USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1242 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 79 SER OG : rot -138:sc= 1.22 USER MOD Set 1.2: A 105 SER OG : rot -153:sc= 2.25 USER MOD Set 2.1: A 62 TYR OH : rot 43:sc= 0.936 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.824 K(o=1.8,f=-0.37) USER MOD Set 2.3: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 47 CYS SG : rot -156:sc= 0.451 USER MOD Set 3.2: A 51 CYS SG : rot 115:sc= 0.836 USER MOD Set 4.1: A 7 TYR OH : rot -149:sc= 0.679 USER MOD Set 4.2: A 157 LYS NZ :NH3+ -157:sc= 1.25 (180deg=-1.12) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.6) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0.977 (180deg=0.977) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 31 SER OG : rot -121:sc= 1.26 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 2.45 (180deg=2.27) USER MOD Single : A 45 THR OG1 : rot -130:sc= 1.06 USER MOD Single : A 53 THR OG1 : rot 175:sc= 1.3 USER MOD Single : A 54 THR OG1 : rot 28:sc= 1.19 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0.808 (180deg=0.272) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 1.15 (180deg=1.03) USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 1.04 (180deg=1.02) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 1.83 (180deg=1.28) USER MOD Single : A 98 HIS : no HE2:sc= -0.0575 K(o=-0.057,f=-5.3!) USER MOD Single : A 107 SER OG : rot -83:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= 0.148 K(o=0.15,f=-5.8!) USER MOD Single : A 117 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.89 K(o=0.89,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 166:sc= 2.42 (180deg=2.06) USER MOD Single : A 137 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.18) USER MOD Single : A 138 THR OG1 : rot -127:sc= 0.468 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -144:sc= 0.709! (180deg=-0.162) USER MOD Single : A 153 TYR OH : rot 42:sc= 0.619 USER MOD Single : A 154 SER OG : rot 180:sc= 0.0521 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.793 4.376 4.509 1.00 1.32 N ATOM 90 CA TYR A 7 15.911 2.920 4.324 1.00 1.32 C ATOM 91 C TYR A 7 15.073 2.399 3.145 1.00 3.67 C ATOM 92 O TYR A 7 15.177 1.219 2.810 1.00 3.91 O ATOM 93 CB TYR A 7 15.516 2.225 5.635 1.00 1.63 C ATOM 94 CG TYR A 7 15.716 0.717 5.748 1.00 2.65 C ATOM 95 CD1 TYR A 7 16.893 0.086 5.289 1.00 3.98 C ATOM 96 CD2 TYR A 7 14.723 -0.060 6.376 1.00 2.42 C ATOM 97 CE1 TYR A 7 17.056 -1.309 5.428 1.00 3.10 C ATOM 98 CE2 TYR A 7 14.897 -1.444 6.560 1.00 2.33 C ATOM 99 CZ TYR A 7 16.051 -2.078 6.059 1.00 3.29 C ATOM 100 OH TYR A 7 16.168 -3.432 6.140 1.00 3.80 O ATOM 0 HA TYR A 7 16.946 2.688 4.075 1.00 1.32 H new ATOM 0 HB2 TYR A 7 16.078 2.695 6.442 1.00 1.63 H new ATOM 0 HB3 TYR A 7 14.462 2.434 5.817 1.00 1.63 H new ATOM 0 HD1 TYR A 7 17.673 0.674 4.829 1.00 3.98 H new ATOM 0 HD2 TYR A 7 13.816 0.413 6.721 1.00 2.42 H new ATOM 0 HE1 TYR A 7 17.948 -1.789 5.053 1.00 3.10 H new ATOM 0 HE2 TYR A 7 14.148 -2.019 7.084 1.00 2.33 H new ATOM 0 HH TYR A 7 15.276 -3.838 6.134 1.00 3.80 H new ATOM 110 N GLY A 8 14.253 3.240 2.504 1.00 0.93 N ATOM 111 CA GLY A 8 13.564 2.892 1.258 1.00 0.83 C ATOM 112 C GLY A 8 14.408 3.207 0.023 1.00 2.20 C ATOM 113 O GLY A 8 15.419 3.911 0.101 1.00 3.05 O ATOM 0 H GLY A 8 14.049 4.183 2.836 1.00 0.93 H new ATOM 0 HA2 GLY A 8 13.317 1.830 1.266 1.00 0.83 H new ATOM 0 HA3 GLY A 8 12.622 3.438 1.201 1.00 0.83 H new ATOM 117 N THR A 9 13.986 2.706 -1.143 1.00 0.81 N ATOM 118 CA THR A 9 14.657 3.007 -2.417 1.00 0.85 C ATOM 119 C THR A 9 14.145 4.351 -2.904 1.00 3.34 C ATOM 120 O THR A 9 13.133 4.456 -3.604 1.00 4.41 O ATOM 121 CB THR A 9 14.461 1.921 -3.465 1.00 0.97 C ATOM 122 OG1 THR A 9 14.762 0.666 -2.912 1.00 2.92 O ATOM 123 CG2 THR A 9 15.366 2.121 -4.678 1.00 1.08 C ATOM 0 H THR A 9 13.180 2.088 -1.233 1.00 0.81 H new ATOM 0 HA THR A 9 15.733 3.046 -2.250 1.00 0.85 H new ATOM 0 HB THR A 9 13.420 1.976 -3.785 1.00 0.97 H new ATOM 0 HG1 THR A 9 14.633 -0.030 -3.590 1.00 2.92 H new ATOM 0 HG21 THR A 9 15.191 1.322 -5.398 1.00 1.08 H new ATOM 0 HG22 THR A 9 15.146 3.083 -5.142 1.00 1.08 H new ATOM 0 HG23 THR A 9 16.409 2.101 -4.361 1.00 1.08 H new ATOM 131 N ARG A 10 14.827 5.393 -2.440 1.00 0.86 N ATOM 132 CA ARG A 10 14.467 6.785 -2.698 1.00 0.88 C ATOM 133 C ARG A 10 14.704 7.156 -4.159 1.00 7.06 C ATOM 134 O ARG A 10 15.780 6.948 -4.711 1.00 7.91 O ATOM 135 CB ARG A 10 15.188 7.726 -1.720 1.00 1.01 C ATOM 136 CG ARG A 10 14.969 9.205 -2.083 1.00 2.85 C ATOM 137 CD ARG A 10 15.262 10.129 -0.895 1.00 3.85 C ATOM 138 NE ARG A 10 15.563 11.538 -1.253 1.00 5.98 N ATOM 139 CZ ARG A 10 14.884 12.376 -2.039 1.00 4.76 C ATOM 140 NH1 ARG A 10 13.956 11.979 -2.882 1.00 3.07 N ATOM 141 NH2 ARG A 10 15.129 13.671 -1.991 1.00 4.34 N ATOM 0 H ARG A 10 15.662 5.293 -1.863 1.00 0.86 H new ATOM 0 HA ARG A 10 13.398 6.905 -2.521 1.00 0.88 H new ATOM 0 HB2 ARG A 10 14.828 7.543 -0.708 1.00 1.01 H new ATOM 0 HB3 ARG A 10 16.255 7.505 -1.723 1.00 1.01 H new ATOM 0 HG2 ARG A 10 15.613 9.474 -2.921 1.00 2.85 H new ATOM 0 HG3 ARG A 10 13.940 9.351 -2.412 1.00 2.85 H new ATOM 0 HD2 ARG A 10 14.403 10.116 -0.224 1.00 3.85 H new ATOM 0 HD3 ARG A 10 16.107 9.723 -0.339 1.00 3.85 H new ATOM 0 HE ARG A 10 16.412 11.921 -0.838 1.00 5.98 H new ATOM 0 HH11 ARG A 10 13.726 10.988 -2.957 1.00 3.07 H new ATOM 0 HH12 ARG A 10 13.467 12.662 -3.460 1.00 3.07 H new ATOM 0 HH21 ARG A 10 15.838 14.033 -1.353 1.00 4.34 H new ATOM 0 HH22 ARG A 10 14.610 14.311 -2.592 1.00 4.34 H new ATOM 155 N LEU A 11 13.687 7.769 -4.764 1.00 0.87 N ATOM 156 CA LEU A 11 13.726 8.215 -6.157 1.00 0.95 C ATOM 157 C LEU A 11 14.286 9.638 -6.251 1.00 5.10 C ATOM 158 O LEU A 11 14.075 10.458 -5.354 1.00 6.18 O ATOM 159 CB LEU A 11 12.325 8.103 -6.785 1.00 0.82 C ATOM 160 CG LEU A 11 11.693 6.694 -6.689 1.00 1.82 C ATOM 161 CD1 LEU A 11 10.322 6.710 -7.368 1.00 4.85 C ATOM 162 CD2 LEU A 11 12.566 5.602 -7.327 1.00 3.11 C ATOM 0 H LEU A 11 12.804 7.972 -4.296 1.00 0.87 H new ATOM 0 HA LEU A 11 14.396 7.568 -6.723 1.00 0.95 H new ATOM 0 HB2 LEU A 11 11.663 8.819 -6.297 1.00 0.82 H new ATOM 0 HB3 LEU A 11 12.387 8.390 -7.835 1.00 0.82 H new ATOM 0 HG LEU A 11 11.600 6.452 -5.630 1.00 1.82 H new ATOM 0 HD11 LEU A 11 9.872 5.719 -7.303 1.00 4.85 H new ATOM 0 HD12 LEU A 11 9.678 7.434 -6.870 1.00 4.85 H new ATOM 0 HD13 LEU A 11 10.438 6.988 -8.416 1.00 4.85 H new ATOM 0 HD21 LEU A 11 12.070 4.636 -7.229 1.00 3.11 H new ATOM 0 HD22 LEU A 11 12.716 5.827 -8.383 1.00 3.11 H new ATOM 0 HD23 LEU A 11 13.532 5.567 -6.823 1.00 3.11 H new ATOM 174 N LEU A 12 14.992 9.928 -7.349 1.00 1.16 N ATOM 175 CA LEU A 12 15.508 11.267 -7.670 1.00 1.38 C ATOM 176 C LEU A 12 14.539 12.030 -8.583 1.00 4.74 C ATOM 177 O LEU A 12 14.096 13.113 -8.217 1.00 5.62 O ATOM 178 CB LEU A 12 16.922 11.156 -8.261 1.00 1.64 C ATOM 179 CG LEU A 12 17.963 10.529 -7.306 1.00 2.59 C ATOM 180 CD1 LEU A 12 19.344 10.695 -7.941 1.00 5.25 C ATOM 181 CD2 LEU A 12 17.984 11.159 -5.901 1.00 3.64 C ATOM 0 H LEU A 12 15.226 9.228 -8.053 1.00 1.16 H new ATOM 0 HA LEU A 12 15.583 11.852 -6.753 1.00 1.38 H new ATOM 0 HB2 LEU A 12 16.876 10.560 -9.172 1.00 1.64 H new ATOM 0 HB3 LEU A 12 17.262 12.151 -8.548 1.00 1.64 H new ATOM 0 HG LEU A 12 17.687 9.483 -7.169 1.00 2.59 H new ATOM 0 HD11 LEU A 12 20.100 10.260 -7.287 1.00 5.25 H new ATOM 0 HD12 LEU A 12 19.364 10.188 -8.906 1.00 5.25 H new ATOM 0 HD13 LEU A 12 19.554 11.755 -8.084 1.00 5.25 H new ATOM 0 HD21 LEU A 12 18.740 10.664 -5.292 1.00 3.64 H new ATOM 0 HD22 LEU A 12 18.220 12.220 -5.982 1.00 3.64 H new ATOM 0 HD23 LEU A 12 17.006 11.039 -5.434 1.00 3.64 H new ATOM 193 N ASN A 13 14.152 11.437 -9.720 1.00 1.36 N ATOM 194 CA ASN A 13 13.007 11.907 -10.508 1.00 1.45 C ATOM 195 C ASN A 13 11.725 11.143 -10.101 1.00 4.72 C ATOM 196 O ASN A 13 11.650 9.936 -10.362 1.00 5.43 O ATOM 197 CB ASN A 13 13.280 11.739 -12.010 1.00 1.72 C ATOM 198 CG ASN A 13 12.097 12.233 -12.842 1.00 3.02 C ATOM 199 OD1 ASN A 13 11.314 13.071 -12.422 1.00 3.21 O ATOM 200 ND2 ASN A 13 11.917 11.714 -14.038 1.00 4.10 N ATOM 0 H ASN A 13 14.621 10.623 -10.117 1.00 1.36 H new ATOM 0 HA ASN A 13 12.858 12.967 -10.304 1.00 1.45 H new ATOM 0 HB2 ASN A 13 14.178 12.293 -12.284 1.00 1.72 H new ATOM 0 HB3 ASN A 13 13.472 10.690 -12.233 1.00 1.72 H new ATOM 0 HD21 ASN A 13 11.126 12.012 -14.610 1.00 4.10 H new ATOM 0 HD22 ASN A 13 12.568 11.014 -14.393 1.00 4.10 H new ATOM 207 N PRO A 14 10.732 11.798 -9.471 1.00 1.13 N ATOM 208 CA PRO A 14 9.507 11.148 -9.015 1.00 2.95 C ATOM 209 C PRO A 14 8.476 10.998 -10.139 1.00 2.65 C ATOM 210 O PRO A 14 8.016 11.968 -10.740 1.00 3.98 O ATOM 211 CB PRO A 14 9.009 12.031 -7.871 1.00 3.41 C ATOM 212 CG PRO A 14 9.481 13.429 -8.269 1.00 2.70 C ATOM 213 CD PRO A 14 10.810 13.159 -8.957 1.00 1.25 C ATOM 0 HA PRO A 14 9.683 10.124 -8.686 1.00 2.95 H new ATOM 0 HB2 PRO A 14 7.924 11.986 -7.772 1.00 3.41 H new ATOM 0 HB3 PRO A 14 9.429 11.723 -6.914 1.00 3.41 H new ATOM 0 HG2 PRO A 14 8.773 13.919 -8.937 1.00 2.70 H new ATOM 0 HG3 PRO A 14 9.600 14.077 -7.401 1.00 2.70 H new ATOM 0 HD2 PRO A 14 10.982 13.871 -9.764 1.00 1.25 H new ATOM 0 HD3 PRO A 14 11.639 13.264 -8.257 1.00 1.25 H new ATOM 221 N LYS A 15 8.082 9.755 -10.416 1.00 0.85 N ATOM 222 CA LYS A 15 7.186 9.439 -11.534 1.00 0.90 C ATOM 223 C LYS A 15 5.700 9.661 -11.168 1.00 6.03 C ATOM 224 O LYS A 15 5.253 9.102 -10.165 1.00 6.06 O ATOM 225 CB LYS A 15 7.426 7.990 -11.963 1.00 1.03 C ATOM 226 CG LYS A 15 6.765 7.653 -13.313 1.00 2.96 C ATOM 227 CD LYS A 15 6.513 6.156 -13.529 1.00 4.89 C ATOM 228 CE LYS A 15 5.291 5.690 -12.719 1.00 2.99 C ATOM 229 NZ LYS A 15 4.883 4.314 -13.084 1.00 3.45 N ATOM 0 H LYS A 15 8.372 8.940 -9.876 1.00 0.85 H new ATOM 0 HA LYS A 15 7.408 10.115 -12.360 1.00 0.90 H new ATOM 0 HB2 LYS A 15 8.499 7.809 -12.033 1.00 1.03 H new ATOM 0 HB3 LYS A 15 7.039 7.319 -11.196 1.00 1.03 H new ATOM 0 HG2 LYS A 15 5.816 8.184 -13.384 1.00 2.96 H new ATOM 0 HG3 LYS A 15 7.399 8.024 -14.119 1.00 2.96 H new ATOM 0 HD2 LYS A 15 6.351 5.958 -14.589 1.00 4.89 H new ATOM 0 HD3 LYS A 15 7.393 5.587 -13.230 1.00 4.89 H new ATOM 0 HE2 LYS A 15 5.523 5.730 -11.655 1.00 2.99 H new ATOM 0 HE3 LYS A 15 4.459 6.373 -12.890 1.00 2.99 H new ATOM 0 HZ1 LYS A 15 4.057 4.035 -12.517 1.00 3.45 H new ATOM 0 HZ2 LYS A 15 4.637 4.281 -14.094 1.00 3.45 H new ATOM 0 HZ3 LYS A 15 5.668 3.658 -12.897 1.00 3.45 H new ATOM 243 N PRO A 16 4.918 10.411 -11.968 1.00 0.86 N ATOM 244 CA PRO A 16 3.493 10.623 -11.733 1.00 3.03 C ATOM 245 C PRO A 16 2.723 9.311 -11.929 1.00 3.01 C ATOM 246 O PRO A 16 3.148 8.461 -12.714 1.00 4.56 O ATOM 247 CB PRO A 16 3.072 11.731 -12.702 1.00 3.09 C ATOM 248 CG PRO A 16 4.073 11.619 -13.851 1.00 2.49 C ATOM 249 CD PRO A 16 5.336 11.038 -13.210 1.00 0.98 C ATOM 0 HA PRO A 16 3.272 10.930 -10.711 1.00 3.03 H new ATOM 0 HB2 PRO A 16 2.049 11.590 -13.049 1.00 3.09 H new ATOM 0 HB3 PRO A 16 3.115 12.712 -12.229 1.00 3.09 H new ATOM 0 HG2 PRO A 16 3.697 10.971 -14.643 1.00 2.49 H new ATOM 0 HG3 PRO A 16 4.269 12.592 -14.302 1.00 2.49 H new ATOM 0 HD2 PRO A 16 5.808 10.311 -13.872 1.00 0.98 H new ATOM 0 HD3 PRO A 16 6.070 11.821 -13.021 1.00 0.98 H new ATOM 257 N VAL A 17 1.619 9.142 -11.191 1.00 0.66 N ATOM 258 CA VAL A 17 0.825 7.902 -11.093 1.00 0.62 C ATOM 259 C VAL A 17 -0.635 8.207 -10.709 1.00 3.62 C ATOM 260 O VAL A 17 -0.888 9.046 -9.847 1.00 3.47 O ATOM 261 CB VAL A 17 1.411 6.899 -10.057 1.00 0.60 C ATOM 262 CG1 VAL A 17 2.649 6.152 -10.591 1.00 0.72 C ATOM 263 CG2 VAL A 17 1.784 7.527 -8.699 1.00 2.83 C ATOM 0 H VAL A 17 1.235 9.895 -10.620 1.00 0.66 H new ATOM 0 HA VAL A 17 0.864 7.443 -12.081 1.00 0.62 H new ATOM 0 HB VAL A 17 0.589 6.202 -9.895 1.00 0.60 H new ATOM 0 HG11 VAL A 17 3.017 5.466 -9.828 1.00 0.72 H new ATOM 0 HG12 VAL A 17 2.377 5.590 -11.484 1.00 0.72 H new ATOM 0 HG13 VAL A 17 3.429 6.872 -10.838 1.00 0.72 H new ATOM 0 HG21 VAL A 17 2.184 6.757 -8.039 1.00 2.83 H new ATOM 0 HG22 VAL A 17 2.536 8.301 -8.850 1.00 2.83 H new ATOM 0 HG23 VAL A 17 0.896 7.968 -8.246 1.00 2.83 H new ATOM 273 N ASP A 18 -1.581 7.474 -11.310 1.00 0.64 N ATOM 274 CA ASP A 18 -2.991 7.375 -10.898 1.00 0.65 C ATOM 275 C ASP A 18 -3.602 6.073 -11.439 1.00 3.46 C ATOM 276 O ASP A 18 -3.160 5.549 -12.461 1.00 3.23 O ATOM 277 CB ASP A 18 -3.822 8.607 -11.318 1.00 0.73 C ATOM 278 CG ASP A 18 -5.274 8.605 -10.792 1.00 1.64 C ATOM 279 OD1 ASP A 18 -5.562 8.041 -9.716 1.00 3.08 O ATOM 280 OD2 ASP A 18 -6.153 9.241 -11.416 1.00 5.07 O ATOM 0 H ASP A 18 -1.377 6.908 -12.134 1.00 0.64 H new ATOM 0 HA ASP A 18 -3.017 7.354 -9.809 1.00 0.65 H new ATOM 0 HB2 ASP A 18 -3.321 9.507 -10.962 1.00 0.73 H new ATOM 0 HB3 ASP A 18 -3.843 8.663 -12.406 1.00 0.73 H new ATOM 285 N PHE A 19 -4.612 5.550 -10.744 1.00 0.75 N ATOM 286 CA PHE A 19 -5.303 4.305 -11.075 1.00 0.83 C ATOM 287 C PHE A 19 -6.797 4.390 -10.736 1.00 6.01 C ATOM 288 O PHE A 19 -7.254 5.366 -10.146 1.00 4.54 O ATOM 289 CB PHE A 19 -4.608 3.130 -10.361 1.00 1.01 C ATOM 290 CG PHE A 19 -4.680 3.120 -8.840 1.00 3.11 C ATOM 291 CD1 PHE A 19 -5.828 2.634 -8.183 1.00 3.09 C ATOM 292 CD2 PHE A 19 -3.580 3.549 -8.071 1.00 2.92 C ATOM 293 CE1 PHE A 19 -5.885 2.599 -6.779 1.00 2.25 C ATOM 294 CE2 PHE A 19 -3.637 3.501 -6.665 1.00 3.92 C ATOM 295 CZ PHE A 19 -4.792 3.033 -6.016 1.00 4.99 C ATOM 0 H PHE A 19 -4.984 5.997 -9.906 1.00 0.75 H new ATOM 0 HA PHE A 19 -5.244 4.135 -12.150 1.00 0.83 H new ATOM 0 HB2 PHE A 19 -5.044 2.201 -10.729 1.00 1.01 H new ATOM 0 HB3 PHE A 19 -3.558 3.127 -10.653 1.00 1.01 H new ATOM 0 HD1 PHE A 19 -6.670 2.286 -8.763 1.00 3.09 H new ATOM 0 HD2 PHE A 19 -2.690 3.916 -8.562 1.00 2.92 H new ATOM 0 HE1 PHE A 19 -6.775 2.236 -6.286 1.00 2.25 H new ATOM 0 HE2 PHE A 19 -2.788 3.826 -6.082 1.00 3.92 H new ATOM 0 HZ PHE A 19 -4.837 3.008 -4.937 1.00 4.99 H new ATOM 305 N ALA A 20 -7.557 3.345 -11.072 1.00 0.74 N ATOM 306 CA ALA A 20 -8.957 3.169 -10.685 1.00 0.71 C ATOM 307 C ALA A 20 -9.147 1.799 -10.011 1.00 3.05 C ATOM 308 O ALA A 20 -8.601 0.816 -10.495 1.00 3.92 O ATOM 309 CB ALA A 20 -9.816 3.285 -11.950 1.00 0.85 C ATOM 0 H ALA A 20 -7.203 2.574 -11.639 1.00 0.74 H new ATOM 0 HA ALA A 20 -9.258 3.933 -9.968 1.00 0.71 H new ATOM 0 HB1 ALA A 20 -10.867 3.157 -11.689 1.00 0.85 H new ATOM 0 HB2 ALA A 20 -9.670 4.267 -12.400 1.00 0.85 H new ATOM 0 HB3 ALA A 20 -9.522 2.513 -12.661 1.00 0.85 H new ATOM 315 N LEU A 21 -9.910 1.742 -8.915 1.00 0.69 N ATOM 316 CA LEU A 21 -10.272 0.553 -8.138 1.00 0.62 C ATOM 317 C LEU A 21 -11.733 0.636 -7.678 1.00 5.04 C ATOM 318 O LEU A 21 -12.359 1.696 -7.761 1.00 5.91 O ATOM 319 CB LEU A 21 -9.355 0.461 -6.898 1.00 0.63 C ATOM 320 CG LEU A 21 -8.518 -0.821 -6.761 1.00 1.49 C ATOM 321 CD1 LEU A 21 -9.354 -2.106 -6.648 1.00 3.69 C ATOM 322 CD2 LEU A 21 -7.508 -0.971 -7.896 1.00 2.73 C ATOM 0 H LEU A 21 -10.321 2.588 -8.519 1.00 0.69 H new ATOM 0 HA LEU A 21 -10.149 -0.330 -8.765 1.00 0.62 H new ATOM 0 HB2 LEU A 21 -8.675 1.313 -6.912 1.00 0.63 H new ATOM 0 HB3 LEU A 21 -9.974 0.562 -6.007 1.00 0.63 H new ATOM 0 HG LEU A 21 -7.987 -0.696 -5.817 1.00 1.49 H new ATOM 0 HD11 LEU A 21 -8.690 -2.965 -6.555 1.00 3.69 H new ATOM 0 HD12 LEU A 21 -9.996 -2.046 -5.769 1.00 3.69 H new ATOM 0 HD13 LEU A 21 -9.970 -2.219 -7.540 1.00 3.69 H new ATOM 0 HD21 LEU A 21 -6.939 -1.891 -7.758 1.00 2.73 H new ATOM 0 HD22 LEU A 21 -8.035 -1.010 -8.849 1.00 2.73 H new ATOM 0 HD23 LEU A 21 -6.828 -0.120 -7.892 1.00 2.73 H new ATOM 334 N GLU A 22 -12.225 -0.449 -7.084 1.00 0.67 N ATOM 335 CA GLU A 22 -13.438 -0.481 -6.272 1.00 0.55 C ATOM 336 C GLU A 22 -13.089 -0.617 -4.783 1.00 3.78 C ATOM 337 O GLU A 22 -12.026 -1.112 -4.397 1.00 4.44 O ATOM 338 CB GLU A 22 -14.341 -1.650 -6.697 1.00 0.63 C ATOM 339 CG GLU A 22 -14.907 -1.498 -8.115 1.00 2.55 C ATOM 340 CD GLU A 22 -14.569 -2.709 -8.990 1.00 5.59 C ATOM 341 OE1 GLU A 22 -15.207 -3.767 -8.823 1.00 3.30 O ATOM 342 OE2 GLU A 22 -13.621 -2.634 -9.802 1.00 2.74 O ATOM 0 H GLU A 22 -11.774 -1.361 -7.158 1.00 0.67 H new ATOM 0 HA GLU A 22 -13.971 0.457 -6.427 1.00 0.55 H new ATOM 0 HB2 GLU A 22 -13.773 -2.578 -6.638 1.00 0.63 H new ATOM 0 HB3 GLU A 22 -15.167 -1.737 -5.991 1.00 0.63 H new ATOM 0 HG2 GLU A 22 -15.989 -1.376 -8.064 1.00 2.55 H new ATOM 0 HG3 GLU A 22 -14.505 -0.594 -8.573 1.00 2.55 H new ATOM 349 N GLY A 23 -14.027 -0.188 -3.942 1.00 0.52 N ATOM 350 CA GLY A 23 -14.046 -0.382 -2.490 1.00 0.51 C ATOM 351 C GLY A 23 -15.456 -0.749 -2.005 1.00 2.23 C ATOM 352 O GLY A 23 -16.390 -0.736 -2.811 1.00 3.19 O ATOM 0 H GLY A 23 -14.840 0.333 -4.271 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -13.346 -1.171 -2.215 1.00 0.51 H new ATOM 0 HA3 GLY A 23 -13.712 0.529 -1.993 1.00 0.51 H new ATOM 356 N PRO A 24 -15.657 -1.032 -0.702 1.00 0.52 N ATOM 357 CA PRO A 24 -16.911 -1.555 -0.134 1.00 3.02 C ATOM 358 C PRO A 24 -18.015 -0.485 0.029 1.00 2.66 C ATOM 359 O PRO A 24 -18.783 -0.500 0.990 1.00 3.62 O ATOM 360 CB PRO A 24 -16.481 -2.179 1.200 1.00 3.17 C ATOM 361 CG PRO A 24 -15.378 -1.225 1.649 1.00 2.30 C ATOM 362 CD PRO A 24 -14.639 -0.949 0.341 1.00 0.55 C ATOM 0 HA PRO A 24 -17.383 -2.278 -0.799 1.00 3.02 H new ATOM 0 HB2 PRO A 24 -17.302 -2.221 1.916 1.00 3.17 H new ATOM 0 HB3 PRO A 24 -16.115 -3.198 1.076 1.00 3.17 H new ATOM 0 HG2 PRO A 24 -15.782 -0.313 2.089 1.00 2.30 H new ATOM 0 HG3 PRO A 24 -14.727 -1.678 2.397 1.00 2.30 H new ATOM 0 HD2 PRO A 24 -14.169 0.035 0.355 1.00 0.55 H new ATOM 0 HD3 PRO A 24 -13.846 -1.679 0.176 1.00 0.55 H new ATOM 370 N GLN A 25 -18.075 0.474 -0.897 1.00 1.00 N ATOM 371 CA GLN A 25 -18.944 1.652 -0.837 1.00 1.09 C ATOM 372 C GLN A 25 -19.060 2.376 -2.189 1.00 5.26 C ATOM 373 O GLN A 25 -20.099 2.975 -2.456 1.00 6.69 O ATOM 374 CB GLN A 25 -18.420 2.607 0.259 1.00 1.20 C ATOM 375 CG GLN A 25 -19.399 3.751 0.565 1.00 3.64 C ATOM 376 CD GLN A 25 -19.004 4.546 1.810 1.00 4.16 C ATOM 377 OE1 GLN A 25 -17.844 4.743 2.126 1.00 2.63 O ATOM 378 NE2 GLN A 25 -19.954 5.033 2.583 1.00 3.67 N ATOM 0 H GLN A 25 -17.500 0.451 -1.739 1.00 1.00 H new ATOM 0 HA GLN A 25 -19.951 1.317 -0.589 1.00 1.09 H new ATOM 0 HB2 GLN A 25 -18.234 2.040 1.171 1.00 1.20 H new ATOM 0 HB3 GLN A 25 -17.465 3.026 -0.056 1.00 1.20 H new ATOM 0 HG2 GLN A 25 -19.445 4.424 -0.291 1.00 3.64 H new ATOM 0 HG3 GLN A 25 -20.400 3.341 0.703 1.00 3.64 H new ATOM 0 HE21 GLN A 25 -20.934 4.883 2.343 1.00 3.67 H new ATOM 0 HE22 GLN A 25 -19.709 5.560 3.422 1.00 3.67 H new ATOM 387 N GLY A 26 -18.035 2.317 -3.053 1.00 0.84 N ATOM 388 CA GLY A 26 -18.014 2.981 -4.355 1.00 0.89 C ATOM 389 C GLY A 26 -16.679 2.812 -5.100 1.00 2.16 C ATOM 390 O GLY A 26 -15.787 2.120 -4.598 1.00 3.19 O ATOM 0 H GLY A 26 -17.182 1.794 -2.857 1.00 0.84 H new ATOM 0 HA2 GLY A 26 -18.820 2.583 -4.972 1.00 0.89 H new ATOM 0 HA3 GLY A 26 -18.214 4.044 -4.217 1.00 0.89 H new ATOM 394 N PRO A 27 -16.543 3.409 -6.298 1.00 0.87 N ATOM 395 CA PRO A 27 -15.307 3.431 -7.072 1.00 2.46 C ATOM 396 C PRO A 27 -14.315 4.451 -6.496 1.00 2.36 C ATOM 397 O PRO A 27 -14.710 5.489 -5.969 1.00 4.15 O ATOM 398 CB PRO A 27 -15.735 3.804 -8.492 1.00 3.43 C ATOM 399 CG PRO A 27 -16.954 4.701 -8.261 1.00 2.97 C ATOM 400 CD PRO A 27 -17.603 4.102 -7.012 1.00 0.94 C ATOM 0 HA PRO A 27 -14.790 2.472 -7.048 1.00 2.46 H new ATOM 0 HB2 PRO A 27 -14.944 4.329 -9.027 1.00 3.43 H new ATOM 0 HB3 PRO A 27 -15.988 2.923 -9.082 1.00 3.43 H new ATOM 0 HG2 PRO A 27 -16.664 5.740 -8.104 1.00 2.97 H new ATOM 0 HG3 PRO A 27 -17.633 4.684 -9.114 1.00 2.97 H new ATOM 0 HD2 PRO A 27 -18.046 4.881 -6.391 1.00 0.94 H new ATOM 0 HD3 PRO A 27 -18.405 3.415 -7.281 1.00 0.94 H new ATOM 408 N VAL A 28 -13.019 4.160 -6.622 1.00 0.85 N ATOM 409 CA VAL A 28 -11.921 4.917 -5.997 1.00 0.85 C ATOM 410 C VAL A 28 -10.798 5.132 -7.014 1.00 4.58 C ATOM 411 O VAL A 28 -10.573 4.291 -7.881 1.00 5.30 O ATOM 412 CB VAL A 28 -11.398 4.179 -4.736 1.00 1.12 C ATOM 413 CG1 VAL A 28 -10.234 4.929 -4.062 1.00 1.35 C ATOM 414 CG2 VAL A 28 -12.519 4.010 -3.691 1.00 3.03 C ATOM 0 H VAL A 28 -12.690 3.370 -7.176 1.00 0.85 H new ATOM 0 HA VAL A 28 -12.294 5.891 -5.680 1.00 0.85 H new ATOM 0 HB VAL A 28 -11.047 3.207 -5.081 1.00 1.12 H new ATOM 0 HG11 VAL A 28 -9.903 4.373 -3.185 1.00 1.35 H new ATOM 0 HG12 VAL A 28 -9.407 5.024 -4.765 1.00 1.35 H new ATOM 0 HG13 VAL A 28 -10.568 5.921 -3.758 1.00 1.35 H new ATOM 0 HG21 VAL A 28 -12.126 3.490 -2.817 1.00 3.03 H new ATOM 0 HG22 VAL A 28 -12.890 4.991 -3.393 1.00 3.03 H new ATOM 0 HG23 VAL A 28 -13.334 3.430 -4.123 1.00 3.03 H new ATOM 424 N ARG A 29 -10.084 6.256 -6.907 1.00 0.75 N ATOM 425 CA ARG A 29 -8.868 6.549 -7.676 1.00 0.73 C ATOM 426 C ARG A 29 -7.763 7.051 -6.747 1.00 7.02 C ATOM 427 O ARG A 29 -8.070 7.595 -5.686 1.00 8.05 O ATOM 428 CB ARG A 29 -9.151 7.619 -8.744 1.00 0.75 C ATOM 429 CG ARG A 29 -10.125 7.161 -9.840 1.00 2.53 C ATOM 430 CD ARG A 29 -10.468 8.296 -10.812 1.00 3.11 C ATOM 431 NE ARG A 29 -9.300 8.784 -11.568 1.00 6.21 N ATOM 432 CZ ARG A 29 -9.299 9.807 -12.414 1.00 3.96 C ATOM 433 NH1 ARG A 29 -10.405 10.444 -12.737 1.00 3.43 N ATOM 434 NH2 ARG A 29 -8.174 10.215 -12.954 1.00 4.89 N ATOM 0 H ARG A 29 -10.341 7.008 -6.267 1.00 0.75 H new ATOM 0 HA ARG A 29 -8.545 5.629 -8.164 1.00 0.73 H new ATOM 0 HB2 ARG A 29 -9.558 8.506 -8.257 1.00 0.75 H new ATOM 0 HB3 ARG A 29 -8.210 7.913 -9.208 1.00 0.75 H new ATOM 0 HG2 ARG A 29 -9.685 6.331 -10.392 1.00 2.53 H new ATOM 0 HG3 ARG A 29 -11.040 6.788 -9.380 1.00 2.53 H new ATOM 0 HD2 ARG A 29 -11.227 7.949 -11.513 1.00 3.11 H new ATOM 0 HD3 ARG A 29 -10.904 9.125 -10.254 1.00 3.11 H new ATOM 0 HE ARG A 29 -8.417 8.293 -11.429 1.00 6.21 H new ATOM 0 HH11 ARG A 29 -11.296 10.155 -12.334 1.00 3.43 H new ATOM 0 HH12 ARG A 29 -10.371 11.227 -13.390 1.00 3.43 H new ATOM 0 HH21 ARG A 29 -7.298 9.746 -12.724 1.00 4.89 H new ATOM 0 HH22 ARG A 29 -8.176 11.001 -13.604 1.00 4.89 H new ATOM 448 N LEU A 30 -6.492 6.980 -7.149 1.00 0.67 N ATOM 449 CA LEU A 30 -5.390 7.606 -6.397 1.00 0.68 C ATOM 450 C LEU A 30 -5.478 9.139 -6.430 1.00 4.26 C ATOM 451 O LEU A 30 -5.074 9.805 -5.483 1.00 4.32 O ATOM 452 CB LEU A 30 -4.060 7.091 -6.960 1.00 0.72 C ATOM 453 CG LEU A 30 -2.786 7.503 -6.203 1.00 1.69 C ATOM 454 CD1 LEU A 30 -2.825 7.092 -4.723 1.00 4.01 C ATOM 455 CD2 LEU A 30 -1.586 6.850 -6.902 1.00 2.75 C ATOM 0 H LEU A 30 -6.194 6.494 -7.995 1.00 0.67 H new ATOM 0 HA LEU A 30 -5.463 7.328 -5.346 1.00 0.68 H new ATOM 0 HB2 LEU A 30 -4.101 6.002 -6.990 1.00 0.72 H new ATOM 0 HB3 LEU A 30 -3.970 7.435 -7.990 1.00 0.72 H new ATOM 0 HG LEU A 30 -2.705 8.590 -6.221 1.00 1.69 H new ATOM 0 HD11 LEU A 30 -1.903 7.406 -4.234 1.00 4.01 H new ATOM 0 HD12 LEU A 30 -3.675 7.569 -4.235 1.00 4.01 H new ATOM 0 HD13 LEU A 30 -2.925 6.009 -4.649 1.00 4.01 H new ATOM 0 HD21 LEU A 30 -0.668 7.127 -6.384 1.00 2.75 H new ATOM 0 HD22 LEU A 30 -1.700 5.766 -6.884 1.00 2.75 H new ATOM 0 HD23 LEU A 30 -1.536 7.192 -7.936 1.00 2.75 H new ATOM 467 N SER A 31 -6.094 9.703 -7.463 1.00 0.73 N ATOM 468 CA SER A 31 -6.489 11.119 -7.536 1.00 0.87 C ATOM 469 C SER A 31 -7.546 11.555 -6.493 1.00 3.05 C ATOM 470 O SER A 31 -7.786 12.751 -6.364 1.00 3.96 O ATOM 471 CB SER A 31 -6.924 11.486 -8.965 1.00 0.98 C ATOM 472 OG SER A 31 -7.651 10.444 -9.601 1.00 3.53 O ATOM 0 H SER A 31 -6.343 9.178 -8.301 1.00 0.73 H new ATOM 0 HA SER A 31 -5.595 11.685 -7.273 1.00 0.87 H new ATOM 0 HB2 SER A 31 -7.539 12.386 -8.934 1.00 0.98 H new ATOM 0 HB3 SER A 31 -6.042 11.723 -9.559 1.00 0.98 H new ATOM 0 HG SER A 31 -7.184 10.171 -10.418 1.00 3.53 H new ATOM 478 N GLN A 32 -8.120 10.651 -5.681 1.00 0.98 N ATOM 479 CA GLN A 32 -8.828 11.037 -4.445 1.00 1.14 C ATOM 480 C GLN A 32 -7.864 11.463 -3.318 1.00 4.73 C ATOM 481 O GLN A 32 -8.315 12.023 -2.321 1.00 5.63 O ATOM 482 CB GLN A 32 -9.702 9.872 -3.936 1.00 1.30 C ATOM 483 CG GLN A 32 -10.837 9.424 -4.873 1.00 2.77 C ATOM 484 CD GLN A 32 -11.918 10.485 -5.075 1.00 5.04 C ATOM 485 OE1 GLN A 32 -12.022 11.087 -6.128 1.00 3.72 O ATOM 486 NE2 GLN A 32 -12.750 10.764 -4.090 1.00 2.89 N ATOM 0 H GLN A 32 -8.108 9.646 -5.857 1.00 0.98 H new ATOM 0 HA GLN A 32 -9.450 11.894 -4.703 1.00 1.14 H new ATOM 0 HB2 GLN A 32 -9.056 9.015 -3.744 1.00 1.30 H new ATOM 0 HB3 GLN A 32 -10.139 10.162 -2.980 1.00 1.30 H new ATOM 0 HG2 GLN A 32 -10.414 9.159 -5.842 1.00 2.77 H new ATOM 0 HG3 GLN A 32 -11.296 8.522 -4.469 1.00 2.77 H new ATOM 0 HE21 GLN A 32 -12.674 10.267 -3.202 1.00 2.89 H new ATOM 0 HE22 GLN A 32 -13.469 11.476 -4.216 1.00 2.89 H new ATOM 495 N PHE A 33 -6.556 11.189 -3.437 1.00 1.01 N ATOM 496 CA PHE A 33 -5.573 11.309 -2.350 1.00 1.14 C ATOM 497 C PHE A 33 -4.256 11.986 -2.783 1.00 6.28 C ATOM 498 O PHE A 33 -3.239 11.818 -2.114 1.00 4.55 O ATOM 499 CB PHE A 33 -5.292 9.905 -1.778 1.00 1.35 C ATOM 500 CG PHE A 33 -6.508 9.079 -1.402 1.00 2.23 C ATOM 501 CD1 PHE A 33 -7.303 9.452 -0.301 1.00 2.29 C ATOM 502 CD2 PHE A 33 -6.846 7.937 -2.151 1.00 2.95 C ATOM 503 CE1 PHE A 33 -8.435 8.690 0.042 1.00 2.15 C ATOM 504 CE2 PHE A 33 -7.969 7.167 -1.801 1.00 4.53 C ATOM 505 CZ PHE A 33 -8.765 7.545 -0.705 1.00 6.93 C ATOM 0 H PHE A 33 -6.143 10.870 -4.313 1.00 1.01 H new ATOM 0 HA PHE A 33 -6.004 11.959 -1.588 1.00 1.14 H new ATOM 0 HB2 PHE A 33 -4.712 9.346 -2.512 1.00 1.35 H new ATOM 0 HB3 PHE A 33 -4.665 10.015 -0.893 1.00 1.35 H new ATOM 0 HD1 PHE A 33 -7.043 10.324 0.281 1.00 2.29 H new ATOM 0 HD2 PHE A 33 -6.240 7.651 -2.998 1.00 2.95 H new ATOM 0 HE1 PHE A 33 -9.051 8.984 0.879 1.00 2.15 H new ATOM 0 HE2 PHE A 33 -8.220 6.286 -2.373 1.00 4.53 H new ATOM 0 HZ PHE A 33 -9.630 6.956 -0.437 1.00 6.93 H new ATOM 515 N GLN A 34 -4.228 12.722 -3.903 1.00 0.91 N ATOM 516 CA GLN A 34 -2.967 13.227 -4.485 1.00 1.01 C ATOM 517 C GLN A 34 -2.241 14.308 -3.652 1.00 4.92 C ATOM 518 O GLN A 34 -1.043 14.510 -3.851 1.00 6.26 O ATOM 519 CB GLN A 34 -3.177 13.641 -5.957 1.00 1.12 C ATOM 520 CG GLN A 34 -4.097 14.850 -6.197 1.00 2.77 C ATOM 521 CD GLN A 34 -4.234 15.159 -7.692 1.00 5.11 C ATOM 522 OE1 GLN A 34 -4.972 14.518 -8.419 1.00 3.41 O ATOM 523 NE2 GLN A 34 -3.482 16.087 -8.250 1.00 3.38 N ATOM 0 H GLN A 34 -5.063 12.983 -4.428 1.00 0.91 H new ATOM 0 HA GLN A 34 -2.271 12.389 -4.457 1.00 1.01 H new ATOM 0 HB2 GLN A 34 -2.203 13.860 -6.394 1.00 1.12 H new ATOM 0 HB3 GLN A 34 -3.585 12.787 -6.498 1.00 1.12 H new ATOM 0 HG2 GLN A 34 -5.081 14.650 -5.773 1.00 2.77 H new ATOM 0 HG3 GLN A 34 -3.698 15.722 -5.679 1.00 2.77 H new ATOM 0 HE21 GLN A 34 -2.851 16.645 -7.675 1.00 3.38 H new ATOM 0 HE22 GLN A 34 -3.532 16.247 -9.256 1.00 3.38 H new ATOM 532 N ASP A 35 -2.930 14.947 -2.696 1.00 1.04 N ATOM 533 CA ASP A 35 -2.363 15.839 -1.663 1.00 1.21 C ATOM 534 C ASP A 35 -1.468 15.097 -0.648 1.00 3.97 C ATOM 535 O ASP A 35 -0.558 15.673 -0.047 1.00 4.22 O ATOM 536 CB ASP A 35 -3.563 16.485 -0.936 1.00 1.52 C ATOM 537 CG ASP A 35 -3.207 17.325 0.306 1.00 2.83 C ATOM 538 OD1 ASP A 35 -2.695 18.448 0.135 1.00 3.09 O ATOM 539 OD2 ASP A 35 -3.509 16.850 1.431 1.00 3.14 O ATOM 0 H ASP A 35 -3.943 14.855 -2.614 1.00 1.04 H new ATOM 0 HA ASP A 35 -1.719 16.578 -2.139 1.00 1.21 H new ATOM 0 HB2 ASP A 35 -4.096 17.121 -1.643 1.00 1.52 H new ATOM 0 HB3 ASP A 35 -4.252 15.696 -0.635 1.00 1.52 H new ATOM 544 N LYS A 36 -1.735 13.807 -0.436 1.00 1.14 N ATOM 545 CA LYS A 36 -1.235 13.052 0.707 1.00 1.23 C ATOM 546 C LYS A 36 0.078 12.317 0.410 1.00 7.65 C ATOM 547 O LYS A 36 0.460 12.076 -0.730 1.00 8.49 O ATOM 548 CB LYS A 36 -2.346 12.095 1.201 1.00 1.56 C ATOM 549 CG LYS A 36 -3.684 12.741 1.483 1.00 3.32 C ATOM 550 CD LYS A 36 -3.560 13.768 2.597 1.00 5.00 C ATOM 551 CE LYS A 36 -4.963 14.305 2.727 1.00 2.47 C ATOM 552 NZ LYS A 36 -4.961 15.630 3.387 1.00 2.28 N ATOM 0 H LYS A 36 -2.314 13.252 -1.066 1.00 1.14 H new ATOM 0 HA LYS A 36 -0.987 13.754 1.503 1.00 1.23 H new ATOM 0 HB2 LYS A 36 -2.489 11.316 0.453 1.00 1.56 H new ATOM 0 HB3 LYS A 36 -2.000 11.604 2.111 1.00 1.56 H new ATOM 0 HG2 LYS A 36 -4.060 13.221 0.579 1.00 3.32 H new ATOM 0 HG3 LYS A 36 -4.410 11.978 1.764 1.00 3.32 H new ATOM 0 HD2 LYS A 36 -3.214 13.315 3.526 1.00 5.00 H new ATOM 0 HD3 LYS A 36 -2.850 14.555 2.343 1.00 5.00 H new ATOM 0 HE2 LYS A 36 -5.419 14.386 1.740 1.00 2.47 H new ATOM 0 HE3 LYS A 36 -5.572 13.608 3.303 1.00 2.47 H new ATOM 0 HZ1 LYS A 36 -5.929 16.010 3.405 1.00 2.28 H new ATOM 0 HZ2 LYS A 36 -4.609 15.532 4.361 1.00 2.28 H new ATOM 0 HZ3 LYS A 36 -4.343 16.280 2.860 1.00 2.28 H new ATOM 566 N VAL A 37 0.719 11.882 1.484 1.00 1.15 N ATOM 567 CA VAL A 37 1.895 11.023 1.524 1.00 1.20 C ATOM 568 C VAL A 37 1.307 9.618 1.675 1.00 4.17 C ATOM 569 O VAL A 37 1.114 9.117 2.780 1.00 4.45 O ATOM 570 CB VAL A 37 2.857 11.386 2.691 1.00 1.23 C ATOM 571 CG1 VAL A 37 4.233 10.756 2.423 1.00 1.48 C ATOM 572 CG2 VAL A 37 3.022 12.902 2.900 1.00 2.95 C ATOM 0 H VAL A 37 0.408 12.139 2.421 1.00 1.15 H new ATOM 0 HA VAL A 37 2.516 11.126 0.634 1.00 1.20 H new ATOM 0 HB VAL A 37 2.412 10.991 3.604 1.00 1.23 H new ATOM 0 HG11 VAL A 37 4.913 11.007 3.237 1.00 1.48 H new ATOM 0 HG12 VAL A 37 4.130 9.673 2.356 1.00 1.48 H new ATOM 0 HG13 VAL A 37 4.633 11.141 1.485 1.00 1.48 H new ATOM 0 HG21 VAL A 37 3.706 13.083 3.729 1.00 2.95 H new ATOM 0 HG22 VAL A 37 3.425 13.353 1.993 1.00 2.95 H new ATOM 0 HG23 VAL A 37 2.052 13.346 3.126 1.00 2.95 H new ATOM 582 N VAL A 38 0.903 9.039 0.543 1.00 0.80 N ATOM 583 CA VAL A 38 0.051 7.842 0.504 1.00 0.68 C ATOM 584 C VAL A 38 0.936 6.608 0.432 1.00 4.55 C ATOM 585 O VAL A 38 1.841 6.541 -0.404 1.00 5.24 O ATOM 586 CB VAL A 38 -0.903 7.818 -0.717 1.00 0.76 C ATOM 587 CG1 VAL A 38 -1.792 6.559 -0.744 1.00 0.94 C ATOM 588 CG2 VAL A 38 -1.820 9.043 -0.741 1.00 3.02 C ATOM 0 H VAL A 38 1.158 9.388 -0.381 1.00 0.80 H new ATOM 0 HA VAL A 38 -0.559 7.856 1.407 1.00 0.68 H new ATOM 0 HB VAL A 38 -0.253 7.819 -1.592 1.00 0.76 H new ATOM 0 HG11 VAL A 38 -2.442 6.591 -1.619 1.00 0.94 H new ATOM 0 HG12 VAL A 38 -1.163 5.670 -0.792 1.00 0.94 H new ATOM 0 HG13 VAL A 38 -2.401 6.524 0.159 1.00 0.94 H new ATOM 0 HG21 VAL A 38 -2.474 8.991 -1.611 1.00 3.02 H new ATOM 0 HG22 VAL A 38 -2.424 9.063 0.166 1.00 3.02 H new ATOM 0 HG23 VAL A 38 -1.216 9.949 -0.795 1.00 3.02 H new ATOM 598 N LEU A 39 0.630 5.631 1.287 1.00 0.57 N ATOM 599 CA LEU A 39 1.234 4.302 1.297 1.00 0.56 C ATOM 600 C LEU A 39 0.304 3.336 0.556 1.00 4.55 C ATOM 601 O LEU A 39 -0.759 2.969 1.058 1.00 5.50 O ATOM 602 CB LEU A 39 1.429 3.884 2.764 1.00 0.62 C ATOM 603 CG LEU A 39 2.665 4.526 3.421 1.00 1.77 C ATOM 604 CD1 LEU A 39 2.487 4.544 4.944 1.00 5.02 C ATOM 605 CD2 LEU A 39 3.935 3.743 3.055 1.00 3.19 C ATOM 0 H LEU A 39 -0.072 5.750 2.018 1.00 0.57 H new ATOM 0 HA LEU A 39 2.202 4.293 0.795 1.00 0.56 H new ATOM 0 HB2 LEU A 39 0.541 4.157 3.333 1.00 0.62 H new ATOM 0 HB3 LEU A 39 1.521 2.799 2.816 1.00 0.62 H new ATOM 0 HG LEU A 39 2.768 5.547 3.054 1.00 1.77 H new ATOM 0 HD11 LEU A 39 3.363 4.999 5.407 1.00 5.02 H new ATOM 0 HD12 LEU A 39 1.599 5.123 5.200 1.00 5.02 H new ATOM 0 HD13 LEU A 39 2.372 3.523 5.309 1.00 5.02 H new ATOM 0 HD21 LEU A 39 4.799 4.210 3.527 1.00 3.19 H new ATOM 0 HD22 LEU A 39 3.842 2.715 3.405 1.00 3.19 H new ATOM 0 HD23 LEU A 39 4.066 3.748 1.973 1.00 3.19 H new ATOM 617 N LEU A 40 0.709 2.927 -0.645 1.00 0.54 N ATOM 618 CA LEU A 40 -0.017 1.962 -1.472 1.00 0.59 C ATOM 619 C LEU A 40 0.616 0.583 -1.305 1.00 4.43 C ATOM 620 O LEU A 40 1.797 0.435 -1.593 1.00 5.27 O ATOM 621 CB LEU A 40 0.043 2.412 -2.949 1.00 0.70 C ATOM 622 CG LEU A 40 -1.321 2.550 -3.629 1.00 1.66 C ATOM 623 CD1 LEU A 40 -2.123 1.246 -3.574 1.00 4.04 C ATOM 624 CD2 LEU A 40 -2.089 3.757 -3.076 1.00 2.93 C ATOM 0 H LEU A 40 1.568 3.263 -1.080 1.00 0.54 H new ATOM 0 HA LEU A 40 -1.061 1.910 -1.163 1.00 0.59 H new ATOM 0 HB2 LEU A 40 0.560 3.370 -3.002 1.00 0.70 H new ATOM 0 HB3 LEU A 40 0.643 1.695 -3.509 1.00 0.70 H new ATOM 0 HG LEU A 40 -1.153 2.745 -4.688 1.00 1.66 H new ATOM 0 HD11 LEU A 40 -3.084 1.389 -4.068 1.00 4.04 H new ATOM 0 HD12 LEU A 40 -1.568 0.456 -4.081 1.00 4.04 H new ATOM 0 HD13 LEU A 40 -2.288 0.964 -2.534 1.00 4.04 H new ATOM 0 HD21 LEU A 40 -3.055 3.833 -3.575 1.00 2.93 H new ATOM 0 HD22 LEU A 40 -2.243 3.630 -2.004 1.00 2.93 H new ATOM 0 HD23 LEU A 40 -1.515 4.666 -3.255 1.00 2.93 H new ATOM 636 N PHE A 41 -0.140 -0.414 -0.848 1.00 0.60 N ATOM 637 CA PHE A 41 0.386 -1.746 -0.523 1.00 0.57 C ATOM 638 C PHE A 41 -0.379 -2.828 -1.289 1.00 5.88 C ATOM 639 O PHE A 41 -1.611 -2.874 -1.237 1.00 4.73 O ATOM 640 CB PHE A 41 0.320 -1.962 1.003 1.00 0.62 C ATOM 641 CG PHE A 41 0.936 -3.245 1.559 1.00 2.83 C ATOM 642 CD1 PHE A 41 1.951 -3.946 0.874 1.00 2.72 C ATOM 643 CD2 PHE A 41 0.510 -3.721 2.816 1.00 2.80 C ATOM 644 CE1 PHE A 41 2.504 -5.117 1.419 1.00 1.81 C ATOM 645 CE2 PHE A 41 1.066 -4.890 3.366 1.00 3.83 C ATOM 646 CZ PHE A 41 2.063 -5.591 2.664 1.00 5.07 C ATOM 0 H PHE A 41 -1.144 -0.323 -0.690 1.00 0.60 H new ATOM 0 HA PHE A 41 1.429 -1.816 -0.833 1.00 0.57 H new ATOM 0 HB2 PHE A 41 0.811 -1.116 1.484 1.00 0.62 H new ATOM 0 HB3 PHE A 41 -0.728 -1.934 1.302 1.00 0.62 H new ATOM 0 HD1 PHE A 41 2.306 -3.579 -0.078 1.00 2.72 H new ATOM 0 HD2 PHE A 41 -0.251 -3.183 3.362 1.00 2.80 H new ATOM 0 HE1 PHE A 41 3.270 -5.653 0.879 1.00 1.81 H new ATOM 0 HE2 PHE A 41 0.728 -5.249 4.327 1.00 3.83 H new ATOM 0 HZ PHE A 41 2.488 -6.492 3.082 1.00 5.07 H new ATOM 656 N PHE A 42 0.367 -3.694 -1.988 1.00 0.57 N ATOM 657 CA PHE A 42 -0.182 -4.811 -2.755 1.00 0.56 C ATOM 658 C PHE A 42 0.030 -6.136 -2.015 1.00 6.53 C ATOM 659 O PHE A 42 1.161 -6.619 -1.900 1.00 4.91 O ATOM 660 CB PHE A 42 0.451 -4.842 -4.152 1.00 0.60 C ATOM 661 CG PHE A 42 -0.073 -3.753 -5.065 1.00 2.41 C ATOM 662 CD1 PHE A 42 0.423 -2.441 -4.954 1.00 2.65 C ATOM 663 CD2 PHE A 42 -1.078 -4.046 -6.007 1.00 2.53 C ATOM 664 CE1 PHE A 42 -0.063 -1.432 -5.801 1.00 4.29 C ATOM 665 CE2 PHE A 42 -1.568 -3.031 -6.849 1.00 1.88 C ATOM 666 CZ PHE A 42 -1.059 -1.726 -6.748 1.00 6.64 C ATOM 0 H PHE A 42 1.384 -3.634 -2.035 1.00 0.57 H new ATOM 0 HA PHE A 42 -1.257 -4.671 -2.867 1.00 0.56 H new ATOM 0 HB2 PHE A 42 1.532 -4.740 -4.057 1.00 0.60 H new ATOM 0 HB3 PHE A 42 0.262 -5.813 -4.609 1.00 0.60 H new ATOM 0 HD1 PHE A 42 1.178 -2.210 -4.217 1.00 2.65 H new ATOM 0 HD2 PHE A 42 -1.472 -5.049 -6.083 1.00 2.53 H new ATOM 0 HE1 PHE A 42 0.329 -0.429 -5.725 1.00 4.29 H new ATOM 0 HE2 PHE A 42 -2.336 -3.256 -7.574 1.00 1.88 H new ATOM 0 HZ PHE A 42 -1.433 -0.949 -7.398 1.00 6.64 H new ATOM 676 N GLY A 43 -1.072 -6.702 -1.504 1.00 0.63 N ATOM 677 CA GLY A 43 -1.124 -8.007 -0.844 1.00 0.73 C ATOM 678 C GLY A 43 -2.423 -8.778 -1.084 1.00 2.00 C ATOM 679 O GLY A 43 -3.378 -8.260 -1.653 1.00 2.84 O ATOM 0 H GLY A 43 -1.983 -6.244 -1.542 1.00 0.63 H new ATOM 0 HA2 GLY A 43 -0.286 -8.611 -1.192 1.00 0.73 H new ATOM 0 HA3 GLY A 43 -0.991 -7.865 0.229 1.00 0.73 H new ATOM 683 N PHE A 44 -2.486 -10.006 -0.574 1.00 0.87 N ATOM 684 CA PHE A 44 -3.730 -10.762 -0.332 1.00 0.86 C ATOM 685 C PHE A 44 -4.000 -10.755 1.183 1.00 5.96 C ATOM 686 O PHE A 44 -3.044 -10.935 1.939 1.00 4.56 O ATOM 687 CB PHE A 44 -3.514 -12.186 -0.892 1.00 0.98 C ATOM 688 CG PHE A 44 -4.599 -13.237 -0.710 1.00 3.18 C ATOM 689 CD1 PHE A 44 -5.956 -12.897 -0.559 1.00 3.34 C ATOM 690 CD2 PHE A 44 -4.238 -14.596 -0.783 1.00 3.05 C ATOM 691 CE1 PHE A 44 -6.939 -13.898 -0.472 1.00 4.03 C ATOM 692 CE2 PHE A 44 -5.221 -15.599 -0.712 1.00 3.35 C ATOM 693 CZ PHE A 44 -6.575 -15.251 -0.565 1.00 4.91 C ATOM 0 H PHE A 44 -1.650 -10.526 -0.307 1.00 0.87 H new ATOM 0 HA PHE A 44 -4.599 -10.326 -0.825 1.00 0.86 H new ATOM 0 HB2 PHE A 44 -3.328 -12.091 -1.962 1.00 0.98 H new ATOM 0 HB3 PHE A 44 -2.601 -12.578 -0.443 1.00 0.98 H new ATOM 0 HD1 PHE A 44 -6.245 -11.858 -0.509 1.00 3.34 H new ATOM 0 HD2 PHE A 44 -3.199 -14.870 -0.894 1.00 3.05 H new ATOM 0 HE1 PHE A 44 -7.975 -13.626 -0.334 1.00 4.03 H new ATOM 0 HE2 PHE A 44 -4.935 -16.639 -0.771 1.00 3.35 H new ATOM 0 HZ PHE A 44 -7.332 -16.021 -0.524 1.00 4.91 H new ATOM 703 N THR A 45 -5.236 -10.551 1.662 1.00 0.95 N ATOM 704 CA THR A 45 -5.561 -10.602 3.106 1.00 1.14 C ATOM 705 C THR A 45 -5.118 -11.915 3.726 1.00 3.96 C ATOM 706 O THR A 45 -4.290 -11.916 4.635 1.00 5.25 O ATOM 707 CB THR A 45 -7.053 -10.390 3.378 1.00 1.26 C ATOM 708 OG1 THR A 45 -7.822 -11.173 2.496 1.00 2.24 O ATOM 709 CG2 THR A 45 -7.422 -8.920 3.246 1.00 1.26 C ATOM 0 H THR A 45 -6.039 -10.347 1.067 1.00 0.95 H new ATOM 0 HA THR A 45 -5.012 -9.781 3.567 1.00 1.14 H new ATOM 0 HB THR A 45 -7.266 -10.702 4.400 1.00 1.26 H new ATOM 0 HG1 THR A 45 -8.511 -10.615 2.079 1.00 2.24 H new ATOM 0 HG21 THR A 45 -8.486 -8.793 3.443 1.00 1.26 H new ATOM 0 HG22 THR A 45 -6.847 -8.335 3.964 1.00 1.26 H new ATOM 0 HG23 THR A 45 -7.197 -8.578 2.236 1.00 1.26 H new ATOM 717 N ARG A 46 -5.575 -13.034 3.163 1.00 1.41 N ATOM 718 CA ARG A 46 -5.174 -14.396 3.534 1.00 1.65 C ATOM 719 C ARG A 46 -3.785 -14.767 2.967 1.00 6.92 C ATOM 720 O ARG A 46 -3.606 -15.806 2.326 1.00 7.07 O ATOM 721 CB ARG A 46 -6.314 -15.360 3.153 1.00 2.25 C ATOM 722 CG ARG A 46 -6.133 -16.774 3.732 1.00 3.85 C ATOM 723 CD ARG A 46 -6.003 -17.838 2.631 1.00 4.89 C ATOM 724 NE ARG A 46 -5.466 -19.106 3.161 1.00 5.31 N ATOM 725 CZ ARG A 46 -4.186 -19.360 3.427 1.00 4.22 C ATOM 726 NH1 ARG A 46 -3.245 -18.452 3.258 1.00 4.03 N ATOM 727 NH2 ARG A 46 -3.831 -20.543 3.890 1.00 5.24 N ATOM 0 H ARG A 46 -6.260 -13.019 2.408 1.00 1.41 H new ATOM 0 HA ARG A 46 -5.032 -14.474 4.612 1.00 1.65 H new ATOM 0 HB2 ARG A 46 -7.261 -14.949 3.504 1.00 2.25 H new ATOM 0 HB3 ARG A 46 -6.378 -15.425 2.067 1.00 2.25 H new ATOM 0 HG2 ARG A 46 -5.244 -16.796 4.363 1.00 3.85 H new ATOM 0 HG3 ARG A 46 -6.983 -17.015 4.370 1.00 3.85 H new ATOM 0 HD2 ARG A 46 -6.979 -18.016 2.179 1.00 4.89 H new ATOM 0 HD3 ARG A 46 -5.349 -17.467 1.841 1.00 4.89 H new ATOM 0 HE ARG A 46 -6.135 -19.855 3.340 1.00 5.31 H new ATOM 0 HH11 ARG A 46 -3.488 -17.523 2.914 1.00 4.03 H new ATOM 0 HH12 ARG A 46 -2.274 -18.678 3.471 1.00 4.03 H new ATOM 0 HH21 ARG A 46 -4.537 -21.263 4.044 1.00 5.24 H new ATOM 0 HH22 ARG A 46 -2.851 -20.738 4.094 1.00 5.24 H new ATOM 741 N CYS A 47 -2.783 -13.921 3.203 1.00 1.29 N ATOM 742 CA CYS A 47 -1.365 -14.153 2.878 1.00 1.68 C ATOM 743 C CYS A 47 -0.721 -15.275 3.738 1.00 3.75 C ATOM 744 O CYS A 47 -1.447 -15.965 4.459 1.00 4.39 O ATOM 745 CB CYS A 47 -0.652 -12.791 2.996 1.00 2.12 C ATOM 746 SG CYS A 47 -0.188 -12.270 1.322 1.00 4.26 S ATOM 0 H CYS A 47 -2.938 -13.015 3.645 1.00 1.29 H new ATOM 0 HA CYS A 47 -1.263 -14.534 1.862 1.00 1.68 H new ATOM 0 HB2 CYS A 47 -1.308 -12.054 3.459 1.00 2.12 H new ATOM 0 HB3 CYS A 47 0.231 -12.874 3.630 1.00 2.12 H new ATOM 0 HG CYS A 47 0.812 -11.441 1.387 1.00 4.26 H new ATOM 752 N PRO A 48 0.613 -15.500 3.666 1.00 1.75 N ATOM 753 CA PRO A 48 1.305 -16.351 4.627 1.00 3.06 C ATOM 754 C PRO A 48 1.488 -15.643 5.977 1.00 2.72 C ATOM 755 O PRO A 48 1.129 -16.231 6.988 1.00 3.46 O ATOM 756 CB PRO A 48 2.639 -16.730 3.975 1.00 4.72 C ATOM 757 CG PRO A 48 2.926 -15.565 3.033 1.00 3.63 C ATOM 758 CD PRO A 48 1.534 -15.102 2.601 1.00 2.01 C ATOM 0 HA PRO A 48 0.727 -17.246 4.857 1.00 3.06 H new ATOM 0 HB2 PRO A 48 3.428 -16.848 4.718 1.00 4.72 H new ATOM 0 HB3 PRO A 48 2.566 -17.674 3.434 1.00 4.72 H new ATOM 0 HG2 PRO A 48 3.476 -14.769 3.535 1.00 3.63 H new ATOM 0 HG3 PRO A 48 3.527 -15.878 2.180 1.00 3.63 H new ATOM 0 HD2 PRO A 48 1.513 -14.022 2.454 1.00 2.01 H new ATOM 0 HD3 PRO A 48 1.251 -15.559 1.653 1.00 2.01 H new ATOM 766 N ASP A 49 1.999 -14.400 6.009 1.00 1.49 N ATOM 767 CA ASP A 49 2.322 -13.675 7.256 1.00 1.38 C ATOM 768 C ASP A 49 2.440 -12.164 6.986 1.00 3.74 C ATOM 769 O ASP A 49 1.682 -11.366 7.517 1.00 4.18 O ATOM 770 CB ASP A 49 3.628 -14.248 7.841 1.00 1.47 C ATOM 771 CG ASP A 49 4.067 -13.510 9.110 1.00 2.78 C ATOM 772 OD1 ASP A 49 4.684 -12.433 8.947 1.00 2.39 O ATOM 773 OD2 ASP A 49 3.780 -14.020 10.213 1.00 3.92 O ATOM 0 H ASP A 49 2.202 -13.864 5.165 1.00 1.49 H new ATOM 0 HA ASP A 49 1.521 -13.811 7.982 1.00 1.38 H new ATOM 0 HB2 ASP A 49 3.490 -15.305 8.067 1.00 1.47 H new ATOM 0 HB3 ASP A 49 4.418 -14.183 7.093 1.00 1.47 H new ATOM 778 N VAL A 50 3.327 -11.803 6.059 1.00 1.05 N ATOM 779 CA VAL A 50 3.633 -10.452 5.550 1.00 0.97 C ATOM 780 C VAL A 50 2.514 -9.385 5.588 1.00 3.88 C ATOM 781 O VAL A 50 2.794 -8.250 5.955 1.00 4.26 O ATOM 782 CB VAL A 50 4.200 -10.587 4.116 1.00 1.13 C ATOM 783 CG1 VAL A 50 3.211 -11.225 3.116 1.00 1.50 C ATOM 784 CG2 VAL A 50 4.700 -9.256 3.543 1.00 2.72 C ATOM 0 H VAL A 50 3.905 -12.506 5.599 1.00 1.05 H new ATOM 0 HA VAL A 50 4.355 -10.052 6.262 1.00 0.97 H new ATOM 0 HB VAL A 50 5.047 -11.262 4.234 1.00 1.13 H new ATOM 0 HG11 VAL A 50 3.677 -11.287 2.133 1.00 1.50 H new ATOM 0 HG12 VAL A 50 2.945 -12.226 3.456 1.00 1.50 H new ATOM 0 HG13 VAL A 50 2.311 -10.613 3.053 1.00 1.50 H new ATOM 0 HG21 VAL A 50 5.085 -9.415 2.536 1.00 2.72 H new ATOM 0 HG22 VAL A 50 3.876 -8.543 3.508 1.00 2.72 H new ATOM 0 HG23 VAL A 50 5.494 -8.862 4.177 1.00 2.72 H new ATOM 794 N CYS A 51 1.256 -9.683 5.225 1.00 1.10 N ATOM 795 CA CYS A 51 0.196 -8.660 5.184 1.00 1.21 C ATOM 796 C CYS A 51 -0.181 -8.106 6.576 1.00 3.14 C ATOM 797 O CYS A 51 -0.053 -6.894 6.753 1.00 3.44 O ATOM 798 CB CYS A 51 -1.002 -9.156 4.365 1.00 1.50 C ATOM 799 SG CYS A 51 -0.519 -9.139 2.619 1.00 4.77 S ATOM 0 H CYS A 51 0.948 -10.618 4.957 1.00 1.10 H new ATOM 0 HA CYS A 51 0.599 -7.791 4.664 1.00 1.21 H new ATOM 0 HB2 CYS A 51 -1.286 -10.162 4.674 1.00 1.50 H new ATOM 0 HB3 CYS A 51 -1.869 -8.516 4.528 1.00 1.50 H new ATOM 0 HG CYS A 51 -0.491 -10.357 2.165 1.00 4.77 H new ATOM 805 N PRO A 52 -0.628 -8.918 7.562 1.00 1.27 N ATOM 806 CA PRO A 52 -0.839 -8.445 8.930 1.00 3.51 C ATOM 807 C PRO A 52 0.433 -7.873 9.578 1.00 2.90 C ATOM 808 O PRO A 52 0.334 -6.846 10.248 1.00 3.77 O ATOM 809 CB PRO A 52 -1.414 -9.636 9.711 1.00 3.76 C ATOM 810 CG PRO A 52 -1.129 -10.857 8.845 1.00 2.65 C ATOM 811 CD PRO A 52 -1.125 -10.281 7.430 1.00 1.48 C ATOM 0 HA PRO A 52 -1.531 -7.603 8.936 1.00 3.51 H new ATOM 0 HB2 PRO A 52 -0.944 -9.729 10.690 1.00 3.76 H new ATOM 0 HB3 PRO A 52 -2.484 -9.515 9.882 1.00 3.76 H new ATOM 0 HG2 PRO A 52 -0.173 -11.316 9.097 1.00 2.65 H new ATOM 0 HG3 PRO A 52 -1.893 -11.625 8.966 1.00 2.65 H new ATOM 0 HD2 PRO A 52 -0.487 -10.868 6.770 1.00 1.48 H new ATOM 0 HD3 PRO A 52 -2.126 -10.293 6.999 1.00 1.48 H new ATOM 819 N THR A 53 1.610 -8.478 9.349 1.00 1.08 N ATOM 820 CA THR A 53 2.896 -8.032 9.917 1.00 1.04 C ATOM 821 C THR A 53 3.265 -6.624 9.448 1.00 4.05 C ATOM 822 O THR A 53 3.356 -5.711 10.276 1.00 4.87 O ATOM 823 CB THR A 53 3.987 -9.069 9.602 1.00 1.25 C ATOM 824 OG1 THR A 53 3.495 -10.311 10.056 1.00 3.42 O ATOM 825 CG2 THR A 53 5.289 -8.792 10.350 1.00 1.36 C ATOM 0 H THR A 53 1.698 -9.303 8.756 1.00 1.08 H new ATOM 0 HA THR A 53 2.801 -7.964 11.001 1.00 1.04 H new ATOM 0 HB THR A 53 4.203 -9.043 8.534 1.00 1.25 H new ATOM 0 HG1 THR A 53 4.118 -11.023 9.800 1.00 3.42 H new ATOM 0 HG21 THR A 53 6.026 -9.553 10.092 1.00 1.36 H new ATOM 0 HG22 THR A 53 5.668 -7.810 10.069 1.00 1.36 H new ATOM 0 HG23 THR A 53 5.104 -8.815 11.424 1.00 1.36 H new ATOM 833 N THR A 54 3.358 -6.400 8.131 1.00 0.77 N ATOM 834 CA THR A 54 3.587 -5.072 7.543 1.00 0.68 C ATOM 835 C THR A 54 2.512 -4.077 7.968 1.00 3.27 C ATOM 836 O THR A 54 2.865 -2.972 8.360 1.00 4.82 O ATOM 837 CB THR A 54 3.734 -5.169 6.021 1.00 0.73 C ATOM 838 OG1 THR A 54 4.970 -5.757 5.702 1.00 2.49 O ATOM 839 CG2 THR A 54 3.750 -3.808 5.317 1.00 0.88 C ATOM 0 H THR A 54 3.276 -7.142 7.436 1.00 0.77 H new ATOM 0 HA THR A 54 4.529 -4.685 7.931 1.00 0.68 H new ATOM 0 HB THR A 54 2.872 -5.748 5.688 1.00 0.73 H new ATOM 0 HG1 THR A 54 5.244 -6.356 6.427 1.00 2.49 H new ATOM 0 HG21 THR A 54 3.857 -3.955 4.242 1.00 0.88 H new ATOM 0 HG22 THR A 54 2.817 -3.282 5.520 1.00 0.88 H new ATOM 0 HG23 THR A 54 4.588 -3.217 5.687 1.00 0.88 H new ATOM 847 N LEU A 55 1.217 -4.429 7.966 1.00 0.64 N ATOM 848 CA LEU A 55 0.158 -3.485 8.372 1.00 0.63 C ATOM 849 C LEU A 55 0.313 -3.031 9.835 1.00 4.76 C ATOM 850 O LEU A 55 -0.033 -1.889 10.157 1.00 4.86 O ATOM 851 CB LEU A 55 -1.237 -4.116 8.164 1.00 0.67 C ATOM 852 CG LEU A 55 -1.728 -4.194 6.703 1.00 1.66 C ATOM 853 CD1 LEU A 55 -2.954 -5.118 6.625 1.00 5.23 C ATOM 854 CD2 LEU A 55 -2.108 -2.815 6.143 1.00 3.10 C ATOM 0 H LEU A 55 0.878 -5.351 7.691 1.00 0.64 H new ATOM 0 HA LEU A 55 0.257 -2.603 7.739 1.00 0.63 H new ATOM 0 HB2 LEU A 55 -1.224 -5.124 8.577 1.00 0.67 H new ATOM 0 HB3 LEU A 55 -1.963 -3.544 8.741 1.00 0.67 H new ATOM 0 HG LEU A 55 -0.907 -4.586 6.103 1.00 1.66 H new ATOM 0 HD11 LEU A 55 -3.302 -5.174 5.594 1.00 5.23 H new ATOM 0 HD12 LEU A 55 -2.681 -6.115 6.971 1.00 5.23 H new ATOM 0 HD13 LEU A 55 -3.750 -4.721 7.255 1.00 5.23 H new ATOM 0 HD21 LEU A 55 -2.447 -2.922 5.113 1.00 3.10 H new ATOM 0 HD22 LEU A 55 -2.908 -2.385 6.746 1.00 3.10 H new ATOM 0 HD23 LEU A 55 -1.239 -2.158 6.173 1.00 3.10 H new ATOM 866 N LEU A 56 0.855 -3.890 10.707 1.00 0.62 N ATOM 867 CA LEU A 56 1.216 -3.524 12.073 1.00 0.62 C ATOM 868 C LEU A 56 2.404 -2.557 12.091 1.00 4.05 C ATOM 869 O LEU A 56 2.343 -1.571 12.826 1.00 4.27 O ATOM 870 CB LEU A 56 1.454 -4.796 12.910 1.00 0.70 C ATOM 871 CG LEU A 56 1.651 -4.500 14.413 1.00 1.84 C ATOM 872 CD1 LEU A 56 0.988 -5.584 15.272 1.00 4.62 C ATOM 873 CD2 LEU A 56 3.138 -4.403 14.789 1.00 3.01 C ATOM 0 H LEU A 56 1.055 -4.864 10.478 1.00 0.62 H new ATOM 0 HA LEU A 56 0.389 -2.985 12.535 1.00 0.62 H new ATOM 0 HB2 LEU A 56 0.606 -5.470 12.786 1.00 0.70 H new ATOM 0 HB3 LEU A 56 2.333 -5.316 12.529 1.00 0.70 H new ATOM 0 HG LEU A 56 1.181 -3.536 14.607 1.00 1.84 H new ATOM 0 HD11 LEU A 56 1.139 -5.355 16.327 1.00 4.62 H new ATOM 0 HD12 LEU A 56 -0.080 -5.616 15.057 1.00 4.62 H new ATOM 0 HD13 LEU A 56 1.433 -6.552 15.043 1.00 4.62 H new ATOM 0 HD21 LEU A 56 3.231 -4.194 15.855 1.00 3.01 H new ATOM 0 HD22 LEU A 56 3.634 -5.346 14.560 1.00 3.01 H new ATOM 0 HD23 LEU A 56 3.606 -3.600 14.220 1.00 3.01 H new ATOM 885 N ALA A 57 3.453 -2.775 11.289 1.00 0.63 N ATOM 886 CA ALA A 57 4.576 -1.834 11.179 1.00 0.67 C ATOM 887 C ALA A 57 4.141 -0.462 10.618 1.00 3.23 C ATOM 888 O ALA A 57 4.426 0.575 11.223 1.00 3.88 O ATOM 889 CB ALA A 57 5.677 -2.480 10.331 1.00 0.72 C ATOM 0 H ALA A 57 3.548 -3.603 10.701 1.00 0.63 H new ATOM 0 HA ALA A 57 4.964 -1.628 12.176 1.00 0.67 H new ATOM 0 HB1 ALA A 57 6.518 -1.792 10.241 1.00 0.72 H new ATOM 0 HB2 ALA A 57 6.011 -3.401 10.809 1.00 0.72 H new ATOM 0 HB3 ALA A 57 5.286 -2.707 9.339 1.00 0.72 H new ATOM 895 N LEU A 58 3.377 -0.452 9.517 1.00 0.64 N ATOM 896 CA LEU A 58 2.778 0.754 8.929 1.00 0.66 C ATOM 897 C LEU A 58 1.950 1.532 9.961 1.00 4.79 C ATOM 898 O LEU A 58 2.137 2.741 10.104 1.00 5.13 O ATOM 899 CB LEU A 58 1.922 0.390 7.696 1.00 0.71 C ATOM 900 CG LEU A 58 2.682 -0.223 6.496 1.00 1.66 C ATOM 901 CD1 LEU A 58 1.696 -0.535 5.361 1.00 5.09 C ATOM 902 CD2 LEU A 58 3.794 0.685 5.969 1.00 3.20 C ATOM 0 H LEU A 58 3.153 -1.302 8.999 1.00 0.64 H new ATOM 0 HA LEU A 58 3.590 1.405 8.604 1.00 0.66 H new ATOM 0 HB2 LEU A 58 1.151 -0.314 8.009 1.00 0.71 H new ATOM 0 HB3 LEU A 58 1.412 1.291 7.355 1.00 0.71 H new ATOM 0 HG LEU A 58 3.154 -1.138 6.854 1.00 1.66 H new ATOM 0 HD11 LEU A 58 2.236 -0.966 4.518 1.00 5.09 H new ATOM 0 HD12 LEU A 58 0.948 -1.244 5.714 1.00 5.09 H new ATOM 0 HD13 LEU A 58 1.203 0.384 5.044 1.00 5.09 H new ATOM 0 HD21 LEU A 58 4.291 0.201 5.128 1.00 3.20 H new ATOM 0 HD22 LEU A 58 3.366 1.632 5.641 1.00 3.20 H new ATOM 0 HD23 LEU A 58 4.519 0.870 6.762 1.00 3.20 H new ATOM 914 N LYS A 59 1.073 0.876 10.736 1.00 0.62 N ATOM 915 CA LYS A 59 0.328 1.596 11.778 1.00 0.66 C ATOM 916 C LYS A 59 1.193 2.025 12.974 1.00 5.56 C ATOM 917 O LYS A 59 0.963 3.098 13.528 1.00 5.72 O ATOM 918 CB LYS A 59 -0.967 0.856 12.147 1.00 0.78 C ATOM 919 CG LYS A 59 -0.928 -0.282 13.178 1.00 2.55 C ATOM 920 CD LYS A 59 -0.902 0.214 14.630 1.00 3.71 C ATOM 921 CE LYS A 59 -1.462 -0.826 15.604 1.00 2.77 C ATOM 922 NZ LYS A 59 -1.465 -0.287 16.985 1.00 3.02 N ATOM 0 H LYS A 59 0.867 -0.120 10.666 1.00 0.62 H new ATOM 0 HA LYS A 59 0.016 2.550 11.352 1.00 0.66 H new ATOM 0 HB2 LYS A 59 -1.675 1.601 12.511 1.00 0.78 H new ATOM 0 HB3 LYS A 59 -1.381 0.446 11.226 1.00 0.78 H new ATOM 0 HG2 LYS A 59 -1.799 -0.922 13.036 1.00 2.55 H new ATOM 0 HG3 LYS A 59 -0.047 -0.898 12.996 1.00 2.55 H new ATOM 0 HD2 LYS A 59 0.122 0.458 14.911 1.00 3.71 H new ATOM 0 HD3 LYS A 59 -1.482 1.133 14.709 1.00 3.71 H new ATOM 0 HE2 LYS A 59 -2.475 -1.100 15.311 1.00 2.77 H new ATOM 0 HE3 LYS A 59 -0.861 -1.734 15.562 1.00 2.77 H new ATOM 0 HZ1 LYS A 59 -2.068 -0.882 17.589 1.00 3.02 H new ATOM 0 HZ2 LYS A 59 -0.495 -0.286 17.359 1.00 3.02 H new ATOM 0 HZ3 LYS A 59 -1.835 0.685 16.977 1.00 3.02 H new ATOM 936 N ARG A 60 2.214 1.243 13.349 1.00 0.68 N ATOM 937 CA ARG A 60 3.174 1.623 14.398 1.00 0.77 C ATOM 938 C ARG A 60 3.968 2.885 14.029 1.00 6.32 C ATOM 939 O ARG A 60 4.317 3.651 14.926 1.00 6.83 O ATOM 940 CB ARG A 60 4.131 0.461 14.706 1.00 0.82 C ATOM 941 CG ARG A 60 3.509 -0.676 15.536 1.00 2.82 C ATOM 942 CD ARG A 60 3.749 -0.528 17.042 1.00 3.43 C ATOM 943 NE ARG A 60 3.051 0.637 17.608 1.00 4.57 N ATOM 944 CZ ARG A 60 3.448 1.425 18.593 1.00 3.79 C ATOM 945 NH1 ARG A 60 4.570 1.230 19.259 1.00 4.39 N ATOM 946 NH2 ARG A 60 2.676 2.437 18.911 1.00 3.71 N ATOM 0 H ARG A 60 2.399 0.329 12.935 1.00 0.68 H new ATOM 0 HA ARG A 60 2.595 1.852 15.292 1.00 0.77 H new ATOM 0 HB2 ARG A 60 4.496 0.049 13.765 1.00 0.82 H new ATOM 0 HB3 ARG A 60 4.997 0.852 15.240 1.00 0.82 H new ATOM 0 HG2 ARG A 60 2.436 -0.709 15.348 1.00 2.82 H new ATOM 0 HG3 ARG A 60 3.921 -1.628 15.201 1.00 2.82 H new ATOM 0 HD2 ARG A 60 3.414 -1.432 17.551 1.00 3.43 H new ATOM 0 HD3 ARG A 60 4.819 -0.434 17.229 1.00 3.43 H new ATOM 0 HE ARG A 60 2.149 0.865 17.189 1.00 4.57 H new ATOM 0 HH11 ARG A 60 5.174 0.443 19.021 1.00 4.39 H new ATOM 0 HH12 ARG A 60 4.833 1.866 20.012 1.00 4.39 H new ATOM 0 HH21 ARG A 60 1.805 2.593 18.404 1.00 3.71 H new ATOM 0 HH22 ARG A 60 2.947 3.068 19.665 1.00 3.71 H new ATOM 960 N ALA A 61 4.212 3.133 12.736 1.00 0.76 N ATOM 961 CA ALA A 61 4.771 4.391 12.246 1.00 0.78 C ATOM 962 C ALA A 61 3.768 5.556 12.343 1.00 3.08 C ATOM 963 O ALA A 61 4.108 6.612 12.870 1.00 3.91 O ATOM 964 CB ALA A 61 5.284 4.169 10.818 1.00 0.83 C ATOM 0 H ALA A 61 4.024 2.456 11.996 1.00 0.76 H new ATOM 0 HA ALA A 61 5.605 4.688 12.882 1.00 0.78 H new ATOM 0 HB1 ALA A 61 5.706 5.098 10.434 1.00 0.83 H new ATOM 0 HB2 ALA A 61 6.053 3.397 10.824 1.00 0.83 H new ATOM 0 HB3 ALA A 61 4.458 3.854 10.180 1.00 0.83 H new ATOM 970 N TYR A 62 2.516 5.367 11.907 1.00 0.78 N ATOM 971 CA TYR A 62 1.450 6.378 12.028 1.00 0.90 C ATOM 972 C TYR A 62 1.210 6.806 13.491 1.00 3.83 C ATOM 973 O TYR A 62 1.067 7.994 13.775 1.00 4.05 O ATOM 974 CB TYR A 62 0.175 5.820 11.366 1.00 0.99 C ATOM 975 CG TYR A 62 -1.024 6.757 11.307 1.00 2.52 C ATOM 976 CD1 TYR A 62 -1.735 7.085 12.479 1.00 3.14 C ATOM 977 CD2 TYR A 62 -1.477 7.244 10.064 1.00 4.06 C ATOM 978 CE1 TYR A 62 -2.850 7.940 12.424 1.00 3.21 C ATOM 979 CE2 TYR A 62 -2.622 8.061 9.997 1.00 2.59 C ATOM 980 CZ TYR A 62 -3.303 8.427 11.179 1.00 3.71 C ATOM 981 OH TYR A 62 -4.383 9.251 11.115 1.00 3.58 O ATOM 0 H TYR A 62 2.209 4.504 11.457 1.00 0.78 H new ATOM 0 HA TYR A 62 1.757 7.288 11.512 1.00 0.90 H new ATOM 0 HB2 TYR A 62 0.423 5.518 10.348 1.00 0.99 H new ATOM 0 HB3 TYR A 62 -0.122 4.919 11.903 1.00 0.99 H new ATOM 0 HD1 TYR A 62 -1.421 6.676 13.428 1.00 3.14 H new ATOM 0 HD2 TYR A 62 -0.944 6.990 9.160 1.00 4.06 H new ATOM 0 HE1 TYR A 62 -3.359 8.224 13.333 1.00 3.21 H new ATOM 0 HE2 TYR A 62 -2.980 8.409 9.039 1.00 2.59 H new ATOM 0 HH TYR A 62 -4.332 9.914 11.835 1.00 3.58 H new ATOM 991 N GLU A 63 1.252 5.846 14.426 1.00 0.94 N ATOM 992 CA GLU A 63 1.155 6.047 15.882 1.00 1.17 C ATOM 993 C GLU A 63 2.328 6.858 16.463 1.00 4.60 C ATOM 994 O GLU A 63 2.272 7.304 17.606 1.00 5.33 O ATOM 995 CB GLU A 63 1.056 4.686 16.596 1.00 1.36 C ATOM 996 CG GLU A 63 -0.308 3.998 16.414 1.00 2.91 C ATOM 997 CD GLU A 63 -0.353 2.624 17.085 1.00 5.51 C ATOM 998 OE1 GLU A 63 0.628 1.842 17.014 1.00 2.96 O ATOM 999 OE2 GLU A 63 -1.399 2.261 17.656 1.00 3.75 O ATOM 0 H GLU A 63 1.359 4.862 14.178 1.00 0.94 H new ATOM 0 HA GLU A 63 0.251 6.631 16.057 1.00 1.17 H new ATOM 0 HB2 GLU A 63 1.839 4.029 16.219 1.00 1.36 H new ATOM 0 HB3 GLU A 63 1.244 4.828 17.660 1.00 1.36 H new ATOM 0 HG2 GLU A 63 -1.091 4.631 16.831 1.00 2.91 H new ATOM 0 HG3 GLU A 63 -0.519 3.889 15.350 1.00 2.91 H new ATOM 1006 N LYS A 64 3.423 7.019 15.716 1.00 0.95 N ATOM 1007 CA LYS A 64 4.573 7.837 16.105 1.00 0.98 C ATOM 1008 C LYS A 64 4.451 9.316 15.684 1.00 6.40 C ATOM 1009 O LYS A 64 5.238 10.147 16.143 1.00 6.33 O ATOM 1010 CB LYS A 64 5.823 7.196 15.467 1.00 1.06 C ATOM 1011 CG LYS A 64 7.075 7.323 16.346 1.00 2.99 C ATOM 1012 CD LYS A 64 7.121 6.211 17.407 1.00 4.80 C ATOM 1013 CE LYS A 64 8.284 6.386 18.392 1.00 3.34 C ATOM 1014 NZ LYS A 64 9.602 6.360 17.714 1.00 3.59 N ATOM 0 H LYS A 64 3.537 6.575 14.805 1.00 0.95 H new ATOM 0 HA LYS A 64 4.635 7.855 17.193 1.00 0.98 H new ATOM 0 HB2 LYS A 64 5.626 6.141 15.275 1.00 1.06 H new ATOM 0 HB3 LYS A 64 6.014 7.666 14.502 1.00 1.06 H new ATOM 0 HG2 LYS A 64 7.968 7.272 15.723 1.00 2.99 H new ATOM 0 HG3 LYS A 64 7.083 8.297 16.835 1.00 2.99 H new ATOM 0 HD2 LYS A 64 6.181 6.200 17.958 1.00 4.80 H new ATOM 0 HD3 LYS A 64 7.211 5.244 16.912 1.00 4.80 H new ATOM 0 HE2 LYS A 64 8.169 7.331 18.923 1.00 3.34 H new ATOM 0 HE3 LYS A 64 8.247 5.594 19.140 1.00 3.34 H new ATOM 0 HZ1 LYS A 64 10.293 5.871 18.318 1.00 3.59 H new ATOM 0 HZ2 LYS A 64 9.516 5.857 16.808 1.00 3.59 H new ATOM 0 HZ3 LYS A 64 9.922 7.334 17.540 1.00 3.59 H new ATOM 1028 N LEU A 65 3.528 9.653 14.773 1.00 0.94 N ATOM 1029 CA LEU A 65 3.443 10.965 14.124 1.00 0.97 C ATOM 1030 C LEU A 65 2.622 11.968 14.956 1.00 5.14 C ATOM 1031 O LEU A 65 1.620 11.577 15.562 1.00 5.84 O ATOM 1032 CB LEU A 65 2.819 10.811 12.721 1.00 1.05 C ATOM 1033 CG LEU A 65 3.636 9.988 11.705 1.00 2.26 C ATOM 1034 CD1 LEU A 65 2.864 9.941 10.379 1.00 4.92 C ATOM 1035 CD2 LEU A 65 5.044 10.558 11.463 1.00 3.70 C ATOM 0 H LEU A 65 2.804 9.005 14.461 1.00 0.94 H new ATOM 0 HA LEU A 65 4.455 11.360 14.039 1.00 0.97 H new ATOM 0 HB2 LEU A 65 1.839 10.347 12.830 1.00 1.05 H new ATOM 0 HB3 LEU A 65 2.657 11.806 12.306 1.00 1.05 H new ATOM 0 HG LEU A 65 3.770 8.989 12.119 1.00 2.26 H new ATOM 0 HD11 LEU A 65 3.430 9.362 9.649 1.00 4.92 H new ATOM 0 HD12 LEU A 65 1.893 9.473 10.540 1.00 4.92 H new ATOM 0 HD13 LEU A 65 2.721 10.955 10.005 1.00 4.92 H new ATOM 0 HD21 LEU A 65 5.569 9.935 10.739 1.00 3.70 H new ATOM 0 HD22 LEU A 65 4.964 11.574 11.077 1.00 3.70 H new ATOM 0 HD23 LEU A 65 5.598 10.569 12.401 1.00 3.70 H new ATOM 1047 N PRO A 66 2.969 13.274 14.940 1.00 1.10 N ATOM 1048 CA PRO A 66 2.135 14.304 15.540 1.00 3.01 C ATOM 1049 C PRO A 66 0.820 14.423 14.759 1.00 2.82 C ATOM 1050 O PRO A 66 0.771 14.045 13.579 1.00 4.34 O ATOM 1051 CB PRO A 66 2.952 15.599 15.473 1.00 3.50 C ATOM 1052 CG PRO A 66 3.840 15.398 14.250 1.00 2.77 C ATOM 1053 CD PRO A 66 4.081 13.890 14.227 1.00 1.19 C ATOM 0 HA PRO A 66 1.869 14.075 16.572 1.00 3.01 H new ATOM 0 HB2 PRO A 66 2.310 16.473 15.363 1.00 3.50 H new ATOM 0 HB3 PRO A 66 3.542 15.748 16.377 1.00 3.50 H new ATOM 0 HG2 PRO A 66 3.350 15.740 13.338 1.00 2.77 H new ATOM 0 HG3 PRO A 66 4.774 15.952 14.337 1.00 2.77 H new ATOM 0 HD2 PRO A 66 4.134 13.523 13.202 1.00 1.19 H new ATOM 0 HD3 PRO A 66 5.030 13.643 14.703 1.00 1.19 H new ATOM 1061 N PRO A 67 -0.229 15.007 15.373 1.00 1.24 N ATOM 1062 CA PRO A 67 -1.520 15.196 14.725 1.00 3.24 C ATOM 1063 C PRO A 67 -1.397 15.965 13.407 1.00 3.36 C ATOM 1064 O PRO A 67 -2.147 15.673 12.483 1.00 4.48 O ATOM 1065 CB PRO A 67 -2.409 15.921 15.744 1.00 3.10 C ATOM 1066 CG PRO A 67 -1.418 16.559 16.716 1.00 2.67 C ATOM 1067 CD PRO A 67 -0.262 15.561 16.719 1.00 1.44 C ATOM 0 HA PRO A 67 -1.959 14.239 14.444 1.00 3.24 H new ATOM 0 HB2 PRO A 67 -3.035 16.672 15.263 1.00 3.10 H new ATOM 0 HB3 PRO A 67 -3.078 15.228 16.254 1.00 3.10 H new ATOM 0 HG2 PRO A 67 -1.100 17.546 16.380 1.00 2.67 H new ATOM 0 HG3 PRO A 67 -1.848 16.683 17.710 1.00 2.67 H new ATOM 0 HD2 PRO A 67 0.680 16.051 16.966 1.00 1.44 H new ATOM 0 HD3 PRO A 67 -0.419 14.779 17.462 1.00 1.44 H new ATOM 1075 N LYS A 68 -0.420 16.873 13.257 1.00 1.33 N ATOM 1076 CA LYS A 68 -0.331 17.708 12.047 1.00 1.38 C ATOM 1077 C LYS A 68 0.429 17.060 10.879 1.00 6.53 C ATOM 1078 O LYS A 68 0.245 17.465 9.731 1.00 6.27 O ATOM 1079 CB LYS A 68 0.151 19.131 12.405 1.00 1.53 C ATOM 1080 CG LYS A 68 -0.935 20.031 13.045 1.00 3.18 C ATOM 1081 CD LYS A 68 -2.234 20.013 12.223 1.00 4.16 C ATOM 1082 CE LYS A 68 -3.242 21.136 12.466 1.00 3.65 C ATOM 1083 NZ LYS A 68 -4.443 20.881 11.630 1.00 3.87 N ATOM 0 H LYS A 68 0.310 17.047 13.947 1.00 1.33 H new ATOM 0 HA LYS A 68 -1.342 17.799 11.650 1.00 1.38 H new ATOM 0 HB2 LYS A 68 0.994 19.054 13.092 1.00 1.53 H new ATOM 0 HB3 LYS A 68 0.520 19.615 11.501 1.00 1.53 H new ATOM 0 HG2 LYS A 68 -1.140 19.691 14.060 1.00 3.18 H new ATOM 0 HG3 LYS A 68 -0.564 21.053 13.120 1.00 3.18 H new ATOM 0 HD2 LYS A 68 -1.963 20.027 11.167 1.00 4.16 H new ATOM 0 HD3 LYS A 68 -2.737 19.064 12.410 1.00 4.16 H new ATOM 0 HE2 LYS A 68 -3.516 21.177 13.520 1.00 3.65 H new ATOM 0 HE3 LYS A 68 -2.802 22.101 12.213 1.00 3.65 H new ATOM 0 HZ1 LYS A 68 -5.154 21.619 11.809 1.00 3.87 H new ATOM 0 HZ2 LYS A 68 -4.176 20.894 10.625 1.00 3.87 H new ATOM 0 HZ3 LYS A 68 -4.842 19.951 11.870 1.00 3.87 H new ATOM 1097 N ALA A 69 1.244 16.035 11.132 1.00 1.18 N ATOM 1098 CA ALA A 69 1.760 15.165 10.074 1.00 1.13 C ATOM 1099 C ALA A 69 0.704 14.182 9.553 1.00 2.73 C ATOM 1100 O ALA A 69 0.575 14.021 8.345 1.00 3.63 O ATOM 1101 CB ALA A 69 2.999 14.441 10.605 1.00 1.14 C ATOM 0 H ALA A 69 1.563 15.786 12.068 1.00 1.18 H new ATOM 0 HA ALA A 69 2.032 15.777 9.214 1.00 1.13 H new ATOM 0 HB1 ALA A 69 3.398 13.787 9.830 1.00 1.14 H new ATOM 0 HB2 ALA A 69 3.755 15.173 10.887 1.00 1.14 H new ATOM 0 HB3 ALA A 69 2.727 13.846 11.477 1.00 1.14 H new ATOM 1107 N GLN A 70 -0.070 13.535 10.434 1.00 1.09 N ATOM 1108 CA GLN A 70 -0.986 12.471 10.003 1.00 1.20 C ATOM 1109 C GLN A 70 -2.118 12.960 9.084 1.00 5.76 C ATOM 1110 O GLN A 70 -2.505 12.223 8.187 1.00 7.16 O ATOM 1111 CB GLN A 70 -1.489 11.632 11.177 1.00 1.55 C ATOM 1112 CG GLN A 70 -2.223 12.407 12.266 1.00 3.02 C ATOM 1113 CD GLN A 70 -2.713 11.469 13.366 1.00 5.03 C ATOM 1114 OE1 GLN A 70 -3.807 10.928 13.306 1.00 2.71 O ATOM 1115 NE2 GLN A 70 -1.914 11.199 14.381 1.00 3.03 N ATOM 0 H GLN A 70 -0.081 13.726 11.436 1.00 1.09 H new ATOM 0 HA GLN A 70 -0.391 11.806 9.377 1.00 1.20 H new ATOM 0 HB2 GLN A 70 -2.155 10.861 10.791 1.00 1.55 H new ATOM 0 HB3 GLN A 70 -0.638 11.122 11.628 1.00 1.55 H new ATOM 0 HG2 GLN A 70 -1.559 13.159 12.693 1.00 3.02 H new ATOM 0 HG3 GLN A 70 -3.070 12.938 11.832 1.00 3.02 H new ATOM 0 HE21 GLN A 70 -0.998 11.644 14.442 1.00 3.03 H new ATOM 0 HE22 GLN A 70 -2.212 10.545 15.105 1.00 3.03 H new ATOM 1124 N GLU A 71 -2.530 14.231 9.174 1.00 1.09 N ATOM 1125 CA GLU A 71 -3.429 14.882 8.188 1.00 1.17 C ATOM 1126 C GLU A 71 -2.942 14.749 6.737 1.00 4.37 C ATOM 1127 O GLU A 71 -3.719 14.922 5.795 1.00 4.81 O ATOM 1128 CB GLU A 71 -3.607 16.393 8.455 1.00 1.26 C ATOM 1129 CG GLU A 71 -3.637 16.742 9.935 1.00 3.36 C ATOM 1130 CD GLU A 71 -4.188 18.135 10.231 1.00 5.52 C ATOM 1131 OE1 GLU A 71 -3.760 19.128 9.600 1.00 3.24 O ATOM 1132 OE2 GLU A 71 -4.946 18.284 11.210 1.00 3.56 O ATOM 0 H GLU A 71 -2.251 14.849 9.936 1.00 1.09 H new ATOM 0 HA GLU A 71 -4.373 14.352 8.314 1.00 1.17 H new ATOM 0 HB2 GLU A 71 -2.793 16.938 7.977 1.00 1.26 H new ATOM 0 HB3 GLU A 71 -4.533 16.731 7.990 1.00 1.26 H new ATOM 0 HG2 GLU A 71 -4.242 16.003 10.460 1.00 3.36 H new ATOM 0 HG3 GLU A 71 -2.626 16.669 10.336 1.00 3.36 H new ATOM 1139 N ARG A 72 -1.644 14.465 6.566 1.00 0.99 N ATOM 1140 CA ARG A 72 -0.995 14.220 5.284 1.00 1.05 C ATOM 1141 C ARG A 72 -0.748 12.727 5.000 1.00 7.41 C ATOM 1142 O ARG A 72 -0.352 12.426 3.883 1.00 8.23 O ATOM 1143 CB ARG A 72 0.307 15.016 5.157 1.00 1.28 C ATOM 1144 CG ARG A 72 0.056 16.520 5.373 1.00 2.32 C ATOM 1145 CD ARG A 72 0.968 17.073 6.450 1.00 3.12 C ATOM 1146 NE ARG A 72 2.156 17.710 5.861 1.00 6.51 N ATOM 1147 CZ ARG A 72 2.297 18.990 5.536 1.00 4.83 C ATOM 1148 NH1 ARG A 72 1.361 19.889 5.772 1.00 4.52 N ATOM 1149 NH2 ARG A 72 3.395 19.386 4.933 1.00 4.37 N ATOM 0 H ARG A 72 -0.997 14.398 7.352 1.00 0.99 H new ATOM 0 HA ARG A 72 -1.696 14.569 4.526 1.00 1.05 H new ATOM 0 HB2 ARG A 72 1.031 14.656 5.888 1.00 1.28 H new ATOM 0 HB3 ARG A 72 0.742 14.854 4.171 1.00 1.28 H new ATOM 0 HG2 ARG A 72 0.222 17.058 4.440 1.00 2.32 H new ATOM 0 HG3 ARG A 72 -0.985 16.682 5.654 1.00 2.32 H new ATOM 0 HD2 ARG A 72 0.424 17.799 7.054 1.00 3.12 H new ATOM 0 HD3 ARG A 72 1.276 16.269 7.118 1.00 3.12 H new ATOM 0 HE ARG A 72 2.957 17.104 5.683 1.00 6.51 H new ATOM 0 HH11 ARG A 72 0.488 19.611 6.220 1.00 4.52 H new ATOM 0 HH12 ARG A 72 1.510 20.862 5.506 1.00 4.52 H new ATOM 0 HH21 ARG A 72 4.130 18.712 4.718 1.00 4.37 H new ATOM 0 HH22 ARG A 72 3.512 20.367 4.680 1.00 4.37 H new ATOM 1163 N VAL A 73 -0.949 11.791 5.933 1.00 0.98 N ATOM 1164 CA VAL A 73 -0.554 10.368 5.809 1.00 1.02 C ATOM 1165 C VAL A 73 -1.787 9.469 5.883 1.00 3.78 C ATOM 1166 O VAL A 73 -2.537 9.517 6.853 1.00 4.05 O ATOM 1167 CB VAL A 73 0.462 9.937 6.902 1.00 1.20 C ATOM 1168 CG1 VAL A 73 0.877 8.461 6.769 1.00 1.53 C ATOM 1169 CG2 VAL A 73 1.735 10.800 6.834 1.00 3.09 C ATOM 0 H VAL A 73 -1.403 11.999 6.823 1.00 0.98 H new ATOM 0 HA VAL A 73 -0.067 10.259 4.840 1.00 1.02 H new ATOM 0 HB VAL A 73 -0.045 10.076 7.857 1.00 1.20 H new ATOM 0 HG11 VAL A 73 1.588 8.211 7.556 1.00 1.53 H new ATOM 0 HG12 VAL A 73 -0.004 7.826 6.860 1.00 1.53 H new ATOM 0 HG13 VAL A 73 1.342 8.300 5.796 1.00 1.53 H new ATOM 0 HG21 VAL A 73 2.433 10.481 7.608 1.00 3.09 H new ATOM 0 HG22 VAL A 73 2.201 10.684 5.856 1.00 3.09 H new ATOM 0 HG23 VAL A 73 1.474 11.847 6.990 1.00 3.09 H new ATOM 1179 N GLN A 74 -1.987 8.631 4.861 1.00 0.89 N ATOM 1180 CA GLN A 74 -3.044 7.614 4.799 1.00 0.88 C ATOM 1181 C GLN A 74 -2.512 6.348 4.109 1.00 5.43 C ATOM 1182 O GLN A 74 -1.555 6.422 3.338 1.00 6.97 O ATOM 1183 CB GLN A 74 -4.282 8.164 4.067 1.00 0.97 C ATOM 1184 CG GLN A 74 -4.984 9.268 4.872 1.00 2.95 C ATOM 1185 CD GLN A 74 -6.239 9.772 4.177 1.00 5.48 C ATOM 1186 OE1 GLN A 74 -6.256 10.835 3.577 1.00 2.99 O ATOM 1187 NE2 GLN A 74 -7.326 9.028 4.200 1.00 3.31 N ATOM 0 H GLN A 74 -1.400 8.641 4.027 1.00 0.89 H new ATOM 0 HA GLN A 74 -3.346 7.354 5.814 1.00 0.88 H new ATOM 0 HB2 GLN A 74 -3.983 8.558 3.096 1.00 0.97 H new ATOM 0 HB3 GLN A 74 -4.983 7.351 3.879 1.00 0.97 H new ATOM 0 HG2 GLN A 74 -5.245 8.886 5.859 1.00 2.95 H new ATOM 0 HG3 GLN A 74 -4.295 10.099 5.024 1.00 2.95 H new ATOM 0 HE21 GLN A 74 -7.324 8.138 4.698 1.00 3.31 H new ATOM 0 HE22 GLN A 74 -8.169 9.342 3.720 1.00 3.31 H new ATOM 1196 N VAL A 75 -3.136 5.192 4.361 1.00 0.70 N ATOM 1197 CA VAL A 75 -2.700 3.891 3.814 1.00 0.66 C ATOM 1198 C VAL A 75 -3.842 3.243 3.037 1.00 4.42 C ATOM 1199 O VAL A 75 -4.988 3.227 3.496 1.00 4.92 O ATOM 1200 CB VAL A 75 -2.217 2.925 4.920 1.00 0.77 C ATOM 1201 CG1 VAL A 75 -1.599 1.633 4.355 1.00 0.85 C ATOM 1202 CG2 VAL A 75 -1.196 3.597 5.855 1.00 2.70 C ATOM 0 H VAL A 75 -3.964 5.127 4.953 1.00 0.70 H new ATOM 0 HA VAL A 75 -1.858 4.085 3.150 1.00 0.66 H new ATOM 0 HB VAL A 75 -3.111 2.661 5.484 1.00 0.77 H new ATOM 0 HG11 VAL A 75 -1.278 0.993 5.177 1.00 0.85 H new ATOM 0 HG12 VAL A 75 -2.341 1.107 3.755 1.00 0.85 H new ATOM 0 HG13 VAL A 75 -0.740 1.883 3.733 1.00 0.85 H new ATOM 0 HG21 VAL A 75 -0.880 2.887 6.619 1.00 2.70 H new ATOM 0 HG22 VAL A 75 -0.329 3.918 5.277 1.00 2.70 H new ATOM 0 HG23 VAL A 75 -1.655 4.463 6.332 1.00 2.70 H new ATOM 1212 N ILE A 76 -3.510 2.687 1.871 1.00 0.55 N ATOM 1213 CA ILE A 76 -4.433 1.947 1.005 1.00 0.51 C ATOM 1214 C ILE A 76 -3.876 0.540 0.770 1.00 5.07 C ATOM 1215 O ILE A 76 -2.763 0.374 0.265 1.00 5.94 O ATOM 1216 CB ILE A 76 -4.609 2.672 -0.347 1.00 0.57 C ATOM 1217 CG1 ILE A 76 -5.048 4.150 -0.225 1.00 4.46 C ATOM 1218 CG2 ILE A 76 -5.568 1.899 -1.268 1.00 0.61 C ATOM 1219 CD1 ILE A 76 -6.450 4.381 0.344 1.00 3.54 C ATOM 0 H ILE A 76 -2.565 2.740 1.491 1.00 0.55 H new ATOM 0 HA ILE A 76 -5.407 1.886 1.491 1.00 0.51 H new ATOM 0 HB ILE A 76 -3.615 2.693 -0.793 1.00 0.57 H new ATOM 0 HG12 ILE A 76 -4.329 4.672 0.406 1.00 4.46 H new ATOM 0 HG13 ILE A 76 -4.997 4.608 -1.213 1.00 4.46 H new ATOM 0 HG21 ILE A 76 -5.674 2.432 -2.213 1.00 0.61 H new ATOM 0 HG22 ILE A 76 -5.168 0.903 -1.456 1.00 0.61 H new ATOM 0 HG23 ILE A 76 -6.543 1.814 -0.789 1.00 0.61 H new ATOM 0 HD11 ILE A 76 -6.654 5.451 0.385 1.00 3.54 H new ATOM 0 HD12 ILE A 76 -7.187 3.896 -0.296 1.00 3.54 H new ATOM 0 HD13 ILE A 76 -6.509 3.961 1.348 1.00 3.54 H new ATOM 1231 N PHE A 77 -4.680 -0.479 1.066 1.00 0.48 N ATOM 1232 CA PHE A 77 -4.373 -1.863 0.715 1.00 0.49 C ATOM 1233 C PHE A 77 -5.111 -2.196 -0.587 1.00 5.63 C ATOM 1234 O PHE A 77 -6.339 -2.114 -0.619 1.00 4.56 O ATOM 1235 CB PHE A 77 -4.795 -2.775 1.879 1.00 0.55 C ATOM 1236 CG PHE A 77 -4.381 -4.229 1.737 1.00 2.39 C ATOM 1237 CD1 PHE A 77 -3.142 -4.658 2.249 1.00 2.87 C ATOM 1238 CD2 PHE A 77 -5.242 -5.160 1.125 1.00 2.19 C ATOM 1239 CE1 PHE A 77 -2.770 -6.011 2.164 1.00 4.03 C ATOM 1240 CE2 PHE A 77 -4.873 -6.515 1.040 1.00 1.78 C ATOM 1241 CZ PHE A 77 -3.641 -6.941 1.571 1.00 5.24 C ATOM 0 H PHE A 77 -5.566 -0.367 1.558 1.00 0.48 H new ATOM 0 HA PHE A 77 -3.306 -2.015 0.551 1.00 0.49 H new ATOM 0 HB2 PHE A 77 -4.371 -2.380 2.802 1.00 0.55 H new ATOM 0 HB3 PHE A 77 -5.879 -2.730 1.982 1.00 0.55 H new ATOM 0 HD1 PHE A 77 -2.474 -3.945 2.709 1.00 2.87 H new ATOM 0 HD2 PHE A 77 -6.188 -4.833 0.720 1.00 2.19 H new ATOM 0 HE1 PHE A 77 -1.816 -6.335 2.554 1.00 4.03 H new ATOM 0 HE2 PHE A 77 -5.534 -7.227 0.568 1.00 1.78 H new ATOM 0 HZ PHE A 77 -3.365 -7.984 1.523 1.00 5.24 H new ATOM 1251 N VAL A 78 -4.381 -2.557 -1.641 1.00 0.51 N ATOM 1252 CA VAL A 78 -4.966 -3.089 -2.886 1.00 0.51 C ATOM 1253 C VAL A 78 -4.777 -4.602 -2.873 1.00 4.17 C ATOM 1254 O VAL A 78 -3.675 -5.088 -2.602 1.00 4.69 O ATOM 1255 CB VAL A 78 -4.366 -2.435 -4.153 1.00 0.60 C ATOM 1256 CG1 VAL A 78 -4.879 -3.064 -5.458 1.00 1.00 C ATOM 1257 CG2 VAL A 78 -4.742 -0.944 -4.192 1.00 2.88 C ATOM 0 H VAL A 78 -3.363 -2.491 -1.663 1.00 0.51 H new ATOM 0 HA VAL A 78 -6.028 -2.845 -2.925 1.00 0.51 H new ATOM 0 HB VAL A 78 -3.289 -2.588 -4.091 1.00 0.60 H new ATOM 0 HG11 VAL A 78 -4.421 -2.561 -6.309 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -4.619 -4.122 -5.479 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -5.962 -2.956 -5.513 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.318 -0.485 -5.085 1.00 2.88 H new ATOM 0 HG22 VAL A 78 -5.827 -0.843 -4.212 1.00 2.88 H new ATOM 0 HG23 VAL A 78 -4.347 -0.446 -3.306 1.00 2.88 H new ATOM 1267 N SER A 79 -5.862 -5.346 -3.112 1.00 0.54 N ATOM 1268 CA SER A 79 -5.766 -6.808 -3.187 1.00 0.60 C ATOM 1269 C SER A 79 -4.951 -7.297 -4.404 1.00 3.41 C ATOM 1270 O SER A 79 -4.721 -6.557 -5.359 1.00 4.33 O ATOM 1271 CB SER A 79 -7.134 -7.500 -3.073 1.00 0.97 C ATOM 1272 OG SER A 79 -7.636 -7.995 -4.306 1.00 2.37 O ATOM 0 H SER A 79 -6.799 -4.970 -3.254 1.00 0.54 H new ATOM 0 HA SER A 79 -5.199 -7.113 -2.308 1.00 0.60 H new ATOM 0 HB2 SER A 79 -7.054 -8.327 -2.367 1.00 0.97 H new ATOM 0 HB3 SER A 79 -7.853 -6.794 -2.657 1.00 0.97 H new ATOM 0 HG SER A 79 -8.596 -7.808 -4.367 1.00 2.37 H new ATOM 1278 N VAL A 80 -4.517 -8.558 -4.384 1.00 0.70 N ATOM 1279 CA VAL A 80 -3.868 -9.228 -5.535 1.00 0.79 C ATOM 1280 C VAL A 80 -4.606 -10.506 -5.958 1.00 3.65 C ATOM 1281 O VAL A 80 -4.140 -11.220 -6.843 1.00 3.88 O ATOM 1282 CB VAL A 80 -2.372 -9.515 -5.264 1.00 0.84 C ATOM 1283 CG1 VAL A 80 -1.615 -8.224 -4.897 1.00 2.01 C ATOM 1284 CG2 VAL A 80 -2.190 -10.579 -4.167 1.00 3.03 C ATOM 0 H VAL A 80 -4.603 -9.158 -3.564 1.00 0.70 H new ATOM 0 HA VAL A 80 -3.927 -8.530 -6.370 1.00 0.79 H new ATOM 0 HB VAL A 80 -1.947 -9.910 -6.187 1.00 0.84 H new ATOM 0 HG11 VAL A 80 -0.566 -8.457 -4.712 1.00 2.01 H new ATOM 0 HG12 VAL A 80 -1.689 -7.513 -5.719 1.00 2.01 H new ATOM 0 HG13 VAL A 80 -2.053 -7.788 -3.999 1.00 2.01 H new ATOM 0 HG21 VAL A 80 -1.127 -10.755 -4.004 1.00 3.03 H new ATOM 0 HG22 VAL A 80 -2.646 -10.229 -3.241 1.00 3.03 H new ATOM 0 HG23 VAL A 80 -2.668 -11.508 -4.478 1.00 3.03 H new ATOM 1294 N ASP A 81 -5.756 -10.802 -5.337 1.00 0.78 N ATOM 1295 CA ASP A 81 -6.510 -12.037 -5.571 1.00 0.98 C ATOM 1296 C ASP A 81 -8.023 -11.803 -5.406 1.00 3.01 C ATOM 1297 O ASP A 81 -8.622 -12.297 -4.447 1.00 2.47 O ATOM 1298 CB ASP A 81 -5.963 -13.163 -4.663 1.00 1.21 C ATOM 1299 CG ASP A 81 -6.445 -14.566 -5.064 1.00 2.22 C ATOM 1300 OD1 ASP A 81 -7.148 -14.698 -6.097 1.00 3.49 O ATOM 1301 OD2 ASP A 81 -6.062 -15.536 -4.377 1.00 4.82 O ATOM 0 H ASP A 81 -6.191 -10.184 -4.652 1.00 0.78 H new ATOM 0 HA ASP A 81 -6.372 -12.359 -6.603 1.00 0.98 H new ATOM 0 HB2 ASP A 81 -4.874 -13.141 -4.688 1.00 1.21 H new ATOM 0 HB3 ASP A 81 -6.262 -12.966 -3.634 1.00 1.21 H new ATOM 1306 N PRO A 82 -8.674 -11.052 -6.321 1.00 1.04 N ATOM 1307 CA PRO A 82 -10.098 -10.722 -6.229 1.00 3.60 C ATOM 1308 C PRO A 82 -11.037 -11.930 -6.393 1.00 3.41 C ATOM 1309 O PRO A 82 -12.234 -11.791 -6.164 1.00 4.36 O ATOM 1310 CB PRO A 82 -10.339 -9.657 -7.306 1.00 3.05 C ATOM 1311 CG PRO A 82 -9.261 -9.943 -8.348 1.00 1.99 C ATOM 1312 CD PRO A 82 -8.084 -10.413 -7.493 1.00 1.18 C ATOM 0 HA PRO A 82 -10.333 -10.359 -5.228 1.00 3.60 H new ATOM 0 HB2 PRO A 82 -11.339 -9.738 -7.732 1.00 3.05 H new ATOM 0 HB3 PRO A 82 -10.246 -8.650 -6.900 1.00 3.05 H new ATOM 0 HG2 PRO A 82 -9.577 -10.708 -9.058 1.00 1.99 H new ATOM 0 HG3 PRO A 82 -9.011 -9.054 -8.927 1.00 1.99 H new ATOM 0 HD2 PRO A 82 -7.455 -11.112 -8.044 1.00 1.18 H new ATOM 0 HD3 PRO A 82 -7.451 -9.574 -7.204 1.00 1.18 H new ATOM 1320 N GLU A 83 -10.526 -13.124 -6.728 1.00 1.15 N ATOM 1321 CA GLU A 83 -11.289 -14.385 -6.688 1.00 1.29 C ATOM 1322 C GLU A 83 -11.433 -14.959 -5.263 1.00 4.67 C ATOM 1323 O GLU A 83 -12.025 -16.029 -5.080 1.00 5.24 O ATOM 1324 CB GLU A 83 -10.575 -15.419 -7.566 1.00 1.38 C ATOM 1325 CG GLU A 83 -10.700 -15.144 -9.066 1.00 2.77 C ATOM 1326 CD GLU A 83 -9.623 -15.942 -9.786 1.00 5.37 C ATOM 1327 OE1 GLU A 83 -9.647 -17.191 -9.715 1.00 3.17 O ATOM 1328 OE2 GLU A 83 -8.662 -15.297 -10.254 1.00 3.08 O ATOM 0 H GLU A 83 -9.562 -13.245 -7.038 1.00 1.15 H new ATOM 0 HA GLU A 83 -12.293 -14.169 -7.053 1.00 1.29 H new ATOM 0 HB2 GLU A 83 -9.519 -15.444 -7.297 1.00 1.38 H new ATOM 0 HB3 GLU A 83 -10.982 -16.407 -7.352 1.00 1.38 H new ATOM 0 HG2 GLU A 83 -11.689 -15.430 -9.424 1.00 2.77 H new ATOM 0 HG3 GLU A 83 -10.584 -14.079 -9.268 1.00 2.77 H new ATOM 1335 N ARG A 84 -10.826 -14.304 -4.264 1.00 1.14 N ATOM 1336 CA ARG A 84 -10.869 -14.679 -2.844 1.00 1.21 C ATOM 1337 C ARG A 84 -10.939 -13.466 -1.904 1.00 6.96 C ATOM 1338 O ARG A 84 -11.486 -13.599 -0.816 1.00 7.63 O ATOM 1339 CB ARG A 84 -9.637 -15.522 -2.459 1.00 1.53 C ATOM 1340 CG ARG A 84 -9.664 -16.980 -2.950 1.00 2.71 C ATOM 1341 CD ARG A 84 -9.011 -17.172 -4.325 1.00 4.39 C ATOM 1342 NE ARG A 84 -9.011 -18.580 -4.750 1.00 6.47 N ATOM 1343 CZ ARG A 84 -10.033 -19.268 -5.256 1.00 4.85 C ATOM 1344 NH1 ARG A 84 -11.250 -18.772 -5.365 1.00 4.14 N ATOM 1345 NH2 ARG A 84 -9.822 -20.499 -5.673 1.00 4.91 N ATOM 0 H ARG A 84 -10.270 -13.465 -4.430 1.00 1.14 H new ATOM 0 HA ARG A 84 -11.783 -15.260 -2.722 1.00 1.21 H new ATOM 0 HB2 ARG A 84 -8.746 -15.037 -2.857 1.00 1.53 H new ATOM 0 HB3 ARG A 84 -9.541 -15.522 -1.373 1.00 1.53 H new ATOM 0 HG2 ARG A 84 -9.153 -17.610 -2.222 1.00 2.71 H new ATOM 0 HG3 ARG A 84 -10.698 -17.321 -2.996 1.00 2.71 H new ATOM 0 HD2 ARG A 84 -9.542 -16.572 -5.064 1.00 4.39 H new ATOM 0 HD3 ARG A 84 -7.985 -16.804 -4.292 1.00 4.39 H new ATOM 0 HE ARG A 84 -8.131 -19.085 -4.646 1.00 6.47 H new ATOM 0 HH11 ARG A 84 -11.442 -17.820 -5.054 1.00 4.14 H new ATOM 0 HH12 ARG A 84 -11.999 -19.341 -5.760 1.00 4.14 H new ATOM 0 HH21 ARG A 84 -8.890 -20.908 -5.605 1.00 4.91 H new ATOM 0 HH22 ARG A 84 -10.591 -21.044 -6.064 1.00 4.91 H new ATOM 1359 N ASP A 85 -10.401 -12.304 -2.283 1.00 0.87 N ATOM 1360 CA ASP A 85 -10.301 -11.105 -1.438 1.00 0.80 C ATOM 1361 C ASP A 85 -11.319 -10.031 -1.886 1.00 3.48 C ATOM 1362 O ASP A 85 -10.972 -9.167 -2.693 1.00 2.61 O ATOM 1363 CB ASP A 85 -8.840 -10.586 -1.496 1.00 0.89 C ATOM 1364 CG ASP A 85 -8.364 -9.861 -0.234 1.00 1.90 C ATOM 1365 OD1 ASP A 85 -9.166 -9.673 0.711 1.00 3.64 O ATOM 1366 OD2 ASP A 85 -7.146 -9.569 -0.168 1.00 4.67 O ATOM 0 H ASP A 85 -10.010 -12.164 -3.215 1.00 0.87 H new ATOM 0 HA ASP A 85 -10.548 -11.350 -0.405 1.00 0.80 H new ATOM 0 HB2 ASP A 85 -8.177 -11.430 -1.685 1.00 0.89 H new ATOM 0 HB3 ASP A 85 -8.743 -9.909 -2.345 1.00 0.89 H new ATOM 1371 N PRO A 86 -12.594 -10.069 -1.443 1.00 0.68 N ATOM 1372 CA PRO A 86 -13.579 -9.049 -1.798 1.00 2.52 C ATOM 1373 C PRO A 86 -13.292 -7.743 -1.036 1.00 2.76 C ATOM 1374 O PRO A 86 -12.747 -7.805 0.071 1.00 4.49 O ATOM 1375 CB PRO A 86 -14.938 -9.645 -1.420 1.00 3.09 C ATOM 1376 CG PRO A 86 -14.594 -10.550 -0.240 1.00 2.71 C ATOM 1377 CD PRO A 86 -13.218 -11.093 -0.619 1.00 0.76 C ATOM 0 HA PRO A 86 -13.550 -8.793 -2.857 1.00 2.52 H new ATOM 0 HB2 PRO A 86 -15.655 -8.873 -1.142 1.00 3.09 H new ATOM 0 HB3 PRO A 86 -15.377 -10.206 -2.245 1.00 3.09 H new ATOM 0 HG2 PRO A 86 -14.566 -9.997 0.699 1.00 2.71 H new ATOM 0 HG3 PRO A 86 -15.324 -11.350 -0.117 1.00 2.71 H new ATOM 0 HD2 PRO A 86 -12.621 -11.296 0.270 1.00 0.76 H new ATOM 0 HD3 PRO A 86 -13.306 -12.032 -1.165 1.00 0.76 H new ATOM 1385 N PRO A 87 -13.695 -6.568 -1.569 1.00 0.51 N ATOM 1386 CA PRO A 87 -13.364 -5.264 -0.991 1.00 2.98 C ATOM 1387 C PRO A 87 -13.781 -5.126 0.472 1.00 2.62 C ATOM 1388 O PRO A 87 -13.078 -4.479 1.240 1.00 3.97 O ATOM 1389 CB PRO A 87 -14.067 -4.215 -1.858 1.00 3.23 C ATOM 1390 CG PRO A 87 -15.075 -4.999 -2.697 1.00 2.40 C ATOM 1391 CD PRO A 87 -14.459 -6.391 -2.796 1.00 0.55 C ATOM 0 HA PRO A 87 -12.282 -5.134 -0.988 1.00 2.98 H new ATOM 0 HB2 PRO A 87 -14.565 -3.465 -1.243 1.00 3.23 H new ATOM 0 HB3 PRO A 87 -13.355 -3.686 -2.491 1.00 3.23 H new ATOM 0 HG2 PRO A 87 -16.055 -5.028 -2.221 1.00 2.40 H new ATOM 0 HG3 PRO A 87 -15.211 -4.551 -3.681 1.00 2.40 H new ATOM 0 HD2 PRO A 87 -15.230 -7.155 -2.891 1.00 0.55 H new ATOM 0 HD3 PRO A 87 -13.817 -6.474 -3.673 1.00 0.55 H new ATOM 1399 N GLU A 88 -14.876 -5.773 0.880 1.00 0.49 N ATOM 1400 CA GLU A 88 -15.306 -5.803 2.274 1.00 0.55 C ATOM 1401 C GLU A 88 -14.315 -6.495 3.213 1.00 4.11 C ATOM 1402 O GLU A 88 -14.159 -6.054 4.347 1.00 5.04 O ATOM 1403 CB GLU A 88 -16.623 -6.568 2.368 1.00 0.77 C ATOM 1404 CG GLU A 88 -17.837 -5.811 1.833 1.00 2.82 C ATOM 1405 CD GLU A 88 -19.083 -6.603 2.211 1.00 5.41 C ATOM 1406 OE1 GLU A 88 -19.433 -6.558 3.413 1.00 2.84 O ATOM 1407 OE2 GLU A 88 -19.609 -7.313 1.333 1.00 3.13 O ATOM 0 H GLU A 88 -15.488 -6.291 0.249 1.00 0.49 H new ATOM 0 HA GLU A 88 -15.394 -4.763 2.587 1.00 0.55 H new ATOM 0 HB2 GLU A 88 -16.524 -7.504 1.819 1.00 0.77 H new ATOM 0 HB3 GLU A 88 -16.804 -6.828 3.411 1.00 0.77 H new ATOM 0 HG2 GLU A 88 -17.879 -4.808 2.257 1.00 2.82 H new ATOM 0 HG3 GLU A 88 -17.770 -5.697 0.751 1.00 2.82 H new ATOM 1414 N VAL A 89 -13.694 -7.600 2.795 1.00 0.57 N ATOM 1415 CA VAL A 89 -12.738 -8.326 3.645 1.00 0.65 C ATOM 1416 C VAL A 89 -11.426 -7.550 3.712 1.00 4.79 C ATOM 1417 O VAL A 89 -10.957 -7.275 4.814 1.00 5.50 O ATOM 1418 CB VAL A 89 -12.537 -9.789 3.188 1.00 0.77 C ATOM 1419 CG1 VAL A 89 -11.390 -10.502 3.924 1.00 0.99 C ATOM 1420 CG2 VAL A 89 -13.831 -10.588 3.432 1.00 2.58 C ATOM 0 H VAL A 89 -13.834 -8.015 1.874 1.00 0.57 H new ATOM 0 HA VAL A 89 -13.151 -8.394 4.652 1.00 0.65 H new ATOM 0 HB VAL A 89 -12.282 -9.748 2.129 1.00 0.77 H new ATOM 0 HG11 VAL A 89 -11.302 -11.524 3.557 1.00 0.99 H new ATOM 0 HG12 VAL A 89 -10.456 -9.970 3.744 1.00 0.99 H new ATOM 0 HG13 VAL A 89 -11.598 -10.517 4.994 1.00 0.99 H new ATOM 0 HG21 VAL A 89 -13.688 -11.619 3.109 1.00 2.58 H new ATOM 0 HG22 VAL A 89 -14.075 -10.571 4.494 1.00 2.58 H new ATOM 0 HG23 VAL A 89 -14.647 -10.140 2.865 1.00 2.58 H new ATOM 1430 N ALA A 90 -10.897 -7.123 2.556 1.00 0.61 N ATOM 1431 CA ALA A 90 -9.738 -6.234 2.453 1.00 0.64 C ATOM 1432 C ALA A 90 -9.837 -5.005 3.381 1.00 3.20 C ATOM 1433 O ALA A 90 -8.884 -4.704 4.101 1.00 3.96 O ATOM 1434 CB ALA A 90 -9.570 -5.876 0.965 1.00 0.66 C ATOM 0 H ALA A 90 -11.274 -7.394 1.648 1.00 0.61 H new ATOM 0 HA ALA A 90 -8.841 -6.741 2.807 1.00 0.64 H new ATOM 0 HB1 ALA A 90 -8.714 -5.212 0.845 1.00 0.66 H new ATOM 0 HB2 ALA A 90 -9.407 -6.786 0.388 1.00 0.66 H new ATOM 0 HB3 ALA A 90 -10.470 -5.376 0.607 1.00 0.66 H new ATOM 1440 N ASP A 91 -10.993 -4.328 3.422 1.00 0.57 N ATOM 1441 CA ASP A 91 -11.187 -3.120 4.236 1.00 0.59 C ATOM 1442 C ASP A 91 -11.209 -3.403 5.741 1.00 3.44 C ATOM 1443 O ASP A 91 -10.519 -2.722 6.501 1.00 3.88 O ATOM 1444 CB ASP A 91 -12.474 -2.404 3.802 1.00 0.58 C ATOM 1445 CG ASP A 91 -12.633 -1.071 4.537 1.00 1.34 C ATOM 1446 OD1 ASP A 91 -11.766 -0.193 4.333 1.00 3.93 O ATOM 1447 OD2 ASP A 91 -13.563 -0.917 5.357 1.00 3.93 O ATOM 0 H ASP A 91 -11.820 -4.602 2.892 1.00 0.57 H new ATOM 0 HA ASP A 91 -10.326 -2.474 4.062 1.00 0.59 H new ATOM 0 HB2 ASP A 91 -12.453 -2.230 2.726 1.00 0.58 H new ATOM 0 HB3 ASP A 91 -13.335 -3.041 4.005 1.00 0.58 H new ATOM 1452 N ARG A 92 -11.972 -4.412 6.177 1.00 0.71 N ATOM 1453 CA ARG A 92 -12.119 -4.768 7.602 1.00 0.82 C ATOM 1454 C ARG A 92 -10.808 -5.274 8.183 1.00 7.16 C ATOM 1455 O ARG A 92 -10.439 -4.940 9.306 1.00 8.45 O ATOM 1456 CB ARG A 92 -13.208 -5.842 7.761 1.00 1.04 C ATOM 1457 CG ARG A 92 -14.539 -5.225 7.348 1.00 2.81 C ATOM 1458 CD ARG A 92 -15.717 -6.199 7.311 1.00 3.20 C ATOM 1459 NE ARG A 92 -16.936 -5.478 6.902 1.00 6.92 N ATOM 1460 CZ ARG A 92 -17.877 -5.910 6.071 1.00 5.41 C ATOM 1461 NH1 ARG A 92 -17.950 -7.148 5.641 1.00 4.35 N ATOM 1462 NH2 ARG A 92 -18.787 -5.089 5.602 1.00 5.13 N ATOM 0 H ARG A 92 -12.510 -5.011 5.551 1.00 0.71 H new ATOM 0 HA ARG A 92 -12.407 -3.870 8.148 1.00 0.82 H new ATOM 0 HB2 ARG A 92 -12.981 -6.710 7.142 1.00 1.04 H new ATOM 0 HB3 ARG A 92 -13.253 -6.190 8.793 1.00 1.04 H new ATOM 0 HG2 ARG A 92 -14.777 -4.416 8.038 1.00 2.81 H new ATOM 0 HG3 ARG A 92 -14.425 -4.778 6.360 1.00 2.81 H new ATOM 0 HD2 ARG A 92 -15.510 -7.011 6.614 1.00 3.20 H new ATOM 0 HD3 ARG A 92 -15.861 -6.651 8.293 1.00 3.20 H new ATOM 0 HE ARG A 92 -17.071 -4.548 7.300 1.00 6.92 H new ATOM 0 HH11 ARG A 92 -17.260 -7.835 5.945 1.00 4.35 H new ATOM 0 HH12 ARG A 92 -18.696 -7.423 5.002 1.00 4.35 H new ATOM 0 HH21 ARG A 92 -18.777 -4.106 5.875 1.00 5.13 H new ATOM 0 HH22 ARG A 92 -19.505 -5.434 4.964 1.00 5.13 H new ATOM 1476 N TYR A 93 -10.096 -6.059 7.382 1.00 0.69 N ATOM 1477 CA TYR A 93 -8.756 -6.569 7.705 1.00 0.67 C ATOM 1478 C TYR A 93 -7.745 -5.428 7.931 1.00 3.54 C ATOM 1479 O TYR A 93 -7.034 -5.434 8.935 1.00 3.78 O ATOM 1480 CB TYR A 93 -8.297 -7.528 6.597 1.00 0.75 C ATOM 1481 CG TYR A 93 -7.264 -8.560 7.010 1.00 2.42 C ATOM 1482 CD1 TYR A 93 -5.970 -8.181 7.421 1.00 2.29 C ATOM 1483 CD2 TYR A 93 -7.609 -9.926 6.959 1.00 4.60 C ATOM 1484 CE1 TYR A 93 -5.025 -9.164 7.772 1.00 1.75 C ATOM 1485 CE2 TYR A 93 -6.670 -10.911 7.308 1.00 2.57 C ATOM 1486 CZ TYR A 93 -5.376 -10.532 7.720 1.00 2.96 C ATOM 1487 OH TYR A 93 -4.483 -11.489 8.087 1.00 2.82 O ATOM 0 H TYR A 93 -10.435 -6.368 6.471 1.00 0.69 H new ATOM 0 HA TYR A 93 -8.807 -7.117 8.646 1.00 0.67 H new ATOM 0 HB2 TYR A 93 -9.171 -8.050 6.208 1.00 0.75 H new ATOM 0 HB3 TYR A 93 -7.887 -6.938 5.777 1.00 0.75 H new ATOM 0 HD1 TYR A 93 -5.703 -7.135 7.467 1.00 2.29 H new ATOM 0 HD2 TYR A 93 -8.602 -10.217 6.650 1.00 4.60 H new ATOM 0 HE1 TYR A 93 -4.032 -8.873 8.081 1.00 1.75 H new ATOM 0 HE2 TYR A 93 -6.939 -11.956 7.261 1.00 2.57 H new ATOM 0 HH TYR A 93 -4.893 -12.374 7.990 1.00 2.82 H new ATOM 1497 N ALA A 94 -7.705 -4.420 7.052 1.00 0.60 N ATOM 1498 CA ALA A 94 -6.871 -3.231 7.246 1.00 0.65 C ATOM 1499 C ALA A 94 -7.289 -2.431 8.503 1.00 3.41 C ATOM 1500 O ALA A 94 -6.449 -2.094 9.342 1.00 4.23 O ATOM 1501 CB ALA A 94 -6.932 -2.410 5.953 1.00 0.73 C ATOM 0 H ALA A 94 -8.249 -4.406 6.189 1.00 0.60 H new ATOM 0 HA ALA A 94 -5.836 -3.515 7.439 1.00 0.65 H new ATOM 0 HB1 ALA A 94 -6.320 -1.514 6.062 1.00 0.73 H new ATOM 0 HB2 ALA A 94 -6.555 -3.009 5.124 1.00 0.73 H new ATOM 0 HB3 ALA A 94 -7.964 -2.123 5.753 1.00 0.73 H new ATOM 1507 N LYS A 95 -8.597 -2.218 8.685 1.00 0.67 N ATOM 1508 CA LYS A 95 -9.198 -1.574 9.863 1.00 0.75 C ATOM 1509 C LYS A 95 -8.838 -2.264 11.189 1.00 7.31 C ATOM 1510 O LYS A 95 -8.679 -1.575 12.197 1.00 7.89 O ATOM 1511 CB LYS A 95 -10.732 -1.561 9.703 1.00 0.96 C ATOM 1512 CG LYS A 95 -11.407 -0.221 10.032 1.00 3.21 C ATOM 1513 CD LYS A 95 -11.237 0.826 8.920 1.00 4.36 C ATOM 1514 CE LYS A 95 -11.915 0.351 7.628 1.00 2.36 C ATOM 1515 NZ LYS A 95 -11.884 1.371 6.568 1.00 2.43 N ATOM 0 H LYS A 95 -9.292 -2.498 7.993 1.00 0.67 H new ATOM 0 HA LYS A 95 -8.793 -0.563 9.912 1.00 0.75 H new ATOM 0 HB2 LYS A 95 -10.978 -1.832 8.676 1.00 0.96 H new ATOM 0 HB3 LYS A 95 -11.156 -2.332 10.346 1.00 0.96 H new ATOM 0 HG2 LYS A 95 -12.470 -0.389 10.206 1.00 3.21 H new ATOM 0 HG3 LYS A 95 -10.990 0.171 10.960 1.00 3.21 H new ATOM 0 HD2 LYS A 95 -11.669 1.775 9.237 1.00 4.36 H new ATOM 0 HD3 LYS A 95 -10.177 1.003 8.738 1.00 4.36 H new ATOM 0 HE2 LYS A 95 -11.420 -0.553 7.273 1.00 2.36 H new ATOM 0 HE3 LYS A 95 -12.950 0.085 7.841 1.00 2.36 H new ATOM 0 HZ1 LYS A 95 -12.166 0.941 5.664 1.00 2.43 H new ATOM 0 HZ2 LYS A 95 -12.543 2.139 6.806 1.00 2.43 H new ATOM 0 HZ3 LYS A 95 -10.921 1.755 6.484 1.00 2.43 H new ATOM 1529 N ALA A 96 -8.695 -3.597 11.194 1.00 0.74 N ATOM 1530 CA ALA A 96 -8.364 -4.388 12.383 1.00 0.81 C ATOM 1531 C ALA A 96 -6.943 -4.120 12.902 1.00 3.11 C ATOM 1532 O ALA A 96 -6.687 -4.308 14.089 1.00 3.60 O ATOM 1533 CB ALA A 96 -8.565 -5.872 12.057 1.00 0.82 C ATOM 0 H ALA A 96 -8.809 -4.165 10.354 1.00 0.74 H new ATOM 0 HA ALA A 96 -9.032 -4.089 13.190 1.00 0.81 H new ATOM 0 HB1 ALA A 96 -8.322 -6.473 12.933 1.00 0.82 H new ATOM 0 HB2 ALA A 96 -9.603 -6.045 11.775 1.00 0.82 H new ATOM 0 HB3 ALA A 96 -7.912 -6.155 11.231 1.00 0.82 H new ATOM 1539 N PHE A 97 -6.047 -3.636 12.037 1.00 0.82 N ATOM 1540 CA PHE A 97 -4.761 -3.079 12.453 1.00 0.87 C ATOM 1541 C PHE A 97 -4.886 -1.621 12.873 1.00 6.12 C ATOM 1542 O PHE A 97 -4.318 -1.234 13.895 1.00 4.87 O ATOM 1543 CB PHE A 97 -3.730 -3.282 11.334 1.00 0.96 C ATOM 1544 CG PHE A 97 -3.248 -4.708 11.374 1.00 2.13 C ATOM 1545 CD1 PHE A 97 -2.294 -5.060 12.343 1.00 2.06 C ATOM 1546 CD2 PHE A 97 -3.892 -5.701 10.617 1.00 3.07 C ATOM 1547 CE1 PHE A 97 -2.006 -6.415 12.579 1.00 2.19 C ATOM 1548 CE2 PHE A 97 -3.611 -7.056 10.861 1.00 4.58 C ATOM 1549 CZ PHE A 97 -2.675 -7.410 11.848 1.00 6.67 C ATOM 0 H PHE A 97 -6.195 -3.620 11.028 1.00 0.82 H new ATOM 0 HA PHE A 97 -4.413 -3.612 13.338 1.00 0.87 H new ATOM 0 HB2 PHE A 97 -4.176 -3.061 10.364 1.00 0.96 H new ATOM 0 HB3 PHE A 97 -2.893 -2.596 11.463 1.00 0.96 H new ATOM 0 HD1 PHE A 97 -1.784 -4.292 12.905 1.00 2.06 H new ATOM 0 HD2 PHE A 97 -4.600 -5.424 9.850 1.00 3.07 H new ATOM 0 HE1 PHE A 97 -1.271 -6.691 13.321 1.00 2.19 H new ATOM 0 HE2 PHE A 97 -4.113 -7.824 10.291 1.00 4.58 H new ATOM 0 HZ PHE A 97 -2.469 -8.452 12.045 1.00 6.67 H new ATOM 1559 N HIS A 98 -5.625 -0.812 12.109 1.00 0.88 N ATOM 1560 CA HIS A 98 -5.753 0.620 12.356 1.00 0.92 C ATOM 1561 C HIS A 98 -6.886 1.271 11.529 1.00 5.48 C ATOM 1562 O HIS A 98 -6.920 1.088 10.311 1.00 5.26 O ATOM 1563 CB HIS A 98 -4.387 1.237 12.036 1.00 1.06 C ATOM 1564 CG HIS A 98 -4.355 2.736 12.100 1.00 2.98 C ATOM 1565 ND1 HIS A 98 -4.045 3.571 11.057 1.00 3.45 N ATOM 1566 CD2 HIS A 98 -4.584 3.525 13.195 1.00 2.75 C ATOM 1567 CE1 HIS A 98 -4.085 4.831 11.512 1.00 4.68 C ATOM 1568 NE2 HIS A 98 -4.469 4.853 12.794 1.00 3.66 N ATOM 0 H HIS A 98 -6.152 -1.137 11.299 1.00 0.88 H new ATOM 0 HA HIS A 98 -6.033 0.800 13.394 1.00 0.92 H new ATOM 0 HB2 HIS A 98 -3.650 0.840 12.734 1.00 1.06 H new ATOM 0 HB3 HIS A 98 -4.084 0.921 11.038 1.00 1.06 H new ATOM 0 HD1 HIS A 98 -3.823 3.284 10.104 1.00 3.45 H new ATOM 0 HD2 HIS A 98 -4.813 3.179 14.192 1.00 2.75 H new ATOM 0 HE1 HIS A 98 -3.842 5.705 10.927 1.00 4.68 H new ATOM 1577 N PRO A 99 -7.802 2.059 12.137 1.00 0.96 N ATOM 1578 CA PRO A 99 -9.017 2.529 11.467 1.00 3.15 C ATOM 1579 C PRO A 99 -8.822 3.614 10.398 1.00 2.86 C ATOM 1580 O PRO A 99 -9.707 3.774 9.565 1.00 3.70 O ATOM 1581 CB PRO A 99 -9.954 3.003 12.584 1.00 3.58 C ATOM 1582 CG PRO A 99 -8.996 3.399 13.701 1.00 2.60 C ATOM 1583 CD PRO A 99 -7.887 2.362 13.560 1.00 1.09 C ATOM 0 HA PRO A 99 -9.427 1.704 10.885 1.00 3.15 H new ATOM 0 HB2 PRO A 99 -10.568 3.845 12.264 1.00 3.58 H new ATOM 0 HB3 PRO A 99 -10.635 2.213 12.900 1.00 3.58 H new ATOM 0 HG2 PRO A 99 -8.621 4.415 13.575 1.00 2.60 H new ATOM 0 HG3 PRO A 99 -9.472 3.354 14.680 1.00 2.60 H new ATOM 0 HD2 PRO A 99 -6.940 2.750 13.934 1.00 1.09 H new ATOM 0 HD3 PRO A 99 -8.115 1.466 14.137 1.00 1.09 H new ATOM 1591 N SER A 100 -7.687 4.324 10.349 1.00 1.03 N ATOM 1592 CA SER A 100 -7.379 5.268 9.252 1.00 1.18 C ATOM 1593 C SER A 100 -6.878 4.563 7.966 1.00 3.32 C ATOM 1594 O SER A 100 -6.220 5.180 7.121 1.00 2.96 O ATOM 1595 CB SER A 100 -6.384 6.338 9.737 1.00 1.46 C ATOM 1596 OG SER A 100 -6.562 7.580 9.080 1.00 3.52 O ATOM 0 H SER A 100 -6.958 4.265 11.060 1.00 1.03 H new ATOM 0 HA SER A 100 -8.313 5.756 8.974 1.00 1.18 H new ATOM 0 HB2 SER A 100 -6.501 6.479 10.811 1.00 1.46 H new ATOM 0 HB3 SER A 100 -5.366 5.985 9.571 1.00 1.46 H new ATOM 0 HG SER A 100 -5.910 8.227 9.421 1.00 3.52 H new ATOM 1602 N PHE A 101 -7.125 3.249 7.827 1.00 0.88 N ATOM 1603 CA PHE A 101 -6.780 2.462 6.642 1.00 0.79 C ATOM 1604 C PHE A 101 -8.040 2.126 5.824 1.00 6.68 C ATOM 1605 O PHE A 101 -9.141 2.000 6.371 1.00 5.24 O ATOM 1606 CB PHE A 101 -6.061 1.166 7.058 1.00 0.84 C ATOM 1607 CG PHE A 101 -4.688 1.246 7.721 1.00 2.72 C ATOM 1608 CD1 PHE A 101 -4.013 2.464 7.949 1.00 2.97 C ATOM 1609 CD2 PHE A 101 -4.044 0.038 8.053 1.00 3.12 C ATOM 1610 CE1 PHE A 101 -2.706 2.467 8.470 1.00 2.68 C ATOM 1611 CE2 PHE A 101 -2.734 0.039 8.563 1.00 4.26 C ATOM 1612 CZ PHE A 101 -2.059 1.256 8.751 1.00 6.77 C ATOM 0 H PHE A 101 -7.580 2.697 8.554 1.00 0.88 H new ATOM 0 HA PHE A 101 -6.112 3.056 6.018 1.00 0.79 H new ATOM 0 HB2 PHE A 101 -6.722 0.631 7.740 1.00 0.84 H new ATOM 0 HB3 PHE A 101 -5.957 0.550 6.165 1.00 0.84 H new ATOM 0 HD1 PHE A 101 -4.503 3.400 7.722 1.00 2.97 H new ATOM 0 HD2 PHE A 101 -4.562 -0.899 7.914 1.00 3.12 H new ATOM 0 HE1 PHE A 101 -2.201 3.404 8.654 1.00 2.68 H new ATOM 0 HE2 PHE A 101 -2.248 -0.893 8.810 1.00 4.26 H new ATOM 0 HZ PHE A 101 -1.041 1.259 9.112 1.00 6.77 H new ATOM 1622 N LEU A 102 -7.864 1.932 4.513 1.00 0.64 N ATOM 1623 CA LEU A 102 -8.913 1.533 3.560 1.00 0.57 C ATOM 1624 C LEU A 102 -8.440 0.345 2.707 1.00 4.97 C ATOM 1625 O LEU A 102 -7.276 0.307 2.301 1.00 5.42 O ATOM 1626 CB LEU A 102 -9.263 2.783 2.726 1.00 0.67 C ATOM 1627 CG LEU A 102 -10.149 2.602 1.473 1.00 1.57 C ATOM 1628 CD1 LEU A 102 -11.530 2.003 1.770 1.00 3.70 C ATOM 1629 CD2 LEU A 102 -10.355 3.975 0.810 1.00 2.84 C ATOM 0 H LEU A 102 -6.955 2.052 4.067 1.00 0.64 H new ATOM 0 HA LEU A 102 -9.812 1.184 4.068 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -9.761 3.494 3.385 1.00 0.67 H new ATOM 0 HB3 LEU A 102 -8.328 3.244 2.408 1.00 0.67 H new ATOM 0 HG LEU A 102 -9.627 1.900 0.823 1.00 1.57 H new ATOM 0 HD11 LEU A 102 -12.092 1.907 0.841 1.00 3.70 H new ATOM 0 HD12 LEU A 102 -11.410 1.020 2.225 1.00 3.70 H new ATOM 0 HD13 LEU A 102 -12.070 2.656 2.455 1.00 3.70 H new ATOM 0 HD21 LEU A 102 -10.979 3.861 -0.076 1.00 2.84 H new ATOM 0 HD22 LEU A 102 -10.843 4.649 1.514 1.00 2.84 H new ATOM 0 HD23 LEU A 102 -9.389 4.389 0.522 1.00 2.84 H new ATOM 1641 N GLY A 103 -9.341 -0.607 2.431 1.00 0.47 N ATOM 1642 CA GLY A 103 -9.099 -1.766 1.560 1.00 0.47 C ATOM 1643 C GLY A 103 -9.884 -1.703 0.250 1.00 2.26 C ATOM 1644 O GLY A 103 -11.105 -1.551 0.247 1.00 2.81 O ATOM 0 H GLY A 103 -10.285 -0.592 2.818 1.00 0.47 H new ATOM 0 HA2 GLY A 103 -8.034 -1.829 1.336 1.00 0.47 H new ATOM 0 HA3 GLY A 103 -9.367 -2.677 2.094 1.00 0.47 H new ATOM 1648 N LEU A 104 -9.162 -1.855 -0.863 1.00 0.44 N ATOM 1649 CA LEU A 104 -9.671 -1.814 -2.231 1.00 0.45 C ATOM 1650 C LEU A 104 -9.473 -3.170 -2.922 1.00 4.74 C ATOM 1651 O LEU A 104 -8.376 -3.721 -3.009 1.00 5.63 O ATOM 1652 CB LEU A 104 -8.973 -0.687 -3.013 1.00 0.51 C ATOM 1653 CG LEU A 104 -9.079 0.726 -2.403 1.00 1.48 C ATOM 1654 CD1 LEU A 104 -8.364 1.731 -3.320 1.00 5.15 C ATOM 1655 CD2 LEU A 104 -10.528 1.191 -2.197 1.00 2.78 C ATOM 0 H LEU A 104 -8.156 -2.018 -0.830 1.00 0.44 H new ATOM 0 HA LEU A 104 -10.741 -1.608 -2.206 1.00 0.45 H new ATOM 0 HB2 LEU A 104 -7.917 -0.940 -3.112 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -9.390 -0.659 -4.020 1.00 0.51 H new ATOM 0 HG LEU A 104 -8.610 0.679 -1.420 1.00 1.48 H new ATOM 0 HD11 LEU A 104 -8.437 2.731 -2.891 1.00 5.15 H new ATOM 0 HD12 LEU A 104 -7.314 1.453 -3.416 1.00 5.15 H new ATOM 0 HD13 LEU A 104 -8.833 1.723 -4.304 1.00 5.15 H new ATOM 0 HD21 LEU A 104 -10.531 2.192 -1.765 1.00 2.78 H new ATOM 0 HD22 LEU A 104 -11.044 1.208 -3.157 1.00 2.78 H new ATOM 0 HD23 LEU A 104 -11.038 0.503 -1.523 1.00 2.78 H new ATOM 1667 N SER A 105 -10.572 -3.735 -3.399 1.00 0.44 N ATOM 1668 CA SER A 105 -10.586 -4.879 -4.302 1.00 0.48 C ATOM 1669 C SER A 105 -11.812 -4.777 -5.213 1.00 3.30 C ATOM 1670 O SER A 105 -12.756 -4.056 -4.883 1.00 2.98 O ATOM 1671 CB SER A 105 -10.592 -6.172 -3.494 1.00 0.61 C ATOM 1672 OG SER A 105 -10.262 -7.287 -4.298 1.00 3.24 O ATOM 0 H SER A 105 -11.506 -3.401 -3.162 1.00 0.44 H new ATOM 0 HA SER A 105 -9.692 -4.883 -4.925 1.00 0.48 H new ATOM 0 HB2 SER A 105 -9.881 -6.092 -2.672 1.00 0.61 H new ATOM 0 HB3 SER A 105 -11.577 -6.321 -3.051 1.00 0.61 H new ATOM 0 HG SER A 105 -10.674 -8.094 -3.924 1.00 3.24 H new ATOM 1678 N GLY A 106 -11.846 -5.510 -6.322 1.00 0.81 N ATOM 1679 CA GLY A 106 -12.911 -5.360 -7.307 1.00 0.92 C ATOM 1680 C GLY A 106 -12.684 -6.138 -8.584 1.00 2.01 C ATOM 1681 O GLY A 106 -12.111 -7.228 -8.576 1.00 3.49 O ATOM 0 H GLY A 106 -11.148 -6.214 -6.561 1.00 0.81 H new ATOM 0 HA2 GLY A 106 -13.852 -5.681 -6.861 1.00 0.92 H new ATOM 0 HA3 GLY A 106 -13.019 -4.303 -7.552 1.00 0.92 H new ATOM 1685 N SER A 107 -13.135 -5.563 -9.689 1.00 0.80 N ATOM 1686 CA SER A 107 -12.871 -6.075 -11.028 1.00 0.78 C ATOM 1687 C SER A 107 -11.363 -6.325 -11.271 1.00 3.23 C ATOM 1688 O SER A 107 -10.520 -5.474 -10.928 1.00 3.86 O ATOM 1689 CB SER A 107 -13.472 -5.136 -12.082 1.00 0.89 C ATOM 1690 OG SER A 107 -12.900 -3.843 -12.027 1.00 2.94 O ATOM 0 H SER A 107 -13.703 -4.716 -9.682 1.00 0.80 H new ATOM 0 HA SER A 107 -13.357 -7.046 -11.118 1.00 0.78 H new ATOM 0 HB2 SER A 107 -13.318 -5.559 -13.075 1.00 0.89 H new ATOM 0 HB3 SER A 107 -14.549 -5.063 -11.931 1.00 0.89 H new ATOM 0 HG SER A 107 -13.352 -3.315 -11.336 1.00 2.94 H new ATOM 1696 N PRO A 108 -10.996 -7.483 -11.865 1.00 0.88 N ATOM 1697 CA PRO A 108 -9.601 -7.852 -12.054 1.00 3.23 C ATOM 1698 C PRO A 108 -8.892 -6.901 -13.021 1.00 2.64 C ATOM 1699 O PRO A 108 -7.693 -6.707 -12.858 1.00 3.70 O ATOM 1700 CB PRO A 108 -9.600 -9.307 -12.530 1.00 3.62 C ATOM 1701 CG PRO A 108 -10.973 -9.492 -13.168 1.00 2.57 C ATOM 1702 CD PRO A 108 -11.868 -8.534 -12.380 1.00 0.96 C ATOM 0 HA PRO A 108 -9.036 -7.766 -11.126 1.00 3.23 H new ATOM 0 HB2 PRO A 108 -8.800 -9.491 -13.247 1.00 3.62 H new ATOM 0 HB3 PRO A 108 -9.450 -9.998 -11.700 1.00 3.62 H new ATOM 0 HG2 PRO A 108 -10.958 -9.245 -14.230 1.00 2.57 H new ATOM 0 HG3 PRO A 108 -11.318 -10.523 -13.085 1.00 2.57 H new ATOM 0 HD2 PRO A 108 -12.645 -8.115 -13.019 1.00 0.96 H new ATOM 0 HD3 PRO A 108 -12.371 -9.055 -11.565 1.00 0.96 H new ATOM 1710 N GLU A 109 -9.618 -6.264 -13.949 1.00 0.90 N ATOM 1711 CA GLU A 109 -9.158 -5.150 -14.781 1.00 0.90 C ATOM 1712 C GLU A 109 -8.818 -3.902 -13.949 1.00 4.51 C ATOM 1713 O GLU A 109 -7.751 -3.322 -14.129 1.00 5.09 O ATOM 1714 CB GLU A 109 -10.233 -4.785 -15.824 1.00 1.07 C ATOM 1715 CG GLU A 109 -10.459 -5.839 -16.923 1.00 2.72 C ATOM 1716 CD GLU A 109 -11.028 -7.166 -16.415 1.00 5.70 C ATOM 1717 OE1 GLU A 109 -11.789 -7.139 -15.419 1.00 3.60 O ATOM 1718 OE2 GLU A 109 -10.667 -8.205 -17.006 1.00 4.52 O ATOM 0 H GLU A 109 -10.584 -6.524 -14.147 1.00 0.90 H new ATOM 0 HA GLU A 109 -8.247 -5.481 -15.280 1.00 0.90 H new ATOM 0 HB2 GLU A 109 -11.177 -4.614 -15.306 1.00 1.07 H new ATOM 0 HB3 GLU A 109 -9.954 -3.843 -16.297 1.00 1.07 H new ATOM 0 HG2 GLU A 109 -11.138 -5.428 -17.670 1.00 2.72 H new ATOM 0 HG3 GLU A 109 -9.511 -6.032 -17.426 1.00 2.72 H new ATOM 1725 N ALA A 110 -9.667 -3.475 -13.004 1.00 0.77 N ATOM 1726 CA ALA A 110 -9.333 -2.339 -12.136 1.00 0.68 C ATOM 1727 C ALA A 110 -8.120 -2.665 -11.253 1.00 2.94 C ATOM 1728 O ALA A 110 -7.158 -1.892 -11.208 1.00 3.90 O ATOM 1729 CB ALA A 110 -10.564 -1.943 -11.317 1.00 0.70 C ATOM 0 H ALA A 110 -10.579 -3.894 -12.823 1.00 0.77 H new ATOM 0 HA ALA A 110 -9.048 -1.482 -12.747 1.00 0.68 H new ATOM 0 HB1 ALA A 110 -10.316 -1.100 -10.672 1.00 0.70 H new ATOM 0 HB2 ALA A 110 -11.373 -1.660 -11.990 1.00 0.70 H new ATOM 0 HB3 ALA A 110 -10.880 -2.787 -10.704 1.00 0.70 H new ATOM 1735 N VAL A 111 -8.116 -3.856 -10.643 1.00 0.69 N ATOM 1736 CA VAL A 111 -6.956 -4.376 -9.885 1.00 0.70 C ATOM 1737 C VAL A 111 -5.689 -4.416 -10.764 1.00 3.92 C ATOM 1738 O VAL A 111 -4.595 -4.079 -10.297 1.00 4.65 O ATOM 1739 CB VAL A 111 -7.271 -5.765 -9.273 1.00 0.74 C ATOM 1740 CG1 VAL A 111 -6.040 -6.448 -8.654 1.00 1.08 C ATOM 1741 CG2 VAL A 111 -8.354 -5.650 -8.182 1.00 3.13 C ATOM 0 H VAL A 111 -8.914 -4.492 -10.657 1.00 0.69 H new ATOM 0 HA VAL A 111 -6.757 -3.691 -9.060 1.00 0.70 H new ATOM 0 HB VAL A 111 -7.621 -6.377 -10.104 1.00 0.74 H new ATOM 0 HG11 VAL A 111 -6.329 -7.416 -8.244 1.00 1.08 H new ATOM 0 HG12 VAL A 111 -5.279 -6.592 -9.421 1.00 1.08 H new ATOM 0 HG13 VAL A 111 -5.638 -5.821 -7.858 1.00 1.08 H new ATOM 0 HG21 VAL A 111 -8.559 -6.637 -7.767 1.00 3.13 H new ATOM 0 HG22 VAL A 111 -8.003 -4.989 -7.390 1.00 3.13 H new ATOM 0 HG23 VAL A 111 -9.267 -5.243 -8.617 1.00 3.13 H new ATOM 1751 N ARG A 112 -5.840 -4.755 -12.054 1.00 0.73 N ATOM 1752 CA ARG A 112 -4.765 -4.730 -13.041 1.00 0.75 C ATOM 1753 C ARG A 112 -4.185 -3.332 -13.213 1.00 7.20 C ATOM 1754 O ARG A 112 -2.968 -3.187 -13.092 1.00 7.90 O ATOM 1755 CB ARG A 112 -5.222 -5.283 -14.386 1.00 0.82 C ATOM 1756 CG ARG A 112 -3.977 -5.525 -15.229 1.00 3.07 C ATOM 1757 CD ARG A 112 -4.424 -5.949 -16.604 1.00 3.97 C ATOM 1758 NE ARG A 112 -3.254 -6.030 -17.481 1.00 4.93 N ATOM 1759 CZ ARG A 112 -3.092 -6.766 -18.560 1.00 4.65 C ATOM 1760 NH1 ARG A 112 -4.052 -7.513 -19.067 1.00 4.23 N ATOM 1761 NH2 ARG A 112 -1.910 -6.737 -19.130 1.00 4.11 N ATOM 0 H ARG A 112 -6.733 -5.059 -12.441 1.00 0.73 H new ATOM 0 HA ARG A 112 -3.976 -5.377 -12.657 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -5.779 -6.210 -14.250 1.00 0.82 H new ATOM 0 HB3 ARG A 112 -5.890 -4.580 -14.883 1.00 0.82 H new ATOM 0 HG2 ARG A 112 -3.373 -4.619 -15.286 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -3.353 -6.296 -14.776 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -4.926 -6.915 -16.556 1.00 3.97 H new ATOM 0 HD3 ARG A 112 -5.145 -5.235 -17.003 1.00 3.97 H new ATOM 0 HE ARG A 112 -2.463 -5.440 -17.222 1.00 4.93 H new ATOM 0 HH11 ARG A 112 -4.969 -7.537 -18.621 1.00 4.23 H new ATOM 0 HH12 ARG A 112 -3.878 -8.067 -19.906 1.00 4.23 H new ATOM 0 HH21 ARG A 112 -1.167 -6.161 -18.734 1.00 4.11 H new ATOM 0 HH22 ARG A 112 -1.735 -7.290 -19.969 1.00 4.11 H new ATOM 1775 N GLU A 113 -4.999 -2.309 -13.469 1.00 0.69 N ATOM 1776 CA GLU A 113 -4.447 -1.002 -13.844 1.00 0.68 C ATOM 1777 C GLU A 113 -3.693 -0.326 -12.690 1.00 4.27 C ATOM 1778 O GLU A 113 -2.656 0.297 -12.919 1.00 5.31 O ATOM 1779 CB GLU A 113 -5.494 -0.107 -14.496 1.00 0.82 C ATOM 1780 CG GLU A 113 -6.057 -0.739 -15.777 1.00 2.99 C ATOM 1781 CD GLU A 113 -5.016 -1.435 -16.670 1.00 4.67 C ATOM 1782 OE1 GLU A 113 -4.371 -0.732 -17.473 1.00 4.53 O ATOM 1783 OE2 GLU A 113 -4.824 -2.663 -16.513 1.00 4.60 O ATOM 0 H GLU A 113 -6.017 -2.353 -13.426 1.00 0.69 H new ATOM 0 HA GLU A 113 -3.692 -1.183 -14.609 1.00 0.68 H new ATOM 0 HB2 GLU A 113 -6.306 0.076 -13.792 1.00 0.82 H new ATOM 0 HB3 GLU A 113 -5.051 0.861 -14.731 1.00 0.82 H new ATOM 0 HG2 GLU A 113 -6.820 -1.466 -15.500 1.00 2.99 H new ATOM 0 HG3 GLU A 113 -6.553 0.037 -16.360 1.00 2.99 H new ATOM 1790 N ALA A 114 -4.103 -0.547 -11.437 1.00 0.59 N ATOM 1791 CA ALA A 114 -3.299 -0.179 -10.268 1.00 0.59 C ATOM 1792 C ALA A 114 -1.923 -0.863 -10.255 1.00 2.98 C ATOM 1793 O ALA A 114 -0.902 -0.201 -10.071 1.00 3.66 O ATOM 1794 CB ALA A 114 -4.117 -0.504 -9.017 1.00 0.65 C ATOM 0 H ALA A 114 -4.996 -0.983 -11.206 1.00 0.59 H new ATOM 0 HA ALA A 114 -3.078 0.888 -10.302 1.00 0.59 H new ATOM 0 HB1 ALA A 114 -3.543 -0.240 -8.128 1.00 0.65 H new ATOM 0 HB2 ALA A 114 -5.046 0.066 -9.031 1.00 0.65 H new ATOM 0 HB3 ALA A 114 -4.345 -1.570 -8.998 1.00 0.65 H new ATOM 1800 N ALA A 115 -1.874 -2.175 -10.497 1.00 0.53 N ATOM 1801 CA ALA A 115 -0.629 -2.935 -10.559 1.00 0.52 C ATOM 1802 C ALA A 115 0.273 -2.490 -11.725 1.00 2.95 C ATOM 1803 O ALA A 115 1.467 -2.253 -11.524 1.00 3.88 O ATOM 1804 CB ALA A 115 -0.991 -4.419 -10.664 1.00 0.57 C ATOM 0 H ALA A 115 -2.706 -2.742 -10.657 1.00 0.53 H new ATOM 0 HA ALA A 115 -0.048 -2.751 -9.655 1.00 0.52 H new ATOM 0 HB1 ALA A 115 -0.079 -5.014 -10.712 1.00 0.57 H new ATOM 0 HB2 ALA A 115 -1.571 -4.715 -9.790 1.00 0.57 H new ATOM 0 HB3 ALA A 115 -1.581 -4.587 -11.565 1.00 0.57 H new ATOM 1810 N GLN A 116 -0.306 -2.313 -12.917 1.00 0.59 N ATOM 1811 CA GLN A 116 0.348 -1.778 -14.118 1.00 0.76 C ATOM 1812 C GLN A 116 1.000 -0.414 -13.840 1.00 4.59 C ATOM 1813 O GLN A 116 2.131 -0.189 -14.269 1.00 5.87 O ATOM 1814 CB GLN A 116 -0.690 -1.617 -15.243 1.00 1.06 C ATOM 1815 CG GLN A 116 -1.267 -2.936 -15.804 1.00 2.96 C ATOM 1816 CD GLN A 116 -0.563 -3.564 -17.011 1.00 5.33 C ATOM 1817 OE1 GLN A 116 -0.695 -4.750 -17.299 1.00 3.94 O ATOM 1818 NE2 GLN A 116 0.193 -2.826 -17.792 1.00 2.44 N ATOM 0 H GLN A 116 -1.285 -2.548 -13.079 1.00 0.59 H new ATOM 0 HA GLN A 116 1.126 -2.480 -14.418 1.00 0.76 H new ATOM 0 HB2 GLN A 116 -1.514 -1.009 -14.870 1.00 1.06 H new ATOM 0 HB3 GLN A 116 -0.231 -1.063 -16.062 1.00 1.06 H new ATOM 0 HG2 GLN A 116 -1.271 -3.670 -14.998 1.00 2.96 H new ATOM 0 HG3 GLN A 116 -2.307 -2.758 -16.077 1.00 2.96 H new ATOM 0 HE21 GLN A 116 0.327 -1.836 -17.585 1.00 2.44 H new ATOM 0 HE22 GLN A 116 0.646 -3.243 -18.605 1.00 2.44 H new ATOM 1827 N THR A 117 0.298 0.457 -13.098 1.00 0.72 N ATOM 1828 CA THR A 117 0.704 1.842 -12.785 1.00 0.81 C ATOM 1829 C THR A 117 1.991 1.867 -11.978 1.00 3.47 C ATOM 1830 O THR A 117 2.928 2.591 -12.324 1.00 4.99 O ATOM 1831 CB THR A 117 -0.434 2.561 -12.036 1.00 1.07 C ATOM 1832 OG1 THR A 117 -1.529 2.691 -12.903 1.00 2.95 O ATOM 1833 CG2 THR A 117 -0.079 3.975 -11.584 1.00 1.32 C ATOM 0 H THR A 117 -0.601 0.210 -12.683 1.00 0.72 H new ATOM 0 HA THR A 117 0.897 2.369 -13.719 1.00 0.81 H new ATOM 0 HB THR A 117 -0.642 1.957 -11.153 1.00 1.07 H new ATOM 0 HG1 THR A 117 -2.117 1.913 -12.807 1.00 2.95 H new ATOM 0 HG21 THR A 117 -0.930 4.415 -11.065 1.00 1.32 H new ATOM 0 HG22 THR A 117 0.777 3.938 -10.911 1.00 1.32 H new ATOM 0 HG23 THR A 117 0.170 4.583 -12.454 1.00 1.32 H new ATOM 1841 N PHE A 118 2.038 1.111 -10.884 1.00 0.65 N ATOM 1842 CA PHE A 118 3.219 0.966 -10.032 1.00 0.69 C ATOM 1843 C PHE A 118 4.339 0.072 -10.591 1.00 6.80 C ATOM 1844 O PHE A 118 5.473 0.186 -10.131 1.00 5.17 O ATOM 1845 CB PHE A 118 2.750 0.524 -8.647 1.00 0.73 C ATOM 1846 CG PHE A 118 2.038 1.641 -7.914 1.00 2.71 C ATOM 1847 CD1 PHE A 118 2.751 2.789 -7.518 1.00 2.80 C ATOM 1848 CD2 PHE A 118 0.653 1.573 -7.696 1.00 2.59 C ATOM 1849 CE1 PHE A 118 2.080 3.857 -6.903 1.00 2.00 C ATOM 1850 CE2 PHE A 118 -0.016 2.644 -7.091 1.00 3.84 C ATOM 1851 CZ PHE A 118 0.696 3.784 -6.682 1.00 6.29 C ATOM 0 H PHE A 118 1.238 0.569 -10.556 1.00 0.65 H new ATOM 0 HA PHE A 118 3.706 1.940 -9.983 1.00 0.69 H new ATOM 0 HB2 PHE A 118 2.081 -0.331 -8.745 1.00 0.73 H new ATOM 0 HB3 PHE A 118 3.607 0.193 -8.061 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.816 2.848 -7.688 1.00 2.80 H new ATOM 0 HD2 PHE A 118 0.103 0.693 -7.995 1.00 2.59 H new ATOM 0 HE1 PHE A 118 2.629 4.736 -6.599 1.00 2.00 H new ATOM 0 HE2 PHE A 118 -1.084 2.594 -6.938 1.00 3.84 H new ATOM 0 HZ PHE A 118 0.180 4.601 -6.199 1.00 6.29 H new ATOM 1861 N GLY A 119 4.045 -0.805 -11.561 1.00 0.70 N ATOM 1862 CA GLY A 119 4.985 -1.819 -12.068 1.00 0.75 C ATOM 1863 C GLY A 119 4.937 -3.143 -11.307 1.00 2.00 C ATOM 1864 O GLY A 119 5.910 -3.889 -11.323 1.00 2.59 O ATOM 0 H GLY A 119 3.136 -0.832 -12.023 1.00 0.70 H new ATOM 0 HA2 GLY A 119 4.768 -2.008 -13.120 1.00 0.75 H new ATOM 0 HA3 GLY A 119 5.998 -1.419 -12.018 1.00 0.75 H new ATOM 1868 N VAL A 120 3.815 -3.441 -10.649 1.00 0.56 N ATOM 1869 CA VAL A 120 3.557 -4.716 -9.965 1.00 0.54 C ATOM 1870 C VAL A 120 3.178 -5.767 -11.005 1.00 4.45 C ATOM 1871 O VAL A 120 2.246 -5.579 -11.789 1.00 5.22 O ATOM 1872 CB VAL A 120 2.439 -4.573 -8.908 1.00 0.64 C ATOM 1873 CG1 VAL A 120 1.840 -5.906 -8.411 1.00 0.93 C ATOM 1874 CG2 VAL A 120 2.937 -3.744 -7.717 1.00 2.83 C ATOM 0 H VAL A 120 3.037 -2.786 -10.573 1.00 0.56 H new ATOM 0 HA VAL A 120 4.461 -5.024 -9.440 1.00 0.54 H new ATOM 0 HB VAL A 120 1.624 -4.060 -9.419 1.00 0.64 H new ATOM 0 HG11 VAL A 120 1.064 -5.703 -7.673 1.00 0.93 H new ATOM 0 HG12 VAL A 120 1.407 -6.447 -9.253 1.00 0.93 H new ATOM 0 HG13 VAL A 120 2.625 -6.510 -7.956 1.00 0.93 H new ATOM 0 HG21 VAL A 120 2.140 -3.651 -6.980 1.00 2.83 H new ATOM 0 HG22 VAL A 120 3.795 -4.239 -7.263 1.00 2.83 H new ATOM 0 HG23 VAL A 120 3.230 -2.752 -8.061 1.00 2.83 H new ATOM 1884 N PHE A 121 3.888 -6.892 -10.966 1.00 0.87 N ATOM 1885 CA PHE A 121 3.596 -8.090 -11.742 1.00 0.93 C ATOM 1886 C PHE A 121 2.970 -9.150 -10.828 1.00 5.34 C ATOM 1887 O PHE A 121 3.468 -9.430 -9.732 1.00 3.61 O ATOM 1888 CB PHE A 121 4.871 -8.569 -12.459 1.00 0.97 C ATOM 1889 CG PHE A 121 6.135 -8.597 -11.615 1.00 2.28 C ATOM 1890 CD1 PHE A 121 6.914 -7.427 -11.478 1.00 2.46 C ATOM 1891 CD2 PHE A 121 6.531 -9.780 -10.964 1.00 2.78 C ATOM 1892 CE1 PHE A 121 8.078 -7.445 -10.689 1.00 2.25 C ATOM 1893 CE2 PHE A 121 7.697 -9.798 -10.179 1.00 4.43 C ATOM 1894 CZ PHE A 121 8.472 -8.630 -10.042 1.00 5.84 C ATOM 0 H PHE A 121 4.711 -6.996 -10.372 1.00 0.87 H new ATOM 0 HA PHE A 121 2.865 -7.878 -12.523 1.00 0.93 H new ATOM 0 HB2 PHE A 121 4.693 -9.573 -12.845 1.00 0.97 H new ATOM 0 HB3 PHE A 121 5.046 -7.923 -13.319 1.00 0.97 H new ATOM 0 HD1 PHE A 121 6.616 -6.518 -11.979 1.00 2.46 H new ATOM 0 HD2 PHE A 121 5.938 -10.676 -11.068 1.00 2.78 H new ATOM 0 HE1 PHE A 121 8.670 -6.548 -10.580 1.00 2.25 H new ATOM 0 HE2 PHE A 121 7.999 -10.708 -9.681 1.00 4.43 H new ATOM 0 HZ PHE A 121 9.369 -8.644 -9.440 1.00 5.84 H new ATOM 1904 N TYR A 122 1.852 -9.722 -11.280 1.00 0.84 N ATOM 1905 CA TYR A 122 1.062 -10.713 -10.542 1.00 0.86 C ATOM 1906 C TYR A 122 0.521 -11.817 -11.468 1.00 2.84 C ATOM 1907 O TYR A 122 0.218 -11.566 -12.636 1.00 4.30 O ATOM 1908 CB TYR A 122 -0.040 -10.021 -9.715 1.00 1.08 C ATOM 1909 CG TYR A 122 -1.231 -9.478 -10.489 1.00 2.40 C ATOM 1910 CD1 TYR A 122 -1.077 -8.377 -11.357 1.00 4.36 C ATOM 1911 CD2 TYR A 122 -2.508 -10.052 -10.313 1.00 1.84 C ATOM 1912 CE1 TYR A 122 -2.180 -7.880 -12.075 1.00 2.83 C ATOM 1913 CE2 TYR A 122 -3.620 -9.544 -11.014 1.00 1.47 C ATOM 1914 CZ TYR A 122 -3.455 -8.462 -11.907 1.00 2.24 C ATOM 1915 OH TYR A 122 -4.511 -7.973 -12.607 1.00 3.06 O ATOM 0 H TYR A 122 1.459 -9.503 -12.195 1.00 0.84 H new ATOM 0 HA TYR A 122 1.718 -11.220 -9.835 1.00 0.86 H new ATOM 0 HB2 TYR A 122 -0.409 -10.732 -8.976 1.00 1.08 H new ATOM 0 HB3 TYR A 122 0.414 -9.197 -9.165 1.00 1.08 H new ATOM 0 HD1 TYR A 122 -0.108 -7.914 -11.471 1.00 4.36 H new ATOM 0 HD2 TYR A 122 -2.634 -10.885 -9.637 1.00 1.84 H new ATOM 0 HE1 TYR A 122 -2.051 -7.052 -12.756 1.00 2.83 H new ATOM 0 HE2 TYR A 122 -4.597 -9.981 -10.869 1.00 1.47 H new ATOM 0 HH TYR A 122 -5.317 -8.482 -12.381 1.00 3.06 H new ATOM 1925 N GLN A 123 0.462 -13.049 -10.962 1.00 0.99 N ATOM 1926 CA GLN A 123 0.070 -14.261 -11.685 1.00 1.11 C ATOM 1927 C GLN A 123 -0.741 -15.177 -10.754 1.00 5.59 C ATOM 1928 O GLN A 123 -0.928 -14.871 -9.583 1.00 7.42 O ATOM 1929 CB GLN A 123 1.293 -15.061 -12.193 1.00 1.23 C ATOM 1930 CG GLN A 123 2.570 -14.292 -12.568 1.00 3.35 C ATOM 1931 CD GLN A 123 3.661 -15.240 -13.070 1.00 4.99 C ATOM 1932 OE1 GLN A 123 4.182 -15.094 -14.165 1.00 3.11 O ATOM 1933 NE2 GLN A 123 4.037 -16.263 -12.327 1.00 2.55 N ATOM 0 H GLN A 123 0.698 -13.239 -9.988 1.00 0.99 H new ATOM 0 HA GLN A 123 -0.521 -13.943 -12.544 1.00 1.11 H new ATOM 0 HB2 GLN A 123 1.557 -15.786 -11.423 1.00 1.23 H new ATOM 0 HB3 GLN A 123 0.978 -15.627 -13.070 1.00 1.23 H new ATOM 0 HG2 GLN A 123 2.341 -13.556 -13.339 1.00 3.35 H new ATOM 0 HG3 GLN A 123 2.934 -13.742 -11.700 1.00 3.35 H new ATOM 0 HE21 GLN A 123 3.618 -16.408 -11.409 1.00 2.55 H new ATOM 0 HE22 GLN A 123 4.747 -16.909 -12.671 1.00 2.55 H new ATOM 1942 N LYS A 124 -1.124 -16.365 -11.234 1.00 0.97 N ATOM 1943 CA LYS A 124 -1.348 -17.514 -10.348 1.00 0.98 C ATOM 1944 C LYS A 124 -0.795 -18.817 -10.951 1.00 7.20 C ATOM 1945 O LYS A 124 -0.842 -19.036 -12.163 1.00 7.42 O ATOM 1946 CB LYS A 124 -2.804 -17.573 -9.836 1.00 1.24 C ATOM 1947 CG LYS A 124 -3.925 -17.245 -10.835 1.00 2.84 C ATOM 1948 CD LYS A 124 -5.293 -17.117 -10.141 1.00 5.49 C ATOM 1949 CE LYS A 124 -5.298 -16.009 -9.069 1.00 3.54 C ATOM 1950 NZ LYS A 124 -6.654 -15.761 -8.543 1.00 3.77 N ATOM 0 H LYS A 124 -1.285 -16.556 -12.223 1.00 0.97 H new ATOM 0 HA LYS A 124 -0.760 -17.374 -9.441 1.00 0.98 H new ATOM 0 HB2 LYS A 124 -2.983 -18.576 -9.448 1.00 1.24 H new ATOM 0 HB3 LYS A 124 -2.892 -16.885 -8.995 1.00 1.24 H new ATOM 0 HG2 LYS A 124 -3.691 -16.314 -11.350 1.00 2.84 H new ATOM 0 HG3 LYS A 124 -3.975 -18.026 -11.594 1.00 2.84 H new ATOM 0 HD2 LYS A 124 -6.059 -16.903 -10.887 1.00 5.49 H new ATOM 0 HD3 LYS A 124 -5.555 -18.069 -9.679 1.00 5.49 H new ATOM 0 HE2 LYS A 124 -4.637 -16.293 -8.250 1.00 3.54 H new ATOM 0 HE3 LYS A 124 -4.900 -15.089 -9.496 1.00 3.54 H new ATOM 0 HZ1 LYS A 124 -6.591 -15.193 -7.674 1.00 3.77 H new ATOM 0 HZ2 LYS A 124 -7.213 -15.246 -9.253 1.00 3.77 H new ATOM 0 HZ3 LYS A 124 -7.115 -16.669 -8.331 1.00 3.77 H new ATOM 2120 N VAL A 135 -1.305 -17.772 -5.695 1.00 1.49 N ATOM 2121 CA VAL A 135 -1.221 -16.459 -6.355 1.00 1.35 C ATOM 2122 C VAL A 135 0.197 -15.908 -6.193 1.00 3.59 C ATOM 2123 O VAL A 135 0.754 -15.962 -5.096 1.00 4.26 O ATOM 2124 CB VAL A 135 -2.300 -15.478 -5.831 1.00 1.59 C ATOM 2125 CG1 VAL A 135 -2.177 -15.160 -4.329 1.00 2.38 C ATOM 2126 CG2 VAL A 135 -2.338 -14.170 -6.638 1.00 2.62 C ATOM 0 HA VAL A 135 -1.428 -16.580 -7.418 1.00 1.35 H new ATOM 0 HB VAL A 135 -3.241 -16.009 -5.971 1.00 1.59 H new ATOM 0 HG11 VAL A 135 -2.967 -14.467 -4.038 1.00 2.38 H new ATOM 0 HG12 VAL A 135 -2.271 -16.081 -3.753 1.00 2.38 H new ATOM 0 HG13 VAL A 135 -1.206 -14.707 -4.131 1.00 2.38 H new ATOM 0 HG21 VAL A 135 -3.110 -13.515 -6.233 1.00 2.62 H new ATOM 0 HG22 VAL A 135 -1.370 -13.674 -6.572 1.00 2.62 H new ATOM 0 HG23 VAL A 135 -2.562 -14.393 -7.681 1.00 2.62 H new ATOM 2136 N ASP A 136 0.769 -15.396 -7.282 1.00 1.05 N ATOM 2137 CA ASP A 136 2.083 -14.758 -7.312 1.00 1.09 C ATOM 2138 C ASP A 136 1.876 -13.239 -7.360 1.00 3.68 C ATOM 2139 O ASP A 136 1.097 -12.754 -8.179 1.00 4.22 O ATOM 2140 CB ASP A 136 2.872 -15.207 -8.559 1.00 1.52 C ATOM 2141 CG ASP A 136 3.049 -16.726 -8.717 1.00 3.20 C ATOM 2142 OD1 ASP A 136 3.356 -17.411 -7.722 1.00 3.90 O ATOM 2143 OD2 ASP A 136 2.912 -17.207 -9.870 1.00 4.45 O ATOM 0 H ASP A 136 0.316 -15.415 -8.196 1.00 1.05 H new ATOM 0 HA ASP A 136 2.649 -15.042 -6.425 1.00 1.09 H new ATOM 0 HB2 ASP A 136 2.367 -14.823 -9.445 1.00 1.52 H new ATOM 0 HB3 ASP A 136 3.859 -14.745 -8.529 1.00 1.52 H new ATOM 2148 N HIS A 137 2.555 -12.455 -6.520 1.00 0.92 N ATOM 2149 CA HIS A 137 2.507 -10.993 -6.614 1.00 0.93 C ATOM 2150 C HIS A 137 3.836 -10.321 -6.253 1.00 6.01 C ATOM 2151 O HIS A 137 4.669 -10.889 -5.543 1.00 5.12 O ATOM 2152 CB HIS A 137 1.342 -10.439 -5.779 1.00 1.13 C ATOM 2153 CG HIS A 137 1.581 -10.430 -4.289 1.00 3.07 C ATOM 2154 ND1 HIS A 137 1.863 -9.327 -3.514 1.00 3.69 N ATOM 2155 CD2 HIS A 137 1.484 -11.500 -3.440 1.00 2.81 C ATOM 2156 CE1 HIS A 137 1.930 -9.725 -2.235 1.00 4.14 C ATOM 2157 NE2 HIS A 137 1.707 -11.045 -2.136 1.00 3.74 N ATOM 0 H HIS A 137 3.145 -12.808 -5.766 1.00 0.92 H new ATOM 0 HA HIS A 137 2.331 -10.747 -7.661 1.00 0.93 H new ATOM 0 HB2 HIS A 137 1.131 -9.421 -6.105 1.00 1.13 H new ATOM 0 HB3 HIS A 137 0.451 -11.031 -5.986 1.00 1.13 H new ATOM 0 HD2 HIS A 137 1.272 -12.519 -3.727 1.00 2.81 H new ATOM 0 HE1 HIS A 137 2.135 -9.073 -1.399 1.00 4.14 H new ATOM 0 HE2 HIS A 137 1.701 -11.603 -1.282 1.00 3.74 H new ATOM 2166 N THR A 138 4.008 -9.071 -6.694 1.00 0.91 N ATOM 2167 CA THR A 138 5.093 -8.210 -6.219 1.00 0.89 C ATOM 2168 C THR A 138 4.692 -7.695 -4.840 1.00 3.11 C ATOM 2169 O THR A 138 3.794 -6.863 -4.722 1.00 4.51 O ATOM 2170 CB THR A 138 5.354 -7.077 -7.209 1.00 0.97 C ATOM 2171 OG1 THR A 138 5.511 -7.623 -8.494 1.00 2.80 O ATOM 2172 CG2 THR A 138 6.625 -6.303 -6.884 1.00 1.14 C ATOM 0 H THR A 138 3.402 -8.630 -7.386 1.00 0.91 H new ATOM 0 HA THR A 138 6.029 -8.763 -6.142 1.00 0.89 H new ATOM 0 HB THR A 138 4.505 -6.396 -7.151 1.00 0.97 H new ATOM 0 HG1 THR A 138 6.353 -7.306 -8.883 1.00 2.80 H new ATOM 0 HG21 THR A 138 6.765 -5.509 -7.617 1.00 1.14 H new ATOM 0 HG22 THR A 138 6.541 -5.867 -5.889 1.00 1.14 H new ATOM 0 HG23 THR A 138 7.480 -6.979 -6.913 1.00 1.14 H new ATOM 2180 N ALA A 139 5.316 -8.223 -3.785 1.00 0.83 N ATOM 2181 CA ALA A 139 5.098 -7.769 -2.410 1.00 0.85 C ATOM 2182 C ALA A 139 5.876 -6.464 -2.169 1.00 3.59 C ATOM 2183 O ALA A 139 7.054 -6.479 -1.804 1.00 3.67 O ATOM 2184 CB ALA A 139 5.490 -8.897 -1.444 1.00 1.04 C ATOM 0 H ALA A 139 5.992 -8.983 -3.861 1.00 0.83 H new ATOM 0 HA ALA A 139 4.047 -7.542 -2.233 1.00 0.85 H new ATOM 0 HB1 ALA A 139 5.331 -8.568 -0.417 1.00 1.04 H new ATOM 0 HB2 ALA A 139 4.877 -9.776 -1.643 1.00 1.04 H new ATOM 0 HB3 ALA A 139 6.541 -9.149 -1.586 1.00 1.04 H new ATOM 2190 N THR A 140 5.260 -5.319 -2.481 1.00 0.59 N ATOM 2191 CA THR A 140 5.895 -3.989 -2.393 1.00 0.57 C ATOM 2192 C THR A 140 4.894 -2.944 -1.911 1.00 3.60 C ATOM 2193 O THR A 140 3.689 -3.087 -2.120 1.00 4.84 O ATOM 2194 CB THR A 140 6.534 -3.641 -3.746 1.00 0.63 C ATOM 2195 OG1 THR A 140 7.607 -4.535 -3.929 1.00 2.39 O ATOM 2196 CG2 THR A 140 7.134 -2.240 -3.881 1.00 0.80 C ATOM 0 H THR A 140 4.294 -5.284 -2.806 1.00 0.59 H new ATOM 0 HA THR A 140 6.693 -4.002 -1.650 1.00 0.57 H new ATOM 0 HB THR A 140 5.724 -3.701 -4.473 1.00 0.63 H new ATOM 0 HG1 THR A 140 8.045 -4.349 -4.786 1.00 2.39 H new ATOM 0 HG21 THR A 140 7.553 -2.118 -4.880 1.00 0.80 H new ATOM 0 HG22 THR A 140 6.356 -1.494 -3.720 1.00 0.80 H new ATOM 0 HG23 THR A 140 7.922 -2.108 -3.139 1.00 0.80 H new ATOM 2204 N THR A 141 5.414 -1.908 -1.247 1.00 0.55 N ATOM 2205 CA THR A 141 4.711 -0.693 -0.836 1.00 0.60 C ATOM 2206 C THR A 141 5.263 0.482 -1.640 1.00 3.66 C ATOM 2207 O THR A 141 6.458 0.549 -1.932 1.00 4.68 O ATOM 2208 CB THR A 141 4.850 -0.415 0.670 1.00 0.79 C ATOM 2209 OG1 THR A 141 4.809 -1.612 1.405 1.00 2.38 O ATOM 2210 CG2 THR A 141 3.727 0.480 1.201 1.00 1.28 C ATOM 0 H THR A 141 6.395 -1.896 -0.966 1.00 0.55 H new ATOM 0 HA THR A 141 3.647 -0.829 -1.032 1.00 0.60 H new ATOM 0 HB THR A 141 5.809 0.089 0.793 1.00 0.79 H new ATOM 0 HG1 THR A 141 4.901 -1.413 2.360 1.00 2.38 H new ATOM 0 HG21 THR A 141 3.869 0.647 2.269 1.00 1.28 H new ATOM 0 HG22 THR A 141 3.746 1.436 0.678 1.00 1.28 H new ATOM 0 HG23 THR A 141 2.765 -0.006 1.035 1.00 1.28 H new ATOM 2218 N PHE A 142 4.393 1.420 -1.995 1.00 0.61 N ATOM 2219 CA PHE A 142 4.688 2.536 -2.886 1.00 0.59 C ATOM 2220 C PHE A 142 4.351 3.857 -2.185 1.00 6.80 C ATOM 2221 O PHE A 142 3.213 4.041 -1.750 1.00 5.24 O ATOM 2222 CB PHE A 142 3.853 2.338 -4.165 1.00 0.61 C ATOM 2223 CG PHE A 142 4.179 1.056 -4.911 1.00 2.62 C ATOM 2224 CD1 PHE A 142 5.230 1.035 -5.840 1.00 2.83 C ATOM 2225 CD2 PHE A 142 3.457 -0.126 -4.653 1.00 2.67 C ATOM 2226 CE1 PHE A 142 5.597 -0.167 -6.473 1.00 4.34 C ATOM 2227 CE2 PHE A 142 3.811 -1.325 -5.297 1.00 2.04 C ATOM 2228 CZ PHE A 142 4.890 -1.349 -6.196 1.00 6.40 C ATOM 0 H PHE A 142 3.430 1.425 -1.659 1.00 0.61 H new ATOM 0 HA PHE A 142 5.746 2.571 -3.147 1.00 0.59 H new ATOM 0 HB2 PHE A 142 2.795 2.336 -3.902 1.00 0.61 H new ATOM 0 HB3 PHE A 142 4.015 3.187 -4.830 1.00 0.61 H new ATOM 0 HD1 PHE A 142 5.761 1.947 -6.071 1.00 2.83 H new ATOM 0 HD2 PHE A 142 2.630 -0.111 -3.959 1.00 2.67 H new ATOM 0 HE1 PHE A 142 6.421 -0.181 -7.171 1.00 4.34 H new ATOM 0 HE2 PHE A 142 3.253 -2.228 -5.100 1.00 2.04 H new ATOM 0 HZ PHE A 142 5.176 -2.275 -6.674 1.00 6.40 H new ATOM 2238 N VAL A 143 5.319 4.776 -2.069 1.00 0.51 N ATOM 2239 CA VAL A 143 5.118 6.060 -1.379 1.00 0.49 C ATOM 2240 C VAL A 143 4.937 7.164 -2.407 1.00 4.37 C ATOM 2241 O VAL A 143 5.831 7.435 -3.210 1.00 4.95 O ATOM 2242 CB VAL A 143 6.261 6.412 -0.412 1.00 0.52 C ATOM 2243 CG1 VAL A 143 5.968 7.724 0.333 1.00 0.62 C ATOM 2244 CG2 VAL A 143 6.429 5.298 0.627 1.00 2.97 C ATOM 0 H VAL A 143 6.258 4.653 -2.448 1.00 0.51 H new ATOM 0 HA VAL A 143 4.220 5.962 -0.769 1.00 0.49 H new ATOM 0 HB VAL A 143 7.171 6.525 -1.001 1.00 0.52 H new ATOM 0 HG11 VAL A 143 6.792 7.950 1.010 1.00 0.62 H new ATOM 0 HG12 VAL A 143 5.858 8.535 -0.387 1.00 0.62 H new ATOM 0 HG13 VAL A 143 5.046 7.619 0.905 1.00 0.62 H new ATOM 0 HG21 VAL A 143 7.240 5.555 1.308 1.00 2.97 H new ATOM 0 HG22 VAL A 143 5.504 5.185 1.192 1.00 2.97 H new ATOM 0 HG23 VAL A 143 6.663 4.361 0.121 1.00 2.97 H new ATOM 2254 N VAL A 144 3.764 7.785 -2.370 1.00 0.52 N ATOM 2255 CA VAL A 144 3.286 8.780 -3.350 1.00 0.54 C ATOM 2256 C VAL A 144 2.943 10.110 -2.664 1.00 4.11 C ATOM 2257 O VAL A 144 2.258 10.081 -1.649 1.00 4.48 O ATOM 2258 CB VAL A 144 2.023 8.237 -4.064 1.00 0.57 C ATOM 2259 CG1 VAL A 144 1.381 9.238 -5.045 1.00 1.43 C ATOM 2260 CG2 VAL A 144 2.342 6.944 -4.838 1.00 2.67 C ATOM 0 H VAL A 144 3.085 7.609 -1.630 1.00 0.52 H new ATOM 0 HA VAL A 144 4.082 8.956 -4.074 1.00 0.54 H new ATOM 0 HB VAL A 144 1.308 8.048 -3.264 1.00 0.57 H new ATOM 0 HG11 VAL A 144 0.503 8.785 -5.505 1.00 1.43 H new ATOM 0 HG12 VAL A 144 1.084 10.137 -4.505 1.00 1.43 H new ATOM 0 HG13 VAL A 144 2.101 9.501 -5.820 1.00 1.43 H new ATOM 0 HG21 VAL A 144 1.439 6.583 -5.330 1.00 2.67 H new ATOM 0 HG22 VAL A 144 3.107 7.148 -5.587 1.00 2.67 H new ATOM 0 HG23 VAL A 144 2.706 6.185 -4.145 1.00 2.67 H new ATOM 2270 N LYS A 145 3.349 11.252 -3.244 1.00 0.69 N ATOM 2271 CA LYS A 145 2.886 12.618 -2.912 1.00 0.79 C ATOM 2272 C LYS A 145 2.793 13.503 -4.175 1.00 6.59 C ATOM 2273 O LYS A 145 3.522 13.262 -5.129 1.00 7.38 O ATOM 2274 CB LYS A 145 3.820 13.239 -1.855 1.00 0.86 C ATOM 2275 CG LYS A 145 3.156 14.400 -1.094 1.00 2.66 C ATOM 2276 CD LYS A 145 4.165 15.129 -0.201 1.00 5.16 C ATOM 2277 CE LYS A 145 3.435 16.064 0.770 1.00 3.01 C ATOM 2278 NZ LYS A 145 4.397 16.739 1.668 1.00 3.31 N ATOM 0 H LYS A 145 4.042 11.252 -3.993 1.00 0.69 H new ATOM 0 HA LYS A 145 1.881 12.556 -2.495 1.00 0.79 H new ATOM 0 HB2 LYS A 145 4.123 12.469 -1.145 1.00 0.86 H new ATOM 0 HB3 LYS A 145 4.727 13.599 -2.342 1.00 0.86 H new ATOM 0 HG2 LYS A 145 2.722 15.103 -1.805 1.00 2.66 H new ATOM 0 HG3 LYS A 145 2.338 14.017 -0.484 1.00 2.66 H new ATOM 0 HD2 LYS A 145 4.758 14.404 0.357 1.00 5.16 H new ATOM 0 HD3 LYS A 145 4.859 15.702 -0.816 1.00 5.16 H new ATOM 0 HE2 LYS A 145 2.869 16.808 0.210 1.00 3.01 H new ATOM 0 HE3 LYS A 145 2.717 15.495 1.360 1.00 3.01 H new ATOM 0 HZ1 LYS A 145 3.974 16.846 2.612 1.00 3.31 H new ATOM 0 HZ2 LYS A 145 5.264 16.169 1.739 1.00 3.31 H new ATOM 0 HZ3 LYS A 145 4.630 17.677 1.285 1.00 3.31 H new ATOM 2292 N GLU A 146 1.899 14.500 -4.227 1.00 1.03 N ATOM 2293 CA GLU A 146 1.683 15.385 -5.396 1.00 1.17 C ATOM 2294 C GLU A 146 1.184 14.603 -6.639 1.00 3.78 C ATOM 2295 O GLU A 146 1.414 15.007 -7.781 1.00 4.77 O ATOM 2296 CB GLU A 146 2.931 16.230 -5.749 1.00 1.27 C ATOM 2297 CG GLU A 146 3.465 17.169 -4.659 1.00 2.40 C ATOM 2298 CD GLU A 146 4.713 17.888 -5.187 1.00 5.46 C ATOM 2299 OE1 GLU A 146 4.593 18.690 -6.144 1.00 3.61 O ATOM 2300 OE2 GLU A 146 5.832 17.506 -4.791 1.00 3.55 O ATOM 0 H GLU A 146 1.288 14.725 -3.442 1.00 1.03 H new ATOM 0 HA GLU A 146 0.897 16.078 -5.096 1.00 1.17 H new ATOM 0 HB2 GLU A 146 3.733 15.548 -6.032 1.00 1.27 H new ATOM 0 HB3 GLU A 146 2.697 16.830 -6.629 1.00 1.27 H new ATOM 0 HG2 GLU A 146 2.701 17.895 -4.381 1.00 2.40 H new ATOM 0 HG3 GLU A 146 3.709 16.602 -3.760 1.00 2.40 H new ATOM 2307 N GLY A 147 0.562 13.431 -6.438 1.00 1.01 N ATOM 2308 CA GLY A 147 0.163 12.523 -7.525 1.00 0.99 C ATOM 2309 C GLY A 147 1.329 11.753 -8.161 1.00 2.52 C ATOM 2310 O GLY A 147 1.171 11.191 -9.245 1.00 2.92 O ATOM 0 H GLY A 147 0.320 13.084 -5.510 1.00 1.01 H new ATOM 0 HA2 GLY A 147 -0.562 11.807 -7.138 1.00 0.99 H new ATOM 0 HA3 GLY A 147 -0.342 13.101 -8.299 1.00 0.99 H new ATOM 2314 N ARG A 148 2.508 11.715 -7.521 1.00 0.74 N ATOM 2315 CA ARG A 148 3.698 11.023 -8.030 1.00 0.66 C ATOM 2316 C ARG A 148 4.447 10.211 -6.973 1.00 7.63 C ATOM 2317 O ARG A 148 4.576 10.585 -5.810 1.00 8.19 O ATOM 2318 CB ARG A 148 4.642 12.004 -8.742 1.00 0.80 C ATOM 2319 CG ARG A 148 5.075 13.165 -7.868 1.00 2.74 C ATOM 2320 CD ARG A 148 6.089 14.033 -8.608 1.00 3.34 C ATOM 2321 NE ARG A 148 5.507 15.323 -9.008 1.00 6.12 N ATOM 2322 CZ ARG A 148 5.588 16.441 -8.298 1.00 4.48 C ATOM 2323 NH1 ARG A 148 6.419 16.581 -7.291 1.00 4.15 N ATOM 2324 NH2 ARG A 148 4.782 17.442 -8.552 1.00 3.93 N ATOM 0 H ARG A 148 2.662 12.172 -6.622 1.00 0.74 H new ATOM 0 HA ARG A 148 3.329 10.295 -8.753 1.00 0.66 H new ATOM 0 HB2 ARG A 148 5.526 11.464 -9.081 1.00 0.80 H new ATOM 0 HB3 ARG A 148 4.146 12.393 -9.631 1.00 0.80 H new ATOM 0 HG2 ARG A 148 4.207 13.764 -7.590 1.00 2.74 H new ATOM 0 HG3 ARG A 148 5.513 12.790 -6.943 1.00 2.74 H new ATOM 0 HD2 ARG A 148 6.955 14.206 -7.969 1.00 3.34 H new ATOM 0 HD3 ARG A 148 6.445 13.504 -9.492 1.00 3.34 H new ATOM 0 HE ARG A 148 5.005 15.361 -9.895 1.00 6.12 H new ATOM 0 HH11 ARG A 148 7.035 15.812 -7.028 1.00 4.15 H new ATOM 0 HH12 ARG A 148 6.448 17.459 -6.772 1.00 4.15 H new ATOM 0 HH21 ARG A 148 4.090 17.363 -9.297 1.00 3.93 H new ATOM 0 HH22 ARG A 148 4.846 18.300 -8.005 1.00 3.93 H new ATOM 2338 N LEU A 149 4.968 9.072 -7.412 1.00 0.53 N ATOM 2339 CA LEU A 149 5.788 8.149 -6.643 1.00 0.52 C ATOM 2340 C LEU A 149 7.118 8.827 -6.288 1.00 4.66 C ATOM 2341 O LEU A 149 7.834 9.265 -7.183 1.00 5.06 O ATOM 2342 CB LEU A 149 5.989 6.891 -7.510 1.00 0.60 C ATOM 2343 CG LEU A 149 6.739 5.751 -6.800 1.00 1.81 C ATOM 2344 CD1 LEU A 149 5.843 5.047 -5.777 1.00 3.89 C ATOM 2345 CD2 LEU A 149 7.201 4.718 -7.834 1.00 2.55 C ATOM 0 H LEU A 149 4.820 8.751 -8.369 1.00 0.53 H new ATOM 0 HA LEU A 149 5.314 7.865 -5.703 1.00 0.52 H new ATOM 0 HB2 LEU A 149 5.014 6.525 -7.831 1.00 0.60 H new ATOM 0 HB3 LEU A 149 6.538 7.167 -8.410 1.00 0.60 H new ATOM 0 HG LEU A 149 7.593 6.186 -6.281 1.00 1.81 H new ATOM 0 HD11 LEU A 149 6.403 4.247 -5.293 1.00 3.89 H new ATOM 0 HD12 LEU A 149 5.514 5.765 -5.026 1.00 3.89 H new ATOM 0 HD13 LEU A 149 4.974 4.627 -6.283 1.00 3.89 H new ATOM 0 HD21 LEU A 149 7.732 3.911 -7.330 1.00 2.55 H new ATOM 0 HD22 LEU A 149 6.334 4.312 -8.355 1.00 2.55 H new ATOM 0 HD23 LEU A 149 7.866 5.196 -8.554 1.00 2.55 H new ATOM 2357 N VAL A 150 7.446 8.900 -4.998 1.00 0.53 N ATOM 2358 CA VAL A 150 8.704 9.486 -4.481 1.00 0.60 C ATOM 2359 C VAL A 150 9.633 8.445 -3.829 1.00 3.72 C ATOM 2360 O VAL A 150 10.832 8.695 -3.679 1.00 4.42 O ATOM 2361 CB VAL A 150 8.437 10.642 -3.483 1.00 0.73 C ATOM 2362 CG1 VAL A 150 7.824 11.871 -4.170 1.00 1.47 C ATOM 2363 CG2 VAL A 150 7.528 10.238 -2.307 1.00 2.84 C ATOM 0 H VAL A 150 6.838 8.548 -4.259 1.00 0.53 H new ATOM 0 HA VAL A 150 9.215 9.884 -5.358 1.00 0.60 H new ATOM 0 HB VAL A 150 9.422 10.892 -3.088 1.00 0.73 H new ATOM 0 HG11 VAL A 150 7.655 12.654 -3.431 1.00 1.47 H new ATOM 0 HG12 VAL A 150 8.506 12.237 -4.937 1.00 1.47 H new ATOM 0 HG13 VAL A 150 6.875 11.595 -4.630 1.00 1.47 H new ATOM 0 HG21 VAL A 150 7.383 11.094 -1.648 1.00 2.84 H new ATOM 0 HG22 VAL A 150 6.563 9.908 -2.690 1.00 2.84 H new ATOM 0 HG23 VAL A 150 7.994 9.426 -1.749 1.00 2.84 H new ATOM 2373 N LEU A 151 9.101 7.264 -3.471 1.00 0.50 N ATOM 2374 CA LEU A 151 9.810 6.226 -2.715 1.00 0.50 C ATOM 2375 C LEU A 151 9.182 4.836 -2.939 1.00 4.26 C ATOM 2376 O LEU A 151 7.959 4.704 -3.059 1.00 5.10 O ATOM 2377 CB LEU A 151 9.828 6.626 -1.213 1.00 0.54 C ATOM 2378 CG LEU A 151 11.230 6.852 -0.631 1.00 1.62 C ATOM 2379 CD1 LEU A 151 11.172 7.587 0.709 1.00 4.96 C ATOM 2380 CD2 LEU A 151 11.927 5.512 -0.410 1.00 3.28 C ATOM 0 H LEU A 151 8.144 7.002 -3.706 1.00 0.50 H new ATOM 0 HA LEU A 151 10.837 6.152 -3.072 1.00 0.50 H new ATOM 0 HB2 LEU A 151 9.244 7.538 -1.086 1.00 0.54 H new ATOM 0 HB3 LEU A 151 9.330 5.846 -0.636 1.00 0.54 H new ATOM 0 HG LEU A 151 11.782 7.460 -1.347 1.00 1.62 H new ATOM 0 HD11 LEU A 151 12.183 7.729 1.090 1.00 4.96 H new ATOM 0 HD12 LEU A 151 10.697 8.558 0.571 1.00 4.96 H new ATOM 0 HD13 LEU A 151 10.595 6.998 1.422 1.00 4.96 H new ATOM 0 HD21 LEU A 151 12.921 5.683 0.003 1.00 3.28 H new ATOM 0 HD22 LEU A 151 11.344 4.909 0.286 1.00 3.28 H new ATOM 0 HD23 LEU A 151 12.015 4.986 -1.361 1.00 3.28 H new ATOM 2392 N LEU A 152 10.033 3.810 -2.972 1.00 0.52 N ATOM 2393 CA LEU A 152 9.667 2.390 -2.984 1.00 0.52 C ATOM 2394 C LEU A 152 10.097 1.711 -1.677 1.00 4.56 C ATOM 2395 O LEU A 152 11.142 2.044 -1.108 1.00 5.98 O ATOM 2396 CB LEU A 152 10.373 1.695 -4.164 1.00 0.58 C ATOM 2397 CG LEU A 152 9.897 2.099 -5.569 1.00 1.55 C ATOM 2398 CD1 LEU A 152 10.853 1.520 -6.622 1.00 5.14 C ATOM 2399 CD2 LEU A 152 8.481 1.575 -5.812 1.00 3.06 C ATOM 0 H LEU A 152 11.043 3.951 -2.992 1.00 0.52 H new ATOM 0 HA LEU A 152 8.585 2.308 -3.087 1.00 0.52 H new ATOM 0 HB2 LEU A 152 11.442 1.898 -4.092 1.00 0.58 H new ATOM 0 HB3 LEU A 152 10.245 0.618 -4.055 1.00 0.58 H new ATOM 0 HG LEU A 152 9.890 3.186 -5.646 1.00 1.55 H new ATOM 0 HD11 LEU A 152 10.515 1.807 -7.618 1.00 5.14 H new ATOM 0 HD12 LEU A 152 11.858 1.908 -6.454 1.00 5.14 H new ATOM 0 HD13 LEU A 152 10.866 0.433 -6.543 1.00 5.14 H new ATOM 0 HD21 LEU A 152 8.152 1.866 -6.810 1.00 3.06 H new ATOM 0 HD22 LEU A 152 8.476 0.488 -5.731 1.00 3.06 H new ATOM 0 HD23 LEU A 152 7.804 1.997 -5.069 1.00 3.06 H new ATOM 2411 N TYR A 153 9.328 0.706 -1.254 1.00 0.56 N ATOM 2412 CA TYR A 153 9.611 -0.140 -0.094 1.00 0.56 C ATOM 2413 C TYR A 153 9.274 -1.620 -0.348 1.00 3.04 C ATOM 2414 O TYR A 153 8.129 -1.985 -0.603 1.00 3.14 O ATOM 2415 CB TYR A 153 8.762 0.342 1.097 1.00 0.58 C ATOM 2416 CG TYR A 153 9.311 1.430 1.998 1.00 2.24 C ATOM 2417 CD1 TYR A 153 10.658 1.413 2.403 1.00 2.25 C ATOM 2418 CD2 TYR A 153 8.424 2.371 2.560 1.00 4.95 C ATOM 2419 CE1 TYR A 153 11.115 2.307 3.384 1.00 1.75 C ATOM 2420 CE2 TYR A 153 8.876 3.272 3.541 1.00 2.29 C ATOM 2421 CZ TYR A 153 10.222 3.231 3.955 1.00 2.50 C ATOM 2422 OH TYR A 153 10.658 4.072 4.914 1.00 2.65 O ATOM 0 H TYR A 153 8.461 0.450 -1.726 1.00 0.56 H new ATOM 0 HA TYR A 153 10.679 -0.062 0.110 1.00 0.56 H new ATOM 0 HB2 TYR A 153 7.809 0.692 0.701 1.00 0.58 H new ATOM 0 HB3 TYR A 153 8.548 -0.526 1.721 1.00 0.58 H new ATOM 0 HD1 TYR A 153 11.344 0.708 1.957 1.00 2.25 H new ATOM 0 HD2 TYR A 153 7.394 2.400 2.236 1.00 4.95 H new ATOM 0 HE1 TYR A 153 12.148 2.285 3.699 1.00 1.75 H new ATOM 0 HE2 TYR A 153 8.196 3.990 3.974 1.00 2.29 H new ATOM 0 HH TYR A 153 11.546 4.410 4.674 1.00 2.65 H new ATOM 2432 N SER A 154 10.240 -2.512 -0.169 1.00 0.89 N ATOM 2433 CA SER A 154 9.974 -3.919 0.179 1.00 0.77 C ATOM 2434 C SER A 154 9.356 -4.039 1.596 1.00 2.92 C ATOM 2435 O SER A 154 9.538 -3.109 2.391 1.00 3.82 O ATOM 2436 CB SER A 154 11.298 -4.703 0.161 1.00 0.90 C ATOM 2437 OG SER A 154 12.338 -4.120 -0.613 1.00 3.85 O ATOM 0 H SER A 154 11.231 -2.290 -0.259 1.00 0.89 H new ATOM 0 HA SER A 154 9.271 -4.322 -0.550 1.00 0.77 H new ATOM 0 HB2 SER A 154 11.649 -4.814 1.187 1.00 0.90 H new ATOM 0 HB3 SER A 154 11.103 -5.706 -0.219 1.00 0.90 H new ATOM 0 HG SER A 154 13.138 -4.684 -0.564 1.00 3.85 H new ATOM 2443 N PRO A 155 8.723 -5.169 1.983 1.00 0.69 N ATOM 2444 CA PRO A 155 8.344 -5.412 3.375 1.00 3.00 C ATOM 2445 C PRO A 155 9.586 -5.463 4.274 1.00 2.89 C ATOM 2446 O PRO A 155 9.632 -4.779 5.290 1.00 4.23 O ATOM 2447 CB PRO A 155 7.557 -6.728 3.375 1.00 3.41 C ATOM 2448 CG PRO A 155 8.074 -7.457 2.136 1.00 2.48 C ATOM 2449 CD PRO A 155 8.367 -6.315 1.161 1.00 0.74 C ATOM 0 HA PRO A 155 7.729 -4.608 3.780 1.00 3.00 H new ATOM 0 HB2 PRO A 155 7.738 -7.303 4.283 1.00 3.41 H new ATOM 0 HB3 PRO A 155 6.483 -6.553 3.318 1.00 3.41 H new ATOM 0 HG2 PRO A 155 8.969 -8.040 2.355 1.00 2.48 H new ATOM 0 HG3 PRO A 155 7.333 -8.149 1.736 1.00 2.48 H new ATOM 0 HD2 PRO A 155 9.180 -6.578 0.485 1.00 0.74 H new ATOM 0 HD3 PRO A 155 7.496 -6.097 0.543 1.00 0.74 H new ATOM 2457 N ASP A 156 10.656 -6.141 3.853 1.00 0.81 N ATOM 2458 CA ASP A 156 11.939 -6.189 4.566 1.00 0.97 C ATOM 2459 C ASP A 156 12.619 -4.812 4.742 1.00 3.08 C ATOM 2460 O ASP A 156 13.575 -4.658 5.506 1.00 4.14 O ATOM 2461 CB ASP A 156 12.850 -7.169 3.804 1.00 1.14 C ATOM 2462 CG ASP A 156 12.966 -6.787 2.323 1.00 1.87 C ATOM 2463 OD1 ASP A 156 13.883 -5.992 1.998 1.00 3.65 O ATOM 2464 OD2 ASP A 156 12.075 -7.190 1.542 1.00 5.19 O ATOM 0 H ASP A 156 10.657 -6.684 2.989 1.00 0.81 H new ATOM 0 HA ASP A 156 11.753 -6.527 5.586 1.00 0.97 H new ATOM 0 HB2 ASP A 156 13.841 -7.176 4.258 1.00 1.14 H new ATOM 0 HB3 ASP A 156 12.453 -8.180 3.891 1.00 1.14 H new ATOM 2469 N LYS A 157 12.144 -3.794 4.017 1.00 0.92 N ATOM 2470 CA LYS A 157 12.372 -2.383 4.330 1.00 0.94 C ATOM 2471 C LYS A 157 11.308 -1.835 5.307 1.00 5.98 C ATOM 2472 O LYS A 157 11.659 -1.408 6.407 1.00 6.37 O ATOM 2473 CB LYS A 157 12.456 -1.555 3.034 1.00 1.04 C ATOM 2474 CG LYS A 157 13.472 -2.056 1.995 1.00 3.06 C ATOM 2475 CD LYS A 157 14.936 -1.898 2.436 1.00 5.40 C ATOM 2476 CE LYS A 157 15.741 -3.192 2.291 1.00 2.62 C ATOM 2477 NZ LYS A 157 15.376 -4.212 3.298 1.00 3.08 N ATOM 0 H LYS A 157 11.579 -3.933 3.179 1.00 0.92 H new ATOM 0 HA LYS A 157 13.330 -2.296 4.843 1.00 0.94 H new ATOM 0 HB2 LYS A 157 11.469 -1.535 2.571 1.00 1.04 H new ATOM 0 HB3 LYS A 157 12.707 -0.527 3.296 1.00 1.04 H new ATOM 0 HG2 LYS A 157 13.276 -3.108 1.786 1.00 3.06 H new ATOM 0 HG3 LYS A 157 13.322 -1.513 1.062 1.00 3.06 H new ATOM 0 HD2 LYS A 157 15.407 -1.114 1.843 1.00 5.40 H new ATOM 0 HD3 LYS A 157 14.965 -1.572 3.476 1.00 5.40 H new ATOM 0 HE2 LYS A 157 15.585 -3.602 1.293 1.00 2.62 H new ATOM 0 HE3 LYS A 157 16.803 -2.965 2.379 1.00 2.62 H new ATOM 0 HZ1 LYS A 157 16.166 -4.878 3.420 1.00 3.08 H new ATOM 0 HZ2 LYS A 157 15.172 -3.747 4.205 1.00 3.08 H new ATOM 0 HZ3 LYS A 157 14.533 -4.730 2.978 1.00 3.08 H new ATOM 2491 N ALA A 158 10.023 -1.855 4.935 1.00 0.79 N ATOM 2492 CA ALA A 158 8.914 -1.212 5.654 1.00 0.77 C ATOM 2493 C ALA A 158 8.677 -1.721 7.090 1.00 2.89 C ATOM 2494 O ALA A 158 8.180 -0.973 7.930 1.00 3.56 O ATOM 2495 CB ALA A 158 7.648 -1.393 4.807 1.00 0.85 C ATOM 0 H ALA A 158 9.714 -2.338 4.092 1.00 0.79 H new ATOM 0 HA ALA A 158 9.180 -0.163 5.784 1.00 0.77 H new ATOM 0 HB1 ALA A 158 6.802 -0.926 5.312 1.00 0.85 H new ATOM 0 HB2 ALA A 158 7.792 -0.925 3.833 1.00 0.85 H new ATOM 0 HB3 ALA A 158 7.449 -2.456 4.673 1.00 0.85 H new ATOM 2501 N GLU A 159 9.045 -2.965 7.401 1.00 0.72 N ATOM 2502 CA GLU A 159 8.824 -3.522 8.738 1.00 0.73 C ATOM 2503 C GLU A 159 9.765 -2.881 9.790 1.00 3.97 C ATOM 2504 O GLU A 159 9.480 -2.910 10.990 1.00 4.89 O ATOM 2505 CB GLU A 159 8.801 -5.066 8.683 1.00 0.92 C ATOM 2506 CG GLU A 159 7.596 -5.517 7.823 1.00 2.85 C ATOM 2507 CD GLU A 159 7.294 -7.018 7.800 1.00 5.91 C ATOM 2508 OE1 GLU A 159 8.195 -7.808 8.156 1.00 3.33 O ATOM 2509 OE2 GLU A 159 6.145 -7.351 7.412 1.00 4.73 O ATOM 0 H GLU A 159 9.496 -3.605 6.748 1.00 0.72 H new ATOM 0 HA GLU A 159 7.832 -3.248 9.098 1.00 0.73 H new ATOM 0 HB2 GLU A 159 9.731 -5.442 8.256 1.00 0.92 H new ATOM 0 HB3 GLU A 159 8.722 -5.478 9.689 1.00 0.92 H new ATOM 0 HG2 GLU A 159 6.708 -4.996 8.181 1.00 2.85 H new ATOM 0 HG3 GLU A 159 7.767 -5.188 6.798 1.00 2.85 H new ATOM 2516 N ALA A 160 10.809 -2.154 9.354 1.00 0.73 N ATOM 2517 CA ALA A 160 11.490 -1.146 10.171 1.00 0.74 C ATOM 2518 C ALA A 160 10.582 0.082 10.400 1.00 3.12 C ATOM 2519 O ALA A 160 10.749 1.123 9.751 1.00 3.61 O ATOM 2520 CB ALA A 160 12.841 -0.773 9.532 1.00 0.82 C ATOM 0 H ALA A 160 11.203 -2.253 8.418 1.00 0.73 H new ATOM 0 HA ALA A 160 11.700 -1.564 11.156 1.00 0.74 H new ATOM 0 HB1 ALA A 160 13.339 -0.023 10.146 1.00 0.82 H new ATOM 0 HB2 ALA A 160 13.469 -1.662 9.463 1.00 0.82 H new ATOM 0 HB3 ALA A 160 12.672 -0.370 8.533 1.00 0.82 H new ATOM 2526 N THR A 161 9.656 -0.041 11.362 1.00 0.74 N ATOM 2527 CA THR A 161 8.713 1.003 11.828 1.00 0.80 C ATOM 2528 C THR A 161 9.324 2.401 11.804 1.00 3.43 C ATOM 2529 O THR A 161 8.857 3.271 11.074 1.00 4.40 O ATOM 2530 CB THR A 161 8.225 0.653 13.244 1.00 0.89 C ATOM 2531 OG1 THR A 161 7.336 -0.436 13.158 1.00 3.25 O ATOM 2532 CG2 THR A 161 7.467 1.784 13.940 1.00 1.07 C ATOM 0 H THR A 161 9.533 -0.918 11.868 1.00 0.74 H new ATOM 0 HA THR A 161 7.871 1.022 11.137 1.00 0.80 H new ATOM 0 HB THR A 161 9.121 0.438 13.827 1.00 0.89 H new ATOM 0 HG1 THR A 161 7.018 -0.671 14.055 1.00 3.25 H new ATOM 0 HG21 THR A 161 7.157 1.457 14.933 1.00 1.07 H new ATOM 0 HG22 THR A 161 8.116 2.655 14.031 1.00 1.07 H new ATOM 0 HG23 THR A 161 6.587 2.047 13.353 1.00 1.07 H new ATOM 2540 N ASP A 162 10.385 2.625 12.571 1.00 0.86 N ATOM 2541 CA ASP A 162 10.987 3.950 12.729 1.00 0.97 C ATOM 2542 C ASP A 162 11.740 4.439 11.485 1.00 3.40 C ATOM 2543 O ASP A 162 11.937 5.641 11.319 1.00 3.76 O ATOM 2544 CB ASP A 162 11.837 3.961 13.999 1.00 1.05 C ATOM 2545 CG ASP A 162 10.909 3.858 15.209 1.00 2.29 C ATOM 2546 OD1 ASP A 162 10.606 2.718 15.626 1.00 4.50 O ATOM 2547 OD2 ASP A 162 10.446 4.923 15.677 1.00 4.54 O ATOM 0 H ASP A 162 10.855 1.893 13.103 1.00 0.86 H new ATOM 0 HA ASP A 162 10.185 4.680 12.840 1.00 0.97 H new ATOM 0 HB2 ASP A 162 12.541 3.129 13.990 1.00 1.05 H new ATOM 0 HB3 ASP A 162 12.427 4.876 14.051 1.00 1.05 H new ATOM 2552 N ARG A 163 12.107 3.538 10.566 1.00 1.02 N ATOM 2553 CA ARG A 163 12.503 3.921 9.213 1.00 1.09 C ATOM 2554 C ARG A 163 11.320 4.406 8.379 1.00 8.50 C ATOM 2555 O ARG A 163 11.466 5.447 7.747 1.00 9.17 O ATOM 2556 CB ARG A 163 13.249 2.787 8.505 1.00 1.10 C ATOM 2557 CG ARG A 163 14.538 2.352 9.225 1.00 3.00 C ATOM 2558 CD ARG A 163 15.479 3.547 9.320 1.00 3.60 C ATOM 2559 NE ARG A 163 16.833 3.202 9.778 1.00 5.63 N ATOM 2560 CZ ARG A 163 17.832 4.076 9.864 1.00 4.50 C ATOM 2561 NH1 ARG A 163 17.726 5.309 9.411 1.00 4.90 N ATOM 2562 NH2 ARG A 163 18.973 3.722 10.417 1.00 3.84 N ATOM 0 H ARG A 163 12.137 2.533 10.740 1.00 1.02 H new ATOM 0 HA ARG A 163 13.189 4.762 9.314 1.00 1.09 H new ATOM 0 HB2 ARG A 163 12.585 1.927 8.416 1.00 1.10 H new ATOM 0 HB3 ARG A 163 13.498 3.104 7.492 1.00 1.10 H new ATOM 0 HG2 ARG A 163 14.305 1.976 10.221 1.00 3.00 H new ATOM 0 HG3 ARG A 163 15.017 1.538 8.681 1.00 3.00 H new ATOM 0 HD2 ARG A 163 15.547 4.023 8.342 1.00 3.60 H new ATOM 0 HD3 ARG A 163 15.051 4.281 10.002 1.00 3.60 H new ATOM 0 HE ARG A 163 17.017 2.235 10.046 1.00 5.63 H new ATOM 0 HH11 ARG A 163 16.857 5.620 8.977 1.00 4.90 H new ATOM 0 HH12 ARG A 163 18.513 5.952 9.494 1.00 4.90 H new ATOM 0 HH21 ARG A 163 19.092 2.776 10.780 1.00 3.84 H new ATOM 0 HH22 ARG A 163 19.738 4.393 10.482 1.00 3.84 H new ATOM 2576 N VAL A 164 10.155 3.761 8.456 1.00 1.02 N ATOM 2577 CA VAL A 164 8.922 4.295 7.842 1.00 1.02 C ATOM 2578 C VAL A 164 8.562 5.654 8.444 1.00 4.32 C ATOM 2579 O VAL A 164 8.262 6.569 7.684 1.00 5.10 O ATOM 2580 CB VAL A 164 7.736 3.309 7.897 1.00 0.99 C ATOM 2581 CG1 VAL A 164 6.445 3.895 7.300 1.00 1.04 C ATOM 2582 CG2 VAL A 164 8.084 2.032 7.123 1.00 2.68 C ATOM 0 H VAL A 164 10.032 2.869 8.935 1.00 1.02 H new ATOM 0 HA VAL A 164 9.134 4.435 6.782 1.00 1.02 H new ATOM 0 HB VAL A 164 7.559 3.097 8.951 1.00 0.99 H new ATOM 0 HG11 VAL A 164 5.646 3.157 7.366 1.00 1.04 H new ATOM 0 HG12 VAL A 164 6.160 4.789 7.855 1.00 1.04 H new ATOM 0 HG13 VAL A 164 6.613 4.155 6.255 1.00 1.04 H new ATOM 0 HG21 VAL A 164 7.243 1.340 7.166 1.00 2.68 H new ATOM 0 HG22 VAL A 164 8.295 2.283 6.083 1.00 2.68 H new ATOM 0 HG23 VAL A 164 8.962 1.564 7.569 1.00 2.68 H new ATOM 2592 N VAL A 165 8.692 5.831 9.766 1.00 0.92 N ATOM 2593 CA VAL A 165 8.589 7.171 10.382 1.00 0.88 C ATOM 2594 C VAL A 165 9.549 8.177 9.725 1.00 4.37 C ATOM 2595 O VAL A 165 9.095 9.206 9.241 1.00 4.85 O ATOM 2596 CB VAL A 165 8.813 7.151 11.913 1.00 0.86 C ATOM 2597 CG1 VAL A 165 8.731 8.557 12.542 1.00 0.94 C ATOM 2598 CG2 VAL A 165 7.777 6.259 12.605 1.00 3.23 C ATOM 0 H VAL A 165 8.867 5.075 10.428 1.00 0.92 H new ATOM 0 HA VAL A 165 7.564 7.495 10.204 1.00 0.88 H new ATOM 0 HB VAL A 165 9.818 6.757 12.062 1.00 0.86 H new ATOM 0 HG11 VAL A 165 8.895 8.485 13.617 1.00 0.94 H new ATOM 0 HG12 VAL A 165 9.494 9.198 12.100 1.00 0.94 H new ATOM 0 HG13 VAL A 165 7.746 8.983 12.354 1.00 0.94 H new ATOM 0 HG21 VAL A 165 7.955 6.261 13.680 1.00 3.23 H new ATOM 0 HG22 VAL A 165 6.776 6.640 12.402 1.00 3.23 H new ATOM 0 HG23 VAL A 165 7.862 5.241 12.225 1.00 3.23 H new ATOM 2608 N ALA A 166 10.862 7.917 9.706 1.00 0.88 N ATOM 2609 CA ALA A 166 11.876 8.889 9.273 1.00 0.92 C ATOM 2610 C ALA A 166 11.823 9.248 7.776 1.00 3.28 C ATOM 2611 O ALA A 166 11.985 10.425 7.442 1.00 3.90 O ATOM 2612 CB ALA A 166 13.250 8.316 9.636 1.00 0.96 C ATOM 0 H ALA A 166 11.254 7.020 9.993 1.00 0.88 H new ATOM 0 HA ALA A 166 11.674 9.828 9.788 1.00 0.92 H new ATOM 0 HB1 ALA A 166 14.028 9.014 9.328 1.00 0.96 H new ATOM 0 HB2 ALA A 166 13.307 8.162 10.714 1.00 0.96 H new ATOM 0 HB3 ALA A 166 13.394 7.364 9.125 1.00 0.96 H new ATOM 2618 N ASP A 167 11.576 8.266 6.902 1.00 0.89 N ATOM 2619 CA ASP A 167 11.408 8.479 5.458 1.00 0.94 C ATOM 2620 C ASP A 167 10.123 9.265 5.171 1.00 3.49 C ATOM 2621 O ASP A 167 10.171 10.252 4.438 1.00 3.63 O ATOM 2622 CB ASP A 167 11.360 7.130 4.719 1.00 1.06 C ATOM 2623 CG ASP A 167 12.727 6.601 4.253 1.00 2.09 C ATOM 2624 OD1 ASP A 167 13.439 7.378 3.585 1.00 4.42 O ATOM 2625 OD2 ASP A 167 13.052 5.408 4.498 1.00 4.93 O ATOM 0 H ASP A 167 11.486 7.289 7.180 1.00 0.89 H new ATOM 0 HA ASP A 167 12.262 9.055 5.101 1.00 0.94 H new ATOM 0 HB2 ASP A 167 10.904 6.389 5.375 1.00 1.06 H new ATOM 0 HB3 ASP A 167 10.710 7.231 3.850 1.00 1.06 H new ATOM 2630 N LEU A 168 8.995 8.910 5.810 1.00 0.97 N ATOM 2631 CA LEU A 168 7.771 9.727 5.719 1.00 1.02 C ATOM 2632 C LEU A 168 8.017 11.141 6.255 1.00 4.55 C ATOM 2633 O LEU A 168 7.504 12.112 5.707 1.00 5.10 O ATOM 2634 CB LEU A 168 6.607 9.093 6.503 1.00 1.08 C ATOM 2635 CG LEU A 168 5.985 7.815 5.906 1.00 1.80 C ATOM 2636 CD1 LEU A 168 4.974 7.267 6.923 1.00 5.25 C ATOM 2637 CD2 LEU A 168 5.272 8.064 4.570 1.00 3.12 C ATOM 0 H LEU A 168 8.904 8.074 6.388 1.00 0.97 H new ATOM 0 HA LEU A 168 7.502 9.776 4.664 1.00 1.02 H new ATOM 0 HB2 LEU A 168 6.960 8.862 7.508 1.00 1.08 H new ATOM 0 HB3 LEU A 168 5.819 9.839 6.605 1.00 1.08 H new ATOM 0 HG LEU A 168 6.789 7.107 5.706 1.00 1.80 H new ATOM 0 HD11 LEU A 168 4.516 6.360 6.528 1.00 5.25 H new ATOM 0 HD12 LEU A 168 5.486 7.038 7.858 1.00 5.25 H new ATOM 0 HD13 LEU A 168 4.201 8.014 7.106 1.00 5.25 H new ATOM 0 HD21 LEU A 168 4.855 7.127 4.200 1.00 3.12 H new ATOM 0 HD22 LEU A 168 4.469 8.786 4.715 1.00 3.12 H new ATOM 0 HD23 LEU A 168 5.985 8.455 3.844 1.00 3.12 H new ATOM 2649 N GLN A 169 8.809 11.277 7.318 1.00 1.00 N ATOM 2650 CA GLN A 169 9.154 12.570 7.897 1.00 1.05 C ATOM 2651 C GLN A 169 10.132 13.401 7.045 1.00 5.16 C ATOM 2652 O GLN A 169 10.221 14.614 7.244 1.00 5.92 O ATOM 2653 CB GLN A 169 9.626 12.391 9.349 1.00 1.20 C ATOM 2654 CG GLN A 169 8.454 12.149 10.328 1.00 2.97 C ATOM 2655 CD GLN A 169 8.534 13.008 11.589 1.00 5.41 C ATOM 2656 OE1 GLN A 169 7.608 13.708 11.962 1.00 4.78 O ATOM 2657 NE2 GLN A 169 9.645 12.994 12.299 1.00 3.42 N ATOM 0 H GLN A 169 9.231 10.486 7.803 1.00 1.00 H new ATOM 0 HA GLN A 169 8.243 13.169 7.904 1.00 1.05 H new ATOM 0 HB2 GLN A 169 10.318 11.551 9.401 1.00 1.20 H new ATOM 0 HB3 GLN A 169 10.178 13.278 9.660 1.00 1.20 H new ATOM 0 HG2 GLN A 169 7.514 12.354 9.816 1.00 2.97 H new ATOM 0 HG3 GLN A 169 8.439 11.097 10.613 1.00 2.97 H new ATOM 0 HE21 GLN A 169 10.431 12.415 12.004 1.00 3.42 H new ATOM 0 HE22 GLN A 169 9.718 13.562 13.143 1.00 3.42 H new ATOM 2666 N ALA A 170 10.864 12.799 6.100 1.00 1.07 N ATOM 2667 CA ALA A 170 11.564 13.537 5.045 1.00 1.16 C ATOM 2668 C ALA A 170 10.612 14.121 3.980 1.00 3.15 C ATOM 2669 O ALA A 170 10.982 15.057 3.274 1.00 3.49 O ATOM 2670 CB ALA A 170 12.587 12.603 4.394 1.00 1.18 C ATOM 0 H ALA A 170 10.987 11.788 6.046 1.00 1.07 H new ATOM 0 HA ALA A 170 12.060 14.392 5.505 1.00 1.16 H new ATOM 0 HB1 ALA A 170 13.117 13.137 3.606 1.00 1.18 H new ATOM 0 HB2 ALA A 170 13.300 12.264 5.146 1.00 1.18 H new ATOM 0 HB3 ALA A 170 12.073 11.742 3.967 1.00 1.18 H new ATOM 2676 N LEU A 171 9.406 13.553 3.863 1.00 1.11 N ATOM 2677 CA LEU A 171 8.386 13.874 2.862 1.00 1.22 C ATOM 2678 C LEU A 171 7.239 14.747 3.405 1.00 5.30 C ATOM 2679 O LEU A 171 6.347 15.037 2.610 1.00 5.62 O ATOM 2680 CB LEU A 171 7.822 12.547 2.314 1.00 1.24 C ATOM 2681 CG LEU A 171 8.838 11.656 1.574 1.00 2.18 C ATOM 2682 CD1 LEU A 171 8.146 10.328 1.244 1.00 4.60 C ATOM 2683 CD2 LEU A 171 9.369 12.327 0.297 1.00 3.56 C ATOM 0 H LEU A 171 9.100 12.817 4.500 1.00 1.11 H new ATOM 0 HA LEU A 171 8.862 14.464 2.079 1.00 1.22 H new ATOM 0 HB2 LEU A 171 7.403 11.979 3.144 1.00 1.24 H new ATOM 0 HB3 LEU A 171 7.000 12.773 1.635 1.00 1.24 H new ATOM 0 HG LEU A 171 9.704 11.488 2.214 1.00 2.18 H new ATOM 0 HD11 LEU A 171 8.843 9.675 0.718 1.00 4.60 H new ATOM 0 HD12 LEU A 171 7.824 9.846 2.167 1.00 4.60 H new ATOM 0 HD13 LEU A 171 7.279 10.517 0.611 1.00 4.60 H new ATOM 0 HD21 LEU A 171 10.082 11.664 -0.193 1.00 3.56 H new ATOM 0 HD22 LEU A 171 8.539 12.530 -0.379 1.00 3.56 H new ATOM 0 HD23 LEU A 171 9.863 13.263 0.556 1.00 3.56 H new ATOM 2695 N LEU A 172 7.235 15.147 4.691 1.00 1.37 N ATOM 2696 CA LEU A 172 6.101 15.772 5.406 1.00 1.52 C ATOM 2697 C LEU A 172 5.168 16.642 4.555 1.00 4.19 C ATOM 2698 O LEU A 172 3.994 16.263 4.367 1.00 4.09 O ATOM 2699 CB LEU A 172 6.633 16.575 6.612 1.00 1.84 C ATOM 2700 CG LEU A 172 6.942 15.801 7.895 1.00 2.14 C ATOM 2701 CD1 LEU A 172 7.347 16.789 8.989 1.00 5.71 C ATOM 2702 CD2 LEU A 172 5.745 15.001 8.407 1.00 3.09 C ATOM 2703 OXT LEU A 172 5.523 17.768 4.158 1.00 4.86 O ATOM 0 H LEU A 172 8.056 15.040 5.287 1.00 1.37 H new ATOM 0 HA LEU A 172 5.473 14.941 5.727 1.00 1.52 H new ATOM 0 HB2 LEU A 172 7.544 17.087 6.300 1.00 1.84 H new ATOM 0 HB3 LEU A 172 5.901 17.346 6.852 1.00 1.84 H new ATOM 0 HG LEU A 172 7.744 15.101 7.659 1.00 2.14 H new ATOM 0 HD11 LEU A 172 7.569 16.245 9.907 1.00 5.71 H new ATOM 0 HD12 LEU A 172 8.232 17.341 8.672 1.00 5.71 H new ATOM 0 HD13 LEU A 172 6.530 17.487 9.170 1.00 5.71 H new ATOM 0 HD21 LEU A 172 6.024 14.473 9.319 1.00 3.09 H new ATOM 0 HD22 LEU A 172 4.918 15.679 8.619 1.00 3.09 H new ATOM 0 HD23 LEU A 172 5.438 14.280 7.649 1.00 3.09 H new