H new ATOM 0 HB3 ALA A 91 1.370 -19.717 5.777 1.00 13.24 H new ATOM 1285 N ASP A 92 -1.250 -17.219 4.079 1.00 13.34 N ATOM 1286 CA ASP A 92 -1.556 -16.730 2.735 1.00 21.02 C ATOM 1287 C ASP A 92 -1.254 -15.252 2.670 1.00 12.15 C ATOM 1288 O ASP A 92 -1.133 -14.591 3.711 1.00 50.33 O ATOM 1289 CB ASP A 92 -3.048 -16.867 2.418 1.00 11.41 C ATOM 1290 CG ASP A 92 -3.304 -17.313 0.978 1.00 23.01 C ATOM 1291 OD1 ASP A 92 -2.705 -16.764 0.027 1.00 13.55 O ATOM 1292 OD2 ASP A 92 -4.128 -18.236 0.787 1.00 23.03 O ATOM 0 H ASP A 92 -2.069 -17.280 4.684 1.00 13.34 H new ATOM 0 HA ASP A 92 -0.962 -17.314 2.032 1.00 21.02 H new ATOM 0 HB2 ASP A 92 -3.497 -17.587 3.103 1.00 11.41 H new ATOM 0 HB3 ASP A 92 -3.542 -15.911 2.592 1.00 11.41 H new ATOM 1296 N VAL A 93 -1.259 -14.719 1.450 1.00 21.34 N ATOM 1297 CA VAL A 93 -0.959 -13.309 1.283 1.00 45.43 C ATOM 1298 C VAL A 93 -2.240 -12.473 1.295 1.00 62.31 C ATOM 1299 O VAL A 93 -3.108 -12.625 0.434 1.00 70.24 O ATOM 1300 CB VAL A 93 -0.063 -13.037 0.058 1.00 24.02 C ATOM 1301 CG1 VAL A 93 0.520 -11.621 0.177 1.00 25.33 C ATOM 1302 CG2 VAL A 93 1.105 -14.032 -0.028 1.00 30.34 C ATOM 0 H VAL A 93 -1.462 -15.228 0.590 1.00 21.34 H new ATOM 0 HA VAL A 93 -0.367 -12.991 2.141 1.00 45.43 H new ATOM 0 HB VAL A 93 -0.676 -13.145 -0.837 1.00 24.02 H new ATOM 0 HG11 VAL A 93 1.156 -11.416 -0.684 1.00 25.33 H new ATOM 0 HG12 VAL A 93 -0.292 -10.895 0.209 1.00 25.33 H new ATOM 0 HG13 VAL A 93 1.110 -11.546 1.090 1.00 25.33 H new ATOM 0 HG21 VAL A 93 1.712 -13.806 -0.905 1.00 30.34 H new ATOM 0 HG22 VAL A 93 1.719 -13.951 0.869 1.00 30.34 H new ATOM 0 HG23 VAL A 93 0.714 -15.046 -0.109 1.00 30.34 H new ATOM 1312 N GLN A 94 -2.324 -11.550 2.251 1.00 21.44 N ATOM 1313 CA GLN A 94 -3.327 -10.493 2.302 1.00 11.51 C ATOM 1314 C GLN A 94 -2.623 -9.143 2.457 1.00 54.50 C ATOM 1315 O GLN A 94 -1.393 -9.080 2.504 1.00 31.21 O ATOM 1316 CB GLN A 94 -4.405 -10.779 3.369 1.00 52.30 C ATOM 1317 CG GLN A 94 -3.969 -11.496 4.663 1.00 3.15 C ATOM 1318 CD GLN A 94 -4.563 -12.905 4.732 1.00 54.31 C ATOM 1319 OE1 GLN A 94 -5.760 -13.075 4.958 1.00 54.24 O ATOM 1320 NE2 GLN A 94 -3.775 -13.944 4.516 1.00 32.14 N ATOM 0 H GLN A 94 -1.674 -11.518 3.036 1.00 21.44 H new ATOM 0 HA GLN A 94 -3.883 -10.458 1.365 1.00 11.51 H new ATOM 0 HB2 GLN A 94 -4.857 -9.828 3.650 1.00 52.30 H new ATOM 0 HB3 GLN A 94 -5.187 -11.378 2.902 1.00 52.30 H new ATOM 0 HG2 GLN A 94 -2.881 -11.553 4.703 1.00 3.15 H new ATOM 0 HG3 GLN A 94 -4.290 -10.918 5.530 1.00 3.15 H new ATOM 0 HE21 GLN A 94 -2.783 -13.801 4.329 1.00 32.14 H new ATOM 0 HE22 GLN A 94 -4.159 -14.889 4.537 1.00 32.14 H new ATOM 1327 N VAL A 95 -3.382 -8.051 2.463 1.00 45.10 N ATOM 1328 CA VAL A 95 -2.887 -6.703 2.650 1.00 33.32 C ATOM 1329 C VAL A 95 -3.699 -6.135 3.806 1.00 52.33 C ATOM 1330 O VAL A 95 -4.931 -6.219 3.823 1.00 3.13 O ATOM 1331 CB VAL A 95 -3.065 -5.869 1.364 1.00 33.05 C ATOM 1332 CG1 VAL A 95 -2.518 -4.444 1.548 1.00 11.53 C ATOM 1333 CG2 VAL A 95 -2.343 -6.456 0.144 1.00 73.14 C ATOM 0 H VAL A 95 -4.393 -8.088 2.333 1.00 45.10 H new ATOM 0 HA VAL A 95 -1.819 -6.684 2.869 1.00 33.32 H new ATOM 0 HB VAL A 95 -4.140 -5.873 1.184 1.00 33.05 H new ATOM 0 HG11 VAL A 95 -2.657 -3.879 0.626 1.00 11.53 H new ATOM 0 HG12 VAL A 95 -3.053 -3.951 2.360 1.00 11.53 H new ATOM 0 HG13 VAL A 95 -1.456 -4.490 1.789 1.00 11.53 H new ATOM 0 HG21 VAL A 95 -2.513 -5.816 -0.722 1.00 73.14 H new ATOM 0 HG22 VAL A 95 -1.274 -6.514 0.347 1.00 73.14 H new ATOM 0 HG23 VAL A 95 -2.728 -7.455 -0.061 1.00 73.14 H new ATOM 1343 N PHE A 96 -3.006 -5.507 4.743 1.00 12.23 N ATOM 1344 CA PHE A 96 -3.583 -4.822 5.874 1.00 62.22 C ATOM 1345 C PHE A 96 -3.170 -3.357 5.834 1.00 53.32 C ATOM 1346 O PHE A 96 -2.278 -2.947 5.078 1.00 71.42 O ATOM 1347 CB PHE A 96 -3.128 -5.539 7.149 1.00 20.24 C ATOM 1348 CG PHE A 96 -3.991 -5.194 8.345 1.00 2.32 C ATOM 1349 CD1 PHE A 96 -5.280 -5.746 8.449 1.00 31.11 C ATOM 1350 CD2 PHE A 96 -3.551 -4.269 9.308 1.00 44.35 C ATOM 1351 CE1 PHE A 96 -6.132 -5.355 9.497 1.00 43.35 C ATOM 1352 CE2 PHE A 96 -4.396 -3.886 10.364 1.00 4.14 C ATOM 1353 CZ PHE A 96 -5.692 -4.423 10.451 1.00 1.31 C ATOM 0 H PHE A 96 -1.987 -5.463 4.730 1.00 12.23 H new ATOM 0 HA PHE A 96 -4.673 -4.844 5.849 1.00 62.22 H new ATOM 0 HB2 PHE A 96 -3.153 -6.616 6.985 1.00 20.24 H new ATOM 0 HB3 PHE A 96 -2.093 -5.273 7.363 1.00 20.24 H new ATOM 0 HD1 PHE A 96 -5.616 -6.471 7.723 1.00 31.11 H new ATOM 0 HD2 PHE A 96 -2.558 -3.850 9.236 1.00 44.35 H new ATOM 0 HE1 PHE A 96 -7.126 -5.772 9.568 1.00 43.35 H new ATOM 0 HE2 PHE A 96 -4.051 -3.181 11.106 1.00 4.14 H new ATOM 0 HZ PHE A 96 -6.350 -4.119 11.252 1.00 1.31 H new ATOM 1362 N ILE A 97 -3.811 -2.536 6.660 1.00 24.12 N ATOM 1363 CA ILE A 97 -3.475 -1.133 6.815 1.00 14.30 C ATOM 1364 C ILE A 97 -3.781 -0.694 8.239 1.00 64.21 C ATOM 1365 O ILE A 97 -4.767 -1.153 8.812 1.00 15.31 O ATOM 1366 CB ILE A 97 -4.241 -0.243 5.803 1.00 34.43 C ATOM 1367 CG1 ILE A 97 -5.677 -0.710 5.483 1.00 63.13 C ATOM 1368 CG2 ILE A 97 -3.448 -0.113 4.501 1.00 43.25 C ATOM 1369 CD1 ILE A 97 -6.406 0.307 4.600 1.00 41.44 C ATOM 0 H ILE A 97 -4.589 -2.835 7.247 1.00 24.12 H new ATOM 0 HA ILE A 97 -2.411 -1.013 6.612 1.00 14.30 H new ATOM 0 HB ILE A 97 -4.341 0.723 6.298 1.00 34.43 H new ATOM 0 HG12 ILE A 97 -5.644 -1.676 4.979 1.00 63.13 H new ATOM 0 HG13 ILE A 97 -6.231 -0.853 6.411 1.00 63.13 H new ATOM 0 HG21 ILE A 97 -3.999 0.515 3.801 1.00 43.25 H new ATOM 0 HG22 ILE A 97 -2.479 0.340 4.709 1.00 43.25 H new ATOM 0 HG23 ILE A 97 -3.301 -1.101 4.064 1.00 43.25 H new ATOM 0 HD11 ILE A 97 -7.415 -0.049 4.391 1.00 41.44 H new ATOM 0 HD12 ILE A 97 -6.459 1.265 5.117 1.00 41.44 H new ATOM 0 HD13 ILE A 97 -5.864 0.430 3.663 1.00 41.44 H new ATOM 1380 N PRO A 98 -2.987 0.234 8.799 1.00 52.22 N ATOM 1381 CA PRO A 98 -3.361 0.890 10.038 1.00 55.31 C ATOM 1382 C PRO A 98 -4.649 1.690 9.800 1.00 52.31 C ATOM 1383 O PRO A 98 -4.684 2.578 8.945 1.00 60.31 O ATOM 1384 CB PRO A 98 -2.167 1.765 10.430 1.00 53.32 C ATOM 1385 CG PRO A 98 -1.451 2.030 9.103 1.00 40.01 C ATOM 1386 CD PRO A 98 -1.771 0.812 8.232 1.00 43.34 C ATOM 0 HA PRO A 98 -3.575 0.198 10.852 1.00 55.31 H new ATOM 0 HB2 PRO A 98 -2.490 2.693 10.902 1.00 53.32 H new ATOM 0 HB3 PRO A 98 -1.515 1.256 11.141 1.00 53.32 H new ATOM 0 HG2 PRO A 98 -1.806 2.951 8.640 1.00 40.01 H new ATOM 0 HG3 PRO A 98 -0.376 2.140 9.249 1.00 40.01 H new ATOM 0 HD2 PRO A 98 -1.922 1.102 7.192 1.00 43.34 H new ATOM 0 HD3 PRO A 98 -0.952 0.093 8.246 1.00 43.34 H new ATOM 1391 N GLN A 99 -5.721 1.353 10.515 1.00 63.54 N ATOM 1392 CA GLN A 99 -7.038 1.981 10.428 1.00 72.41 C ATOM 1393 C GLN A 99 -7.606 2.160 11.845 1.00 60.13 C ATOM 1394 O GLN A 99 -6.957 1.818 12.840 1.00 72.24 O ATOM 1395 CB GLN A 99 -7.968 1.106 9.560 1.00 0.03 C ATOM 1396 CG GLN A 99 -7.605 1.054 8.069 1.00 23.31 C ATOM 1397 CD GLN A 99 -7.887 2.361 7.337 1.00 33.34 C ATOM 1398 OE1 GLN A 99 -8.977 2.574 6.814 1.00 10.23 O ATOM 1399 NE2 GLN A 99 -6.916 3.258 7.278 1.00 74.25 N ATOM 0 H GLN A 99 -5.694 0.600 11.202 1.00 63.54 H new ATOM 0 HA GLN A 99 -6.959 2.962 9.960 1.00 72.41 H new ATOM 0 HB2 GLN A 99 -7.960 0.090 9.956 1.00 0.03 H new ATOM 0 HB3 GLN A 99 -8.988 1.478 9.657 1.00 0.03 H new ATOM 0 HG2 GLN A 99 -6.548 0.809 7.967 1.00 23.31 H new ATOM 0 HG3 GLN A 99 -8.166 0.250 7.593 1.00 23.31 H new ATOM 0 HE21 GLN A 99 -6.016 3.065 7.718 1.00 74.25 H new ATOM 0 HE22 GLN A 99 -7.067 4.142 6.793 1.00 74.25 H new