USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 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 62 TYR OH : rot 53:sc= 0.306 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.699 K(o=1,f=0) USER MOD Set 2.1: A 47 CYS SG : rot 150:sc= -0.2 USER MOD Set 2.2: A 51 CYS SG : rot -97:sc= -0.36 USER MOD Set 2.3: A 137 HIS : no HD1:sc= -0.262 X(o=-0.82,f=-0.75) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.14) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 130:sc= 0.188 USER MOD Single : A 32 GLN : amide:sc=-0.00584 X(o=-0.0058,f=-0.0058) USER MOD Single : A 34 GLN : amide:sc= 0.611 K(o=0.61,f=-0.92) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 2.08 (180deg=2.08) USER MOD Single : A 45 THR OG1 : rot -105:sc= 1.81 USER MOD Single : A 53 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 54 THR OG1 : rot 103:sc= 0.182 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0.921 (180deg=0.68) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.721) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.376) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.172 F(o=-0.47,f=0.17) USER MOD Single : A 79 SER OG : rot 20:sc= 0.474 USER MOD Single : A 93 TYR OH : rot -75:sc= 0.107 USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= 1.3 (180deg=0.467!) USER MOD Single : A 98 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-8.3!) USER MOD Single : A 100 SER OG : rot 175:sc= 0.0198 USER MOD Single : A 105 SER OG : rot 164:sc= 1.24 USER MOD Single : A 107 SER OG : rot 84:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= -0.158 K(o=-0.16,f=-6!) USER MOD Single : A 117 THR OG1 : rot 87:sc= 1.17 USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 157:sc= -0.373 (180deg=-1.68!) USER MOD Single : A 138 THR OG1 : rot -122:sc= 1.14 USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 153:sc= 0.256 (180deg=-0.0963) USER MOD Single : A 153 TYR OH : rot 35:sc= 0.136 USER MOD Single : A 154 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 157 LYS NZ :NH3+ -121:sc= 2.37 (180deg=-1.16) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc=-0.00161 X(o=-0.0016,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.022 5.043 4.665 1.00 1.36 N ATOM 90 CA TYR A 7 15.900 3.576 4.712 1.00 1.39 C ATOM 91 C TYR A 7 15.157 2.964 3.512 1.00 1.39 C ATOM 92 O TYR A 7 15.345 1.779 3.240 1.00 1.52 O ATOM 93 CB TYR A 7 15.206 3.174 6.025 1.00 1.89 C ATOM 94 CG TYR A 7 15.393 1.719 6.438 1.00 1.61 C ATOM 95 CD1 TYR A 7 16.652 1.287 6.904 1.00 2.39 C ATOM 96 CD2 TYR A 7 14.319 0.804 6.390 1.00 2.39 C ATOM 97 CE1 TYR A 7 16.832 -0.042 7.334 1.00 2.75 C ATOM 98 CE2 TYR A 7 14.495 -0.531 6.810 1.00 2.59 C ATOM 99 CZ TYR A 7 15.754 -0.953 7.299 1.00 2.33 C ATOM 100 OH TYR A 7 15.938 -2.224 7.750 1.00 3.02 O ATOM 0 HA TYR A 7 16.912 3.175 4.663 1.00 1.39 H new ATOM 0 HB2 TYR A 7 15.579 3.813 6.825 1.00 1.89 H new ATOM 0 HB3 TYR A 7 14.139 3.374 5.929 1.00 1.89 H new ATOM 0 HD1 TYR A 7 17.481 1.978 6.931 1.00 2.39 H new ATOM 0 HD2 TYR A 7 13.354 1.129 6.029 1.00 2.39 H new ATOM 0 HE1 TYR A 7 17.798 -0.365 7.692 1.00 2.75 H new ATOM 0 HE2 TYR A 7 13.672 -1.228 6.759 1.00 2.59 H new ATOM 0 HH TYR A 7 15.102 -2.727 7.661 1.00 3.02 H new ATOM 110 N GLY A 8 14.331 3.731 2.788 1.00 1.05 N ATOM 111 CA GLY A 8 13.674 3.279 1.556 1.00 0.94 C ATOM 112 C GLY A 8 14.529 3.506 0.303 1.00 1.01 C ATOM 113 O GLY A 8 15.530 4.226 0.320 1.00 1.36 O ATOM 0 H GLY A 8 14.099 4.691 3.044 1.00 1.05 H new ATOM 0 HA2 GLY A 8 13.441 2.218 1.643 1.00 0.94 H new ATOM 0 HA3 GLY A 8 12.726 3.805 1.442 1.00 0.94 H new ATOM 117 N THR A 9 14.122 2.890 -0.816 1.00 0.83 N ATOM 118 CA THR A 9 14.830 2.993 -2.102 1.00 0.92 C ATOM 119 C THR A 9 14.346 4.250 -2.818 1.00 1.08 C ATOM 120 O THR A 9 13.207 4.322 -3.280 1.00 1.04 O ATOM 121 CB THR A 9 14.630 1.754 -2.976 1.00 1.12 C ATOM 122 OG1 THR A 9 14.782 0.587 -2.206 1.00 1.36 O ATOM 123 CG2 THR A 9 15.646 1.703 -4.116 1.00 1.32 C ATOM 0 H THR A 9 13.289 2.303 -0.856 1.00 0.83 H new ATOM 0 HA THR A 9 15.901 3.058 -1.910 1.00 0.92 H new ATOM 0 HB THR A 9 13.624 1.813 -3.391 1.00 1.12 H new ATOM 0 HG1 THR A 9 14.650 -0.200 -2.775 1.00 1.36 H new ATOM 0 HG21 THR A 9 15.474 0.810 -4.717 1.00 1.32 H new ATOM 0 HG22 THR A 9 15.535 2.588 -4.742 1.00 1.32 H new ATOM 0 HG23 THR A 9 16.655 1.675 -3.704 1.00 1.32 H new ATOM 131 N ARG A 10 15.207 5.267 -2.858 1.00 0.99 N ATOM 132 CA ARG A 10 14.844 6.622 -3.255 1.00 1.02 C ATOM 133 C ARG A 10 15.032 6.843 -4.755 1.00 1.46 C ATOM 134 O ARG A 10 16.071 6.521 -5.319 1.00 1.70 O ATOM 135 CB ARG A 10 15.644 7.604 -2.395 1.00 1.09 C ATOM 136 CG ARG A 10 15.053 9.023 -2.406 1.00 1.32 C ATOM 137 CD ARG A 10 15.160 9.588 -0.988 1.00 1.91 C ATOM 138 NE ARG A 10 14.675 10.973 -0.849 1.00 2.33 N ATOM 139 CZ ARG A 10 15.381 12.076 -1.065 1.00 2.82 C ATOM 140 NH1 ARG A 10 16.574 12.057 -1.630 1.00 3.68 N ATOM 141 NH2 ARG A 10 14.887 13.245 -0.717 1.00 3.45 N ATOM 0 H ARG A 10 16.192 5.168 -2.611 1.00 0.99 H new ATOM 0 HA ARG A 10 13.782 6.792 -3.080 1.00 1.02 H new ATOM 0 HB2 ARG A 10 15.678 7.237 -1.369 1.00 1.09 H new ATOM 0 HB3 ARG A 10 16.672 7.641 -2.755 1.00 1.09 H new ATOM 0 HG2 ARG A 10 15.593 9.656 -3.111 1.00 1.32 H new ATOM 0 HG3 ARG A 10 14.013 9.000 -2.730 1.00 1.32 H new ATOM 0 HD2 ARG A 10 14.595 8.948 -0.311 1.00 1.91 H new ATOM 0 HD3 ARG A 10 16.202 9.547 -0.671 1.00 1.91 H new ATOM 0 HE ARG A 10 13.705 11.095 -0.559 1.00 2.33 H new ATOM 0 HH11 ARG A 10 16.987 11.170 -1.919 1.00 3.68 H new ATOM 0 HH12 ARG A 10 17.082 12.929 -1.777 1.00 3.68 H new ATOM 0 HH21 ARG A 10 13.965 13.301 -0.283 1.00 3.45 H new ATOM 0 HH22 ARG A 10 15.426 14.096 -0.881 1.00 3.45 H new ATOM 155 N LEU A 11 14.012 7.428 -5.386 1.00 1.07 N ATOM 156 CA LEU A 11 13.874 7.424 -6.853 1.00 1.21 C ATOM 157 C LEU A 11 14.846 8.346 -7.602 1.00 2.04 C ATOM 158 O LEU A 11 15.113 8.113 -8.776 1.00 3.90 O ATOM 159 CB LEU A 11 12.443 7.843 -7.237 1.00 0.90 C ATOM 160 CG LEU A 11 11.302 6.936 -6.750 1.00 1.00 C ATOM 161 CD1 LEU A 11 9.990 7.524 -7.281 1.00 1.40 C ATOM 162 CD2 LEU A 11 11.447 5.483 -7.221 1.00 1.36 C ATOM 0 H LEU A 11 13.259 7.917 -4.902 1.00 1.07 H new ATOM 0 HA LEU A 11 14.110 6.403 -7.154 1.00 1.21 H new ATOM 0 HB2 LEU A 11 12.268 8.847 -6.851 1.00 0.90 H new ATOM 0 HB3 LEU A 11 12.387 7.906 -8.324 1.00 0.90 H new ATOM 0 HG LEU A 11 11.323 6.906 -5.661 1.00 1.00 H new ATOM 0 HD11 LEU A 11 9.155 6.904 -6.954 1.00 1.40 H new ATOM 0 HD12 LEU A 11 9.863 8.536 -6.897 1.00 1.40 H new ATOM 0 HD13 LEU A 11 10.018 7.550 -8.370 1.00 1.40 H new ATOM 0 HD21 LEU A 11 10.611 4.893 -6.845 1.00 1.36 H new ATOM 0 HD22 LEU A 11 11.451 5.452 -8.311 1.00 1.36 H new ATOM 0 HD23 LEU A 11 12.382 5.070 -6.843 1.00 1.36 H new ATOM 174 N LEU A 12 15.279 9.431 -6.945 1.00 1.37 N ATOM 175 CA LEU A 12 15.861 10.638 -7.554 1.00 1.47 C ATOM 176 C LEU A 12 14.794 11.337 -8.416 1.00 1.68 C ATOM 177 O LEU A 12 14.228 12.330 -7.966 1.00 2.14 O ATOM 178 CB LEU A 12 17.186 10.374 -8.308 1.00 1.66 C ATOM 179 CG LEU A 12 18.412 10.142 -7.400 1.00 2.17 C ATOM 180 CD1 LEU A 12 18.364 8.828 -6.602 1.00 3.44 C ATOM 181 CD2 LEU A 12 19.673 10.163 -8.266 1.00 3.17 C ATOM 0 H LEU A 12 15.231 9.495 -5.928 1.00 1.37 H new ATOM 0 HA LEU A 12 16.154 11.317 -6.753 1.00 1.47 H new ATOM 0 HB2 LEU A 12 17.056 9.502 -8.949 1.00 1.66 H new ATOM 0 HB3 LEU A 12 17.391 11.222 -8.962 1.00 1.66 H new ATOM 0 HG LEU A 12 18.414 10.944 -6.662 1.00 2.17 H new ATOM 0 HD11 LEU A 12 19.262 8.741 -5.990 1.00 3.44 H new ATOM 0 HD12 LEU A 12 17.484 8.825 -5.959 1.00 3.44 H new ATOM 0 HD13 LEU A 12 18.312 7.985 -7.291 1.00 3.44 H new ATOM 0 HD21 LEU A 12 20.549 10.000 -7.638 1.00 3.17 H new ATOM 0 HD22 LEU A 12 19.613 9.374 -9.016 1.00 3.17 H new ATOM 0 HD23 LEU A 12 19.757 11.130 -8.762 1.00 3.17 H new ATOM 193 N ASN A 13 14.476 10.794 -9.593 1.00 1.45 N ATOM 194 CA ASN A 13 13.418 11.295 -10.475 1.00 1.52 C ATOM 195 C ASN A 13 12.040 10.651 -10.167 1.00 1.48 C ATOM 196 O ASN A 13 11.891 9.441 -10.357 1.00 1.68 O ATOM 197 CB ASN A 13 13.816 11.041 -11.933 1.00 1.77 C ATOM 198 CG ASN A 13 12.717 11.540 -12.861 1.00 2.22 C ATOM 199 OD1 ASN A 13 12.529 12.734 -13.031 1.00 3.04 O ATOM 200 ND2 ASN A 13 11.917 10.653 -13.416 1.00 3.06 N ATOM 0 H ASN A 13 14.957 9.976 -9.968 1.00 1.45 H new ATOM 0 HA ASN A 13 13.309 12.365 -10.300 1.00 1.52 H new ATOM 0 HB2 ASN A 13 14.753 11.550 -12.158 1.00 1.77 H new ATOM 0 HB3 ASN A 13 13.985 9.976 -12.093 1.00 1.77 H new ATOM 0 HD21 ASN A 13 11.134 10.962 -13.992 1.00 3.06 H new ATOM 0 HD22 ASN A 13 12.080 9.657 -13.270 1.00 3.06 H new ATOM 207 N PRO A 14 11.026 11.427 -9.726 1.00 1.18 N ATOM 208 CA PRO A 14 9.676 10.933 -9.441 1.00 1.14 C ATOM 209 C PRO A 14 8.828 10.808 -10.712 1.00 1.39 C ATOM 210 O PRO A 14 9.248 11.200 -11.798 1.00 2.14 O ATOM 211 CB PRO A 14 9.091 11.967 -8.471 1.00 1.24 C ATOM 212 CG PRO A 14 9.704 13.274 -8.971 1.00 1.36 C ATOM 213 CD PRO A 14 11.103 12.850 -9.412 1.00 1.30 C ATOM 0 HA PRO A 14 9.690 9.928 -9.018 1.00 1.14 H new ATOM 0 HB2 PRO A 14 8.002 11.989 -8.510 1.00 1.24 H new ATOM 0 HB3 PRO A 14 9.369 11.757 -7.438 1.00 1.24 H new ATOM 0 HG2 PRO A 14 9.132 13.698 -9.796 1.00 1.36 H new ATOM 0 HG3 PRO A 14 9.740 14.029 -8.186 1.00 1.36 H new ATOM 0 HD2 PRO A 14 11.425 13.422 -10.282 1.00 1.30 H new ATOM 0 HD3 PRO A 14 11.831 13.034 -8.622 1.00 1.30 H new ATOM 221 N LYS A 15 7.603 10.288 -10.579 1.00 0.90 N ATOM 222 CA LYS A 15 6.678 10.159 -11.713 1.00 1.00 C ATOM 223 C LYS A 15 5.209 10.333 -11.287 1.00 1.21 C ATOM 224 O LYS A 15 4.841 9.791 -10.246 1.00 1.30 O ATOM 225 CB LYS A 15 6.944 8.819 -12.437 1.00 1.17 C ATOM 226 CG LYS A 15 6.224 7.589 -11.855 1.00 1.78 C ATOM 227 CD LYS A 15 6.456 6.320 -12.687 1.00 1.74 C ATOM 228 CE LYS A 15 5.485 5.229 -12.213 1.00 2.02 C ATOM 229 NZ LYS A 15 5.543 4.007 -13.048 1.00 2.70 N ATOM 0 H LYS A 15 7.227 9.948 -9.694 1.00 0.90 H new ATOM 0 HA LYS A 15 6.864 10.969 -12.419 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.651 8.928 -13.481 1.00 1.17 H new ATOM 0 HB3 LYS A 15 8.017 8.628 -12.425 1.00 1.17 H new ATOM 0 HG2 LYS A 15 6.570 7.419 -10.836 1.00 1.78 H new ATOM 0 HG3 LYS A 15 5.154 7.792 -11.799 1.00 1.78 H new ATOM 0 HD2 LYS A 15 6.300 6.529 -13.745 1.00 1.74 H new ATOM 0 HD3 LYS A 15 7.486 5.981 -12.578 1.00 1.74 H new ATOM 0 HE2 LYS A 15 5.714 4.969 -11.180 1.00 2.02 H new ATOM 0 HE3 LYS A 15 4.469 5.623 -12.224 1.00 2.02 H new ATOM 0 HZ1 LYS A 15 4.650 3.481 -12.956 1.00 2.70 H new ATOM 0 HZ2 LYS A 15 5.687 4.273 -14.043 1.00 2.70 H new ATOM 0 HZ3 LYS A 15 6.332 3.408 -12.732 1.00 2.70 H new ATOM 243 N PRO A 16 4.351 11.042 -12.049 1.00 0.95 N ATOM 244 CA PRO A 16 2.918 11.092 -11.770 1.00 0.97 C ATOM 245 C PRO A 16 2.295 9.708 -12.011 1.00 1.07 C ATOM 246 O PRO A 16 2.831 8.922 -12.792 1.00 0.91 O ATOM 247 CB PRO A 16 2.353 12.151 -12.720 1.00 1.21 C ATOM 248 CG PRO A 16 3.295 12.075 -13.922 1.00 1.20 C ATOM 249 CD PRO A 16 4.650 11.752 -13.287 1.00 1.10 C ATOM 0 HA PRO A 16 2.697 11.352 -10.735 1.00 0.97 H new ATOM 0 HB2 PRO A 16 1.323 11.932 -13.001 1.00 1.21 H new ATOM 0 HB3 PRO A 16 2.357 13.142 -12.267 1.00 1.21 H new ATOM 0 HG2 PRO A 16 2.987 11.303 -14.627 1.00 1.20 H new ATOM 0 HG3 PRO A 16 3.322 13.016 -14.472 1.00 1.20 H new ATOM 0 HD2 PRO A 16 5.257 11.138 -13.953 1.00 1.10 H new ATOM 0 HD3 PRO A 16 5.216 12.662 -13.089 1.00 1.10 H new ATOM 257 N VAL A 17 1.176 9.421 -11.342 1.00 0.76 N ATOM 258 CA VAL A 17 0.445 8.141 -11.369 1.00 0.75 C ATOM 259 C VAL A 17 -1.045 8.363 -11.040 1.00 1.25 C ATOM 260 O VAL A 17 -1.398 9.317 -10.351 1.00 1.39 O ATOM 261 CB VAL A 17 1.035 7.105 -10.371 1.00 0.73 C ATOM 262 CG1 VAL A 17 2.384 6.524 -10.831 1.00 0.76 C ATOM 263 CG2 VAL A 17 1.217 7.651 -8.940 1.00 0.93 C ATOM 0 H VAL A 17 0.728 10.107 -10.734 1.00 0.76 H new ATOM 0 HA VAL A 17 0.550 7.742 -12.378 1.00 0.75 H new ATOM 0 HB VAL A 17 0.282 6.317 -10.355 1.00 0.73 H new ATOM 0 HG11 VAL A 17 2.743 5.808 -10.092 1.00 0.76 H new ATOM 0 HG12 VAL A 17 2.256 6.022 -11.790 1.00 0.76 H new ATOM 0 HG13 VAL A 17 3.110 7.330 -10.937 1.00 0.76 H new ATOM 0 HG21 VAL A 17 1.633 6.870 -8.303 1.00 0.93 H new ATOM 0 HG22 VAL A 17 1.896 8.503 -8.959 1.00 0.93 H new ATOM 0 HG23 VAL A 17 0.251 7.966 -8.545 1.00 0.93 H new ATOM 273 N ASP A 18 -1.904 7.444 -11.487 1.00 0.80 N ATOM 274 CA ASP A 18 -3.306 7.307 -11.056 1.00 0.84 C ATOM 275 C ASP A 18 -3.672 5.806 -11.005 1.00 0.94 C ATOM 276 O ASP A 18 -2.823 4.951 -11.254 1.00 1.47 O ATOM 277 CB ASP A 18 -4.245 8.134 -11.974 1.00 1.21 C ATOM 278 CG ASP A 18 -5.725 8.155 -11.534 1.00 1.52 C ATOM 279 OD1 ASP A 18 -6.006 8.266 -10.315 1.00 1.97 O ATOM 280 OD2 ASP A 18 -6.611 8.022 -12.404 1.00 2.46 O ATOM 0 H ASP A 18 -1.638 6.748 -12.184 1.00 0.80 H new ATOM 0 HA ASP A 18 -3.435 7.714 -10.053 1.00 0.84 H new ATOM 0 HB2 ASP A 18 -3.878 9.160 -12.016 1.00 1.21 H new ATOM 0 HB3 ASP A 18 -4.187 7.733 -12.986 1.00 1.21 H new ATOM 285 N PHE A 19 -4.932 5.498 -10.697 1.00 0.84 N ATOM 286 CA PHE A 19 -5.637 4.240 -10.960 1.00 0.87 C ATOM 287 C PHE A 19 -7.119 4.389 -10.607 1.00 1.64 C ATOM 288 O PHE A 19 -7.496 5.328 -9.906 1.00 1.79 O ATOM 289 CB PHE A 19 -5.014 3.048 -10.214 1.00 0.99 C ATOM 290 CG PHE A 19 -4.953 3.141 -8.695 1.00 1.04 C ATOM 291 CD1 PHE A 19 -6.097 2.904 -7.905 1.00 1.82 C ATOM 292 CD2 PHE A 19 -3.721 3.390 -8.065 1.00 2.13 C ATOM 293 CE1 PHE A 19 -6.008 2.929 -6.502 1.00 1.71 C ATOM 294 CE2 PHE A 19 -3.628 3.406 -6.660 1.00 2.08 C ATOM 295 CZ PHE A 19 -4.773 3.176 -5.879 1.00 1.29 C ATOM 0 H PHE A 19 -5.533 6.171 -10.221 1.00 0.84 H new ATOM 0 HA PHE A 19 -5.539 4.025 -12.024 1.00 0.87 H new ATOM 0 HB2 PHE A 19 -5.576 2.152 -10.477 1.00 0.99 H new ATOM 0 HB3 PHE A 19 -3.999 2.908 -10.586 1.00 0.99 H new ATOM 0 HD1 PHE A 19 -7.046 2.702 -8.380 1.00 1.82 H new ATOM 0 HD2 PHE A 19 -2.840 3.570 -8.663 1.00 2.13 H new ATOM 0 HE1 PHE A 19 -6.890 2.758 -5.902 1.00 1.71 H new ATOM 0 HE2 PHE A 19 -2.677 3.595 -6.183 1.00 2.08 H new ATOM 0 HZ PHE A 19 -4.704 3.189 -4.801 1.00 1.29 H new ATOM 305 N ALA A 20 -7.943 3.418 -11.013 1.00 0.79 N ATOM 306 CA ALA A 20 -9.294 3.201 -10.495 1.00 0.73 C ATOM 307 C ALA A 20 -9.420 1.781 -9.916 1.00 0.86 C ATOM 308 O ALA A 20 -9.021 0.817 -10.562 1.00 0.92 O ATOM 309 CB ALA A 20 -10.292 3.436 -11.635 1.00 0.85 C ATOM 0 H ALA A 20 -7.680 2.743 -11.731 1.00 0.79 H new ATOM 0 HA ALA A 20 -9.508 3.899 -9.685 1.00 0.73 H new ATOM 0 HB1 ALA A 20 -11.306 3.279 -11.269 1.00 0.85 H new ATOM 0 HB2 ALA A 20 -10.192 4.458 -12.001 1.00 0.85 H new ATOM 0 HB3 ALA A 20 -10.087 2.738 -12.447 1.00 0.85 H new ATOM 315 N LEU A 21 -9.985 1.659 -8.714 1.00 0.71 N ATOM 316 CA LEU A 21 -10.220 0.412 -7.979 1.00 0.65 C ATOM 317 C LEU A 21 -11.648 0.383 -7.416 1.00 0.98 C ATOM 318 O LEU A 21 -12.334 1.408 -7.383 1.00 1.18 O ATOM 319 CB LEU A 21 -9.210 0.310 -6.810 1.00 0.58 C ATOM 320 CG LEU A 21 -8.269 -0.907 -6.795 1.00 0.76 C ATOM 321 CD1 LEU A 21 -9.013 -2.245 -6.695 1.00 1.18 C ATOM 322 CD2 LEU A 21 -7.330 -0.903 -8.006 1.00 1.11 C ATOM 0 H LEU A 21 -10.310 2.475 -8.196 1.00 0.71 H new ATOM 0 HA LEU A 21 -10.091 -0.429 -8.661 1.00 0.65 H new ATOM 0 HB2 LEU A 21 -8.596 1.211 -6.815 1.00 0.58 H new ATOM 0 HB3 LEU A 21 -9.773 0.313 -5.877 1.00 0.58 H new ATOM 0 HG LEU A 21 -7.672 -0.810 -5.888 1.00 0.76 H new ATOM 0 HD11 LEU A 21 -8.292 -3.063 -6.689 1.00 1.18 H new ATOM 0 HD12 LEU A 21 -9.596 -2.269 -5.775 1.00 1.18 H new ATOM 0 HD13 LEU A 21 -9.680 -2.355 -7.550 1.00 1.18 H new ATOM 0 HD21 LEU A 21 -6.679 -1.776 -7.964 1.00 1.11 H new ATOM 0 HD22 LEU A 21 -7.919 -0.933 -8.923 1.00 1.11 H new ATOM 0 HD23 LEU A 21 -6.724 0.003 -7.993 1.00 1.11 H new ATOM 334 N GLU A 22 -12.045 -0.770 -6.885 1.00 0.75 N ATOM 335 CA GLU A 22 -13.270 -0.960 -6.109 1.00 0.77 C ATOM 336 C GLU A 22 -12.955 -1.005 -4.613 1.00 0.98 C ATOM 337 O GLU A 22 -11.932 -1.540 -4.182 1.00 1.17 O ATOM 338 CB GLU A 22 -13.959 -2.265 -6.531 1.00 1.01 C ATOM 339 CG GLU A 22 -14.774 -2.093 -7.813 1.00 1.53 C ATOM 340 CD GLU A 22 -14.891 -3.410 -8.581 1.00 2.53 C ATOM 341 OE1 GLU A 22 -15.823 -4.189 -8.303 1.00 3.43 O ATOM 342 OE2 GLU A 22 -14.021 -3.673 -9.441 1.00 3.41 O ATOM 0 H GLU A 22 -11.504 -1.629 -6.986 1.00 0.75 H new ATOM 0 HA GLU A 22 -13.937 -0.120 -6.302 1.00 0.77 H new ATOM 0 HB2 GLU A 22 -13.207 -3.040 -6.680 1.00 1.01 H new ATOM 0 HB3 GLU A 22 -14.613 -2.606 -5.728 1.00 1.01 H new ATOM 0 HG2 GLU A 22 -15.770 -1.724 -7.566 1.00 1.53 H new ATOM 0 HG3 GLU A 22 -14.304 -1.341 -8.447 1.00 1.53 H new ATOM 349 N GLY A 23 -13.887 -0.450 -3.841 1.00 0.61 N ATOM 350 CA GLY A 23 -14.022 -0.583 -2.386 1.00 0.58 C ATOM 351 C GLY A 23 -15.488 -0.861 -2.011 1.00 0.70 C ATOM 352 O GLY A 23 -16.365 -0.675 -2.859 1.00 0.83 O ATOM 0 H GLY A 23 -14.616 0.143 -4.237 1.00 0.61 H new ATOM 0 HA2 GLY A 23 -13.387 -1.393 -2.027 1.00 0.58 H new ATOM 0 HA3 GLY A 23 -13.681 0.329 -1.897 1.00 0.58 H new ATOM 356 N PRO A 24 -15.797 -1.281 -0.767 1.00 0.68 N ATOM 357 CA PRO A 24 -17.128 -1.752 -0.345 1.00 0.96 C ATOM 358 C PRO A 24 -18.140 -0.607 -0.088 1.00 1.14 C ATOM 359 O PRO A 24 -18.927 -0.639 0.851 1.00 1.10 O ATOM 360 CB PRO A 24 -16.847 -2.600 0.900 1.00 1.22 C ATOM 361 CG PRO A 24 -15.714 -1.810 1.541 1.00 1.16 C ATOM 362 CD PRO A 24 -14.856 -1.430 0.337 1.00 0.80 C ATOM 0 HA PRO A 24 -17.620 -2.325 -1.131 1.00 0.96 H new ATOM 0 HB2 PRO A 24 -17.717 -2.676 1.552 1.00 1.22 H new ATOM 0 HB3 PRO A 24 -16.549 -3.617 0.647 1.00 1.22 H new ATOM 0 HG2 PRO A 24 -16.081 -0.931 2.072 1.00 1.16 H new ATOM 0 HG3 PRO A 24 -15.159 -2.409 2.263 1.00 1.16 H new ATOM 0 HD2 PRO A 24 -14.311 -0.504 0.518 1.00 0.80 H new ATOM 0 HD3 PRO A 24 -14.115 -2.200 0.122 1.00 0.80 H new ATOM 370 N GLN A 25 -18.121 0.427 -0.929 1.00 1.08 N ATOM 371 CA GLN A 25 -19.050 1.564 -0.886 1.00 1.20 C ATOM 372 C GLN A 25 -19.188 2.255 -2.254 1.00 1.40 C ATOM 373 O GLN A 25 -20.249 2.796 -2.556 1.00 2.08 O ATOM 374 CB GLN A 25 -18.594 2.560 0.200 1.00 1.31 C ATOM 375 CG GLN A 25 -19.647 3.647 0.478 1.00 2.35 C ATOM 376 CD GLN A 25 -19.252 4.567 1.631 1.00 2.59 C ATOM 377 OE1 GLN A 25 -18.984 5.743 1.463 1.00 3.28 O ATOM 378 NE2 GLN A 25 -19.190 4.076 2.852 1.00 2.97 N ATOM 0 H GLN A 25 -17.439 0.502 -1.684 1.00 1.08 H new ATOM 0 HA GLN A 25 -20.040 1.185 -0.633 1.00 1.20 H new ATOM 0 HB2 GLN A 25 -18.384 2.017 1.122 1.00 1.31 H new ATOM 0 HB3 GLN A 25 -17.662 3.032 -0.112 1.00 1.31 H new ATOM 0 HG2 GLN A 25 -19.795 4.243 -0.423 1.00 2.35 H new ATOM 0 HG3 GLN A 25 -20.601 3.173 0.707 1.00 2.35 H new ATOM 0 HE21 GLN A 25 -19.410 3.094 3.019 1.00 2.97 H new ATOM 0 HE22 GLN A 25 -18.922 4.678 3.631 1.00 2.97 H new ATOM 387 N GLY A 26 -18.142 2.214 -3.090 1.00 0.87 N ATOM 388 CA GLY A 26 -18.107 2.779 -4.437 1.00 0.92 C ATOM 389 C GLY A 26 -16.729 2.621 -5.097 1.00 1.03 C ATOM 390 O GLY A 26 -15.805 2.088 -4.473 1.00 1.22 O ATOM 0 H GLY A 26 -17.263 1.767 -2.831 1.00 0.87 H new ATOM 0 HA2 GLY A 26 -18.861 2.291 -5.054 1.00 0.92 H new ATOM 0 HA3 GLY A 26 -18.368 3.836 -4.392 1.00 0.92 H new ATOM 394 N PRO A 27 -16.567 3.063 -6.355 1.00 0.94 N ATOM 395 CA PRO A 27 -15.279 3.091 -7.034 1.00 1.07 C ATOM 396 C PRO A 27 -14.397 4.188 -6.427 1.00 1.16 C ATOM 397 O PRO A 27 -14.879 5.266 -6.087 1.00 1.05 O ATOM 398 CB PRO A 27 -15.602 3.342 -8.509 1.00 1.11 C ATOM 399 CG PRO A 27 -16.907 4.141 -8.454 1.00 1.00 C ATOM 400 CD PRO A 27 -17.614 3.595 -7.211 1.00 0.90 C ATOM 0 HA PRO A 27 -14.718 2.163 -6.925 1.00 1.07 H new ATOM 0 HB2 PRO A 27 -14.809 3.901 -9.005 1.00 1.11 H new ATOM 0 HB3 PRO A 27 -15.725 2.409 -9.058 1.00 1.11 H new ATOM 0 HG2 PRO A 27 -16.718 5.211 -8.370 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -17.506 3.993 -9.353 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -18.172 4.381 -6.702 1.00 0.90 H new ATOM 0 HD3 PRO A 27 -18.331 2.819 -7.479 1.00 0.90 H new ATOM 408 N VAL A 28 -13.097 3.913 -6.309 1.00 0.85 N ATOM 409 CA VAL A 28 -12.098 4.822 -5.714 1.00 0.85 C ATOM 410 C VAL A 28 -10.922 4.993 -6.673 1.00 1.06 C ATOM 411 O VAL A 28 -10.383 4.003 -7.167 1.00 0.98 O ATOM 412 CB VAL A 28 -11.597 4.282 -4.349 1.00 0.99 C ATOM 413 CG1 VAL A 28 -10.504 5.179 -3.736 1.00 1.18 C ATOM 414 CG2 VAL A 28 -12.751 4.154 -3.341 1.00 1.73 C ATOM 0 H VAL A 28 -12.693 3.033 -6.630 1.00 0.85 H new ATOM 0 HA VAL A 28 -12.570 5.789 -5.542 1.00 0.85 H new ATOM 0 HB VAL A 28 -11.174 3.298 -4.550 1.00 0.99 H new ATOM 0 HG11 VAL A 28 -10.184 4.762 -2.781 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -9.652 5.229 -4.414 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -10.902 6.181 -3.579 1.00 1.18 H new ATOM 0 HG21 VAL A 28 -12.367 3.773 -2.395 1.00 1.73 H new ATOM 0 HG22 VAL A 28 -13.205 5.132 -3.181 1.00 1.73 H new ATOM 0 HG23 VAL A 28 -13.501 3.466 -3.732 1.00 1.73 H new ATOM 424 N ARG A 29 -10.499 6.241 -6.916 1.00 0.86 N ATOM 425 CA ARG A 29 -9.289 6.544 -7.684 1.00 0.82 C ATOM 426 C ARG A 29 -8.149 7.058 -6.810 1.00 1.21 C ATOM 427 O ARG A 29 -8.393 7.656 -5.764 1.00 1.41 O ATOM 428 CB ARG A 29 -9.567 7.581 -8.784 1.00 0.86 C ATOM 429 CG ARG A 29 -10.400 7.026 -9.949 1.00 1.03 C ATOM 430 CD ARG A 29 -9.800 7.448 -11.299 1.00 1.72 C ATOM 431 NE ARG A 29 -9.819 8.911 -11.470 1.00 2.05 N ATOM 432 CZ ARG A 29 -9.426 9.587 -12.540 1.00 3.23 C ATOM 433 NH1 ARG A 29 -8.840 9.013 -13.567 1.00 3.98 N ATOM 434 NH2 ARG A 29 -9.600 10.890 -12.554 1.00 4.39 N ATOM 0 H ARG A 29 -10.990 7.071 -6.583 1.00 0.86 H new ATOM 0 HA ARG A 29 -8.984 5.598 -8.132 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -10.089 8.432 -8.347 1.00 0.86 H new ATOM 0 HB3 ARG A 29 -8.618 7.953 -9.170 1.00 0.86 H new ATOM 0 HG2 ARG A 29 -10.440 5.938 -9.888 1.00 1.03 H new ATOM 0 HG3 ARG A 29 -11.426 7.387 -9.873 1.00 1.03 H new ATOM 0 HD2 ARG A 29 -8.774 7.087 -11.370 1.00 1.72 H new ATOM 0 HD3 ARG A 29 -10.360 6.980 -12.108 1.00 1.72 H new ATOM 0 HE ARG A 29 -10.170 9.459 -10.685 1.00 2.05 H new ATOM 0 HH11 ARG A 29 -8.671 8.007 -13.561 1.00 3.98 H new ATOM 0 HH12 ARG A 29 -8.554 9.573 -14.370 1.00 3.98 H new ATOM 0 HH21 ARG A 29 -10.028 11.356 -11.754 1.00 4.39 H new ATOM 0 HH22 ARG A 29 -9.307 11.435 -13.365 1.00 4.39 H new ATOM 448 N LEU A 30 -6.910 6.949 -7.293 1.00 0.81 N ATOM 449 CA LEU A 30 -5.779 7.681 -6.711 1.00 0.86 C ATOM 450 C LEU A 30 -5.931 9.201 -6.913 1.00 1.28 C ATOM 451 O LEU A 30 -5.513 9.974 -6.053 1.00 1.40 O ATOM 452 CB LEU A 30 -4.478 7.101 -7.279 1.00 0.88 C ATOM 453 CG LEU A 30 -3.180 7.691 -6.689 1.00 1.07 C ATOM 454 CD1 LEU A 30 -3.113 7.566 -5.160 1.00 1.81 C ATOM 455 CD2 LEU A 30 -1.981 6.954 -7.297 1.00 2.14 C ATOM 0 H LEU A 30 -6.662 6.360 -8.088 1.00 0.81 H new ATOM 0 HA LEU A 30 -5.754 7.549 -5.629 1.00 0.86 H new ATOM 0 HB2 LEU A 30 -4.477 6.024 -7.112 1.00 0.88 H new ATOM 0 HB3 LEU A 30 -4.471 7.257 -8.358 1.00 0.88 H new ATOM 0 HG LEU A 30 -3.163 8.753 -6.933 1.00 1.07 H new ATOM 0 HD11 LEU A 30 -2.179 7.997 -4.800 1.00 1.81 H new ATOM 0 HD12 LEU A 30 -3.954 8.098 -4.714 1.00 1.81 H new ATOM 0 HD13 LEU A 30 -3.159 6.514 -4.879 1.00 1.81 H new ATOM 0 HD21 LEU A 30 -1.057 7.362 -6.887 1.00 2.14 H new ATOM 0 HD22 LEU A 30 -2.046 5.893 -7.057 1.00 2.14 H new ATOM 0 HD23 LEU A 30 -1.986 7.082 -8.379 1.00 2.14 H new ATOM 467 N SER A 31 -6.662 9.632 -7.945 1.00 1.14 N ATOM 468 CA SER A 31 -7.130 11.021 -8.113 1.00 1.35 C ATOM 469 C SER A 31 -8.002 11.567 -6.956 1.00 1.41 C ATOM 470 O SER A 31 -8.381 12.732 -7.003 1.00 1.89 O ATOM 471 CB SER A 31 -7.871 11.210 -9.451 1.00 1.60 C ATOM 472 OG SER A 31 -9.269 10.922 -9.382 1.00 2.05 O ATOM 0 H SER A 31 -6.954 9.017 -8.705 1.00 1.14 H new ATOM 0 HA SER A 31 -6.213 11.609 -8.104 1.00 1.35 H new ATOM 0 HB2 SER A 31 -7.738 12.238 -9.787 1.00 1.60 H new ATOM 0 HB3 SER A 31 -7.414 10.567 -10.203 1.00 1.60 H new ATOM 0 HG SER A 31 -9.776 11.664 -9.773 1.00 2.05 H new ATOM 478 N GLN A 32 -8.370 10.759 -5.952 1.00 1.04 N ATOM 479 CA GLN A 32 -9.099 11.204 -4.756 1.00 1.13 C ATOM 480 C GLN A 32 -8.154 11.737 -3.667 1.00 1.36 C ATOM 481 O GLN A 32 -8.624 12.311 -2.686 1.00 1.47 O ATOM 482 CB GLN A 32 -9.926 10.033 -4.187 1.00 1.19 C ATOM 483 CG GLN A 32 -11.010 9.483 -5.130 1.00 1.56 C ATOM 484 CD GLN A 32 -12.059 10.533 -5.477 1.00 2.00 C ATOM 485 OE1 GLN A 32 -12.028 11.125 -6.541 1.00 2.71 O ATOM 486 NE2 GLN A 32 -12.993 10.829 -4.594 1.00 2.33 N ATOM 0 H GLN A 32 -8.166 9.760 -5.948 1.00 1.04 H new ATOM 0 HA GLN A 32 -9.755 12.021 -5.057 1.00 1.13 H new ATOM 0 HB2 GLN A 32 -9.247 9.221 -3.926 1.00 1.19 H new ATOM 0 HB3 GLN A 32 -10.402 10.360 -3.262 1.00 1.19 H new ATOM 0 HG2 GLN A 32 -10.543 9.122 -6.046 1.00 1.56 H new ATOM 0 HG3 GLN A 32 -11.496 8.627 -4.662 1.00 1.56 H new ATOM 0 HE21 GLN A 32 -13.025 10.337 -3.701 1.00 2.33 H new ATOM 0 HE22 GLN A 32 -13.683 11.550 -4.804 1.00 2.33 H new ATOM 495 N PHE A 33 -6.836 11.526 -3.807 1.00 1.01 N ATOM 496 CA PHE A 33 -5.837 11.733 -2.750 1.00 1.10 C ATOM 497 C PHE A 33 -4.670 12.632 -3.205 1.00 2.08 C ATOM 498 O PHE A 33 -3.567 12.573 -2.660 1.00 2.54 O ATOM 499 CB PHE A 33 -5.353 10.350 -2.286 1.00 1.35 C ATOM 500 CG PHE A 33 -6.445 9.329 -1.998 1.00 1.20 C ATOM 501 CD1 PHE A 33 -7.551 9.665 -1.193 1.00 1.64 C ATOM 502 CD2 PHE A 33 -6.367 8.039 -2.560 1.00 2.63 C ATOM 503 CE1 PHE A 33 -8.566 8.725 -0.952 1.00 1.65 C ATOM 504 CE2 PHE A 33 -7.381 7.097 -2.320 1.00 2.58 C ATOM 505 CZ PHE A 33 -8.475 7.438 -1.506 1.00 1.49 C ATOM 0 H PHE A 33 -6.426 11.198 -4.682 1.00 1.01 H new ATOM 0 HA PHE A 33 -6.295 12.268 -1.918 1.00 1.10 H new ATOM 0 HB2 PHE A 33 -4.692 9.942 -3.051 1.00 1.35 H new ATOM 0 HB3 PHE A 33 -4.755 10.479 -1.384 1.00 1.35 H new ATOM 0 HD1 PHE A 33 -7.619 10.651 -0.759 1.00 1.64 H new ATOM 0 HD2 PHE A 33 -5.523 7.773 -3.179 1.00 2.63 H new ATOM 0 HE1 PHE A 33 -9.416 8.992 -0.341 1.00 1.65 H new ATOM 0 HE2 PHE A 33 -7.320 6.113 -2.760 1.00 2.58 H new ATOM 0 HZ PHE A 33 -9.247 6.709 -1.306 1.00 1.49 H new ATOM 515 N GLN A 34 -4.901 13.442 -4.237 1.00 1.10 N ATOM 516 CA GLN A 34 -3.943 14.332 -4.880 1.00 1.46 C ATOM 517 C GLN A 34 -3.779 15.606 -4.065 1.00 1.96 C ATOM 518 O GLN A 34 -4.366 16.648 -4.326 1.00 3.87 O ATOM 519 CB GLN A 34 -4.314 14.575 -6.346 1.00 1.57 C ATOM 520 CG GLN A 34 -4.018 13.308 -7.158 1.00 2.10 C ATOM 521 CD GLN A 34 -3.774 13.619 -8.630 1.00 2.33 C ATOM 522 OE1 GLN A 34 -4.553 13.274 -9.504 1.00 2.79 O ATOM 523 NE2 GLN A 34 -2.686 14.288 -8.940 1.00 2.82 N ATOM 0 H GLN A 34 -5.822 13.495 -4.672 1.00 1.10 H new ATOM 0 HA GLN A 34 -2.963 13.855 -4.905 1.00 1.46 H new ATOM 0 HB2 GLN A 34 -5.369 14.836 -6.428 1.00 1.57 H new ATOM 0 HB3 GLN A 34 -3.746 15.417 -6.743 1.00 1.57 H new ATOM 0 HG2 GLN A 34 -3.143 12.807 -6.743 1.00 2.10 H new ATOM 0 HG3 GLN A 34 -4.855 12.615 -7.067 1.00 2.10 H new ATOM 0 HE21 GLN A 34 -2.037 14.575 -8.207 1.00 2.82 H new ATOM 0 HE22 GLN A 34 -2.490 14.521 -9.914 1.00 2.82 H new ATOM 532 N ASP A 35 -2.971 15.423 -3.030 1.00 0.92 N ATOM 533 CA ASP A 35 -2.587 16.344 -1.947 1.00 1.05 C ATOM 534 C ASP A 35 -1.727 15.548 -0.948 1.00 1.22 C ATOM 535 O ASP A 35 -0.638 15.940 -0.520 1.00 1.65 O ATOM 536 CB ASP A 35 -3.874 16.896 -1.283 1.00 1.31 C ATOM 537 CG ASP A 35 -3.691 17.441 0.135 1.00 2.12 C ATOM 538 OD1 ASP A 35 -2.961 18.434 0.314 1.00 2.96 O ATOM 539 OD2 ASP A 35 -4.303 16.857 1.065 1.00 3.12 O ATOM 0 H ASP A 35 -2.510 14.521 -2.907 1.00 0.92 H new ATOM 0 HA ASP A 35 -2.012 17.193 -2.316 1.00 1.05 H new ATOM 0 HB2 ASP A 35 -4.276 17.690 -1.912 1.00 1.31 H new ATOM 0 HB3 ASP A 35 -4.620 16.102 -1.257 1.00 1.31 H new ATOM 544 N LYS A 36 -2.236 14.356 -0.626 1.00 0.89 N ATOM 545 CA LYS A 36 -1.833 13.554 0.516 1.00 0.95 C ATOM 546 C LYS A 36 -0.518 12.792 0.315 1.00 1.13 C ATOM 547 O LYS A 36 0.016 12.662 -0.790 1.00 1.34 O ATOM 548 CB LYS A 36 -3.019 12.622 0.877 1.00 1.23 C ATOM 549 CG LYS A 36 -4.292 13.345 1.277 1.00 1.49 C ATOM 550 CD LYS A 36 -4.062 14.112 2.577 1.00 1.37 C ATOM 551 CE LYS A 36 -5.400 14.714 2.923 1.00 1.60 C ATOM 552 NZ LYS A 36 -5.228 16.065 3.503 1.00 1.85 N ATOM 0 H LYS A 36 -2.968 13.912 -1.180 1.00 0.89 H new ATOM 0 HA LYS A 36 -1.608 14.219 1.350 1.00 0.95 H new ATOM 0 HB2 LYS A 36 -3.234 11.982 0.022 1.00 1.23 H new ATOM 0 HB3 LYS A 36 -2.715 11.969 1.695 1.00 1.23 H new ATOM 0 HG2 LYS A 36 -4.595 14.032 0.487 1.00 1.49 H new ATOM 0 HG3 LYS A 36 -5.104 12.629 1.405 1.00 1.49 H new ATOM 0 HD2 LYS A 36 -3.712 13.449 3.368 1.00 1.37 H new ATOM 0 HD3 LYS A 36 -3.304 14.885 2.449 1.00 1.37 H new ATOM 0 HE2 LYS A 36 -6.021 14.772 2.029 1.00 1.60 H new ATOM 0 HE3 LYS A 36 -5.922 14.071 3.632 1.00 1.60 H new ATOM 0 HZ1 LYS A 36 -6.159 16.457 3.751 1.00 1.85 H new ATOM 0 HZ2 LYS A 36 -4.639 16.003 4.358 1.00 1.85 H new ATOM 0 HZ3 LYS A 36 -4.765 16.685 2.808 1.00 1.85 H new ATOM 566 N VAL A 37 -0.061 12.227 1.428 1.00 0.78 N ATOM 567 CA VAL A 37 0.964 11.195 1.569 1.00 0.74 C ATOM 568 C VAL A 37 0.166 9.899 1.615 1.00 1.14 C ATOM 569 O VAL A 37 -0.557 9.609 2.567 1.00 1.46 O ATOM 570 CB VAL A 37 1.795 11.349 2.872 1.00 0.79 C ATOM 571 CG1 VAL A 37 2.722 10.145 3.116 1.00 1.20 C ATOM 572 CG2 VAL A 37 2.646 12.620 2.832 1.00 1.08 C ATOM 0 H VAL A 37 -0.431 12.504 2.337 1.00 0.78 H new ATOM 0 HA VAL A 37 1.690 11.243 0.757 1.00 0.74 H new ATOM 0 HB VAL A 37 1.075 11.408 3.688 1.00 0.79 H new ATOM 0 HG11 VAL A 37 3.282 10.298 4.038 1.00 1.20 H new ATOM 0 HG12 VAL A 37 2.125 9.237 3.201 1.00 1.20 H new ATOM 0 HG13 VAL A 37 3.416 10.046 2.282 1.00 1.20 H new ATOM 0 HG21 VAL A 37 3.218 12.704 3.756 1.00 1.08 H new ATOM 0 HG22 VAL A 37 3.330 12.573 1.985 1.00 1.08 H new ATOM 0 HG23 VAL A 37 1.997 13.489 2.727 1.00 1.08 H new ATOM 582 N VAL A 38 0.253 9.175 0.509 1.00 0.61 N ATOM 583 CA VAL A 38 -0.458 7.922 0.273 1.00 0.66 C ATOM 584 C VAL A 38 0.561 6.794 0.298 1.00 0.87 C ATOM 585 O VAL A 38 1.613 6.873 -0.343 1.00 0.79 O ATOM 586 CB VAL A 38 -1.239 7.937 -1.058 1.00 0.82 C ATOM 587 CG1 VAL A 38 -1.990 6.618 -1.301 1.00 1.07 C ATOM 588 CG2 VAL A 38 -2.248 9.096 -1.092 1.00 1.19 C ATOM 0 H VAL A 38 0.840 9.451 -0.278 1.00 0.61 H new ATOM 0 HA VAL A 38 -1.203 7.778 1.056 1.00 0.66 H new ATOM 0 HB VAL A 38 -0.499 8.069 -1.848 1.00 0.82 H new ATOM 0 HG11 VAL A 38 -2.526 6.673 -2.249 1.00 1.07 H new ATOM 0 HG12 VAL A 38 -1.277 5.794 -1.335 1.00 1.07 H new ATOM 0 HG13 VAL A 38 -2.701 6.450 -0.492 1.00 1.07 H new ATOM 0 HG21 VAL A 38 -2.785 9.083 -2.041 1.00 1.19 H new ATOM 0 HG22 VAL A 38 -2.958 8.985 -0.272 1.00 1.19 H new ATOM 0 HG23 VAL A 38 -1.718 10.043 -0.987 1.00 1.19 H new ATOM 598 N LEU A 39 0.232 5.752 1.056 1.00 0.64 N ATOM 599 CA LEU A 39 0.984 4.505 1.126 1.00 0.61 C ATOM 600 C LEU A 39 0.181 3.424 0.402 1.00 1.12 C ATOM 601 O LEU A 39 -0.971 3.165 0.755 1.00 1.25 O ATOM 602 CB LEU A 39 1.235 4.177 2.608 1.00 0.70 C ATOM 603 CG LEU A 39 2.434 4.955 3.194 1.00 0.92 C ATOM 604 CD1 LEU A 39 2.295 5.073 4.718 1.00 1.52 C ATOM 605 CD2 LEU A 39 3.753 4.248 2.837 1.00 1.38 C ATOM 0 H LEU A 39 -0.592 5.753 1.657 1.00 0.64 H new ATOM 0 HA LEU A 39 1.956 4.577 0.637 1.00 0.61 H new ATOM 0 HB2 LEU A 39 0.339 4.409 3.184 1.00 0.70 H new ATOM 0 HB3 LEU A 39 1.414 3.107 2.714 1.00 0.70 H new ATOM 0 HG LEU A 39 2.445 5.956 2.763 1.00 0.92 H new ATOM 0 HD11 LEU A 39 3.146 5.623 5.119 1.00 1.52 H new ATOM 0 HD12 LEU A 39 1.374 5.603 4.959 1.00 1.52 H new ATOM 0 HD13 LEU A 39 2.267 4.077 5.159 1.00 1.52 H new ATOM 0 HD21 LEU A 39 4.590 4.806 3.256 1.00 1.38 H new ATOM 0 HD22 LEU A 39 3.748 3.239 3.249 1.00 1.38 H new ATOM 0 HD23 LEU A 39 3.857 4.197 1.753 1.00 1.38 H new ATOM 617 N LEU A 40 0.789 2.819 -0.620 1.00 0.54 N ATOM 618 CA LEU A 40 0.221 1.725 -1.404 1.00 0.54 C ATOM 619 C LEU A 40 0.906 0.425 -0.994 1.00 0.91 C ATOM 620 O LEU A 40 2.134 0.385 -0.898 1.00 1.08 O ATOM 621 CB LEU A 40 0.421 2.009 -2.913 1.00 0.69 C ATOM 622 CG LEU A 40 -0.863 2.226 -3.733 1.00 0.86 C ATOM 623 CD1 LEU A 40 -1.785 1.004 -3.697 1.00 1.77 C ATOM 624 CD2 LEU A 40 -1.585 3.505 -3.290 1.00 1.94 C ATOM 0 H LEU A 40 1.722 3.087 -0.934 1.00 0.54 H new ATOM 0 HA LEU A 40 -0.849 1.636 -1.217 1.00 0.54 H new ATOM 0 HB2 LEU A 40 1.049 2.894 -3.016 1.00 0.69 H new ATOM 0 HB3 LEU A 40 0.971 1.176 -3.350 1.00 0.69 H new ATOM 0 HG LEU A 40 -0.569 2.356 -4.775 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -2.678 1.204 -4.289 1.00 1.77 H new ATOM 0 HD12 LEU A 40 -1.262 0.141 -4.109 1.00 1.77 H new ATOM 0 HD13 LEU A 40 -2.073 0.795 -2.667 1.00 1.77 H new ATOM 0 HD21 LEU A 40 -2.489 3.637 -3.884 1.00 1.94 H new ATOM 0 HD22 LEU A 40 -1.852 3.426 -2.236 1.00 1.94 H new ATOM 0 HD23 LEU A 40 -0.928 4.362 -3.435 1.00 1.94 H new ATOM 636 N PHE A 41 0.134 -0.642 -0.797 1.00 0.54 N ATOM 637 CA PHE A 41 0.651 -1.981 -0.500 1.00 0.51 C ATOM 638 C PHE A 41 -0.183 -3.041 -1.237 1.00 1.39 C ATOM 639 O PHE A 41 -1.414 -2.942 -1.292 1.00 1.76 O ATOM 640 CB PHE A 41 0.683 -2.169 1.030 1.00 0.53 C ATOM 641 CG PHE A 41 0.934 -3.579 1.548 1.00 0.69 C ATOM 642 CD1 PHE A 41 1.918 -4.409 0.973 1.00 1.75 C ATOM 643 CD2 PHE A 41 0.166 -4.064 2.624 1.00 2.07 C ATOM 644 CE1 PHE A 41 2.075 -5.735 1.417 1.00 1.73 C ATOM 645 CE2 PHE A 41 0.333 -5.383 3.080 1.00 2.13 C ATOM 646 CZ PHE A 41 1.277 -6.223 2.465 1.00 1.23 C ATOM 0 H PHE A 41 -0.884 -0.602 -0.839 1.00 0.54 H new ATOM 0 HA PHE A 41 1.672 -2.100 -0.862 1.00 0.51 H new ATOM 0 HB2 PHE A 41 1.456 -1.516 1.435 1.00 0.53 H new ATOM 0 HB3 PHE A 41 -0.269 -1.824 1.434 1.00 0.53 H new ATOM 0 HD1 PHE A 41 2.554 -4.026 0.189 1.00 1.75 H new ATOM 0 HD2 PHE A 41 -0.556 -3.418 3.102 1.00 2.07 H new ATOM 0 HE1 PHE A 41 2.809 -6.377 0.952 1.00 1.73 H new ATOM 0 HE2 PHE A 41 -0.263 -5.750 3.902 1.00 2.13 H new ATOM 0 HZ PHE A 41 1.389 -7.244 2.798 1.00 1.23 H new ATOM 656 N PHE A 42 0.508 -4.037 -1.807 1.00 0.55 N ATOM 657 CA PHE A 42 -0.067 -5.113 -2.615 1.00 0.59 C ATOM 658 C PHE A 42 0.092 -6.464 -1.895 1.00 1.83 C ATOM 659 O PHE A 42 1.204 -6.975 -1.726 1.00 2.23 O ATOM 660 CB PHE A 42 0.577 -5.090 -4.010 1.00 0.63 C ATOM 661 CG PHE A 42 0.229 -3.850 -4.823 1.00 0.70 C ATOM 662 CD1 PHE A 42 0.909 -2.637 -4.596 1.00 2.10 C ATOM 663 CD2 PHE A 42 -0.775 -3.904 -5.811 1.00 1.69 C ATOM 664 CE1 PHE A 42 0.616 -1.500 -5.371 1.00 2.19 C ATOM 665 CE2 PHE A 42 -1.074 -2.765 -6.581 1.00 1.48 C ATOM 666 CZ PHE A 42 -0.374 -1.564 -6.366 1.00 0.97 C ATOM 0 H PHE A 42 1.521 -4.116 -1.713 1.00 0.55 H new ATOM 0 HA PHE A 42 -1.139 -4.964 -2.746 1.00 0.59 H new ATOM 0 HB2 PHE A 42 1.660 -5.151 -3.902 1.00 0.63 H new ATOM 0 HB3 PHE A 42 0.261 -5.976 -4.561 1.00 0.63 H new ATOM 0 HD1 PHE A 42 1.660 -2.580 -3.822 1.00 2.10 H new ATOM 0 HD2 PHE A 42 -1.317 -4.823 -5.978 1.00 1.69 H new ATOM 0 HE1 PHE A 42 1.152 -0.578 -5.201 1.00 2.19 H new ATOM 0 HE2 PHE A 42 -1.842 -2.813 -7.338 1.00 1.48 H new ATOM 0 HZ PHE A 42 -0.597 -0.693 -6.964 1.00 0.97 H new ATOM 676 N GLY A 43 -1.036 -7.002 -1.408 1.00 0.66 N ATOM 677 CA GLY A 43 -1.126 -8.233 -0.609 1.00 0.77 C ATOM 678 C GLY A 43 -2.394 -9.062 -0.838 1.00 0.87 C ATOM 679 O GLY A 43 -3.253 -8.709 -1.634 1.00 0.90 O ATOM 0 H GLY A 43 -1.948 -6.574 -1.567 1.00 0.66 H new ATOM 0 HA2 GLY A 43 -0.259 -8.855 -0.829 1.00 0.77 H new ATOM 0 HA3 GLY A 43 -1.069 -7.968 0.447 1.00 0.77 H new ATOM 683 N PHE A 44 -2.518 -10.155 -0.083 1.00 0.98 N ATOM 684 CA PHE A 44 -3.757 -10.935 0.065 1.00 1.03 C ATOM 685 C PHE A 44 -4.669 -10.252 1.113 1.00 2.00 C ATOM 686 O PHE A 44 -4.977 -9.073 0.962 1.00 3.61 O ATOM 687 CB PHE A 44 -3.354 -12.390 0.385 1.00 1.93 C ATOM 688 CG PHE A 44 -2.620 -13.084 -0.744 1.00 1.78 C ATOM 689 CD1 PHE A 44 -3.339 -13.551 -1.860 1.00 1.99 C ATOM 690 CD2 PHE A 44 -1.225 -13.263 -0.686 1.00 3.66 C ATOM 691 CE1 PHE A 44 -2.666 -14.194 -2.916 1.00 3.21 C ATOM 692 CE2 PHE A 44 -0.555 -13.919 -1.733 1.00 4.57 C ATOM 693 CZ PHE A 44 -1.275 -14.382 -2.849 1.00 4.23 C ATOM 0 H PHE A 44 -1.742 -10.536 0.458 1.00 0.98 H new ATOM 0 HA PHE A 44 -4.354 -10.968 -0.846 1.00 1.03 H new ATOM 0 HB2 PHE A 44 -2.723 -12.395 1.274 1.00 1.93 H new ATOM 0 HB3 PHE A 44 -4.251 -12.960 0.628 1.00 1.93 H new ATOM 0 HD1 PHE A 44 -4.409 -13.416 -1.906 1.00 1.99 H new ATOM 0 HD2 PHE A 44 -0.669 -12.896 0.164 1.00 3.66 H new ATOM 0 HE1 PHE A 44 -3.218 -14.542 -3.776 1.00 3.21 H new ATOM 0 HE2 PHE A 44 0.513 -14.068 -1.681 1.00 4.57 H new ATOM 0 HZ PHE A 44 -0.759 -14.882 -3.655 1.00 4.23 H new ATOM 703 N THR A 45 -5.030 -10.932 2.208 1.00 1.21 N ATOM 704 CA THR A 45 -5.058 -10.377 3.583 1.00 1.70 C ATOM 705 C THR A 45 -4.084 -11.075 4.528 1.00 2.63 C ATOM 706 O THR A 45 -3.894 -10.600 5.646 1.00 3.52 O ATOM 707 CB THR A 45 -6.459 -10.414 4.214 1.00 1.94 C ATOM 708 OG1 THR A 45 -7.033 -11.696 4.074 1.00 2.74 O ATOM 709 CG2 THR A 45 -7.356 -9.326 3.628 1.00 1.21 C ATOM 0 H THR A 45 -5.320 -11.909 2.170 1.00 1.21 H new ATOM 0 HA THR A 45 -4.749 -9.339 3.459 1.00 1.70 H new ATOM 0 HB THR A 45 -6.361 -10.209 5.280 1.00 1.94 H new ATOM 0 HG1 THR A 45 -7.720 -11.672 3.376 1.00 2.74 H new ATOM 0 HG21 THR A 45 -8.340 -9.376 4.093 1.00 1.21 H new ATOM 0 HG22 THR A 45 -6.914 -8.348 3.819 1.00 1.21 H new ATOM 0 HG23 THR A 45 -7.455 -9.476 2.553 1.00 1.21 H new ATOM 717 N ARG A 46 -3.475 -12.196 4.117 1.00 2.73 N ATOM 718 CA ARG A 46 -2.642 -13.041 4.985 1.00 3.34 C ATOM 719 C ARG A 46 -1.142 -12.914 4.673 1.00 3.47 C ATOM 720 O ARG A 46 -0.385 -12.511 5.554 1.00 4.82 O ATOM 721 CB ARG A 46 -3.133 -14.505 4.935 1.00 3.68 C ATOM 722 CG ARG A 46 -4.665 -14.676 5.054 1.00 3.70 C ATOM 723 CD ARG A 46 -5.305 -14.014 6.290 1.00 5.51 C ATOM 724 NE ARG A 46 -6.760 -13.854 6.104 1.00 6.26 N ATOM 725 CZ ARG A 46 -7.751 -14.541 6.665 1.00 7.26 C ATOM 726 NH1 ARG A 46 -7.538 -15.529 7.516 1.00 7.70 N ATOM 727 NH2 ARG A 46 -8.992 -14.237 6.347 1.00 8.49 N ATOM 0 H ARG A 46 -3.548 -12.546 3.162 1.00 2.73 H new ATOM 0 HA ARG A 46 -2.755 -12.682 6.008 1.00 3.34 H new ATOM 0 HB2 ARG A 46 -2.803 -14.953 3.998 1.00 3.68 H new ATOM 0 HB3 ARG A 46 -2.655 -15.062 5.741 1.00 3.68 H new ATOM 0 HG2 ARG A 46 -5.131 -14.264 4.159 1.00 3.70 H new ATOM 0 HG3 ARG A 46 -4.895 -15.741 5.072 1.00 3.70 H new ATOM 0 HD2 ARG A 46 -5.111 -14.621 7.174 1.00 5.51 H new ATOM 0 HD3 ARG A 46 -4.847 -13.041 6.465 1.00 5.51 H new ATOM 0 HE ARG A 46 -7.044 -13.117 5.458 1.00 6.26 H new ATOM 0 HH11 ARG A 46 -6.584 -15.790 7.765 1.00 7.70 H new ATOM 0 HH12 ARG A 46 -8.327 -16.030 7.924 1.00 7.70 H new ATOM 0 HH21 ARG A 46 -9.179 -13.487 5.682 1.00 8.49 H new ATOM 0 HH22 ARG A 46 -9.767 -14.752 6.766 1.00 8.49 H new ATOM 741 N CYS A 47 -0.710 -13.200 3.431 1.00 2.35 N ATOM 742 CA CYS A 47 0.726 -13.280 3.081 1.00 2.52 C ATOM 743 C CYS A 47 1.411 -14.408 3.913 1.00 2.59 C ATOM 744 O CYS A 47 0.685 -15.206 4.509 1.00 2.81 O ATOM 745 CB CYS A 47 1.316 -11.856 3.226 1.00 3.08 C ATOM 746 SG CYS A 47 1.700 -11.192 1.584 1.00 4.50 S ATOM 0 H CYS A 47 -1.337 -13.381 2.647 1.00 2.35 H new ATOM 0 HA CYS A 47 0.905 -13.580 2.049 1.00 2.52 H new ATOM 0 HB2 CYS A 47 0.605 -11.206 3.736 1.00 3.08 H new ATOM 0 HB3 CYS A 47 2.217 -11.885 3.838 1.00 3.08 H new ATOM 0 HG CYS A 47 1.576 -9.898 1.599 1.00 4.50 H new ATOM 752 N PRO A 48 2.753 -14.530 3.961 1.00 2.79 N ATOM 753 CA PRO A 48 3.418 -15.372 4.961 1.00 3.03 C ATOM 754 C PRO A 48 3.269 -14.812 6.386 1.00 2.50 C ATOM 755 O PRO A 48 3.140 -15.591 7.321 1.00 2.94 O ATOM 756 CB PRO A 48 4.885 -15.445 4.525 1.00 3.84 C ATOM 757 CG PRO A 48 5.081 -14.183 3.685 1.00 3.73 C ATOM 758 CD PRO A 48 3.727 -14.013 3.008 1.00 3.22 C ATOM 0 HA PRO A 48 2.965 -16.362 5.006 1.00 3.03 H new ATOM 0 HB2 PRO A 48 5.557 -15.462 5.383 1.00 3.84 H new ATOM 0 HB3 PRO A 48 5.085 -16.346 3.945 1.00 3.84 H new ATOM 0 HG2 PRO A 48 5.335 -13.322 4.303 1.00 3.73 H new ATOM 0 HG3 PRO A 48 5.884 -14.302 2.958 1.00 3.73 H new ATOM 0 HD2 PRO A 48 3.532 -12.966 2.775 1.00 3.22 H new ATOM 0 HD3 PRO A 48 3.686 -14.562 2.067 1.00 3.22 H new ATOM 766 N ASP A 49 3.229 -13.478 6.518 1.00 1.73 N ATOM 767 CA ASP A 49 2.939 -12.673 7.731 1.00 1.38 C ATOM 768 C ASP A 49 2.905 -11.179 7.353 1.00 1.37 C ATOM 769 O ASP A 49 2.157 -10.381 7.892 1.00 1.57 O ATOM 770 CB ASP A 49 3.963 -12.915 8.862 1.00 1.85 C ATOM 771 CG ASP A 49 3.421 -12.512 10.246 1.00 2.96 C ATOM 772 OD1 ASP A 49 2.911 -11.375 10.379 1.00 4.20 O ATOM 773 OD2 ASP A 49 3.531 -13.340 11.173 1.00 3.44 O ATOM 0 H ASP A 49 3.413 -12.876 5.715 1.00 1.73 H new ATOM 0 HA ASP A 49 1.968 -12.987 8.114 1.00 1.38 H new ATOM 0 HB2 ASP A 49 4.240 -13.969 8.877 1.00 1.85 H new ATOM 0 HB3 ASP A 49 4.871 -12.350 8.652 1.00 1.85 H new ATOM 778 N VAL A 50 3.649 -10.828 6.308 1.00 1.37 N ATOM 779 CA VAL A 50 3.693 -9.533 5.605 1.00 1.40 C ATOM 780 C VAL A 50 2.360 -8.756 5.477 1.00 1.41 C ATOM 781 O VAL A 50 2.419 -7.540 5.361 1.00 1.76 O ATOM 782 CB VAL A 50 4.375 -9.763 4.226 1.00 1.51 C ATOM 783 CG1 VAL A 50 4.056 -8.744 3.122 1.00 2.60 C ATOM 784 CG2 VAL A 50 5.893 -9.900 4.405 1.00 1.67 C ATOM 0 H VAL A 50 4.296 -11.496 5.889 1.00 1.37 H new ATOM 0 HA VAL A 50 4.273 -8.860 6.236 1.00 1.40 H new ATOM 0 HB VAL A 50 3.934 -10.691 3.861 1.00 1.51 H new ATOM 0 HG11 VAL A 50 4.591 -9.014 2.212 1.00 2.60 H new ATOM 0 HG12 VAL A 50 2.984 -8.744 2.926 1.00 2.60 H new ATOM 0 HG13 VAL A 50 4.366 -7.750 3.444 1.00 2.60 H new ATOM 0 HG21 VAL A 50 6.361 -10.061 3.434 1.00 1.67 H new ATOM 0 HG22 VAL A 50 6.290 -8.989 4.853 1.00 1.67 H new ATOM 0 HG23 VAL A 50 6.108 -10.748 5.056 1.00 1.67 H new ATOM 794 N CYS A 51 1.159 -9.356 5.519 1.00 1.18 N ATOM 795 CA CYS A 51 -0.049 -8.543 5.750 1.00 1.21 C ATOM 796 C CYS A 51 -0.192 -8.097 7.227 1.00 1.36 C ATOM 797 O CYS A 51 -0.050 -6.899 7.447 1.00 1.54 O ATOM 798 CB CYS A 51 -1.293 -9.205 5.145 1.00 1.37 C ATOM 799 SG CYS A 51 -1.230 -9.178 3.328 1.00 1.54 S ATOM 0 H CYS A 51 0.999 -10.357 5.402 1.00 1.18 H new ATOM 0 HA CYS A 51 0.065 -7.605 5.207 1.00 1.21 H new ATOM 0 HB2 CYS A 51 -1.367 -10.235 5.494 1.00 1.37 H new ATOM 0 HB3 CYS A 51 -2.188 -8.687 5.489 1.00 1.37 H new ATOM 0 HG CYS A 51 -1.923 -8.171 2.885 1.00 1.54 H new ATOM 805 N PRO A 52 -0.410 -8.977 8.232 1.00 1.02 N ATOM 806 CA PRO A 52 -0.464 -8.577 9.638 1.00 1.05 C ATOM 807 C PRO A 52 0.762 -7.776 10.090 1.00 1.24 C ATOM 808 O PRO A 52 0.576 -6.681 10.619 1.00 1.17 O ATOM 809 CB PRO A 52 -0.659 -9.856 10.465 1.00 1.23 C ATOM 810 CG PRO A 52 -0.592 -11.014 9.470 1.00 1.19 C ATOM 811 CD PRO A 52 -0.807 -10.371 8.103 1.00 1.13 C ATOM 0 HA PRO A 52 -1.298 -7.891 9.788 1.00 1.05 H new ATOM 0 HB2 PRO A 52 0.115 -9.950 11.226 1.00 1.23 H new ATOM 0 HB3 PRO A 52 -1.617 -9.843 10.985 1.00 1.23 H new ATOM 0 HG2 PRO A 52 0.371 -11.523 9.520 1.00 1.19 H new ATOM 0 HG3 PRO A 52 -1.358 -11.760 9.680 1.00 1.19 H new ATOM 0 HD2 PRO A 52 -0.213 -10.874 7.340 1.00 1.13 H new ATOM 0 HD3 PRO A 52 -1.850 -10.450 7.797 1.00 1.13 H new ATOM 819 N THR A 53 1.991 -8.259 9.845 1.00 0.84 N ATOM 820 CA THR A 53 3.231 -7.562 10.230 1.00 0.88 C ATOM 821 C THR A 53 3.352 -6.188 9.582 1.00 1.16 C ATOM 822 O THR A 53 3.454 -5.190 10.301 1.00 1.14 O ATOM 823 CB THR A 53 4.447 -8.461 9.960 1.00 1.00 C ATOM 824 OG1 THR A 53 4.468 -9.399 11.003 1.00 1.80 O ATOM 825 CG2 THR A 53 5.792 -7.735 10.007 1.00 1.93 C ATOM 0 H THR A 53 2.154 -9.148 9.372 1.00 0.84 H new ATOM 0 HA THR A 53 3.194 -7.367 11.302 1.00 0.88 H new ATOM 0 HB THR A 53 4.338 -8.874 8.957 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.666 -9.960 10.954 1.00 1.80 H new ATOM 0 HG21 THR A 53 6.595 -8.444 9.806 1.00 1.93 H new ATOM 0 HG22 THR A 53 5.806 -6.947 9.254 1.00 1.93 H new ATOM 0 HG23 THR A 53 5.934 -7.296 10.995 1.00 1.93 H new ATOM 833 N THR A 54 3.316 -6.093 8.245 1.00 0.85 N ATOM 834 CA THR A 54 3.522 -4.807 7.559 1.00 0.82 C ATOM 835 C THR A 54 2.346 -3.856 7.759 1.00 1.00 C ATOM 836 O THR A 54 2.603 -2.669 7.921 1.00 1.04 O ATOM 837 CB THR A 54 3.883 -4.980 6.081 1.00 0.83 C ATOM 838 OG1 THR A 54 4.860 -5.990 5.962 1.00 1.04 O ATOM 839 CG2 THR A 54 4.460 -3.705 5.476 1.00 1.05 C ATOM 0 H THR A 54 3.148 -6.882 7.621 1.00 0.85 H new ATOM 0 HA THR A 54 4.387 -4.341 8.031 1.00 0.82 H new ATOM 0 HB THR A 54 2.966 -5.236 5.550 1.00 0.83 H new ATOM 0 HG1 THR A 54 4.441 -6.814 5.638 1.00 1.04 H new ATOM 0 HG21 THR A 54 4.701 -3.877 4.427 1.00 1.05 H new ATOM 0 HG22 THR A 54 3.727 -2.902 5.553 1.00 1.05 H new ATOM 0 HG23 THR A 54 5.365 -3.424 6.015 1.00 1.05 H new ATOM 847 N LEU A 55 1.093 -4.323 7.870 1.00 0.78 N ATOM 848 CA LEU A 55 -0.035 -3.470 8.278 1.00 0.78 C ATOM 849 C LEU A 55 0.134 -2.989 9.725 1.00 1.17 C ATOM 850 O LEU A 55 -0.256 -1.863 10.037 1.00 1.39 O ATOM 851 CB LEU A 55 -1.388 -4.203 8.130 1.00 0.76 C ATOM 852 CG LEU A 55 -1.850 -4.504 6.686 1.00 0.87 C ATOM 853 CD1 LEU A 55 -3.062 -5.451 6.719 1.00 1.55 C ATOM 854 CD2 LEU A 55 -2.245 -3.244 5.908 1.00 1.25 C ATOM 0 H LEU A 55 0.834 -5.292 7.682 1.00 0.78 H new ATOM 0 HA LEU A 55 -0.037 -2.607 7.613 1.00 0.78 H new ATOM 0 HB2 LEU A 55 -1.327 -5.146 8.673 1.00 0.76 H new ATOM 0 HB3 LEU A 55 -2.157 -3.603 8.617 1.00 0.76 H new ATOM 0 HG LEU A 55 -1.001 -4.960 6.177 1.00 0.87 H new ATOM 0 HD11 LEU A 55 -3.387 -5.662 5.700 1.00 1.55 H new ATOM 0 HD12 LEU A 55 -2.783 -6.382 7.211 1.00 1.55 H new ATOM 0 HD13 LEU A 55 -3.877 -4.980 7.269 1.00 1.55 H new ATOM 0 HD21 LEU A 55 -2.560 -3.521 4.902 1.00 1.25 H new ATOM 0 HD22 LEU A 55 -3.066 -2.743 6.420 1.00 1.25 H new ATOM 0 HD23 LEU A 55 -1.390 -2.571 5.848 1.00 1.25 H new ATOM 866 N LEU A 56 0.726 -3.786 10.619 1.00 0.77 N ATOM 867 CA LEU A 56 1.012 -3.349 11.986 1.00 0.82 C ATOM 868 C LEU A 56 2.126 -2.295 12.006 1.00 1.21 C ATOM 869 O LEU A 56 2.001 -1.311 12.729 1.00 1.32 O ATOM 870 CB LEU A 56 1.287 -4.577 12.870 1.00 0.88 C ATOM 871 CG LEU A 56 1.371 -4.268 14.376 1.00 1.07 C ATOM 872 CD1 LEU A 56 0.827 -5.447 15.195 1.00 1.38 C ATOM 873 CD2 LEU A 56 2.816 -3.989 14.819 1.00 1.49 C ATOM 0 H LEU A 56 1.017 -4.742 10.418 1.00 0.77 H new ATOM 0 HA LEU A 56 0.143 -2.847 12.410 1.00 0.82 H new ATOM 0 HB2 LEU A 56 0.499 -5.312 12.705 1.00 0.88 H new ATOM 0 HB3 LEU A 56 2.223 -5.036 12.553 1.00 0.88 H new ATOM 0 HG LEU A 56 0.769 -3.377 14.553 1.00 1.07 H new ATOM 0 HD11 LEU A 56 0.893 -5.213 16.258 1.00 1.38 H new ATOM 0 HD12 LEU A 56 -0.214 -5.626 14.927 1.00 1.38 H new ATOM 0 HD13 LEU A 56 1.415 -6.340 14.983 1.00 1.38 H new ATOM 0 HD21 LEU A 56 2.834 -3.775 15.888 1.00 1.49 H new ATOM 0 HD22 LEU A 56 3.435 -4.862 14.613 1.00 1.49 H new ATOM 0 HD23 LEU A 56 3.205 -3.131 14.271 1.00 1.49 H new ATOM 885 N ALA A 57 3.180 -2.449 11.198 1.00 0.89 N ATOM 886 CA ALA A 57 4.224 -1.434 11.048 1.00 1.00 C ATOM 887 C ALA A 57 3.691 -0.132 10.418 1.00 1.19 C ATOM 888 O ALA A 57 3.918 0.944 10.977 1.00 1.43 O ATOM 889 CB ALA A 57 5.386 -2.037 10.250 1.00 1.03 C ATOM 0 H ALA A 57 3.332 -3.282 10.630 1.00 0.89 H new ATOM 0 HA ALA A 57 4.584 -1.145 12.035 1.00 1.00 H new ATOM 0 HB1 ALA A 57 6.171 -1.291 10.131 1.00 1.03 H new ATOM 0 HB2 ALA A 57 5.784 -2.901 10.783 1.00 1.03 H new ATOM 0 HB3 ALA A 57 5.030 -2.349 9.268 1.00 1.03 H new ATOM 895 N LEU A 58 2.946 -0.228 9.305 1.00 0.98 N ATOM 896 CA LEU A 58 2.263 0.889 8.643 1.00 1.04 C ATOM 897 C LEU A 58 1.390 1.662 9.641 1.00 1.36 C ATOM 898 O LEU A 58 1.539 2.875 9.766 1.00 1.54 O ATOM 899 CB LEU A 58 1.416 0.356 7.461 1.00 1.02 C ATOM 900 CG LEU A 58 2.222 -0.048 6.206 1.00 1.12 C ATOM 901 CD1 LEU A 58 1.363 -0.923 5.278 1.00 1.30 C ATOM 902 CD2 LEU A 58 2.685 1.180 5.420 1.00 1.66 C ATOM 0 H LEU A 58 2.799 -1.117 8.827 1.00 0.98 H new ATOM 0 HA LEU A 58 3.010 1.581 8.254 1.00 1.04 H new ATOM 0 HB2 LEU A 58 0.848 -0.509 7.803 1.00 1.02 H new ATOM 0 HB3 LEU A 58 0.693 1.121 7.178 1.00 1.02 H new ATOM 0 HG LEU A 58 3.095 -0.604 6.549 1.00 1.12 H new ATOM 0 HD11 LEU A 58 1.944 -1.200 4.398 1.00 1.30 H new ATOM 0 HD12 LEU A 58 1.056 -1.824 5.809 1.00 1.30 H new ATOM 0 HD13 LEU A 58 0.479 -0.366 4.968 1.00 1.30 H new ATOM 0 HD21 LEU A 58 3.249 0.860 4.544 1.00 1.66 H new ATOM 0 HD22 LEU A 58 1.817 1.757 5.102 1.00 1.66 H new ATOM 0 HD23 LEU A 58 3.320 1.799 6.054 1.00 1.66 H new ATOM 914 N LYS A 59 0.537 0.983 10.414 1.00 0.96 N ATOM 915 CA LYS A 59 -0.280 1.670 11.418 1.00 0.98 C ATOM 916 C LYS A 59 0.508 2.186 12.629 1.00 1.11 C ATOM 917 O LYS A 59 0.172 3.263 13.126 1.00 1.17 O ATOM 918 CB LYS A 59 -1.510 0.827 11.775 1.00 1.09 C ATOM 919 CG LYS A 59 -1.434 -0.282 12.836 1.00 1.10 C ATOM 920 CD LYS A 59 -1.478 0.247 14.277 1.00 1.17 C ATOM 921 CE LYS A 59 -1.926 -0.815 15.287 1.00 0.94 C ATOM 922 NZ LYS A 59 -1.915 -0.242 16.652 1.00 1.33 N ATOM 0 H LYS A 59 0.395 -0.026 10.366 1.00 0.96 H new ATOM 0 HA LYS A 59 -0.643 2.591 10.963 1.00 0.98 H new ATOM 0 HB2 LYS A 59 -2.289 1.520 12.094 1.00 1.09 H new ATOM 0 HB3 LYS A 59 -1.856 0.361 10.852 1.00 1.09 H new ATOM 0 HG2 LYS A 59 -2.262 -0.975 12.686 1.00 1.10 H new ATOM 0 HG3 LYS A 59 -0.514 -0.849 12.693 1.00 1.10 H new ATOM 0 HD2 LYS A 59 -0.489 0.612 14.555 1.00 1.17 H new ATOM 0 HD3 LYS A 59 -2.158 1.098 14.326 1.00 1.17 H new ATOM 0 HE2 LYS A 59 -2.927 -1.168 15.038 1.00 0.94 H new ATOM 0 HE3 LYS A 59 -1.263 -1.679 15.239 1.00 0.94 H new ATOM 0 HZ1 LYS A 59 -2.087 -0.997 17.347 1.00 1.33 H new ATOM 0 HZ2 LYS A 59 -0.990 0.195 16.837 1.00 1.33 H new ATOM 0 HZ3 LYS A 59 -2.661 0.478 16.732 1.00 1.33 H new ATOM 936 N ARG A 60 1.561 1.493 13.090 1.00 0.99 N ATOM 937 CA ARG A 60 2.404 2.055 14.152 1.00 1.09 C ATOM 938 C ARG A 60 3.087 3.343 13.690 1.00 1.52 C ATOM 939 O ARG A 60 3.330 4.211 14.524 1.00 1.53 O ATOM 940 CB ARG A 60 3.485 1.098 14.661 1.00 1.10 C ATOM 941 CG ARG A 60 3.030 0.003 15.636 1.00 1.18 C ATOM 942 CD ARG A 60 4.080 -0.226 16.741 1.00 1.33 C ATOM 943 NE ARG A 60 5.454 -0.403 16.211 1.00 2.73 N ATOM 944 CZ ARG A 60 6.528 0.356 16.440 1.00 3.90 C ATOM 945 NH1 ARG A 60 6.511 1.437 17.192 1.00 4.03 N ATOM 946 NH2 ARG A 60 7.679 0.049 15.886 1.00 5.66 N ATOM 0 H ARG A 60 1.842 0.571 12.756 1.00 0.99 H new ATOM 0 HA ARG A 60 1.717 2.252 14.975 1.00 1.09 H new ATOM 0 HB2 ARG A 60 3.947 0.616 13.799 1.00 1.10 H new ATOM 0 HB3 ARG A 60 4.260 1.688 15.149 1.00 1.10 H new ATOM 0 HG2 ARG A 60 2.079 0.285 16.087 1.00 1.18 H new ATOM 0 HG3 ARG A 60 2.862 -0.926 15.092 1.00 1.18 H new ATOM 0 HD2 ARG A 60 4.068 0.621 17.426 1.00 1.33 H new ATOM 0 HD3 ARG A 60 3.804 -1.108 17.319 1.00 1.33 H new ATOM 0 HE ARG A 60 5.596 -1.204 15.595 1.00 2.73 H new ATOM 0 HH11 ARG A 60 5.643 1.735 17.637 1.00 4.03 H new ATOM 0 HH12 ARG A 60 7.366 1.976 17.329 1.00 4.03 H new ATOM 0 HH21 ARG A 60 7.752 -0.769 15.281 1.00 5.66 H new ATOM 0 HH22 ARG A 60 8.500 0.629 16.061 1.00 5.66 H new ATOM 960 N ALA A 61 3.399 3.487 12.396 1.00 1.12 N ATOM 961 CA ALA A 61 3.952 4.732 11.877 1.00 1.14 C ATOM 962 C ALA A 61 2.955 5.873 12.082 1.00 1.22 C ATOM 963 O ALA A 61 3.322 6.893 12.646 1.00 1.25 O ATOM 964 CB ALA A 61 4.385 4.563 10.415 1.00 1.27 C ATOM 0 H ALA A 61 3.276 2.756 11.696 1.00 1.12 H new ATOM 0 HA ALA A 61 4.852 4.994 12.433 1.00 1.14 H new ATOM 0 HB1 ALA A 61 4.795 5.503 10.046 1.00 1.27 H new ATOM 0 HB2 ALA A 61 5.145 3.785 10.348 1.00 1.27 H new ATOM 0 HB3 ALA A 61 3.523 4.281 9.810 1.00 1.27 H new ATOM 970 N TYR A 62 1.682 5.680 11.732 1.00 1.14 N ATOM 971 CA TYR A 62 0.617 6.667 11.951 1.00 1.22 C ATOM 972 C TYR A 62 0.431 7.032 13.445 1.00 1.33 C ATOM 973 O TYR A 62 0.306 8.209 13.782 1.00 1.50 O ATOM 974 CB TYR A 62 -0.664 6.086 11.329 1.00 1.34 C ATOM 975 CG TYR A 62 -1.833 7.041 11.309 1.00 1.89 C ATOM 976 CD1 TYR A 62 -2.600 7.233 12.473 1.00 2.76 C ATOM 977 CD2 TYR A 62 -2.134 7.760 10.139 1.00 2.35 C ATOM 978 CE1 TYR A 62 -3.623 8.197 12.492 1.00 3.26 C ATOM 979 CE2 TYR A 62 -3.171 8.709 10.140 1.00 2.83 C ATOM 980 CZ TYR A 62 -3.906 8.942 11.325 1.00 3.01 C ATOM 981 OH TYR A 62 -4.860 9.913 11.355 1.00 3.67 O ATOM 0 H TYR A 62 1.355 4.824 11.283 1.00 1.14 H new ATOM 0 HA TYR A 62 0.881 7.611 11.475 1.00 1.22 H new ATOM 0 HB2 TYR A 62 -0.448 5.773 10.308 1.00 1.34 H new ATOM 0 HB3 TYR A 62 -0.950 5.192 11.883 1.00 1.34 H new ATOM 0 HD1 TYR A 62 -2.402 6.639 13.353 1.00 2.76 H new ATOM 0 HD2 TYR A 62 -1.567 7.583 9.237 1.00 2.35 H new ATOM 0 HE1 TYR A 62 -4.190 8.368 13.395 1.00 3.26 H new ATOM 0 HE2 TYR A 62 -3.405 9.258 9.240 1.00 2.83 H new ATOM 0 HH TYR A 62 -4.670 10.536 12.088 1.00 3.67 H new ATOM 991 N GLU A 63 0.479 6.034 14.339 1.00 1.03 N ATOM 992 CA GLU A 63 0.439 6.201 15.803 1.00 1.09 C ATOM 993 C GLU A 63 1.694 6.914 16.357 1.00 1.21 C ATOM 994 O GLU A 63 1.671 7.463 17.457 1.00 1.49 O ATOM 995 CB GLU A 63 0.269 4.820 16.478 1.00 1.20 C ATOM 996 CG GLU A 63 -1.087 4.155 16.166 1.00 1.43 C ATOM 997 CD GLU A 63 -1.225 2.732 16.726 1.00 1.94 C ATOM 998 OE1 GLU A 63 -0.270 1.920 16.651 1.00 2.57 O ATOM 999 OE2 GLU A 63 -2.341 2.351 17.136 1.00 2.73 O ATOM 0 H GLU A 63 0.549 5.056 14.056 1.00 1.03 H new ATOM 0 HA GLU A 63 -0.414 6.839 16.035 1.00 1.09 H new ATOM 0 HB2 GLU A 63 1.073 4.161 16.151 1.00 1.20 H new ATOM 0 HB3 GLU A 63 0.370 4.935 17.557 1.00 1.20 H new ATOM 0 HG2 GLU A 63 -1.886 4.774 16.573 1.00 1.43 H new ATOM 0 HG3 GLU A 63 -1.226 4.125 15.085 1.00 1.43 H new ATOM 1006 N LYS A 64 2.797 6.928 15.602 1.00 0.87 N ATOM 1007 CA LYS A 64 4.047 7.622 15.927 1.00 0.91 C ATOM 1008 C LYS A 64 4.208 8.972 15.186 1.00 1.15 C ATOM 1009 O LYS A 64 5.083 9.770 15.535 1.00 1.36 O ATOM 1010 CB LYS A 64 5.182 6.641 15.597 1.00 1.02 C ATOM 1011 CG LYS A 64 6.542 6.985 16.220 1.00 1.48 C ATOM 1012 CD LYS A 64 6.604 6.647 17.716 1.00 2.12 C ATOM 1013 CE LYS A 64 7.909 7.105 18.383 1.00 2.81 C ATOM 1014 NZ LYS A 64 9.119 6.570 17.709 1.00 3.62 N ATOM 0 H LYS A 64 2.845 6.435 14.710 1.00 0.87 H new ATOM 0 HA LYS A 64 4.058 7.899 16.981 1.00 0.91 H new ATOM 0 HB2 LYS A 64 4.889 5.645 15.930 1.00 1.02 H new ATOM 0 HB3 LYS A 64 5.297 6.594 14.514 1.00 1.02 H new ATOM 0 HG2 LYS A 64 7.327 6.441 15.695 1.00 1.48 H new ATOM 0 HG3 LYS A 64 6.743 8.047 16.082 1.00 1.48 H new ATOM 0 HD2 LYS A 64 5.760 7.114 18.223 1.00 2.12 H new ATOM 0 HD3 LYS A 64 6.496 5.570 17.844 1.00 2.12 H new ATOM 0 HE2 LYS A 64 7.950 8.194 18.381 1.00 2.81 H new ATOM 0 HE3 LYS A 64 7.909 6.788 19.426 1.00 2.81 H new ATOM 0 HZ1 LYS A 64 9.888 6.471 18.403 1.00 3.62 H new ATOM 0 HZ2 LYS A 64 8.904 5.640 17.296 1.00 3.62 H new ATOM 0 HZ3 LYS A 64 9.415 7.224 16.956 1.00 3.62 H new ATOM 1028 N LEU A 65 3.379 9.248 14.172 1.00 1.03 N ATOM 1029 CA LEU A 65 3.384 10.458 13.339 1.00 1.22 C ATOM 1030 C LEU A 65 2.588 11.588 14.027 1.00 1.50 C ATOM 1031 O LEU A 65 1.404 11.395 14.322 1.00 1.85 O ATOM 1032 CB LEU A 65 2.768 10.119 11.962 1.00 1.36 C ATOM 1033 CG LEU A 65 3.760 9.486 10.959 1.00 1.48 C ATOM 1034 CD1 LEU A 65 3.023 8.737 9.839 1.00 2.18 C ATOM 1035 CD2 LEU A 65 4.606 10.569 10.299 1.00 1.70 C ATOM 0 H LEU A 65 2.645 8.596 13.895 1.00 1.03 H new ATOM 0 HA LEU A 65 4.408 10.805 13.203 1.00 1.22 H new ATOM 0 HB2 LEU A 65 1.933 9.435 12.109 1.00 1.36 H new ATOM 0 HB3 LEU A 65 2.360 11.031 11.525 1.00 1.36 H new ATOM 0 HG LEU A 65 4.382 8.792 11.523 1.00 1.48 H new ATOM 0 HD11 LEU A 65 3.750 8.304 9.151 1.00 2.18 H new ATOM 0 HD12 LEU A 65 2.415 7.943 10.272 1.00 2.18 H new ATOM 0 HD13 LEU A 65 2.381 9.432 9.298 1.00 2.18 H new ATOM 0 HD21 LEU A 65 5.300 10.110 9.595 1.00 1.70 H new ATOM 0 HD22 LEU A 65 3.957 11.264 9.767 1.00 1.70 H new ATOM 0 HD23 LEU A 65 5.167 11.108 11.062 1.00 1.70 H new ATOM 1047 N PRO A 66 3.183 12.783 14.238 1.00 1.35 N ATOM 1048 CA PRO A 66 2.553 13.857 14.997 1.00 1.48 C ATOM 1049 C PRO A 66 1.254 14.315 14.327 1.00 1.53 C ATOM 1050 O PRO A 66 1.100 14.109 13.117 1.00 1.38 O ATOM 1051 CB PRO A 66 3.583 14.991 15.062 1.00 1.67 C ATOM 1052 CG PRO A 66 4.435 14.772 13.816 1.00 1.64 C ATOM 1053 CD PRO A 66 4.436 13.255 13.665 1.00 1.47 C ATOM 0 HA PRO A 66 2.274 13.527 15.998 1.00 1.48 H new ATOM 0 HB2 PRO A 66 3.103 15.970 15.053 1.00 1.67 H new ATOM 0 HB3 PRO A 66 4.181 14.938 15.972 1.00 1.67 H new ATOM 0 HG2 PRO A 66 4.007 15.264 12.943 1.00 1.64 H new ATOM 0 HG3 PRO A 66 5.443 15.166 13.942 1.00 1.64 H new ATOM 0 HD2 PRO A 66 4.515 12.969 12.616 1.00 1.47 H new ATOM 0 HD3 PRO A 66 5.289 12.814 14.181 1.00 1.47 H new ATOM 1061 N PRO A 67 0.354 14.993 15.071 1.00 1.51 N ATOM 1062 CA PRO A 67 -0.918 15.481 14.547 1.00 1.68 C ATOM 1063 C PRO A 67 -0.752 16.316 13.273 1.00 1.88 C ATOM 1064 O PRO A 67 -1.640 16.287 12.427 1.00 1.88 O ATOM 1065 CB PRO A 67 -1.578 16.275 15.682 1.00 2.04 C ATOM 1066 CG PRO A 67 -0.430 16.584 16.641 1.00 2.04 C ATOM 1067 CD PRO A 67 0.487 15.377 16.468 1.00 1.70 C ATOM 0 HA PRO A 67 -1.548 14.646 14.241 1.00 1.68 H new ATOM 0 HB2 PRO A 67 -2.043 17.188 15.311 1.00 2.04 H new ATOM 0 HB3 PRO A 67 -2.360 15.695 16.171 1.00 2.04 H new ATOM 0 HG2 PRO A 67 0.074 17.515 16.382 1.00 2.04 H new ATOM 0 HG3 PRO A 67 -0.777 16.684 17.669 1.00 2.04 H new ATOM 0 HD2 PRO A 67 1.519 15.629 16.710 1.00 1.70 H new ATOM 0 HD3 PRO A 67 0.194 14.562 17.130 1.00 1.70 H new ATOM 1075 N LYS A 68 0.402 16.977 13.071 1.00 1.75 N ATOM 1076 CA LYS A 68 0.625 17.799 11.874 1.00 1.88 C ATOM 1077 C LYS A 68 1.073 16.982 10.650 1.00 1.93 C ATOM 1078 O LYS A 68 0.839 17.400 9.521 1.00 2.02 O ATOM 1079 CB LYS A 68 1.617 18.932 12.198 1.00 2.18 C ATOM 1080 CG LYS A 68 1.032 20.030 13.113 1.00 2.38 C ATOM 1081 CD LYS A 68 -0.208 20.763 12.562 1.00 2.35 C ATOM 1082 CE LYS A 68 0.053 21.436 11.204 1.00 3.35 C ATOM 1083 NZ LYS A 68 -1.193 21.980 10.620 1.00 3.48 N ATOM 0 H LYS A 68 1.189 16.957 13.719 1.00 1.75 H new ATOM 0 HA LYS A 68 -0.334 18.234 11.593 1.00 1.88 H new ATOM 0 HB2 LYS A 68 2.498 18.505 12.677 1.00 2.18 H new ATOM 0 HB3 LYS A 68 1.950 19.388 11.266 1.00 2.18 H new ATOM 0 HG2 LYS A 68 0.770 19.579 14.070 1.00 2.38 H new ATOM 0 HG3 LYS A 68 1.810 20.767 13.310 1.00 2.38 H new ATOM 0 HD2 LYS A 68 -1.028 20.053 12.459 1.00 2.35 H new ATOM 0 HD3 LYS A 68 -0.528 21.517 13.281 1.00 2.35 H new ATOM 0 HE2 LYS A 68 0.779 22.240 11.329 1.00 3.35 H new ATOM 0 HE3 LYS A 68 0.493 20.713 10.517 1.00 3.35 H new ATOM 0 HZ1 LYS A 68 -1.067 22.115 9.597 1.00 3.48 H new ATOM 0 HZ2 LYS A 68 -1.974 21.314 10.787 1.00 3.48 H new ATOM 0 HZ3 LYS A 68 -1.415 22.893 11.065 1.00 3.48 H new ATOM 1097 N ALA A 69 1.704 15.820 10.837 1.00 1.49 N ATOM 1098 CA ALA A 69 1.946 14.860 9.757 1.00 1.33 C ATOM 1099 C ALA A 69 0.701 14.044 9.383 1.00 1.25 C ATOM 1100 O ALA A 69 0.444 13.859 8.196 1.00 1.26 O ATOM 1101 CB ALA A 69 3.126 13.966 10.150 1.00 1.37 C ATOM 0 H ALA A 69 2.062 15.518 11.743 1.00 1.49 H new ATOM 0 HA ALA A 69 2.194 15.415 8.852 1.00 1.33 H new ATOM 0 HB1 ALA A 69 3.318 13.246 9.355 1.00 1.37 H new ATOM 0 HB2 ALA A 69 4.013 14.581 10.304 1.00 1.37 H new ATOM 0 HB3 ALA A 69 2.889 13.434 11.071 1.00 1.37 H new ATOM 1107 N GLN A 70 -0.098 13.562 10.341 1.00 1.12 N ATOM 1108 CA GLN A 70 -1.220 12.675 9.992 1.00 1.13 C ATOM 1109 C GLN A 70 -2.313 13.346 9.142 1.00 1.18 C ATOM 1110 O GLN A 70 -2.898 12.659 8.311 1.00 1.45 O ATOM 1111 CB GLN A 70 -1.761 11.883 11.182 1.00 1.34 C ATOM 1112 CG GLN A 70 -2.105 12.661 12.446 1.00 1.58 C ATOM 1113 CD GLN A 70 -2.541 11.706 13.556 1.00 1.91 C ATOM 1114 OE1 GLN A 70 -3.715 11.418 13.731 1.00 2.11 O ATOM 1115 NE2 GLN A 70 -1.630 11.139 14.321 1.00 2.94 N ATOM 0 H GLN A 70 0.003 13.761 11.336 1.00 1.12 H new ATOM 0 HA GLN A 70 -0.786 11.928 9.327 1.00 1.13 H new ATOM 0 HB2 GLN A 70 -2.658 11.357 10.856 1.00 1.34 H new ATOM 0 HB3 GLN A 70 -1.024 11.124 11.444 1.00 1.34 H new ATOM 0 HG2 GLN A 70 -1.240 13.238 12.773 1.00 1.58 H new ATOM 0 HG3 GLN A 70 -2.903 13.374 12.236 1.00 1.58 H new ATOM 0 HE21 GLN A 70 -0.644 11.365 14.192 1.00 2.94 H new ATOM 0 HE22 GLN A 70 -1.911 10.474 15.042 1.00 2.94 H new ATOM 1124 N GLU A 71 -2.445 14.682 9.195 1.00 1.20 N ATOM 1125 CA GLU A 71 -3.190 15.534 8.224 1.00 1.40 C ATOM 1126 C GLU A 71 -2.990 15.123 6.756 1.00 1.39 C ATOM 1127 O GLU A 71 -3.849 15.326 5.891 1.00 1.71 O ATOM 1128 CB GLU A 71 -2.694 16.999 8.245 1.00 1.76 C ATOM 1129 CG GLU A 71 -2.490 17.591 9.631 1.00 1.92 C ATOM 1130 CD GLU A 71 -2.181 19.090 9.597 1.00 2.65 C ATOM 1131 OE1 GLU A 71 -1.233 19.527 8.895 1.00 3.63 O ATOM 1132 OE2 GLU A 71 -2.820 19.848 10.354 1.00 3.09 O ATOM 0 H GLU A 71 -2.021 15.231 9.943 1.00 1.20 H new ATOM 0 HA GLU A 71 -4.226 15.416 8.540 1.00 1.40 H new ATOM 0 HB2 GLU A 71 -1.751 17.055 7.701 1.00 1.76 H new ATOM 0 HB3 GLU A 71 -3.411 17.617 7.705 1.00 1.76 H new ATOM 0 HG2 GLU A 71 -3.386 17.423 10.228 1.00 1.92 H new ATOM 0 HG3 GLU A 71 -1.673 17.068 10.128 1.00 1.92 H new ATOM 1139 N ARG A 72 -1.794 14.601 6.486 1.00 0.96 N ATOM 1140 CA ARG A 72 -1.363 14.179 5.165 1.00 0.93 C ATOM 1141 C ARG A 72 -1.478 12.677 4.936 1.00 1.24 C ATOM 1142 O ARG A 72 -1.387 12.296 3.778 1.00 1.60 O ATOM 1143 CB ARG A 72 0.068 14.638 4.870 1.00 1.24 C ATOM 1144 CG ARG A 72 0.192 16.158 5.048 1.00 1.47 C ATOM 1145 CD ARG A 72 1.124 16.483 6.200 1.00 1.30 C ATOM 1146 NE ARG A 72 0.876 17.824 6.728 1.00 2.09 N ATOM 1147 CZ ARG A 72 0.974 18.960 6.058 1.00 2.61 C ATOM 1148 NH1 ARG A 72 1.623 19.054 4.911 1.00 2.98 N ATOM 1149 NH2 ARG A 72 0.371 20.009 6.570 1.00 3.78 N ATOM 0 H ARG A 72 -1.083 14.459 7.203 1.00 0.96 H new ATOM 0 HA ARG A 72 -2.051 14.663 4.472 1.00 0.93 H new ATOM 0 HB2 ARG A 72 0.764 14.130 5.537 1.00 1.24 H new ATOM 0 HB3 ARG A 72 0.342 14.361 3.852 1.00 1.24 H new ATOM 0 HG2 ARG A 72 0.569 16.608 4.130 1.00 1.47 H new ATOM 0 HG3 ARG A 72 -0.791 16.590 5.235 1.00 1.47 H new ATOM 0 HD2 ARG A 72 0.993 15.748 6.994 1.00 1.30 H new ATOM 0 HD3 ARG A 72 2.158 16.408 5.865 1.00 1.30 H new ATOM 0 HE ARG A 72 0.601 17.890 7.708 1.00 2.09 H new ATOM 0 HH11 ARG A 72 2.072 18.231 4.510 1.00 2.98 H new ATOM 0 HH12 ARG A 72 1.675 19.950 4.426 1.00 2.98 H new ATOM 0 HH21 ARG A 72 -0.143 19.924 7.447 1.00 3.78 H new ATOM 0 HH22 ARG A 72 0.417 20.908 6.091 1.00 3.78 H new ATOM 1163 N VAL A 73 -1.648 11.822 5.943 1.00 0.82 N ATOM 1164 CA VAL A 73 -1.372 10.375 5.825 1.00 0.83 C ATOM 1165 C VAL A 73 -2.667 9.563 5.780 1.00 1.15 C ATOM 1166 O VAL A 73 -3.483 9.632 6.694 1.00 1.43 O ATOM 1167 CB VAL A 73 -0.424 9.874 6.941 1.00 0.97 C ATOM 1168 CG1 VAL A 73 -0.164 8.358 6.857 1.00 1.54 C ATOM 1169 CG2 VAL A 73 0.932 10.593 6.813 1.00 2.00 C ATOM 0 H VAL A 73 -1.980 12.103 6.866 1.00 0.82 H new ATOM 0 HA VAL A 73 -0.855 10.222 4.878 1.00 0.83 H new ATOM 0 HB VAL A 73 -0.908 10.089 7.894 1.00 0.97 H new ATOM 0 HG11 VAL A 73 0.507 8.059 7.662 1.00 1.54 H new ATOM 0 HG12 VAL A 73 -1.108 7.821 6.953 1.00 1.54 H new ATOM 0 HG13 VAL A 73 0.293 8.120 5.897 1.00 1.54 H new ATOM 0 HG21 VAL A 73 1.604 10.244 7.597 1.00 2.00 H new ATOM 0 HG22 VAL A 73 1.368 10.376 5.838 1.00 2.00 H new ATOM 0 HG23 VAL A 73 0.785 11.668 6.914 1.00 2.00 H new ATOM 1179 N GLN A 74 -2.824 8.782 4.706 1.00 0.80 N ATOM 1180 CA GLN A 74 -3.909 7.820 4.504 1.00 0.85 C ATOM 1181 C GLN A 74 -3.326 6.580 3.811 1.00 1.11 C ATOM 1182 O GLN A 74 -2.545 6.737 2.869 1.00 1.42 O ATOM 1183 CB GLN A 74 -4.983 8.492 3.637 1.00 0.99 C ATOM 1184 CG GLN A 74 -6.194 7.599 3.321 1.00 1.83 C ATOM 1185 CD GLN A 74 -7.237 8.272 2.419 1.00 2.67 C ATOM 1186 OE1 GLN A 74 -7.084 9.515 2.014 1.00 3.92 O flip ATOM 1187 NE2 GLN A 74 -8.242 7.691 2.051 1.00 3.54 N flip ATOM 0 H GLN A 74 -2.171 8.805 3.923 1.00 0.80 H new ATOM 0 HA GLN A 74 -4.361 7.512 5.447 1.00 0.85 H new ATOM 0 HB2 GLN A 74 -5.332 9.391 4.145 1.00 0.99 H new ATOM 0 HB3 GLN A 74 -4.528 8.812 2.699 1.00 0.99 H new ATOM 0 HG2 GLN A 74 -5.845 6.686 2.839 1.00 1.83 H new ATOM 0 HG3 GLN A 74 -6.671 7.304 4.256 1.00 1.83 H new ATOM 0 HE21 GLN A 74 -8.407 6.726 2.338 1.00 3.54 H new ATOM 0 HE22 GLN A 74 -8.919 8.169 1.456 1.00 3.54 H new ATOM 1196 N VAL A 75 -3.697 5.365 4.243 1.00 0.78 N ATOM 1197 CA VAL A 75 -3.068 4.132 3.738 1.00 0.75 C ATOM 1198 C VAL A 75 -4.077 3.300 2.942 1.00 0.86 C ATOM 1199 O VAL A 75 -5.191 3.047 3.394 1.00 1.10 O ATOM 1200 CB VAL A 75 -2.423 3.311 4.874 1.00 0.81 C ATOM 1201 CG1 VAL A 75 -1.564 2.184 4.271 1.00 0.96 C ATOM 1202 CG2 VAL A 75 -1.542 4.172 5.799 1.00 1.14 C ATOM 0 H VAL A 75 -4.427 5.209 4.938 1.00 0.78 H new ATOM 0 HA VAL A 75 -2.262 4.420 3.063 1.00 0.75 H new ATOM 0 HB VAL A 75 -3.235 2.901 5.475 1.00 0.81 H new ATOM 0 HG11 VAL A 75 -1.109 1.604 5.074 1.00 0.96 H new ATOM 0 HG12 VAL A 75 -2.193 1.532 3.664 1.00 0.96 H new ATOM 0 HG13 VAL A 75 -0.782 2.617 3.647 1.00 0.96 H new ATOM 0 HG21 VAL A 75 -1.113 3.545 6.580 1.00 1.14 H new ATOM 0 HG22 VAL A 75 -0.740 4.627 5.218 1.00 1.14 H new ATOM 0 HG23 VAL A 75 -2.149 4.955 6.254 1.00 1.14 H new ATOM 1212 N ILE A 76 -3.687 2.896 1.734 1.00 0.69 N ATOM 1213 CA ILE A 76 -4.555 2.267 0.735 1.00 0.74 C ATOM 1214 C ILE A 76 -4.012 0.870 0.423 1.00 0.88 C ATOM 1215 O ILE A 76 -2.936 0.712 -0.157 1.00 1.14 O ATOM 1216 CB ILE A 76 -4.612 3.161 -0.525 1.00 0.80 C ATOM 1217 CG1 ILE A 76 -5.136 4.594 -0.257 1.00 1.08 C ATOM 1218 CG2 ILE A 76 -5.442 2.490 -1.628 1.00 0.94 C ATOM 1219 CD1 ILE A 76 -6.547 4.697 0.334 1.00 1.43 C ATOM 0 H ILE A 76 -2.725 3.000 1.411 1.00 0.69 H new ATOM 0 HA ILE A 76 -5.572 2.161 1.112 1.00 0.74 H new ATOM 0 HB ILE A 76 -3.579 3.272 -0.855 1.00 0.80 H new ATOM 0 HG12 ILE A 76 -4.443 5.091 0.421 1.00 1.08 H new ATOM 0 HG13 ILE A 76 -5.116 5.148 -1.196 1.00 1.08 H new ATOM 0 HG21 ILE A 76 -5.470 3.135 -2.506 1.00 0.94 H new ATOM 0 HG22 ILE A 76 -4.989 1.535 -1.894 1.00 0.94 H new ATOM 0 HG23 ILE A 76 -6.457 2.323 -1.268 1.00 0.94 H new ATOM 0 HD11 ILE A 76 -6.805 5.746 0.478 1.00 1.43 H new ATOM 0 HD12 ILE A 76 -7.262 4.238 -0.349 1.00 1.43 H new ATOM 0 HD13 ILE A 76 -6.578 4.181 1.293 1.00 1.43 H new ATOM 1231 N PHE A 77 -4.757 -0.157 0.828 1.00 0.69 N ATOM 1232 CA PHE A 77 -4.348 -1.545 0.639 1.00 0.62 C ATOM 1233 C PHE A 77 -5.061 -2.133 -0.583 1.00 1.43 C ATOM 1234 O PHE A 77 -6.284 -2.263 -0.557 1.00 1.76 O ATOM 1235 CB PHE A 77 -4.641 -2.318 1.932 1.00 0.68 C ATOM 1236 CG PHE A 77 -4.242 -3.777 1.874 1.00 0.83 C ATOM 1237 CD1 PHE A 77 -2.954 -4.136 1.439 1.00 2.35 C ATOM 1238 CD2 PHE A 77 -5.164 -4.781 2.227 1.00 1.50 C ATOM 1239 CE1 PHE A 77 -2.593 -5.487 1.332 1.00 2.28 C ATOM 1240 CE2 PHE A 77 -4.794 -6.136 2.138 1.00 1.55 C ATOM 1241 CZ PHE A 77 -3.509 -6.487 1.685 1.00 1.21 C ATOM 0 H PHE A 77 -5.658 -0.050 1.295 1.00 0.69 H new ATOM 0 HA PHE A 77 -3.279 -1.618 0.440 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -4.115 -1.839 2.758 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -5.707 -2.251 2.151 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -2.239 -3.367 1.186 1.00 2.35 H new ATOM 0 HD2 PHE A 77 -6.154 -4.512 2.566 1.00 1.50 H new ATOM 0 HE1 PHE A 77 -1.609 -5.757 0.978 1.00 2.28 H new ATOM 0 HE2 PHE A 77 -5.497 -6.907 2.418 1.00 1.55 H new ATOM 0 HZ PHE A 77 -3.229 -7.527 1.609 1.00 1.21 H new ATOM 1251 N VAL A 78 -4.312 -2.496 -1.634 1.00 0.54 N ATOM 1252 CA VAL A 78 -4.862 -3.131 -2.848 1.00 0.49 C ATOM 1253 C VAL A 78 -4.636 -4.637 -2.760 1.00 0.78 C ATOM 1254 O VAL A 78 -3.496 -5.080 -2.588 1.00 1.03 O ATOM 1255 CB VAL A 78 -4.257 -2.554 -4.146 1.00 0.58 C ATOM 1256 CG1 VAL A 78 -4.752 -3.279 -5.411 1.00 1.04 C ATOM 1257 CG2 VAL A 78 -4.616 -1.063 -4.283 1.00 1.14 C ATOM 0 H VAL A 78 -3.302 -2.358 -1.669 1.00 0.54 H new ATOM 0 HA VAL A 78 -5.930 -2.916 -2.894 1.00 0.49 H new ATOM 0 HB VAL A 78 -3.179 -2.695 -4.066 1.00 0.58 H new ATOM 0 HG11 VAL A 78 -4.293 -2.829 -6.291 1.00 1.04 H new ATOM 0 HG12 VAL A 78 -4.478 -4.333 -5.357 1.00 1.04 H new ATOM 0 HG13 VAL A 78 -5.836 -3.189 -5.481 1.00 1.04 H new ATOM 0 HG21 VAL A 78 -4.184 -0.668 -5.202 1.00 1.14 H new ATOM 0 HG22 VAL A 78 -5.700 -0.951 -4.314 1.00 1.14 H new ATOM 0 HG23 VAL A 78 -4.219 -0.513 -3.430 1.00 1.14 H new ATOM 1267 N SER A 79 -5.707 -5.429 -2.857 1.00 0.54 N ATOM 1268 CA SER A 79 -5.563 -6.885 -2.861 1.00 0.73 C ATOM 1269 C SER A 79 -5.263 -7.481 -4.243 1.00 0.80 C ATOM 1270 O SER A 79 -5.605 -6.887 -5.263 1.00 1.07 O ATOM 1271 CB SER A 79 -6.720 -7.615 -2.185 1.00 1.34 C ATOM 1272 OG SER A 79 -6.237 -8.873 -1.743 1.00 3.08 O ATOM 0 H SER A 79 -6.667 -5.093 -2.933 1.00 0.54 H new ATOM 0 HA SER A 79 -4.676 -7.057 -2.251 1.00 0.73 H new ATOM 0 HB2 SER A 79 -7.100 -7.034 -1.344 1.00 1.34 H new ATOM 0 HB3 SER A 79 -7.548 -7.747 -2.881 1.00 1.34 H new ATOM 0 HG SER A 79 -5.259 -8.845 -1.684 1.00 3.08 H new ATOM 1278 N VAL A 80 -4.619 -8.651 -4.263 1.00 0.73 N ATOM 1279 CA VAL A 80 -4.011 -9.224 -5.488 1.00 0.77 C ATOM 1280 C VAL A 80 -4.832 -10.348 -6.142 1.00 1.21 C ATOM 1281 O VAL A 80 -4.673 -10.603 -7.335 1.00 1.33 O ATOM 1282 CB VAL A 80 -2.557 -9.698 -5.252 1.00 0.87 C ATOM 1283 CG1 VAL A 80 -1.670 -8.515 -4.822 1.00 1.96 C ATOM 1284 CG2 VAL A 80 -2.459 -10.864 -4.251 1.00 2.28 C ATOM 0 H VAL A 80 -4.499 -9.235 -3.435 1.00 0.73 H new ATOM 0 HA VAL A 80 -4.006 -8.394 -6.194 1.00 0.77 H new ATOM 0 HB VAL A 80 -2.190 -10.086 -6.202 1.00 0.87 H new ATOM 0 HG11 VAL A 80 -0.650 -8.865 -4.660 1.00 1.96 H new ATOM 0 HG12 VAL A 80 -1.673 -7.755 -5.603 1.00 1.96 H new ATOM 0 HG13 VAL A 80 -2.058 -8.087 -3.898 1.00 1.96 H new ATOM 0 HG21 VAL A 80 -1.415 -11.151 -4.128 1.00 2.28 H new ATOM 0 HG22 VAL A 80 -2.866 -10.553 -3.289 1.00 2.28 H new ATOM 0 HG23 VAL A 80 -3.027 -11.715 -4.627 1.00 2.28 H new ATOM 1294 N ASP A 81 -5.729 -10.998 -5.389 1.00 0.86 N ATOM 1295 CA ASP A 81 -6.619 -12.040 -5.900 1.00 0.87 C ATOM 1296 C ASP A 81 -8.011 -11.922 -5.244 1.00 1.33 C ATOM 1297 O ASP A 81 -8.161 -12.286 -4.073 1.00 1.73 O ATOM 1298 CB ASP A 81 -6.007 -13.437 -5.683 1.00 1.15 C ATOM 1299 CG ASP A 81 -6.834 -14.537 -6.367 1.00 1.78 C ATOM 1300 OD1 ASP A 81 -7.968 -14.273 -6.828 1.00 2.49 O ATOM 1301 OD2 ASP A 81 -6.341 -15.682 -6.499 1.00 2.79 O ATOM 0 H ASP A 81 -5.856 -10.810 -4.395 1.00 0.86 H new ATOM 0 HA ASP A 81 -6.741 -11.902 -6.974 1.00 0.87 H new ATOM 0 HB2 ASP A 81 -4.989 -13.452 -6.073 1.00 1.15 H new ATOM 0 HB3 ASP A 81 -5.942 -13.643 -4.615 1.00 1.15 H new ATOM 1306 N PRO A 82 -9.045 -11.450 -5.977 1.00 1.46 N ATOM 1307 CA PRO A 82 -10.380 -11.225 -5.425 1.00 2.07 C ATOM 1308 C PRO A 82 -11.142 -12.525 -5.133 1.00 2.56 C ATOM 1309 O PRO A 82 -12.098 -12.491 -4.361 1.00 3.13 O ATOM 1310 CB PRO A 82 -11.103 -10.370 -6.472 1.00 2.39 C ATOM 1311 CG PRO A 82 -10.467 -10.826 -7.783 1.00 2.28 C ATOM 1312 CD PRO A 82 -9.014 -11.057 -7.380 1.00 1.62 C ATOM 0 HA PRO A 82 -10.319 -10.731 -4.455 1.00 2.07 H new ATOM 0 HB2 PRO A 82 -12.179 -10.544 -6.463 1.00 2.39 H new ATOM 0 HB3 PRO A 82 -10.951 -9.305 -6.298 1.00 2.39 H new ATOM 0 HG2 PRO A 82 -10.932 -11.735 -8.165 1.00 2.28 H new ATOM 0 HG3 PRO A 82 -10.557 -10.070 -8.563 1.00 2.28 H new ATOM 0 HD2 PRO A 82 -8.558 -11.834 -7.993 1.00 1.62 H new ATOM 0 HD3 PRO A 82 -8.422 -10.153 -7.519 1.00 1.62 H new ATOM 1320 N GLU A 83 -10.723 -13.671 -5.693 1.00 2.14 N ATOM 1321 CA GLU A 83 -11.291 -14.986 -5.351 1.00 2.52 C ATOM 1322 C GLU A 83 -10.848 -15.444 -3.953 1.00 2.83 C ATOM 1323 O GLU A 83 -11.445 -16.358 -3.380 1.00 3.37 O ATOM 1324 CB GLU A 83 -10.850 -16.036 -6.383 1.00 2.40 C ATOM 1325 CG GLU A 83 -11.482 -15.839 -7.768 1.00 2.44 C ATOM 1326 CD GLU A 83 -10.555 -16.353 -8.864 1.00 2.28 C ATOM 1327 OE1 GLU A 83 -9.955 -17.439 -8.718 1.00 3.13 O ATOM 1328 OE2 GLU A 83 -10.274 -15.568 -9.798 1.00 2.39 O ATOM 0 H GLU A 83 -9.983 -13.713 -6.394 1.00 2.14 H new ATOM 0 HA GLU A 83 -12.376 -14.886 -5.358 1.00 2.52 H new ATOM 0 HB2 GLU A 83 -9.765 -16.004 -6.480 1.00 2.40 H new ATOM 0 HB3 GLU A 83 -11.108 -17.028 -6.013 1.00 2.40 H new ATOM 0 HG2 GLU A 83 -12.436 -16.365 -7.816 1.00 2.44 H new ATOM 0 HG3 GLU A 83 -11.693 -14.782 -7.930 1.00 2.44 H new ATOM 1335 N ARG A 84 -9.783 -14.842 -3.408 1.00 2.41 N ATOM 1336 CA ARG A 84 -9.289 -15.064 -2.043 1.00 2.69 C ATOM 1337 C ARG A 84 -9.656 -13.896 -1.128 1.00 2.32 C ATOM 1338 O ARG A 84 -10.082 -14.112 0.005 1.00 2.49 O ATOM 1339 CB ARG A 84 -7.759 -15.273 -2.071 1.00 2.97 C ATOM 1340 CG ARG A 84 -7.244 -16.352 -3.051 1.00 3.45 C ATOM 1341 CD ARG A 84 -7.621 -17.805 -2.714 1.00 3.19 C ATOM 1342 NE ARG A 84 -9.073 -18.030 -2.764 1.00 2.79 N ATOM 1343 CZ ARG A 84 -9.768 -18.909 -2.059 1.00 3.50 C ATOM 1344 NH1 ARG A 84 -9.199 -19.926 -1.444 1.00 4.62 N ATOM 1345 NH2 ARG A 84 -11.069 -18.739 -1.963 1.00 4.15 N ATOM 0 H ARG A 84 -9.222 -14.163 -3.923 1.00 2.41 H new ATOM 0 HA ARG A 84 -9.764 -15.959 -1.642 1.00 2.69 H new ATOM 0 HB2 ARG A 84 -7.286 -14.324 -2.324 1.00 2.97 H new ATOM 0 HB3 ARG A 84 -7.429 -15.535 -1.066 1.00 2.97 H new ATOM 0 HG2 ARG A 84 -7.623 -16.121 -4.046 1.00 3.45 H new ATOM 0 HG3 ARG A 84 -6.157 -16.281 -3.099 1.00 3.45 H new ATOM 0 HD2 ARG A 84 -7.127 -18.478 -3.415 1.00 3.19 H new ATOM 0 HD3 ARG A 84 -7.251 -18.053 -1.719 1.00 3.19 H new ATOM 0 HE ARG A 84 -9.602 -17.446 -3.412 1.00 2.79 H new ATOM 0 HH11 ARG A 84 -8.189 -20.057 -1.502 1.00 4.62 H new ATOM 0 HH12 ARG A 84 -9.768 -20.583 -0.910 1.00 4.62 H new ATOM 0 HH21 ARG A 84 -11.515 -17.947 -2.425 1.00 4.15 H new ATOM 0 HH22 ARG A 84 -11.631 -19.400 -1.427 1.00 4.15 H new ATOM 1359 N ASP A 85 -9.519 -12.668 -1.624 1.00 1.77 N ATOM 1360 CA ASP A 85 -9.547 -11.433 -0.843 1.00 1.53 C ATOM 1361 C ASP A 85 -10.313 -10.317 -1.598 1.00 1.48 C ATOM 1362 O ASP A 85 -9.714 -9.407 -2.182 1.00 1.75 O ATOM 1363 CB ASP A 85 -8.089 -11.103 -0.461 1.00 1.88 C ATOM 1364 CG ASP A 85 -7.661 -11.919 0.769 1.00 2.39 C ATOM 1365 OD1 ASP A 85 -8.308 -11.774 1.832 1.00 3.21 O ATOM 1366 OD2 ASP A 85 -6.641 -12.640 0.692 1.00 3.11 O ATOM 0 H ASP A 85 -9.380 -12.499 -2.620 1.00 1.77 H new ATOM 0 HA ASP A 85 -10.110 -11.540 0.084 1.00 1.53 H new ATOM 0 HB2 ASP A 85 -7.428 -11.323 -1.299 1.00 1.88 H new ATOM 0 HB3 ASP A 85 -7.993 -10.038 -0.250 1.00 1.88 H new ATOM 1371 N PRO A 86 -11.662 -10.398 -1.616 1.00 1.19 N ATOM 1372 CA PRO A 86 -12.554 -9.377 -2.177 1.00 1.33 C ATOM 1373 C PRO A 86 -12.595 -8.120 -1.282 1.00 1.25 C ATOM 1374 O PRO A 86 -12.195 -8.204 -0.116 1.00 1.04 O ATOM 1375 CB PRO A 86 -13.924 -10.063 -2.276 1.00 1.34 C ATOM 1376 CG PRO A 86 -13.908 -11.072 -1.134 1.00 1.13 C ATOM 1377 CD PRO A 86 -12.448 -11.508 -1.083 1.00 1.08 C ATOM 0 HA PRO A 86 -12.217 -9.021 -3.150 1.00 1.33 H new ATOM 0 HB2 PRO A 86 -14.739 -9.347 -2.166 1.00 1.34 H new ATOM 0 HB3 PRO A 86 -14.058 -10.553 -3.241 1.00 1.34 H new ATOM 0 HG2 PRO A 86 -14.228 -10.623 -0.194 1.00 1.13 H new ATOM 0 HG3 PRO A 86 -14.574 -11.913 -1.329 1.00 1.13 H new ATOM 0 HD2 PRO A 86 -12.148 -11.739 -0.061 1.00 1.08 H new ATOM 0 HD3 PRO A 86 -12.293 -12.411 -1.673 1.00 1.08 H new ATOM 1385 N PRO A 87 -13.105 -6.967 -1.780 1.00 0.93 N ATOM 1386 CA PRO A 87 -12.953 -5.660 -1.124 1.00 0.89 C ATOM 1387 C PRO A 87 -13.460 -5.655 0.312 1.00 1.09 C ATOM 1388 O PRO A 87 -12.784 -5.126 1.185 1.00 0.98 O ATOM 1389 CB PRO A 87 -13.702 -4.638 -1.990 1.00 0.87 C ATOM 1390 CG PRO A 87 -14.543 -5.479 -2.948 1.00 1.04 C ATOM 1391 CD PRO A 87 -13.760 -6.785 -3.070 1.00 1.09 C ATOM 0 HA PRO A 87 -11.895 -5.409 -1.047 1.00 0.89 H new ATOM 0 HB2 PRO A 87 -14.329 -3.987 -1.380 1.00 0.87 H new ATOM 0 HB3 PRO A 87 -13.008 -3.996 -2.532 1.00 0.87 H new ATOM 0 HG2 PRO A 87 -15.546 -5.649 -2.556 1.00 1.04 H new ATOM 0 HG3 PRO A 87 -14.657 -4.989 -3.915 1.00 1.04 H new ATOM 0 HD2 PRO A 87 -14.423 -7.621 -3.295 1.00 1.09 H new ATOM 0 HD3 PRO A 87 -13.029 -6.731 -3.877 1.00 1.09 H new ATOM 1399 N GLU A 88 -14.593 -6.312 0.568 1.00 0.84 N ATOM 1400 CA GLU A 88 -15.141 -6.507 1.915 1.00 0.98 C ATOM 1401 C GLU A 88 -14.149 -7.142 2.901 1.00 1.17 C ATOM 1402 O GLU A 88 -14.026 -6.694 4.033 1.00 1.29 O ATOM 1403 CB GLU A 88 -16.382 -7.415 1.806 1.00 1.42 C ATOM 1404 CG GLU A 88 -17.700 -6.638 1.711 1.00 1.46 C ATOM 1405 CD GLU A 88 -18.204 -6.297 3.108 1.00 1.94 C ATOM 1406 OE1 GLU A 88 -17.435 -5.710 3.893 1.00 2.91 O ATOM 1407 OE2 GLU A 88 -19.322 -6.712 3.469 1.00 3.03 O ATOM 0 H GLU A 88 -15.166 -6.731 -0.165 1.00 0.84 H new ATOM 0 HA GLU A 88 -15.384 -5.520 2.309 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -16.281 -8.052 0.927 1.00 1.42 H new ATOM 0 HB3 GLU A 88 -16.419 -8.073 2.674 1.00 1.42 H new ATOM 0 HG2 GLU A 88 -17.553 -5.724 1.135 1.00 1.46 H new ATOM 0 HG3 GLU A 88 -18.445 -7.232 1.181 1.00 1.46 H new ATOM 1414 N VAL A 89 -13.440 -8.200 2.507 1.00 0.86 N ATOM 1415 CA VAL A 89 -12.544 -8.910 3.436 1.00 0.78 C ATOM 1416 C VAL A 89 -11.295 -8.074 3.729 1.00 0.91 C ATOM 1417 O VAL A 89 -10.858 -8.021 4.878 1.00 0.80 O ATOM 1418 CB VAL A 89 -12.189 -10.325 2.927 1.00 1.00 C ATOM 1419 CG1 VAL A 89 -11.233 -11.063 3.879 1.00 1.08 C ATOM 1420 CG2 VAL A 89 -13.470 -11.170 2.793 1.00 1.26 C ATOM 0 H VAL A 89 -13.464 -8.585 1.563 1.00 0.86 H new ATOM 0 HA VAL A 89 -13.079 -9.047 4.376 1.00 0.78 H new ATOM 0 HB VAL A 89 -11.697 -10.199 1.963 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -11.013 -12.053 3.479 1.00 1.08 H new ATOM 0 HG12 VAL A 89 -10.307 -10.496 3.976 1.00 1.08 H new ATOM 0 HG13 VAL A 89 -11.701 -11.164 4.858 1.00 1.08 H new ATOM 0 HG21 VAL A 89 -13.213 -12.166 2.434 1.00 1.26 H new ATOM 0 HG22 VAL A 89 -13.957 -11.249 3.765 1.00 1.26 H new ATOM 0 HG23 VAL A 89 -14.148 -10.693 2.085 1.00 1.26 H new ATOM 1430 N ALA A 90 -10.761 -7.372 2.719 1.00 0.73 N ATOM 1431 CA ALA A 90 -9.646 -6.442 2.894 1.00 0.84 C ATOM 1432 C ALA A 90 -10.013 -5.255 3.801 1.00 1.02 C ATOM 1433 O ALA A 90 -9.266 -4.935 4.729 1.00 1.26 O ATOM 1434 CB ALA A 90 -9.180 -5.987 1.501 1.00 1.00 C ATOM 0 H ALA A 90 -11.094 -7.436 1.757 1.00 0.73 H new ATOM 0 HA ALA A 90 -8.827 -6.948 3.405 1.00 0.84 H new ATOM 0 HB1 ALA A 90 -8.347 -5.291 1.605 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.859 -6.854 0.924 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.003 -5.493 0.985 1.00 1.00 H new ATOM 1440 N ASP A 91 -11.148 -4.605 3.544 1.00 0.57 N ATOM 1441 CA ASP A 91 -11.523 -3.358 4.206 1.00 0.62 C ATOM 1442 C ASP A 91 -11.903 -3.560 5.679 1.00 1.13 C ATOM 1443 O ASP A 91 -11.569 -2.724 6.523 1.00 1.38 O ATOM 1444 CB ASP A 91 -12.660 -2.720 3.404 1.00 0.68 C ATOM 1445 CG ASP A 91 -12.947 -1.300 3.880 1.00 0.98 C ATOM 1446 OD1 ASP A 91 -11.994 -0.493 3.955 1.00 1.80 O ATOM 1447 OD2 ASP A 91 -14.085 -1.048 4.336 1.00 2.07 O ATOM 0 H ASP A 91 -11.837 -4.932 2.866 1.00 0.57 H new ATOM 0 HA ASP A 91 -10.662 -2.691 4.226 1.00 0.62 H new ATOM 0 HB2 ASP A 91 -12.397 -2.705 2.346 1.00 0.68 H new ATOM 0 HB3 ASP A 91 -13.560 -3.327 3.500 1.00 0.68 H new ATOM 1452 N ARG A 92 -12.535 -4.694 6.003 1.00 0.80 N ATOM 1453 CA ARG A 92 -12.755 -5.126 7.390 1.00 0.95 C ATOM 1454 C ARG A 92 -11.425 -5.372 8.093 1.00 1.31 C ATOM 1455 O ARG A 92 -11.185 -4.863 9.184 1.00 1.61 O ATOM 1456 CB ARG A 92 -13.578 -6.428 7.412 1.00 0.96 C ATOM 1457 CG ARG A 92 -14.990 -6.158 6.911 1.00 1.52 C ATOM 1458 CD ARG A 92 -15.816 -7.433 6.728 1.00 1.77 C ATOM 1459 NE ARG A 92 -17.161 -7.106 6.232 1.00 2.92 N ATOM 1460 CZ ARG A 92 -18.328 -7.151 6.854 1.00 3.49 C ATOM 1461 NH1 ARG A 92 -18.451 -7.531 8.111 1.00 3.32 N ATOM 1462 NH2 ARG A 92 -19.411 -6.807 6.200 1.00 4.82 N ATOM 0 H ARG A 92 -12.910 -5.341 5.309 1.00 0.80 H new ATOM 0 HA ARG A 92 -13.296 -4.336 7.910 1.00 0.95 H new ATOM 0 HB2 ARG A 92 -13.099 -7.182 6.787 1.00 0.96 H new ATOM 0 HB3 ARG A 92 -13.613 -6.829 8.425 1.00 0.96 H new ATOM 0 HG2 ARG A 92 -15.499 -5.500 7.615 1.00 1.52 H new ATOM 0 HG3 ARG A 92 -14.937 -5.627 5.960 1.00 1.52 H new ATOM 0 HD2 ARG A 92 -15.315 -8.101 6.027 1.00 1.77 H new ATOM 0 HD3 ARG A 92 -15.891 -7.965 7.677 1.00 1.77 H new ATOM 0 HE ARG A 92 -17.200 -6.798 5.261 1.00 2.92 H new ATOM 0 HH11 ARG A 92 -17.626 -7.806 8.644 1.00 3.32 H new ATOM 0 HH12 ARG A 92 -19.371 -7.550 8.550 1.00 3.32 H new ATOM 0 HH21 ARG A 92 -19.346 -6.510 5.226 1.00 4.82 H new ATOM 0 HH22 ARG A 92 -20.318 -6.836 6.665 1.00 4.82 H new ATOM 1476 N TYR A 93 -10.572 -6.171 7.459 1.00 0.97 N ATOM 1477 CA TYR A 93 -9.313 -6.634 8.061 1.00 1.14 C ATOM 1478 C TYR A 93 -8.331 -5.496 8.375 1.00 1.40 C ATOM 1479 O TYR A 93 -7.868 -5.368 9.511 1.00 1.72 O ATOM 1480 CB TYR A 93 -8.653 -7.683 7.158 1.00 1.18 C ATOM 1481 CG TYR A 93 -7.395 -8.274 7.762 1.00 1.40 C ATOM 1482 CD1 TYR A 93 -7.486 -8.994 8.968 1.00 2.77 C ATOM 1483 CD2 TYR A 93 -6.141 -8.073 7.153 1.00 1.72 C ATOM 1484 CE1 TYR A 93 -6.327 -9.519 9.570 1.00 3.07 C ATOM 1485 CE2 TYR A 93 -4.976 -8.587 7.755 1.00 2.00 C ATOM 1486 CZ TYR A 93 -5.068 -9.306 8.970 1.00 2.18 C ATOM 1487 OH TYR A 93 -3.947 -9.778 9.571 1.00 2.73 O ATOM 0 H TYR A 93 -10.729 -6.519 6.513 1.00 0.97 H new ATOM 0 HA TYR A 93 -9.571 -7.083 9.020 1.00 1.14 H new ATOM 0 HB2 TYR A 93 -9.365 -8.484 6.959 1.00 1.18 H new ATOM 0 HB3 TYR A 93 -8.410 -7.227 6.198 1.00 1.18 H new ATOM 0 HD1 TYR A 93 -8.449 -9.144 9.433 1.00 2.77 H new ATOM 0 HD2 TYR A 93 -6.073 -7.525 6.225 1.00 1.72 H new ATOM 0 HE1 TYR A 93 -6.401 -10.083 10.488 1.00 3.07 H new ATOM 0 HE2 TYR A 93 -4.014 -8.432 7.290 1.00 2.00 H new ATOM 0 HH TYR A 93 -3.726 -9.214 10.341 1.00 2.73 H new ATOM 1497 N ALA A 94 -8.048 -4.646 7.386 1.00 0.90 N ATOM 1498 CA ALA A 94 -7.189 -3.475 7.565 1.00 0.92 C ATOM 1499 C ALA A 94 -7.726 -2.573 8.688 1.00 1.10 C ATOM 1500 O ALA A 94 -7.010 -2.274 9.644 1.00 1.27 O ATOM 1501 CB ALA A 94 -7.054 -2.783 6.204 1.00 0.89 C ATOM 0 H ALA A 94 -8.409 -4.751 6.438 1.00 0.90 H new ATOM 0 HA ALA A 94 -6.189 -3.756 7.895 1.00 0.92 H new ATOM 0 HB1 ALA A 94 -6.418 -1.904 6.304 1.00 0.89 H new ATOM 0 HB2 ALA A 94 -6.609 -3.473 5.487 1.00 0.89 H new ATOM 0 HB3 ALA A 94 -8.039 -2.479 5.851 1.00 0.89 H new ATOM 1507 N LYS A 95 -9.018 -2.233 8.667 1.00 0.77 N ATOM 1508 CA LYS A 95 -9.628 -1.421 9.727 1.00 0.82 C ATOM 1509 C LYS A 95 -9.750 -2.097 11.106 1.00 1.17 C ATOM 1510 O LYS A 95 -9.896 -1.370 12.087 1.00 1.45 O ATOM 1511 CB LYS A 95 -10.907 -0.724 9.241 1.00 1.07 C ATOM 1512 CG LYS A 95 -10.512 0.414 8.280 1.00 1.67 C ATOM 1513 CD LYS A 95 -11.646 1.403 7.979 1.00 1.42 C ATOM 1514 CE LYS A 95 -12.409 1.083 6.691 1.00 1.43 C ATOM 1515 NZ LYS A 95 -13.020 -0.262 6.704 1.00 2.13 N ATOM 0 H LYS A 95 -9.664 -2.507 7.927 1.00 0.77 H new ATOM 0 HA LYS A 95 -8.902 -0.635 9.937 1.00 0.82 H new ATOM 0 HB2 LYS A 95 -11.558 -1.437 8.735 1.00 1.07 H new ATOM 0 HB3 LYS A 95 -11.467 -0.327 10.088 1.00 1.07 H new ATOM 0 HG2 LYS A 95 -9.672 0.961 8.708 1.00 1.67 H new ATOM 0 HG3 LYS A 95 -10.165 -0.021 7.342 1.00 1.67 H new ATOM 0 HD2 LYS A 95 -12.346 1.407 8.815 1.00 1.42 H new ATOM 0 HD3 LYS A 95 -11.231 2.408 7.906 1.00 1.42 H new ATOM 0 HE2 LYS A 95 -13.189 1.830 6.542 1.00 1.43 H new ATOM 0 HE3 LYS A 95 -11.728 1.159 5.843 1.00 1.43 H new ATOM 0 HZ1 LYS A 95 -13.697 -0.343 5.919 1.00 2.13 H new ATOM 0 HZ2 LYS A 95 -12.277 -0.982 6.596 1.00 2.13 H new ATOM 0 HZ3 LYS A 95 -13.516 -0.409 7.606 1.00 2.13 H new ATOM 1529 N ALA A 96 -9.621 -3.425 11.227 1.00 1.14 N ATOM 1530 CA ALA A 96 -9.422 -4.078 12.529 1.00 1.28 C ATOM 1531 C ALA A 96 -8.051 -3.746 13.164 1.00 1.35 C ATOM 1532 O ALA A 96 -7.950 -3.693 14.385 1.00 1.55 O ATOM 1533 CB ALA A 96 -9.617 -5.591 12.368 1.00 1.45 C ATOM 0 H ALA A 96 -9.651 -4.070 10.437 1.00 1.14 H new ATOM 0 HA ALA A 96 -10.167 -3.687 13.222 1.00 1.28 H new ATOM 0 HB1 ALA A 96 -9.471 -6.081 13.331 1.00 1.45 H new ATOM 0 HB2 ALA A 96 -10.626 -5.792 12.008 1.00 1.45 H new ATOM 0 HB3 ALA A 96 -8.893 -5.977 11.651 1.00 1.45 H new ATOM 1539 N PHE A 97 -7.019 -3.487 12.346 1.00 1.19 N ATOM 1540 CA PHE A 97 -5.714 -3.001 12.806 1.00 1.18 C ATOM 1541 C PHE A 97 -5.699 -1.486 13.047 1.00 1.97 C ATOM 1542 O PHE A 97 -5.026 -1.035 13.977 1.00 2.26 O ATOM 1543 CB PHE A 97 -4.612 -3.393 11.796 1.00 1.30 C ATOM 1544 CG PHE A 97 -4.115 -4.820 11.921 1.00 1.52 C ATOM 1545 CD1 PHE A 97 -4.990 -5.895 11.681 1.00 2.72 C ATOM 1546 CD2 PHE A 97 -2.780 -5.083 12.295 1.00 1.68 C ATOM 1547 CE1 PHE A 97 -4.551 -7.215 11.851 1.00 2.65 C ATOM 1548 CE2 PHE A 97 -2.333 -6.408 12.450 1.00 1.74 C ATOM 1549 CZ PHE A 97 -3.224 -7.474 12.235 1.00 1.68 C ATOM 0 H PHE A 97 -7.071 -3.612 11.335 1.00 1.19 H new ATOM 0 HA PHE A 97 -5.516 -3.478 13.766 1.00 1.18 H new ATOM 0 HB2 PHE A 97 -4.994 -3.243 10.786 1.00 1.30 H new ATOM 0 HB3 PHE A 97 -3.767 -2.716 11.921 1.00 1.30 H new ATOM 0 HD1 PHE A 97 -6.004 -5.702 11.364 1.00 2.72 H new ATOM 0 HD2 PHE A 97 -2.098 -4.263 12.463 1.00 1.68 H new ATOM 0 HE1 PHE A 97 -5.234 -8.035 11.687 1.00 2.65 H new ATOM 0 HE2 PHE A 97 -1.310 -6.605 12.733 1.00 1.74 H new ATOM 0 HZ PHE A 97 -2.889 -8.492 12.365 1.00 1.68 H new ATOM 1559 N HIS A 98 -6.380 -0.681 12.216 1.00 0.90 N ATOM 1560 CA HIS A 98 -6.268 0.787 12.257 1.00 0.79 C ATOM 1561 C HIS A 98 -7.232 1.531 11.311 1.00 1.17 C ATOM 1562 O HIS A 98 -7.408 1.090 10.175 1.00 1.32 O ATOM 1563 CB HIS A 98 -4.805 1.154 11.960 1.00 0.95 C ATOM 1564 CG HIS A 98 -4.538 2.377 11.128 1.00 1.86 C ATOM 1565 ND1 HIS A 98 -4.251 2.362 9.780 1.00 2.89 N ATOM 1566 CD2 HIS A 98 -4.329 3.652 11.571 1.00 2.73 C ATOM 1567 CE1 HIS A 98 -3.884 3.591 9.418 1.00 3.92 C ATOM 1568 NE2 HIS A 98 -3.951 4.421 10.472 1.00 3.88 N ATOM 0 H HIS A 98 -7.020 -1.026 11.501 1.00 0.90 H new ATOM 0 HA HIS A 98 -6.567 1.116 13.252 1.00 0.79 H new ATOM 0 HB2 HIS A 98 -4.293 1.281 12.914 1.00 0.95 H new ATOM 0 HB3 HIS A 98 -4.342 0.303 11.460 1.00 0.95 H new ATOM 0 HD1 HIS A 98 -4.309 1.550 9.165 1.00 2.89 H new ATOM 0 HD2 HIS A 98 -4.437 4.001 12.587 1.00 2.73 H new ATOM 0 HE1 HIS A 98 -3.578 3.878 8.423 1.00 3.92 H new ATOM 1577 N PRO A 99 -7.805 2.683 11.721 1.00 1.08 N ATOM 1578 CA PRO A 99 -8.865 3.366 10.980 1.00 1.33 C ATOM 1579 C PRO A 99 -8.407 4.159 9.746 1.00 1.60 C ATOM 1580 O PRO A 99 -9.221 4.333 8.848 1.00 1.58 O ATOM 1581 CB PRO A 99 -9.534 4.295 12.000 1.00 1.70 C ATOM 1582 CG PRO A 99 -8.395 4.636 12.958 1.00 1.71 C ATOM 1583 CD PRO A 99 -7.631 3.317 13.024 1.00 1.35 C ATOM 0 HA PRO A 99 -9.536 2.617 10.558 1.00 1.33 H new ATOM 0 HB2 PRO A 99 -9.942 5.187 11.525 1.00 1.70 H new ATOM 0 HB3 PRO A 99 -10.359 3.802 12.514 1.00 1.70 H new ATOM 0 HG2 PRO A 99 -7.774 5.449 12.581 1.00 1.71 H new ATOM 0 HG3 PRO A 99 -8.763 4.944 13.937 1.00 1.71 H new ATOM 0 HD2 PRO A 99 -6.576 3.488 13.236 1.00 1.35 H new ATOM 0 HD3 PRO A 99 -8.018 2.682 13.821 1.00 1.35 H new ATOM 1591 N SER A 100 -7.152 4.626 9.644 1.00 1.37 N ATOM 1592 CA SER A 100 -6.669 5.344 8.441 1.00 1.51 C ATOM 1593 C SER A 100 -6.212 4.381 7.318 1.00 1.50 C ATOM 1594 O SER A 100 -5.521 4.778 6.371 1.00 1.73 O ATOM 1595 CB SER A 100 -5.618 6.412 8.813 1.00 1.81 C ATOM 1596 OG SER A 100 -5.899 7.655 8.189 1.00 2.73 O ATOM 0 H SER A 100 -6.450 4.522 10.377 1.00 1.37 H new ATOM 0 HA SER A 100 -7.515 5.884 8.015 1.00 1.51 H new ATOM 0 HB2 SER A 100 -5.597 6.543 9.895 1.00 1.81 H new ATOM 0 HB3 SER A 100 -4.627 6.069 8.514 1.00 1.81 H new ATOM 0 HG SER A 100 -5.266 8.332 8.509 1.00 2.73 H new ATOM 1602 N PHE A 101 -6.642 3.108 7.403 1.00 1.06 N ATOM 1603 CA PHE A 101 -6.616 2.156 6.295 1.00 0.89 C ATOM 1604 C PHE A 101 -7.952 2.167 5.539 1.00 1.81 C ATOM 1605 O PHE A 101 -9.031 2.146 6.130 1.00 2.25 O ATOM 1606 CB PHE A 101 -6.423 0.712 6.789 1.00 0.91 C ATOM 1607 CG PHE A 101 -5.027 0.295 7.198 1.00 1.26 C ATOM 1608 CD1 PHE A 101 -3.960 0.414 6.291 1.00 2.49 C ATOM 1609 CD2 PHE A 101 -4.807 -0.319 8.444 1.00 2.34 C ATOM 1610 CE1 PHE A 101 -2.670 0.012 6.673 1.00 2.79 C ATOM 1611 CE2 PHE A 101 -3.517 -0.717 8.827 1.00 2.47 C ATOM 1612 CZ PHE A 101 -2.444 -0.518 7.949 1.00 2.16 C ATOM 0 H PHE A 101 -7.023 2.713 8.263 1.00 1.06 H new ATOM 0 HA PHE A 101 -5.787 2.460 5.657 1.00 0.89 H new ATOM 0 HB2 PHE A 101 -7.084 0.557 7.642 1.00 0.91 H new ATOM 0 HB3 PHE A 101 -6.758 0.039 6.000 1.00 0.91 H new ATOM 0 HD1 PHE A 101 -4.132 0.814 5.303 1.00 2.49 H new ATOM 0 HD2 PHE A 101 -5.639 -0.486 9.112 1.00 2.34 H new ATOM 0 HE1 PHE A 101 -1.848 0.112 5.979 1.00 2.79 H new ATOM 0 HE2 PHE A 101 -3.353 -1.174 9.792 1.00 2.47 H new ATOM 0 HZ PHE A 101 -1.441 -0.774 8.257 1.00 2.16 H new ATOM 1622 N LEU A 102 -7.846 2.073 4.214 1.00 0.72 N ATOM 1623 CA LEU A 102 -8.923 1.742 3.276 1.00 0.66 C ATOM 1624 C LEU A 102 -8.551 0.439 2.547 1.00 0.87 C ATOM 1625 O LEU A 102 -7.422 0.317 2.060 1.00 1.13 O ATOM 1626 CB LEU A 102 -9.052 2.921 2.284 1.00 0.72 C ATOM 1627 CG LEU A 102 -10.430 3.182 1.655 1.00 0.93 C ATOM 1628 CD1 LEU A 102 -11.001 1.970 0.909 1.00 1.41 C ATOM 1629 CD2 LEU A 102 -11.443 3.677 2.698 1.00 2.07 C ATOM 0 H LEU A 102 -6.958 2.234 3.738 1.00 0.72 H new ATOM 0 HA LEU A 102 -9.876 1.591 3.783 1.00 0.66 H new ATOM 0 HB2 LEU A 102 -8.743 3.829 2.801 1.00 0.72 H new ATOM 0 HB3 LEU A 102 -8.340 2.757 1.475 1.00 0.72 H new ATOM 0 HG LEU A 102 -10.264 3.966 0.916 1.00 0.93 H new ATOM 0 HD11 LEU A 102 -11.975 2.226 0.491 1.00 1.41 H new ATOM 0 HD12 LEU A 102 -10.323 1.686 0.104 1.00 1.41 H new ATOM 0 HD13 LEU A 102 -11.111 1.135 1.601 1.00 1.41 H new ATOM 0 HD21 LEU A 102 -12.405 3.851 2.217 1.00 2.07 H new ATOM 0 HD22 LEU A 102 -11.558 2.925 3.479 1.00 2.07 H new ATOM 0 HD23 LEU A 102 -11.085 4.607 3.140 1.00 2.07 H new ATOM 1641 N GLY A 103 -9.479 -0.515 2.449 1.00 0.54 N ATOM 1642 CA GLY A 103 -9.300 -1.764 1.695 1.00 0.52 C ATOM 1643 C GLY A 103 -9.951 -1.718 0.313 1.00 0.60 C ATOM 1644 O GLY A 103 -11.165 -1.543 0.188 1.00 0.74 O ATOM 0 H GLY A 103 -10.392 -0.443 2.898 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -8.235 -1.967 1.584 1.00 0.52 H new ATOM 0 HA3 GLY A 103 -9.724 -2.591 2.264 1.00 0.52 H new ATOM 1648 N LEU A 104 -9.134 -1.936 -0.721 1.00 0.43 N ATOM 1649 CA LEU A 104 -9.517 -1.994 -2.128 1.00 0.47 C ATOM 1650 C LEU A 104 -9.208 -3.378 -2.721 1.00 1.11 C ATOM 1651 O LEU A 104 -8.100 -3.898 -2.644 1.00 1.37 O ATOM 1652 CB LEU A 104 -8.777 -0.895 -2.917 1.00 0.54 C ATOM 1653 CG LEU A 104 -8.993 0.558 -2.451 1.00 0.65 C ATOM 1654 CD1 LEU A 104 -8.182 1.509 -3.345 1.00 0.84 C ATOM 1655 CD2 LEU A 104 -10.466 0.991 -2.496 1.00 1.16 C ATOM 0 H LEU A 104 -8.134 -2.084 -0.588 1.00 0.43 H new ATOM 0 HA LEU A 104 -10.591 -1.825 -2.204 1.00 0.47 H new ATOM 0 HB2 LEU A 104 -7.709 -1.109 -2.878 1.00 0.54 H new ATOM 0 HB3 LEU A 104 -9.078 -0.965 -3.962 1.00 0.54 H new ATOM 0 HG LEU A 104 -8.662 0.606 -1.413 1.00 0.65 H new ATOM 0 HD11 LEU A 104 -8.335 2.537 -3.016 1.00 0.84 H new ATOM 0 HD12 LEU A 104 -7.123 1.259 -3.276 1.00 0.84 H new ATOM 0 HD13 LEU A 104 -8.512 1.407 -4.379 1.00 0.84 H new ATOM 0 HD21 LEU A 104 -10.552 2.023 -2.156 1.00 1.16 H new ATOM 0 HD22 LEU A 104 -10.837 0.913 -3.518 1.00 1.16 H new ATOM 0 HD23 LEU A 104 -11.055 0.344 -1.846 1.00 1.16 H new ATOM 1667 N SER A 105 -10.210 -4.012 -3.303 1.00 0.65 N ATOM 1668 CA SER A 105 -10.057 -5.165 -4.203 1.00 0.81 C ATOM 1669 C SER A 105 -11.228 -5.159 -5.187 1.00 1.02 C ATOM 1670 O SER A 105 -12.220 -4.480 -4.918 1.00 1.21 O ATOM 1671 CB SER A 105 -9.966 -6.448 -3.374 1.00 1.06 C ATOM 1672 OG SER A 105 -9.793 -7.610 -4.162 1.00 1.22 O ATOM 0 H SER A 105 -11.183 -3.740 -3.166 1.00 0.65 H new ATOM 0 HA SER A 105 -9.136 -5.108 -4.783 1.00 0.81 H new ATOM 0 HB2 SER A 105 -9.133 -6.363 -2.676 1.00 1.06 H new ATOM 0 HB3 SER A 105 -10.873 -6.553 -2.778 1.00 1.06 H new ATOM 0 HG SER A 105 -9.488 -8.348 -3.594 1.00 1.22 H new ATOM 1678 N GLY A 106 -11.188 -5.912 -6.286 1.00 1.14 N ATOM 1679 CA GLY A 106 -12.287 -5.880 -7.249 1.00 1.30 C ATOM 1680 C GLY A 106 -11.980 -6.546 -8.568 1.00 1.27 C ATOM 1681 O GLY A 106 -11.329 -7.588 -8.626 1.00 1.40 O ATOM 0 H GLY A 106 -10.422 -6.540 -6.529 1.00 1.14 H new ATOM 0 HA2 GLY A 106 -13.157 -6.364 -6.805 1.00 1.30 H new ATOM 0 HA3 GLY A 106 -12.561 -4.841 -7.435 1.00 1.30 H new ATOM 1685 N SER A 107 -12.478 -5.931 -9.630 1.00 1.12 N ATOM 1686 CA SER A 107 -12.370 -6.415 -11.002 1.00 1.05 C ATOM 1687 C SER A 107 -10.896 -6.625 -11.415 1.00 1.17 C ATOM 1688 O SER A 107 -10.076 -5.717 -11.203 1.00 1.11 O ATOM 1689 CB SER A 107 -13.067 -5.420 -11.943 1.00 1.11 C ATOM 1690 OG SER A 107 -14.419 -5.217 -11.569 1.00 2.27 O ATOM 0 H SER A 107 -12.987 -5.050 -9.560 1.00 1.12 H new ATOM 0 HA SER A 107 -12.861 -7.386 -11.072 1.00 1.05 H new ATOM 0 HB2 SER A 107 -12.536 -4.468 -11.927 1.00 1.11 H new ATOM 0 HB3 SER A 107 -13.023 -5.792 -12.967 1.00 1.11 H new ATOM 0 HG SER A 107 -14.465 -4.538 -10.864 1.00 2.27 H new ATOM 1696 N PRO A 108 -10.546 -7.773 -12.037 1.00 1.06 N ATOM 1697 CA PRO A 108 -9.160 -8.163 -12.277 1.00 1.17 C ATOM 1698 C PRO A 108 -8.401 -7.086 -13.051 1.00 1.35 C ATOM 1699 O PRO A 108 -7.401 -6.598 -12.538 1.00 1.30 O ATOM 1700 CB PRO A 108 -9.203 -9.521 -12.989 1.00 1.33 C ATOM 1701 CG PRO A 108 -10.630 -9.617 -13.529 1.00 1.28 C ATOM 1702 CD PRO A 108 -11.440 -8.815 -12.515 1.00 1.16 C ATOM 0 HA PRO A 108 -8.604 -8.263 -11.345 1.00 1.17 H new ATOM 0 HB2 PRO A 108 -8.469 -9.572 -13.793 1.00 1.33 H new ATOM 0 HB3 PRO A 108 -8.981 -10.338 -12.302 1.00 1.33 H new ATOM 0 HG2 PRO A 108 -10.710 -9.197 -14.532 1.00 1.28 H new ATOM 0 HG3 PRO A 108 -10.970 -10.651 -13.588 1.00 1.28 H new ATOM 0 HD2 PRO A 108 -12.330 -8.387 -12.975 1.00 1.16 H new ATOM 0 HD3 PRO A 108 -11.778 -9.448 -11.695 1.00 1.16 H new ATOM 1710 N GLU A 109 -8.917 -6.637 -14.202 1.00 1.24 N ATOM 1711 CA GLU A 109 -8.303 -5.546 -14.979 1.00 1.30 C ATOM 1712 C GLU A 109 -8.188 -4.218 -14.202 1.00 1.22 C ATOM 1713 O GLU A 109 -7.236 -3.468 -14.406 1.00 1.30 O ATOM 1714 CB GLU A 109 -9.056 -5.284 -16.299 1.00 1.61 C ATOM 1715 CG GLU A 109 -9.501 -6.514 -17.104 1.00 2.08 C ATOM 1716 CD GLU A 109 -8.515 -7.679 -17.037 1.00 3.74 C ATOM 1717 OE1 GLU A 109 -7.396 -7.548 -17.576 1.00 5.09 O ATOM 1718 OE2 GLU A 109 -8.900 -8.657 -16.358 1.00 4.18 O ATOM 0 H GLU A 109 -9.767 -7.015 -14.621 1.00 1.24 H new ATOM 0 HA GLU A 109 -7.294 -5.899 -15.192 1.00 1.30 H new ATOM 0 HB2 GLU A 109 -9.941 -4.690 -16.072 1.00 1.61 H new ATOM 0 HB3 GLU A 109 -8.417 -4.674 -16.938 1.00 1.61 H new ATOM 0 HG2 GLU A 109 -10.471 -6.848 -16.735 1.00 2.08 H new ATOM 0 HG3 GLU A 109 -9.639 -6.225 -18.146 1.00 2.08 H new ATOM 1725 N ALA A 110 -9.102 -3.924 -13.268 1.00 1.02 N ATOM 1726 CA ALA A 110 -9.033 -2.724 -12.427 1.00 0.83 C ATOM 1727 C ALA A 110 -7.885 -2.833 -11.415 1.00 0.86 C ATOM 1728 O ALA A 110 -7.040 -1.940 -11.346 1.00 0.85 O ATOM 1729 CB ALA A 110 -10.392 -2.480 -11.751 1.00 0.90 C ATOM 0 H ALA A 110 -9.912 -4.514 -13.075 1.00 1.02 H new ATOM 0 HA ALA A 110 -8.816 -1.857 -13.051 1.00 0.83 H new ATOM 0 HB1 ALA A 110 -10.333 -1.587 -11.128 1.00 0.90 H new ATOM 0 HB2 ALA A 110 -11.158 -2.341 -12.514 1.00 0.90 H new ATOM 0 HB3 ALA A 110 -10.649 -3.339 -11.131 1.00 0.90 H new ATOM 1735 N VAL A 111 -7.777 -3.971 -10.720 1.00 0.70 N ATOM 1736 CA VAL A 111 -6.585 -4.283 -9.900 1.00 0.69 C ATOM 1737 C VAL A 111 -5.304 -4.200 -10.763 1.00 1.05 C ATOM 1738 O VAL A 111 -4.253 -3.742 -10.303 1.00 0.93 O ATOM 1739 CB VAL A 111 -6.707 -5.665 -9.211 1.00 0.80 C ATOM 1740 CG1 VAL A 111 -5.470 -6.005 -8.363 1.00 1.31 C ATOM 1741 CG2 VAL A 111 -7.947 -5.753 -8.299 1.00 1.10 C ATOM 0 H VAL A 111 -8.496 -4.695 -10.704 1.00 0.70 H new ATOM 0 HA VAL A 111 -6.519 -3.537 -9.108 1.00 0.69 H new ATOM 0 HB VAL A 111 -6.799 -6.382 -10.027 1.00 0.80 H new ATOM 0 HG11 VAL A 111 -5.603 -6.983 -7.901 1.00 1.31 H new ATOM 0 HG12 VAL A 111 -4.586 -6.022 -9.000 1.00 1.31 H new ATOM 0 HG13 VAL A 111 -5.343 -5.251 -7.586 1.00 1.31 H new ATOM 0 HG21 VAL A 111 -7.990 -6.740 -7.838 1.00 1.10 H new ATOM 0 HG22 VAL A 111 -7.882 -4.992 -7.522 1.00 1.10 H new ATOM 0 HG23 VAL A 111 -8.847 -5.590 -8.892 1.00 1.10 H new ATOM 1751 N ARG A 112 -5.406 -4.591 -12.044 1.00 0.73 N ATOM 1752 CA ARG A 112 -4.300 -4.596 -12.995 1.00 0.75 C ATOM 1753 C ARG A 112 -3.845 -3.184 -13.385 1.00 1.02 C ATOM 1754 O ARG A 112 -2.627 -2.994 -13.454 1.00 1.13 O ATOM 1755 CB ARG A 112 -4.665 -5.441 -14.232 1.00 0.84 C ATOM 1756 CG ARG A 112 -3.445 -6.091 -14.890 1.00 1.62 C ATOM 1757 CD ARG A 112 -2.900 -7.266 -14.060 1.00 3.13 C ATOM 1758 NE ARG A 112 -1.631 -7.756 -14.617 1.00 4.17 N ATOM 1759 CZ ARG A 112 -0.461 -7.135 -14.505 1.00 5.28 C ATOM 1760 NH1 ARG A 112 -0.287 -6.112 -13.688 1.00 6.11 N ATOM 1761 NH2 ARG A 112 0.554 -7.507 -15.251 1.00 6.31 N ATOM 0 H ARG A 112 -6.283 -4.919 -12.449 1.00 0.73 H new ATOM 0 HA ARG A 112 -3.445 -5.056 -12.500 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -5.371 -6.218 -13.939 1.00 0.84 H new ATOM 0 HB3 ARG A 112 -5.171 -4.809 -14.961 1.00 0.84 H new ATOM 0 HG2 ARG A 112 -3.715 -6.445 -15.885 1.00 1.62 H new ATOM 0 HG3 ARG A 112 -2.662 -5.344 -15.019 1.00 1.62 H new ATOM 0 HD2 ARG A 112 -2.751 -6.949 -13.028 1.00 3.13 H new ATOM 0 HD3 ARG A 112 -3.631 -8.075 -14.043 1.00 3.13 H new ATOM 0 HE ARG A 112 -1.650 -8.639 -15.128 1.00 4.17 H new ATOM 0 HH11 ARG A 112 -1.064 -5.776 -13.119 1.00 6.11 H new ATOM 0 HH12 ARG A 112 0.624 -5.658 -13.626 1.00 6.11 H new ATOM 0 HH21 ARG A 112 0.444 -8.272 -15.916 1.00 6.31 H new ATOM 0 HH22 ARG A 112 1.452 -7.030 -15.165 1.00 6.31 H new ATOM 1775 N GLU A 113 -4.746 -2.212 -13.569 1.00 0.65 N ATOM 1776 CA GLU A 113 -4.403 -0.793 -13.802 1.00 0.67 C ATOM 1777 C GLU A 113 -3.452 -0.248 -12.721 1.00 1.06 C ATOM 1778 O GLU A 113 -2.340 0.203 -13.012 1.00 1.09 O ATOM 1779 CB GLU A 113 -5.676 0.061 -13.848 1.00 0.83 C ATOM 1780 CG GLU A 113 -6.298 0.035 -15.242 1.00 1.03 C ATOM 1781 CD GLU A 113 -5.601 1.018 -16.179 1.00 1.83 C ATOM 1782 OE1 GLU A 113 -5.934 2.225 -16.084 1.00 3.07 O ATOM 1783 OE2 GLU A 113 -4.749 0.549 -16.965 1.00 2.48 O ATOM 0 H GLU A 113 -5.751 -2.386 -13.561 1.00 0.65 H new ATOM 0 HA GLU A 113 -3.889 -0.736 -14.762 1.00 0.67 H new ATOM 0 HB2 GLU A 113 -6.395 -0.310 -13.118 1.00 0.83 H new ATOM 0 HB3 GLU A 113 -5.440 1.088 -13.569 1.00 0.83 H new ATOM 0 HG2 GLU A 113 -6.232 -0.972 -15.653 1.00 1.03 H new ATOM 0 HG3 GLU A 113 -7.357 0.283 -15.175 1.00 1.03 H new ATOM 1790 N ALA A 114 -3.861 -0.369 -11.451 1.00 0.59 N ATOM 1791 CA ALA A 114 -3.069 0.063 -10.298 1.00 0.59 C ATOM 1792 C ALA A 114 -1.702 -0.623 -10.253 1.00 0.87 C ATOM 1793 O ALA A 114 -0.670 0.037 -10.107 1.00 0.98 O ATOM 1794 CB ALA A 114 -3.882 -0.211 -9.025 1.00 0.64 C ATOM 0 H ALA A 114 -4.761 -0.774 -11.195 1.00 0.59 H new ATOM 0 HA ALA A 114 -2.864 1.130 -10.380 1.00 0.59 H new ATOM 0 HB1 ALA A 114 -3.309 0.104 -8.153 1.00 0.64 H new ATOM 0 HB2 ALA A 114 -4.818 0.345 -9.065 1.00 0.64 H new ATOM 0 HB3 ALA A 114 -4.096 -1.277 -8.953 1.00 0.64 H new ATOM 1800 N ALA A 115 -1.686 -1.944 -10.433 1.00 0.58 N ATOM 1801 CA ALA A 115 -0.470 -2.738 -10.410 1.00 0.60 C ATOM 1802 C ALA A 115 0.508 -2.340 -11.524 1.00 0.82 C ATOM 1803 O ALA A 115 1.670 -2.062 -11.234 1.00 0.90 O ATOM 1804 CB ALA A 115 -0.863 -4.208 -10.507 1.00 0.67 C ATOM 0 H ALA A 115 -2.529 -2.493 -10.600 1.00 0.58 H new ATOM 0 HA ALA A 115 0.061 -2.555 -9.476 1.00 0.60 H new ATOM 0 HB1 ALA A 115 0.035 -4.826 -10.492 1.00 0.67 H new ATOM 0 HB2 ALA A 115 -1.499 -4.471 -9.662 1.00 0.67 H new ATOM 0 HB3 ALA A 115 -1.406 -4.379 -11.437 1.00 0.67 H new ATOM 1810 N GLN A 116 0.060 -2.277 -12.784 1.00 0.61 N ATOM 1811 CA GLN A 116 0.899 -1.863 -13.915 1.00 0.68 C ATOM 1812 C GLN A 116 1.538 -0.497 -13.679 1.00 1.16 C ATOM 1813 O GLN A 116 2.719 -0.317 -13.973 1.00 1.28 O ATOM 1814 CB GLN A 116 0.051 -1.798 -15.198 1.00 0.79 C ATOM 1815 CG GLN A 116 -0.243 -3.174 -15.806 1.00 1.16 C ATOM 1816 CD GLN A 116 1.033 -3.884 -16.250 1.00 2.18 C ATOM 1817 OE1 GLN A 116 1.486 -4.833 -15.629 1.00 2.82 O ATOM 1818 NE2 GLN A 116 1.700 -3.428 -17.292 1.00 3.17 N ATOM 0 H GLN A 116 -0.897 -2.512 -13.048 1.00 0.61 H new ATOM 0 HA GLN A 116 1.693 -2.602 -14.018 1.00 0.68 H new ATOM 0 HB2 GLN A 116 -0.892 -1.299 -14.976 1.00 0.79 H new ATOM 0 HB3 GLN A 116 0.570 -1.186 -15.936 1.00 0.79 H new ATOM 0 HG2 GLN A 116 -0.766 -3.790 -15.074 1.00 1.16 H new ATOM 0 HG3 GLN A 116 -0.910 -3.059 -16.660 1.00 1.16 H new ATOM 0 HE21 GLN A 116 1.337 -2.636 -17.823 1.00 3.17 H new ATOM 0 HE22 GLN A 116 2.579 -3.867 -17.567 1.00 3.17 H new ATOM 1827 N THR A 117 0.766 0.446 -13.140 1.00 0.67 N ATOM 1828 CA THR A 117 1.165 1.855 -13.031 1.00 0.70 C ATOM 1829 C THR A 117 2.259 2.060 -11.985 1.00 1.01 C ATOM 1830 O THR A 117 3.216 2.803 -12.217 1.00 0.97 O ATOM 1831 CB THR A 117 -0.090 2.695 -12.774 1.00 0.78 C ATOM 1832 OG1 THR A 117 -0.961 2.453 -13.852 1.00 1.14 O ATOM 1833 CG2 THR A 117 0.219 4.190 -12.746 1.00 0.99 C ATOM 0 H THR A 117 -0.162 0.255 -12.763 1.00 0.67 H new ATOM 0 HA THR A 117 1.615 2.188 -13.966 1.00 0.70 H new ATOM 0 HB THR A 117 -0.515 2.422 -11.808 1.00 0.78 H new ATOM 0 HG1 THR A 117 -1.507 1.662 -13.660 1.00 1.14 H new ATOM 0 HG21 THR A 117 -0.699 4.748 -12.561 1.00 0.99 H new ATOM 0 HG22 THR A 117 0.936 4.398 -11.952 1.00 0.99 H new ATOM 0 HG23 THR A 117 0.640 4.492 -13.705 1.00 0.99 H new ATOM 1841 N PHE A 118 2.149 1.373 -10.850 1.00 0.68 N ATOM 1842 CA PHE A 118 3.165 1.305 -9.799 1.00 0.75 C ATOM 1843 C PHE A 118 4.379 0.416 -10.156 1.00 1.74 C ATOM 1844 O PHE A 118 5.441 0.585 -9.560 1.00 2.08 O ATOM 1845 CB PHE A 118 2.468 0.898 -8.488 1.00 0.76 C ATOM 1846 CG PHE A 118 1.715 2.049 -7.830 1.00 0.88 C ATOM 1847 CD1 PHE A 118 0.628 2.684 -8.470 1.00 1.89 C ATOM 1848 CD2 PHE A 118 2.145 2.535 -6.584 1.00 2.07 C ATOM 1849 CE1 PHE A 118 0.014 3.802 -7.882 1.00 1.92 C ATOM 1850 CE2 PHE A 118 1.516 3.636 -5.981 1.00 2.00 C ATOM 1851 CZ PHE A 118 0.445 4.270 -6.633 1.00 1.11 C ATOM 0 H PHE A 118 1.317 0.826 -10.627 1.00 0.68 H new ATOM 0 HA PHE A 118 3.615 2.290 -9.678 1.00 0.75 H new ATOM 0 HB2 PHE A 118 1.771 0.085 -8.691 1.00 0.76 H new ATOM 0 HB3 PHE A 118 3.213 0.513 -7.791 1.00 0.76 H new ATOM 0 HD1 PHE A 118 0.267 2.308 -9.416 1.00 1.89 H new ATOM 0 HD2 PHE A 118 2.972 2.054 -6.082 1.00 2.07 H new ATOM 0 HE1 PHE A 118 -0.794 4.303 -8.394 1.00 1.92 H new ATOM 0 HE2 PHE A 118 1.854 3.994 -5.020 1.00 2.00 H new ATOM 0 HZ PHE A 118 -0.045 5.116 -6.173 1.00 1.11 H new ATOM 1861 N GLY A 119 4.250 -0.502 -11.131 1.00 0.77 N ATOM 1862 CA GLY A 119 5.278 -1.490 -11.519 1.00 0.81 C ATOM 1863 C GLY A 119 5.163 -2.840 -10.819 1.00 0.86 C ATOM 1864 O GLY A 119 6.141 -3.578 -10.762 1.00 0.95 O ATOM 0 H GLY A 119 3.400 -0.581 -11.690 1.00 0.77 H new ATOM 0 HA2 GLY A 119 5.221 -1.649 -12.596 1.00 0.81 H new ATOM 0 HA3 GLY A 119 6.262 -1.071 -11.310 1.00 0.81 H new ATOM 1868 N VAL A 120 3.980 -3.163 -10.308 1.00 0.66 N ATOM 1869 CA VAL A 120 3.634 -4.452 -9.693 1.00 0.59 C ATOM 1870 C VAL A 120 3.156 -5.437 -10.757 1.00 0.80 C ATOM 1871 O VAL A 120 2.405 -5.104 -11.683 1.00 1.01 O ATOM 1872 CB VAL A 120 2.563 -4.299 -8.589 1.00 0.65 C ATOM 1873 CG1 VAL A 120 2.046 -5.627 -8.000 1.00 0.84 C ATOM 1874 CG2 VAL A 120 3.116 -3.443 -7.449 1.00 1.24 C ATOM 0 H VAL A 120 3.197 -2.509 -10.308 1.00 0.66 H new ATOM 0 HA VAL A 120 4.537 -4.840 -9.223 1.00 0.59 H new ATOM 0 HB VAL A 120 1.712 -3.825 -9.078 1.00 0.65 H new ATOM 0 HG11 VAL A 120 1.299 -5.419 -7.234 1.00 0.84 H new ATOM 0 HG12 VAL A 120 1.596 -6.226 -8.792 1.00 0.84 H new ATOM 0 HG13 VAL A 120 2.877 -6.176 -7.557 1.00 0.84 H new ATOM 0 HG21 VAL A 120 2.358 -3.337 -6.673 1.00 1.24 H new ATOM 0 HG22 VAL A 120 4.000 -3.923 -7.030 1.00 1.24 H new ATOM 0 HG23 VAL A 120 3.384 -2.458 -7.831 1.00 1.24 H new ATOM 1884 N PHE A 121 3.574 -6.681 -10.562 1.00 0.67 N ATOM 1885 CA PHE A 121 3.197 -7.853 -11.331 1.00 0.71 C ATOM 1886 C PHE A 121 2.623 -8.911 -10.378 1.00 1.59 C ATOM 1887 O PHE A 121 3.148 -9.152 -9.295 1.00 1.60 O ATOM 1888 CB PHE A 121 4.428 -8.335 -12.119 1.00 0.76 C ATOM 1889 CG PHE A 121 5.725 -8.420 -11.327 1.00 0.86 C ATOM 1890 CD1 PHE A 121 6.564 -7.288 -11.200 1.00 2.28 C ATOM 1891 CD2 PHE A 121 6.091 -9.635 -10.713 1.00 1.91 C ATOM 1892 CE1 PHE A 121 7.775 -7.392 -10.495 1.00 2.21 C ATOM 1893 CE2 PHE A 121 7.298 -9.729 -9.999 1.00 1.90 C ATOM 1894 CZ PHE A 121 8.149 -8.614 -9.905 1.00 1.04 C ATOM 0 H PHE A 121 4.228 -6.910 -9.813 1.00 0.67 H new ATOM 0 HA PHE A 121 2.416 -7.631 -12.058 1.00 0.71 H new ATOM 0 HB2 PHE A 121 4.210 -9.320 -12.531 1.00 0.76 H new ATOM 0 HB3 PHE A 121 4.582 -7.663 -12.963 1.00 0.76 H new ATOM 0 HD1 PHE A 121 6.275 -6.347 -11.644 1.00 2.28 H new ATOM 0 HD2 PHE A 121 5.443 -10.495 -10.791 1.00 1.91 H new ATOM 0 HE1 PHE A 121 8.421 -6.531 -10.405 1.00 2.21 H new ATOM 0 HE2 PHE A 121 7.572 -10.659 -9.522 1.00 1.90 H new ATOM 0 HZ PHE A 121 9.089 -8.695 -9.380 1.00 1.04 H new ATOM 1904 N TYR A 122 1.505 -9.508 -10.784 1.00 0.84 N ATOM 1905 CA TYR A 122 0.880 -10.650 -10.116 1.00 0.87 C ATOM 1906 C TYR A 122 0.325 -11.611 -11.172 1.00 1.24 C ATOM 1907 O TYR A 122 -0.145 -11.175 -12.231 1.00 1.42 O ATOM 1908 CB TYR A 122 -0.180 -10.174 -9.104 1.00 1.02 C ATOM 1909 CG TYR A 122 -1.396 -9.477 -9.692 1.00 1.18 C ATOM 1910 CD1 TYR A 122 -2.533 -10.233 -10.043 1.00 1.61 C ATOM 1911 CD2 TYR A 122 -1.404 -8.079 -9.860 1.00 2.48 C ATOM 1912 CE1 TYR A 122 -3.671 -9.602 -10.581 1.00 1.72 C ATOM 1913 CE2 TYR A 122 -2.541 -7.442 -10.392 1.00 2.66 C ATOM 1914 CZ TYR A 122 -3.670 -8.204 -10.765 1.00 1.67 C ATOM 1915 OH TYR A 122 -4.740 -7.575 -11.317 1.00 2.02 O ATOM 0 H TYR A 122 0.993 -9.202 -11.611 1.00 0.84 H new ATOM 0 HA TYR A 122 1.621 -11.199 -9.535 1.00 0.87 H new ATOM 0 HB2 TYR A 122 -0.521 -11.037 -8.532 1.00 1.02 H new ATOM 0 HB3 TYR A 122 0.299 -9.494 -8.399 1.00 1.02 H new ATOM 0 HD1 TYR A 122 -2.531 -11.303 -9.898 1.00 1.61 H new ATOM 0 HD2 TYR A 122 -0.539 -7.496 -9.581 1.00 2.48 H new ATOM 0 HE1 TYR A 122 -4.539 -10.185 -10.851 1.00 1.72 H new ATOM 0 HE2 TYR A 122 -2.550 -6.369 -10.515 1.00 2.66 H new ATOM 0 HH TYR A 122 -5.557 -8.071 -11.103 1.00 2.02 H new ATOM 1925 N GLN A 123 0.415 -12.912 -10.926 1.00 1.04 N ATOM 1926 CA GLN A 123 0.068 -13.955 -11.887 1.00 1.22 C ATOM 1927 C GLN A 123 -0.557 -15.146 -11.153 1.00 1.29 C ATOM 1928 O GLN A 123 -0.231 -15.388 -9.998 1.00 1.43 O ATOM 1929 CB GLN A 123 1.360 -14.325 -12.642 1.00 1.47 C ATOM 1930 CG GLN A 123 1.180 -15.267 -13.846 1.00 2.19 C ATOM 1931 CD GLN A 123 2.438 -15.396 -14.718 1.00 2.58 C ATOM 1932 OE1 GLN A 123 2.368 -15.560 -15.926 1.00 3.32 O ATOM 1933 NE2 GLN A 123 3.632 -15.319 -14.168 1.00 2.90 N ATOM 0 H GLN A 123 0.739 -13.281 -10.032 1.00 1.04 H new ATOM 0 HA GLN A 123 -0.676 -13.617 -12.608 1.00 1.22 H new ATOM 0 HB2 GLN A 123 1.832 -13.406 -12.990 1.00 1.47 H new ATOM 0 HB3 GLN A 123 2.050 -14.791 -11.939 1.00 1.47 H new ATOM 0 HG2 GLN A 123 0.896 -16.255 -13.484 1.00 2.19 H new ATOM 0 HG3 GLN A 123 0.357 -14.904 -14.461 1.00 2.19 H new ATOM 0 HE21 GLN A 123 3.722 -15.182 -13.161 1.00 2.90 H new ATOM 0 HE22 GLN A 123 4.467 -15.396 -14.749 1.00 2.90 H new ATOM 1942 N LYS A 124 -1.400 -15.942 -11.814 1.00 1.22 N ATOM 1943 CA LYS A 124 -1.781 -17.256 -11.280 1.00 1.16 C ATOM 1944 C LYS A 124 -1.883 -18.341 -12.359 1.00 1.79 C ATOM 1945 O LYS A 124 -2.198 -18.066 -13.517 1.00 2.38 O ATOM 1946 CB LYS A 124 -2.997 -17.171 -10.339 1.00 1.16 C ATOM 1947 CG LYS A 124 -4.295 -16.578 -10.904 1.00 1.76 C ATOM 1948 CD LYS A 124 -5.374 -16.656 -9.811 1.00 2.19 C ATOM 1949 CE LYS A 124 -6.657 -15.920 -10.200 1.00 2.76 C ATOM 1950 NZ LYS A 124 -7.667 -15.990 -9.117 1.00 3.36 N ATOM 0 H LYS A 124 -1.829 -15.706 -12.709 1.00 1.22 H new ATOM 0 HA LYS A 124 -0.957 -17.591 -10.650 1.00 1.16 H new ATOM 0 HB2 LYS A 124 -3.216 -18.177 -9.981 1.00 1.16 H new ATOM 0 HB3 LYS A 124 -2.708 -16.580 -9.470 1.00 1.16 H new ATOM 0 HG2 LYS A 124 -4.139 -15.544 -11.211 1.00 1.76 H new ATOM 0 HG3 LYS A 124 -4.611 -17.129 -11.790 1.00 1.76 H new ATOM 0 HD2 LYS A 124 -5.606 -17.702 -9.608 1.00 2.19 H new ATOM 0 HD3 LYS A 124 -4.982 -16.232 -8.887 1.00 2.19 H new ATOM 0 HE2 LYS A 124 -6.428 -14.877 -10.420 1.00 2.76 H new ATOM 0 HE3 LYS A 124 -7.067 -16.356 -11.111 1.00 2.76 H new ATOM 0 HZ1 LYS A 124 -8.337 -15.201 -9.215 1.00 3.36 H new ATOM 0 HZ2 LYS A 124 -8.182 -16.891 -9.180 1.00 3.36 H new ATOM 0 HZ3 LYS A 124 -7.191 -15.927 -8.194 1.00 3.36 H new ATOM 2120 N VAL A 135 -0.088 -18.989 -7.232 1.00 2.00 N ATOM 2121 CA VAL A 135 -0.143 -17.516 -7.371 1.00 1.51 C ATOM 2122 C VAL A 135 1.238 -16.899 -7.117 1.00 1.88 C ATOM 2123 O VAL A 135 1.990 -17.394 -6.280 1.00 2.37 O ATOM 2124 CB VAL A 135 -1.148 -16.866 -6.378 1.00 1.71 C ATOM 2125 CG1 VAL A 135 -1.368 -15.361 -6.641 1.00 2.12 C ATOM 2126 CG2 VAL A 135 -2.518 -17.559 -6.412 1.00 2.70 C ATOM 0 HA VAL A 135 -0.474 -17.318 -8.391 1.00 1.51 H new ATOM 0 HB VAL A 135 -0.690 -16.991 -5.397 1.00 1.71 H new ATOM 0 HG11 VAL A 135 -2.079 -14.965 -5.916 1.00 2.12 H new ATOM 0 HG12 VAL A 135 -0.420 -14.832 -6.545 1.00 2.12 H new ATOM 0 HG13 VAL A 135 -1.761 -15.221 -7.648 1.00 2.12 H new ATOM 0 HG21 VAL A 135 -3.189 -17.073 -5.704 1.00 2.70 H new ATOM 0 HG22 VAL A 135 -2.937 -17.488 -7.416 1.00 2.70 H new ATOM 0 HG23 VAL A 135 -2.402 -18.608 -6.141 1.00 2.70 H new ATOM 2136 N ASP A 136 1.526 -15.797 -7.813 1.00 1.10 N ATOM 2137 CA ASP A 136 2.646 -14.865 -7.637 1.00 1.16 C ATOM 2138 C ASP A 136 2.116 -13.428 -7.434 1.00 1.13 C ATOM 2139 O ASP A 136 1.157 -13.026 -8.093 1.00 1.38 O ATOM 2140 CB ASP A 136 3.560 -14.970 -8.882 1.00 1.71 C ATOM 2141 CG ASP A 136 4.065 -13.625 -9.430 1.00 3.59 C ATOM 2142 OD1 ASP A 136 4.966 -13.038 -8.793 1.00 4.48 O ATOM 2143 OD2 ASP A 136 3.527 -13.199 -10.481 1.00 4.76 O ATOM 0 H ASP A 136 0.927 -15.506 -8.586 1.00 1.10 H new ATOM 0 HA ASP A 136 3.224 -15.120 -6.749 1.00 1.16 H new ATOM 0 HB2 ASP A 136 4.421 -15.590 -8.631 1.00 1.71 H new ATOM 0 HB3 ASP A 136 3.015 -15.486 -9.672 1.00 1.71 H new ATOM 2148 N HIS A 137 2.731 -12.644 -6.541 1.00 0.83 N ATOM 2149 CA HIS A 137 2.648 -11.180 -6.581 1.00 0.83 C ATOM 2150 C HIS A 137 3.939 -10.488 -6.092 1.00 1.16 C ATOM 2151 O HIS A 137 4.634 -10.998 -5.208 1.00 1.30 O ATOM 2152 CB HIS A 137 1.416 -10.677 -5.806 1.00 1.02 C ATOM 2153 CG HIS A 137 1.558 -10.689 -4.305 1.00 1.48 C ATOM 2154 ND1 HIS A 137 1.823 -9.598 -3.510 1.00 2.60 N ATOM 2155 CD2 HIS A 137 1.407 -11.763 -3.472 1.00 1.79 C ATOM 2156 CE1 HIS A 137 1.819 -10.011 -2.231 1.00 2.93 C ATOM 2157 NE2 HIS A 137 1.575 -11.326 -2.151 1.00 2.39 N ATOM 0 H HIS A 137 3.298 -13.005 -5.774 1.00 0.83 H new ATOM 0 HA HIS A 137 2.533 -10.904 -7.629 1.00 0.83 H new ATOM 0 HB2 HIS A 137 1.195 -9.659 -6.127 1.00 1.02 H new ATOM 0 HB3 HIS A 137 0.558 -11.291 -6.080 1.00 1.02 H new ATOM 0 HD2 HIS A 137 1.194 -12.776 -3.780 1.00 1.79 H new ATOM 0 HE1 HIS A 137 1.990 -9.368 -1.380 1.00 2.93 H new ATOM 0 HE2 HIS A 137 1.522 -11.892 -1.304 1.00 2.39 H new ATOM 2166 N THR A 138 4.204 -9.260 -6.572 1.00 0.78 N ATOM 2167 CA THR A 138 5.217 -8.378 -5.966 1.00 0.77 C ATOM 2168 C THR A 138 4.668 -7.851 -4.644 1.00 1.09 C ATOM 2169 O THR A 138 3.760 -7.025 -4.628 1.00 1.90 O ATOM 2170 CB THR A 138 5.640 -7.202 -6.871 1.00 0.92 C ATOM 2171 OG1 THR A 138 5.245 -7.377 -8.202 1.00 1.63 O ATOM 2172 CG2 THR A 138 7.160 -7.065 -6.869 1.00 1.37 C ATOM 0 H THR A 138 3.730 -8.855 -7.379 1.00 0.78 H new ATOM 0 HA THR A 138 6.118 -8.971 -5.813 1.00 0.77 H new ATOM 0 HB THR A 138 5.151 -6.315 -6.467 1.00 0.92 H new ATOM 0 HG1 THR A 138 6.033 -7.350 -8.783 1.00 1.63 H new ATOM 0 HG21 THR A 138 7.451 -6.233 -7.510 1.00 1.37 H new ATOM 0 HG22 THR A 138 7.507 -6.879 -5.853 1.00 1.37 H new ATOM 0 HG23 THR A 138 7.609 -7.985 -7.243 1.00 1.37 H new ATOM 2180 N ALA A 139 5.189 -8.328 -3.517 1.00 0.72 N ATOM 2181 CA ALA A 139 4.702 -7.982 -2.172 1.00 0.65 C ATOM 2182 C ALA A 139 5.117 -6.571 -1.682 1.00 0.81 C ATOM 2183 O ALA A 139 5.493 -6.383 -0.526 1.00 1.43 O ATOM 2184 CB ALA A 139 5.113 -9.117 -1.222 1.00 0.87 C ATOM 0 H ALA A 139 5.975 -8.978 -3.506 1.00 0.72 H new ATOM 0 HA ALA A 139 3.615 -7.902 -2.198 1.00 0.65 H new ATOM 0 HB1 ALA A 139 4.766 -8.891 -0.214 1.00 0.87 H new ATOM 0 HB2 ALA A 139 4.666 -10.053 -1.558 1.00 0.87 H new ATOM 0 HB3 ALA A 139 6.199 -9.214 -1.219 1.00 0.87 H new ATOM 2190 N THR A 140 5.099 -5.571 -2.570 1.00 0.54 N ATOM 2191 CA THR A 140 5.857 -4.315 -2.433 1.00 0.51 C ATOM 2192 C THR A 140 5.003 -3.193 -1.845 1.00 0.70 C ATOM 2193 O THR A 140 3.783 -3.155 -2.017 1.00 1.00 O ATOM 2194 CB THR A 140 6.435 -3.922 -3.795 1.00 0.57 C ATOM 2195 OG1 THR A 140 7.187 -5.012 -4.264 1.00 0.96 O ATOM 2196 CG2 THR A 140 7.390 -2.726 -3.768 1.00 0.63 C ATOM 0 H THR A 140 4.545 -5.610 -3.425 1.00 0.54 H new ATOM 0 HA THR A 140 6.675 -4.478 -1.731 1.00 0.51 H new ATOM 0 HB THR A 140 5.584 -3.648 -4.419 1.00 0.57 H new ATOM 0 HG1 THR A 140 7.571 -4.792 -5.139 1.00 0.96 H new ATOM 0 HG21 THR A 140 7.748 -2.523 -4.777 1.00 0.63 H new ATOM 0 HG22 THR A 140 6.866 -1.850 -3.386 1.00 0.63 H new ATOM 0 HG23 THR A 140 8.238 -2.952 -3.121 1.00 0.63 H new ATOM 2204 N THR A 141 5.684 -2.289 -1.126 1.00 0.51 N ATOM 2205 CA THR A 141 5.140 -1.062 -0.528 1.00 0.54 C ATOM 2206 C THR A 141 5.677 0.147 -1.290 1.00 0.88 C ATOM 2207 O THR A 141 6.839 0.184 -1.692 1.00 0.93 O ATOM 2208 CB THR A 141 5.516 -1.001 0.955 1.00 0.65 C ATOM 2209 OG1 THR A 141 4.890 -2.091 1.585 1.00 1.12 O ATOM 2210 CG2 THR A 141 5.034 0.256 1.684 1.00 1.23 C ATOM 0 H THR A 141 6.680 -2.400 -0.936 1.00 0.51 H new ATOM 0 HA THR A 141 4.052 -1.058 -0.598 1.00 0.54 H new ATOM 0 HB THR A 141 6.605 -1.007 1.003 1.00 0.65 H new ATOM 0 HG1 THR A 141 5.109 -2.087 2.540 1.00 1.12 H new ATOM 0 HG21 THR A 141 5.345 0.213 2.728 1.00 1.23 H new ATOM 0 HG22 THR A 141 5.466 1.138 1.212 1.00 1.23 H new ATOM 0 HG23 THR A 141 3.947 0.313 1.632 1.00 1.23 H new ATOM 2218 N PHE A 142 4.823 1.145 -1.493 1.00 0.67 N ATOM 2219 CA PHE A 142 5.094 2.298 -2.352 1.00 0.68 C ATOM 2220 C PHE A 142 4.679 3.598 -1.669 1.00 1.86 C ATOM 2221 O PHE A 142 3.549 3.717 -1.190 1.00 2.17 O ATOM 2222 CB PHE A 142 4.302 2.153 -3.658 1.00 0.70 C ATOM 2223 CG PHE A 142 4.639 0.932 -4.482 1.00 0.79 C ATOM 2224 CD1 PHE A 142 3.996 -0.294 -4.225 1.00 1.73 C ATOM 2225 CD2 PHE A 142 5.546 1.037 -5.550 1.00 1.98 C ATOM 2226 CE1 PHE A 142 4.286 -1.413 -5.020 1.00 1.68 C ATOM 2227 CE2 PHE A 142 5.844 -0.086 -6.338 1.00 1.81 C ATOM 2228 CZ PHE A 142 5.222 -1.313 -6.065 1.00 0.81 C ATOM 0 H PHE A 142 3.902 1.178 -1.056 1.00 0.67 H new ATOM 0 HA PHE A 142 6.165 2.332 -2.554 1.00 0.68 H new ATOM 0 HB2 PHE A 142 3.239 2.128 -3.419 1.00 0.70 H new ATOM 0 HB3 PHE A 142 4.471 3.041 -4.267 1.00 0.70 H new ATOM 0 HD1 PHE A 142 3.282 -0.373 -3.419 1.00 1.73 H new ATOM 0 HD2 PHE A 142 6.016 1.985 -5.766 1.00 1.98 H new ATOM 0 HE1 PHE A 142 3.790 -2.353 -4.829 1.00 1.68 H new ATOM 0 HE2 PHE A 142 6.550 -0.005 -7.152 1.00 1.81 H new ATOM 0 HZ PHE A 142 5.462 -2.183 -6.658 1.00 0.81 H new ATOM 2238 N VAL A 143 5.569 4.591 -1.682 1.00 0.63 N ATOM 2239 CA VAL A 143 5.292 5.931 -1.158 1.00 0.56 C ATOM 2240 C VAL A 143 4.954 6.872 -2.307 1.00 0.75 C ATOM 2241 O VAL A 143 5.725 7.067 -3.252 1.00 0.96 O ATOM 2242 CB VAL A 143 6.442 6.520 -0.314 1.00 0.64 C ATOM 2243 CG1 VAL A 143 5.969 7.806 0.386 1.00 0.68 C ATOM 2244 CG2 VAL A 143 6.882 5.523 0.764 1.00 1.02 C ATOM 0 H VAL A 143 6.511 4.488 -2.060 1.00 0.63 H new ATOM 0 HA VAL A 143 4.442 5.830 -0.483 1.00 0.56 H new ATOM 0 HB VAL A 143 7.277 6.734 -0.981 1.00 0.64 H new ATOM 0 HG11 VAL A 143 6.785 8.218 0.980 1.00 0.68 H new ATOM 0 HG12 VAL A 143 5.661 8.536 -0.363 1.00 0.68 H new ATOM 0 HG13 VAL A 143 5.125 7.577 1.037 1.00 0.68 H new ATOM 0 HG21 VAL A 143 7.694 5.955 1.350 1.00 1.02 H new ATOM 0 HG22 VAL A 143 6.040 5.301 1.419 1.00 1.02 H new ATOM 0 HG23 VAL A 143 7.226 4.603 0.291 1.00 1.02 H new ATOM 2254 N VAL A 144 3.778 7.470 -2.176 1.00 0.48 N ATOM 2255 CA VAL A 144 3.221 8.491 -3.077 1.00 0.50 C ATOM 2256 C VAL A 144 2.955 9.796 -2.321 1.00 0.92 C ATOM 2257 O VAL A 144 2.351 9.777 -1.251 1.00 0.88 O ATOM 2258 CB VAL A 144 1.913 7.985 -3.739 1.00 0.63 C ATOM 2259 CG1 VAL A 144 1.010 9.083 -4.341 1.00 1.51 C ATOM 2260 CG2 VAL A 144 2.271 6.998 -4.854 1.00 1.62 C ATOM 0 H VAL A 144 3.149 7.251 -1.403 1.00 0.48 H new ATOM 0 HA VAL A 144 3.956 8.684 -3.859 1.00 0.50 H new ATOM 0 HB VAL A 144 1.339 7.527 -2.933 1.00 0.63 H new ATOM 0 HG11 VAL A 144 0.123 8.625 -4.779 1.00 1.51 H new ATOM 0 HG12 VAL A 144 0.710 9.778 -3.557 1.00 1.51 H new ATOM 0 HG13 VAL A 144 1.558 9.622 -5.113 1.00 1.51 H new ATOM 0 HG21 VAL A 144 1.358 6.636 -5.326 1.00 1.62 H new ATOM 0 HG22 VAL A 144 2.891 7.499 -5.598 1.00 1.62 H new ATOM 0 HG23 VAL A 144 2.820 6.156 -4.432 1.00 1.62 H new ATOM 2270 N LYS A 145 3.327 10.926 -2.924 1.00 0.58 N ATOM 2271 CA LYS A 145 2.834 12.260 -2.560 1.00 0.68 C ATOM 2272 C LYS A 145 2.025 12.822 -3.732 1.00 1.16 C ATOM 2273 O LYS A 145 2.454 12.638 -4.865 1.00 1.54 O ATOM 2274 CB LYS A 145 4.046 13.161 -2.235 1.00 1.01 C ATOM 2275 CG LYS A 145 3.718 14.548 -1.644 1.00 1.24 C ATOM 2276 CD LYS A 145 2.781 14.437 -0.436 1.00 2.03 C ATOM 2277 CE LYS A 145 3.024 15.495 0.642 1.00 1.98 C ATOM 2278 NZ LYS A 145 2.340 16.795 0.482 1.00 3.08 N ATOM 0 H LYS A 145 3.994 10.942 -3.696 1.00 0.58 H new ATOM 0 HA LYS A 145 2.188 12.215 -1.683 1.00 0.68 H new ATOM 0 HB2 LYS A 145 4.689 12.631 -1.532 1.00 1.01 H new ATOM 0 HB3 LYS A 145 4.622 13.304 -3.149 1.00 1.01 H new ATOM 0 HG2 LYS A 145 4.641 15.045 -1.345 1.00 1.24 H new ATOM 0 HG3 LYS A 145 3.254 15.170 -2.409 1.00 1.24 H new ATOM 0 HD2 LYS A 145 1.750 14.515 -0.781 1.00 2.03 H new ATOM 0 HD3 LYS A 145 2.894 13.448 0.008 1.00 2.03 H new ATOM 0 HE2 LYS A 145 2.726 15.073 1.602 1.00 1.98 H new ATOM 0 HE3 LYS A 145 4.096 15.682 0.695 1.00 1.98 H new ATOM 0 HZ1 LYS A 145 2.196 17.229 1.416 1.00 3.08 H new ATOM 0 HZ2 LYS A 145 2.923 17.424 -0.106 1.00 3.08 H new ATOM 0 HZ3 LYS A 145 1.418 16.648 0.023 1.00 3.08 H new ATOM 2292 N GLU A 146 0.882 13.487 -3.524 1.00 1.27 N ATOM 2293 CA GLU A 146 0.294 14.431 -4.511 1.00 1.55 C ATOM 2294 C GLU A 146 -0.348 13.760 -5.753 1.00 1.89 C ATOM 2295 O GLU A 146 -0.965 14.438 -6.570 1.00 2.54 O ATOM 2296 CB GLU A 146 1.399 15.408 -4.968 1.00 1.64 C ATOM 2297 CG GLU A 146 0.983 16.808 -5.411 1.00 2.47 C ATOM 2298 CD GLU A 146 2.262 17.530 -5.825 1.00 2.54 C ATOM 2299 OE1 GLU A 146 2.891 18.170 -4.955 1.00 2.85 O ATOM 2300 OE2 GLU A 146 2.781 17.243 -6.927 1.00 3.02 O ATOM 0 H GLU A 146 0.331 13.393 -2.671 1.00 1.27 H new ATOM 0 HA GLU A 146 -0.524 14.941 -4.003 1.00 1.55 H new ATOM 0 HB2 GLU A 146 2.109 15.515 -4.148 1.00 1.64 H new ATOM 0 HB3 GLU A 146 1.935 14.942 -5.795 1.00 1.64 H new ATOM 0 HG2 GLU A 146 0.279 16.759 -6.242 1.00 2.47 H new ATOM 0 HG3 GLU A 146 0.483 17.339 -4.601 1.00 2.47 H new ATOM 2307 N GLY A 147 -0.209 12.439 -5.934 1.00 1.29 N ATOM 2308 CA GLY A 147 -0.466 11.738 -7.204 1.00 1.22 C ATOM 2309 C GLY A 147 0.805 11.400 -7.993 1.00 1.00 C ATOM 2310 O GLY A 147 0.743 11.179 -9.198 1.00 1.06 O ATOM 0 H GLY A 147 0.092 11.813 -5.187 1.00 1.29 H new ATOM 0 HA2 GLY A 147 -1.009 10.816 -6.996 1.00 1.22 H new ATOM 0 HA3 GLY A 147 -1.114 12.357 -7.825 1.00 1.22 H new ATOM 2314 N ARG A 148 1.969 11.360 -7.331 1.00 0.87 N ATOM 2315 CA ARG A 148 3.254 10.940 -7.898 1.00 0.75 C ATOM 2316 C ARG A 148 4.036 10.027 -6.950 1.00 1.12 C ATOM 2317 O ARG A 148 4.021 10.179 -5.729 1.00 1.34 O ATOM 2318 CB ARG A 148 4.116 12.137 -8.349 1.00 0.88 C ATOM 2319 CG ARG A 148 4.121 13.284 -7.347 1.00 1.37 C ATOM 2320 CD ARG A 148 5.104 14.388 -7.723 1.00 1.52 C ATOM 2321 NE ARG A 148 4.947 15.539 -6.816 1.00 2.18 N ATOM 2322 CZ ARG A 148 5.655 15.847 -5.739 1.00 3.21 C ATOM 2323 NH1 ARG A 148 6.677 15.115 -5.339 1.00 4.07 N ATOM 2324 NH2 ARG A 148 5.336 16.909 -5.035 1.00 3.96 N ATOM 0 H ARG A 148 2.042 11.629 -6.350 1.00 0.87 H new ATOM 0 HA ARG A 148 3.013 10.359 -8.788 1.00 0.75 H new ATOM 0 HB2 ARG A 148 5.140 11.799 -8.510 1.00 0.88 H new ATOM 0 HB3 ARG A 148 3.747 12.502 -9.307 1.00 0.88 H new ATOM 0 HG2 ARG A 148 3.118 13.704 -7.277 1.00 1.37 H new ATOM 0 HG3 ARG A 148 4.375 12.898 -6.360 1.00 1.37 H new ATOM 0 HD2 ARG A 148 6.125 14.010 -7.669 1.00 1.52 H new ATOM 0 HD3 ARG A 148 4.934 14.701 -8.753 1.00 1.52 H new ATOM 0 HE ARG A 148 4.193 16.185 -7.048 1.00 2.18 H new ATOM 0 HH11 ARG A 148 6.944 14.282 -5.864 1.00 4.07 H new ATOM 0 HH12 ARG A 148 7.200 15.382 -4.505 1.00 4.07 H new ATOM 0 HH21 ARG A 148 4.548 17.491 -5.318 1.00 3.96 H new ATOM 0 HH22 ARG A 148 5.877 17.152 -4.205 1.00 3.96 H new ATOM 2338 N LEU A 149 4.771 9.092 -7.553 1.00 0.59 N ATOM 2339 CA LEU A 149 5.661 8.138 -6.887 1.00 0.54 C ATOM 2340 C LEU A 149 6.873 8.918 -6.357 1.00 0.98 C ATOM 2341 O LEU A 149 7.403 9.754 -7.086 1.00 1.52 O ATOM 2342 CB LEU A 149 6.070 7.041 -7.906 1.00 0.71 C ATOM 2343 CG LEU A 149 5.941 5.564 -7.476 1.00 0.86 C ATOM 2344 CD1 LEU A 149 6.669 5.239 -6.165 1.00 1.68 C ATOM 2345 CD2 LEU A 149 4.476 5.134 -7.364 1.00 2.31 C ATOM 0 H LEU A 149 4.762 8.973 -8.566 1.00 0.59 H new ATOM 0 HA LEU A 149 5.173 7.642 -6.048 1.00 0.54 H new ATOM 0 HB2 LEU A 149 5.469 7.180 -8.805 1.00 0.71 H new ATOM 0 HB3 LEU A 149 7.108 7.217 -8.186 1.00 0.71 H new ATOM 0 HG LEU A 149 6.428 4.997 -8.269 1.00 0.86 H new ATOM 0 HD11 LEU A 149 6.534 4.184 -5.926 1.00 1.68 H new ATOM 0 HD12 LEU A 149 7.732 5.453 -6.276 1.00 1.68 H new ATOM 0 HD13 LEU A 149 6.258 5.849 -5.360 1.00 1.68 H new ATOM 0 HD21 LEU A 149 4.426 4.089 -7.059 1.00 2.31 H new ATOM 0 HD22 LEU A 149 3.971 5.753 -6.622 1.00 2.31 H new ATOM 0 HD23 LEU A 149 3.987 5.254 -8.331 1.00 2.31 H new ATOM 2357 N VAL A 150 7.301 8.657 -5.121 1.00 0.51 N ATOM 2358 CA VAL A 150 8.444 9.356 -4.486 1.00 0.59 C ATOM 2359 C VAL A 150 9.461 8.415 -3.809 1.00 0.94 C ATOM 2360 O VAL A 150 10.633 8.786 -3.696 1.00 1.10 O ATOM 2361 CB VAL A 150 7.977 10.473 -3.512 1.00 0.70 C ATOM 2362 CG1 VAL A 150 7.275 11.623 -4.256 1.00 1.50 C ATOM 2363 CG2 VAL A 150 7.031 9.979 -2.405 1.00 1.29 C ATOM 0 H VAL A 150 6.870 7.954 -4.521 1.00 0.51 H new ATOM 0 HA VAL A 150 8.978 9.826 -5.312 1.00 0.59 H new ATOM 0 HB VAL A 150 8.898 10.823 -3.046 1.00 0.70 H new ATOM 0 HG11 VAL A 150 6.964 12.383 -3.540 1.00 1.50 H new ATOM 0 HG12 VAL A 150 7.963 12.064 -4.977 1.00 1.50 H new ATOM 0 HG13 VAL A 150 6.400 11.237 -4.779 1.00 1.50 H new ATOM 0 HG21 VAL A 150 6.750 10.816 -1.766 1.00 1.29 H new ATOM 0 HG22 VAL A 150 6.136 9.550 -2.856 1.00 1.29 H new ATOM 0 HG23 VAL A 150 7.536 9.220 -1.807 1.00 1.29 H new ATOM 2373 N LEU A 151 9.062 7.190 -3.424 1.00 0.52 N ATOM 2374 CA LEU A 151 9.905 6.233 -2.690 1.00 0.55 C ATOM 2375 C LEU A 151 9.339 4.802 -2.711 1.00 1.02 C ATOM 2376 O LEU A 151 8.120 4.613 -2.767 1.00 1.19 O ATOM 2377 CB LEU A 151 10.094 6.765 -1.247 1.00 0.62 C ATOM 2378 CG LEU A 151 11.565 7.062 -0.920 1.00 0.88 C ATOM 2379 CD1 LEU A 151 11.680 8.153 0.138 1.00 1.00 C ATOM 2380 CD2 LEU A 151 12.262 5.812 -0.392 1.00 0.91 C ATOM 0 H LEU A 151 8.127 6.832 -3.618 1.00 0.52 H new ATOM 0 HA LEU A 151 10.873 6.157 -3.185 1.00 0.55 H new ATOM 0 HB2 LEU A 151 9.505 7.673 -1.118 1.00 0.62 H new ATOM 0 HB3 LEU A 151 9.708 6.032 -0.539 1.00 0.62 H new ATOM 0 HG LEU A 151 12.040 7.393 -1.843 1.00 0.88 H new ATOM 0 HD11 LEU A 151 12.732 8.344 0.351 1.00 1.00 H new ATOM 0 HD12 LEU A 151 11.213 9.067 -0.229 1.00 1.00 H new ATOM 0 HD13 LEU A 151 11.178 7.830 1.050 1.00 1.00 H new ATOM 0 HD21 LEU A 151 13.303 6.044 -0.166 1.00 0.91 H new ATOM 0 HD22 LEU A 151 11.761 5.472 0.514 1.00 0.91 H new ATOM 0 HD23 LEU A 151 12.220 5.026 -1.146 1.00 0.91 H new ATOM 2392 N LEU A 152 10.216 3.794 -2.666 1.00 0.59 N ATOM 2393 CA LEU A 152 9.865 2.364 -2.658 1.00 0.57 C ATOM 2394 C LEU A 152 10.337 1.669 -1.370 1.00 1.11 C ATOM 2395 O LEU A 152 11.364 2.044 -0.803 1.00 1.21 O ATOM 2396 CB LEU A 152 10.514 1.666 -3.869 1.00 0.64 C ATOM 2397 CG LEU A 152 10.222 2.282 -5.249 1.00 0.73 C ATOM 2398 CD1 LEU A 152 11.068 1.585 -6.324 1.00 0.88 C ATOM 2399 CD2 LEU A 152 8.738 2.162 -5.603 1.00 0.87 C ATOM 0 H LEU A 152 11.223 3.953 -2.633 1.00 0.59 H new ATOM 0 HA LEU A 152 8.779 2.290 -2.710 1.00 0.57 H new ATOM 0 HB2 LEU A 152 11.594 1.657 -3.720 1.00 0.64 H new ATOM 0 HB3 LEU A 152 10.185 0.627 -3.882 1.00 0.64 H new ATOM 0 HG LEU A 152 10.482 3.340 -5.209 1.00 0.73 H new ATOM 0 HD11 LEU A 152 10.855 2.027 -7.297 1.00 0.88 H new ATOM 0 HD12 LEU A 152 12.126 1.710 -6.092 1.00 0.88 H new ATOM 0 HD13 LEU A 152 10.824 0.523 -6.347 1.00 0.88 H new ATOM 0 HD21 LEU A 152 8.561 2.605 -6.583 1.00 0.87 H new ATOM 0 HD22 LEU A 152 8.453 1.110 -5.624 1.00 0.87 H new ATOM 0 HD23 LEU A 152 8.142 2.685 -4.855 1.00 0.87 H new ATOM 2411 N TYR A 153 9.619 0.620 -0.954 1.00 0.58 N ATOM 2412 CA TYR A 153 9.962 -0.245 0.183 1.00 0.59 C ATOM 2413 C TYR A 153 9.651 -1.731 -0.092 1.00 1.11 C ATOM 2414 O TYR A 153 8.531 -2.106 -0.442 1.00 1.42 O ATOM 2415 CB TYR A 153 9.166 0.189 1.426 1.00 0.62 C ATOM 2416 CG TYR A 153 9.694 1.374 2.212 1.00 0.80 C ATOM 2417 CD1 TYR A 153 10.951 1.296 2.845 1.00 1.84 C ATOM 2418 CD2 TYR A 153 8.878 2.507 2.407 1.00 1.76 C ATOM 2419 CE1 TYR A 153 11.397 2.350 3.662 1.00 1.84 C ATOM 2420 CE2 TYR A 153 9.318 3.561 3.229 1.00 2.05 C ATOM 2421 CZ TYR A 153 10.578 3.484 3.854 1.00 1.31 C ATOM 2422 OH TYR A 153 10.968 4.497 4.669 1.00 1.77 O ATOM 0 H TYR A 153 8.753 0.339 -1.415 1.00 0.58 H new ATOM 0 HA TYR A 153 11.035 -0.141 0.345 1.00 0.59 H new ATOM 0 HB2 TYR A 153 8.148 0.420 1.111 1.00 0.62 H new ATOM 0 HB3 TYR A 153 9.105 -0.664 2.102 1.00 0.62 H new ATOM 0 HD1 TYR A 153 11.573 0.425 2.702 1.00 1.84 H new ATOM 0 HD2 TYR A 153 7.914 2.566 1.925 1.00 1.76 H new ATOM 0 HE1 TYR A 153 12.363 2.292 4.141 1.00 1.84 H new ATOM 0 HE2 TYR A 153 8.691 4.427 3.380 1.00 2.05 H new ATOM 0 HH TYR A 153 11.940 4.610 4.609 1.00 1.77 H new ATOM 2432 N SER A 154 10.609 -2.620 0.180 1.00 0.96 N ATOM 2433 CA SER A 154 10.316 -4.031 0.485 1.00 0.88 C ATOM 2434 C SER A 154 9.421 -4.119 1.744 1.00 0.95 C ATOM 2435 O SER A 154 9.570 -3.267 2.628 1.00 1.14 O ATOM 2436 CB SER A 154 11.623 -4.816 0.719 1.00 1.23 C ATOM 2437 OG SER A 154 12.770 -4.241 0.102 1.00 1.86 O ATOM 0 H SER A 154 11.603 -2.390 0.196 1.00 0.96 H new ATOM 0 HA SER A 154 9.792 -4.470 -0.364 1.00 0.88 H new ATOM 0 HB2 SER A 154 11.801 -4.891 1.792 1.00 1.23 H new ATOM 0 HB3 SER A 154 11.495 -5.832 0.345 1.00 1.23 H new ATOM 0 HG SER A 154 13.557 -4.792 0.296 1.00 1.86 H new ATOM 2443 N PRO A 155 8.528 -5.118 1.886 1.00 0.78 N ATOM 2444 CA PRO A 155 7.652 -5.223 3.054 1.00 1.24 C ATOM 2445 C PRO A 155 8.461 -5.474 4.334 1.00 1.49 C ATOM 2446 O PRO A 155 8.165 -4.901 5.381 1.00 1.63 O ATOM 2447 CB PRO A 155 6.710 -6.386 2.742 1.00 1.51 C ATOM 2448 CG PRO A 155 7.523 -7.271 1.796 1.00 1.13 C ATOM 2449 CD PRO A 155 8.355 -6.263 1.003 1.00 0.79 C ATOM 0 HA PRO A 155 7.101 -4.300 3.236 1.00 1.24 H new ATOM 0 HB2 PRO A 155 6.425 -6.923 3.646 1.00 1.51 H new ATOM 0 HB3 PRO A 155 5.789 -6.040 2.273 1.00 1.51 H new ATOM 0 HG2 PRO A 155 8.154 -7.972 2.343 1.00 1.13 H new ATOM 0 HG3 PRO A 155 6.879 -7.862 1.145 1.00 1.13 H new ATOM 0 HD2 PRO A 155 9.318 -6.687 0.718 1.00 0.79 H new ATOM 0 HD3 PRO A 155 7.848 -5.975 0.082 1.00 0.79 H new ATOM 2457 N ASP A 156 9.533 -6.257 4.207 1.00 1.37 N ATOM 2458 CA ASP A 156 10.556 -6.554 5.211 1.00 1.68 C ATOM 2459 C ASP A 156 11.445 -5.355 5.587 1.00 1.72 C ATOM 2460 O ASP A 156 12.266 -5.412 6.501 1.00 2.06 O ATOM 2461 CB ASP A 156 11.386 -7.737 4.681 1.00 1.98 C ATOM 2462 CG ASP A 156 12.048 -7.443 3.330 1.00 1.90 C ATOM 2463 OD1 ASP A 156 11.308 -7.366 2.317 1.00 2.72 O ATOM 2464 OD2 ASP A 156 13.286 -7.246 3.317 1.00 2.02 O ATOM 0 H ASP A 156 9.724 -6.739 3.328 1.00 1.37 H new ATOM 0 HA ASP A 156 10.058 -6.808 6.147 1.00 1.68 H new ATOM 0 HB2 ASP A 156 12.156 -7.990 5.410 1.00 1.98 H new ATOM 0 HB3 ASP A 156 10.742 -8.611 4.582 1.00 1.98 H new ATOM 2469 N LYS A 157 11.319 -4.238 4.874 1.00 1.23 N ATOM 2470 CA LYS A 157 11.893 -2.948 5.241 1.00 1.12 C ATOM 2471 C LYS A 157 10.820 -1.955 5.699 1.00 1.29 C ATOM 2472 O LYS A 157 11.113 -1.160 6.593 1.00 1.38 O ATOM 2473 CB LYS A 157 12.770 -2.430 4.084 1.00 1.19 C ATOM 2474 CG LYS A 157 13.846 -3.448 3.653 1.00 1.90 C ATOM 2475 CD LYS A 157 14.867 -3.833 4.745 1.00 2.98 C ATOM 2476 CE LYS A 157 15.350 -5.277 4.535 1.00 3.44 C ATOM 2477 NZ LYS A 157 14.653 -6.258 5.407 1.00 4.50 N ATOM 0 H LYS A 157 10.798 -4.206 3.998 1.00 1.23 H new ATOM 0 HA LYS A 157 12.541 -3.071 6.109 1.00 1.12 H new ATOM 0 HB2 LYS A 157 12.136 -2.194 3.230 1.00 1.19 H new ATOM 0 HB3 LYS A 157 13.254 -1.502 4.387 1.00 1.19 H new ATOM 0 HG2 LYS A 157 13.348 -4.354 3.309 1.00 1.90 H new ATOM 0 HG3 LYS A 157 14.388 -3.039 2.800 1.00 1.90 H new ATOM 0 HD2 LYS A 157 15.716 -3.150 4.716 1.00 2.98 H new ATOM 0 HD3 LYS A 157 14.411 -3.734 5.730 1.00 2.98 H new ATOM 0 HE2 LYS A 157 15.200 -5.556 3.492 1.00 3.44 H new ATOM 0 HE3 LYS A 157 16.422 -5.327 4.727 1.00 3.44 H new ATOM 0 HZ1 LYS A 157 15.350 -6.751 6.001 1.00 4.50 H new ATOM 0 HZ2 LYS A 157 13.971 -5.760 6.014 1.00 4.50 H new ATOM 0 HZ3 LYS A 157 14.150 -6.951 4.817 1.00 4.50 H new ATOM 2491 N ALA A 158 9.577 -2.059 5.222 1.00 0.85 N ATOM 2492 CA ALA A 158 8.429 -1.368 5.821 1.00 0.86 C ATOM 2493 C ALA A 158 8.174 -1.813 7.283 1.00 1.07 C ATOM 2494 O ALA A 158 7.693 -1.002 8.075 1.00 1.11 O ATOM 2495 CB ALA A 158 7.224 -1.563 4.895 1.00 0.92 C ATOM 0 H ALA A 158 9.336 -2.625 4.408 1.00 0.85 H new ATOM 0 HA ALA A 158 8.633 -0.300 5.904 1.00 0.86 H new ATOM 0 HB1 ALA A 158 6.355 -1.058 5.317 1.00 0.92 H new ATOM 0 HB2 ALA A 158 7.447 -1.142 3.914 1.00 0.92 H new ATOM 0 HB3 ALA A 158 7.012 -2.627 4.793 1.00 0.92 H new ATOM 2501 N GLU A 159 8.611 -3.034 7.655 1.00 0.80 N ATOM 2502 CA GLU A 159 8.791 -3.502 9.044 1.00 0.73 C ATOM 2503 C GLU A 159 9.386 -2.428 9.967 1.00 1.25 C ATOM 2504 O GLU A 159 8.936 -2.289 11.108 1.00 1.51 O ATOM 2505 CB GLU A 159 9.773 -4.693 9.095 1.00 1.14 C ATOM 2506 CG GLU A 159 9.192 -6.067 8.743 1.00 1.48 C ATOM 2507 CD GLU A 159 10.253 -7.185 8.804 1.00 2.74 C ATOM 2508 OE1 GLU A 159 11.264 -7.006 9.520 1.00 4.02 O ATOM 2509 OE2 GLU A 159 10.041 -8.209 8.118 1.00 3.28 O ATOM 0 H GLU A 159 8.857 -3.748 6.969 1.00 0.80 H new ATOM 0 HA GLU A 159 7.792 -3.774 9.384 1.00 0.73 H new ATOM 0 HB2 GLU A 159 10.598 -4.486 8.414 1.00 1.14 H new ATOM 0 HB3 GLU A 159 10.194 -4.747 10.099 1.00 1.14 H new ATOM 0 HG2 GLU A 159 8.380 -6.302 9.431 1.00 1.48 H new ATOM 0 HG3 GLU A 159 8.762 -6.031 7.742 1.00 1.48 H new ATOM 2516 N ALA A 160 10.396 -1.672 9.504 1.00 1.02 N ATOM 2517 CA ALA A 160 11.120 -0.697 10.315 1.00 1.07 C ATOM 2518 C ALA A 160 10.288 0.580 10.525 1.00 1.30 C ATOM 2519 O ALA A 160 10.667 1.653 10.046 1.00 1.26 O ATOM 2520 CB ALA A 160 12.501 -0.424 9.691 1.00 1.16 C ATOM 0 H ALA A 160 10.732 -1.727 8.542 1.00 1.02 H new ATOM 0 HA ALA A 160 11.289 -1.107 11.311 1.00 1.07 H new ATOM 0 HB1 ALA A 160 13.038 0.304 10.299 1.00 1.16 H new ATOM 0 HB2 ALA A 160 13.071 -1.352 9.649 1.00 1.16 H new ATOM 0 HB3 ALA A 160 12.373 -0.030 8.683 1.00 1.16 H new ATOM 2526 N THR A 161 9.178 0.465 11.269 1.00 1.11 N ATOM 2527 CA THR A 161 8.233 1.546 11.614 1.00 1.16 C ATOM 2528 C THR A 161 8.954 2.856 11.858 1.00 1.23 C ATOM 2529 O THR A 161 8.722 3.836 11.165 1.00 1.42 O ATOM 2530 CB THR A 161 7.467 1.221 12.900 1.00 1.27 C ATOM 2531 OG1 THR A 161 6.791 -0.006 12.825 1.00 1.18 O ATOM 2532 CG2 THR A 161 6.435 2.290 13.223 1.00 1.51 C ATOM 0 H THR A 161 8.897 -0.430 11.669 1.00 1.11 H new ATOM 0 HA THR A 161 7.553 1.634 10.767 1.00 1.16 H new ATOM 0 HB THR A 161 8.225 1.174 13.682 1.00 1.27 H new ATOM 0 HG1 THR A 161 6.319 -0.171 13.668 1.00 1.18 H new ATOM 0 HG21 THR A 161 5.912 2.025 14.142 1.00 1.51 H new ATOM 0 HG22 THR A 161 6.934 3.250 13.354 1.00 1.51 H new ATOM 0 HG23 THR A 161 5.718 2.362 12.405 1.00 1.51 H new ATOM 2540 N ASP A 162 9.841 2.871 12.846 1.00 1.21 N ATOM 2541 CA ASP A 162 10.486 4.088 13.322 1.00 1.30 C ATOM 2542 C ASP A 162 11.504 4.658 12.303 1.00 1.45 C ATOM 2543 O ASP A 162 11.765 5.862 12.317 1.00 1.51 O ATOM 2544 CB ASP A 162 11.048 3.778 14.720 1.00 1.55 C ATOM 2545 CG ASP A 162 9.929 3.343 15.696 1.00 2.36 C ATOM 2546 OD1 ASP A 162 9.572 2.141 15.715 1.00 3.16 O ATOM 2547 OD2 ASP A 162 9.402 4.224 16.418 1.00 3.20 O ATOM 0 H ASP A 162 10.135 2.031 13.344 1.00 1.21 H new ATOM 0 HA ASP A 162 9.774 4.908 13.415 1.00 1.30 H new ATOM 0 HB2 ASP A 162 11.795 2.988 14.646 1.00 1.55 H new ATOM 0 HB3 ASP A 162 11.554 4.660 15.114 1.00 1.55 H new ATOM 2552 N ARG A 163 11.998 3.844 11.349 1.00 1.22 N ATOM 2553 CA ARG A 163 12.632 4.348 10.115 1.00 1.27 C ATOM 2554 C ARG A 163 11.599 4.960 9.164 1.00 1.38 C ATOM 2555 O ARG A 163 11.794 6.096 8.740 1.00 1.73 O ATOM 2556 CB ARG A 163 13.436 3.268 9.359 1.00 1.28 C ATOM 2557 CG ARG A 163 14.557 2.593 10.162 1.00 1.41 C ATOM 2558 CD ARG A 163 15.670 3.558 10.577 1.00 1.67 C ATOM 2559 NE ARG A 163 16.583 3.911 9.466 1.00 2.39 N ATOM 2560 CZ ARG A 163 16.818 5.114 8.948 1.00 3.92 C ATOM 2561 NH1 ARG A 163 16.101 6.180 9.229 1.00 4.62 N ATOM 2562 NH2 ARG A 163 17.804 5.288 8.099 1.00 5.05 N ATOM 0 H ARG A 163 11.969 2.826 11.411 1.00 1.22 H new ATOM 0 HA ARG A 163 13.331 5.117 10.444 1.00 1.27 H new ATOM 0 HB2 ARG A 163 12.744 2.498 9.017 1.00 1.28 H new ATOM 0 HB3 ARG A 163 13.873 3.722 8.470 1.00 1.28 H new ATOM 0 HG2 ARG A 163 14.130 2.136 11.055 1.00 1.41 H new ATOM 0 HG3 ARG A 163 14.987 1.788 9.566 1.00 1.41 H new ATOM 0 HD2 ARG A 163 15.222 4.469 10.974 1.00 1.67 H new ATOM 0 HD3 ARG A 163 16.248 3.109 11.385 1.00 1.67 H new ATOM 0 HE ARG A 163 17.095 3.136 9.046 1.00 2.39 H new ATOM 0 HH11 ARG A 163 15.316 6.110 9.876 1.00 4.62 H new ATOM 0 HH12 ARG A 163 16.330 7.076 8.800 1.00 4.62 H new ATOM 0 HH21 ARG A 163 18.394 4.499 7.834 1.00 5.05 H new ATOM 0 HH22 ARG A 163 17.980 6.212 7.705 1.00 5.05 H new ATOM 2576 N VAL A 164 10.502 4.248 8.877 1.00 1.06 N ATOM 2577 CA VAL A 164 9.434 4.687 7.950 1.00 0.97 C ATOM 2578 C VAL A 164 8.846 6.038 8.376 1.00 1.16 C ATOM 2579 O VAL A 164 8.700 6.928 7.545 1.00 1.24 O ATOM 2580 CB VAL A 164 8.325 3.611 7.807 1.00 0.89 C ATOM 2581 CG1 VAL A 164 7.093 4.098 7.026 1.00 0.91 C ATOM 2582 CG2 VAL A 164 8.870 2.351 7.114 1.00 1.08 C ATOM 0 H VAL A 164 10.322 3.332 9.287 1.00 1.06 H new ATOM 0 HA VAL A 164 9.890 4.819 6.969 1.00 0.97 H new ATOM 0 HB VAL A 164 8.010 3.387 8.826 1.00 0.89 H new ATOM 0 HG11 VAL A 164 6.359 3.294 6.965 1.00 0.91 H new ATOM 0 HG12 VAL A 164 6.652 4.953 7.538 1.00 0.91 H new ATOM 0 HG13 VAL A 164 7.393 4.392 6.020 1.00 0.91 H new ATOM 0 HG21 VAL A 164 8.074 1.611 7.025 1.00 1.08 H new ATOM 0 HG22 VAL A 164 9.236 2.611 6.121 1.00 1.08 H new ATOM 0 HG23 VAL A 164 9.687 1.936 7.704 1.00 1.08 H new ATOM 2592 N VAL A 165 8.594 6.216 9.679 1.00 1.09 N ATOM 2593 CA VAL A 165 8.148 7.490 10.272 1.00 1.19 C ATOM 2594 C VAL A 165 9.050 8.654 9.847 1.00 1.36 C ATOM 2595 O VAL A 165 8.551 9.681 9.392 1.00 1.56 O ATOM 2596 CB VAL A 165 8.122 7.395 11.817 1.00 1.24 C ATOM 2597 CG1 VAL A 165 7.912 8.745 12.531 1.00 1.36 C ATOM 2598 CG2 VAL A 165 7.005 6.454 12.276 1.00 1.51 C ATOM 0 H VAL A 165 8.695 5.468 10.365 1.00 1.09 H new ATOM 0 HA VAL A 165 7.140 7.681 9.905 1.00 1.19 H new ATOM 0 HB VAL A 165 9.108 7.020 12.090 1.00 1.24 H new ATOM 0 HG11 VAL A 165 7.907 8.589 13.610 1.00 1.36 H new ATOM 0 HG12 VAL A 165 8.721 9.426 12.267 1.00 1.36 H new ATOM 0 HG13 VAL A 165 6.960 9.176 12.222 1.00 1.36 H new ATOM 0 HG21 VAL A 165 7.000 6.398 13.365 1.00 1.51 H new ATOM 0 HG22 VAL A 165 6.044 6.833 11.928 1.00 1.51 H new ATOM 0 HG23 VAL A 165 7.174 5.460 11.863 1.00 1.51 H new ATOM 2608 N ALA A 166 10.370 8.516 9.987 1.00 1.30 N ATOM 2609 CA ALA A 166 11.330 9.573 9.656 1.00 1.42 C ATOM 2610 C ALA A 166 11.472 9.810 8.146 1.00 1.45 C ATOM 2611 O ALA A 166 11.565 10.961 7.726 1.00 1.60 O ATOM 2612 CB ALA A 166 12.674 9.185 10.287 1.00 1.59 C ATOM 0 H ALA A 166 10.806 7.662 10.335 1.00 1.30 H new ATOM 0 HA ALA A 166 10.968 10.520 10.057 1.00 1.42 H new ATOM 0 HB1 ALA A 166 13.416 9.951 10.061 1.00 1.59 H new ATOM 0 HB2 ALA A 166 12.558 9.100 11.367 1.00 1.59 H new ATOM 0 HB3 ALA A 166 13.004 8.229 9.881 1.00 1.59 H new ATOM 2618 N ASP A 167 11.475 8.744 7.343 1.00 1.13 N ATOM 2619 CA ASP A 167 11.557 8.811 5.880 1.00 1.07 C ATOM 2620 C ASP A 167 10.345 9.583 5.307 1.00 1.39 C ATOM 2621 O ASP A 167 10.508 10.521 4.528 1.00 1.36 O ATOM 2622 CB ASP A 167 11.641 7.359 5.365 1.00 1.16 C ATOM 2623 CG ASP A 167 12.580 7.137 4.173 1.00 1.40 C ATOM 2624 OD1 ASP A 167 12.482 7.922 3.207 1.00 2.26 O ATOM 2625 OD2 ASP A 167 13.379 6.159 4.223 1.00 2.11 O ATOM 0 H ASP A 167 11.419 7.789 7.698 1.00 1.13 H new ATOM 0 HA ASP A 167 12.439 9.359 5.550 1.00 1.07 H new ATOM 0 HB2 ASP A 167 11.965 6.719 6.185 1.00 1.16 H new ATOM 0 HB3 ASP A 167 10.640 7.033 5.083 1.00 1.16 H new ATOM 2630 N LEU A 168 9.132 9.288 5.802 1.00 1.05 N ATOM 2631 CA LEU A 168 7.884 9.988 5.435 1.00 1.17 C ATOM 2632 C LEU A 168 7.819 11.436 5.924 1.00 1.56 C ATOM 2633 O LEU A 168 7.112 12.254 5.342 1.00 1.75 O ATOM 2634 CB LEU A 168 6.671 9.253 6.029 1.00 1.32 C ATOM 2635 CG LEU A 168 6.404 7.846 5.459 1.00 1.35 C ATOM 2636 CD1 LEU A 168 5.346 7.163 6.334 1.00 1.57 C ATOM 2637 CD2 LEU A 168 5.929 7.905 4.005 1.00 1.79 C ATOM 0 H LEU A 168 8.985 8.542 6.482 1.00 1.05 H new ATOM 0 HA LEU A 168 7.869 9.994 4.345 1.00 1.17 H new ATOM 0 HB2 LEU A 168 6.811 9.169 7.107 1.00 1.32 H new ATOM 0 HB3 LEU A 168 5.783 9.865 5.870 1.00 1.32 H new ATOM 0 HG LEU A 168 7.334 7.277 5.470 1.00 1.35 H new ATOM 0 HD11 LEU A 168 5.143 6.165 5.947 1.00 1.57 H new ATOM 0 HD12 LEU A 168 5.714 7.087 7.357 1.00 1.57 H new ATOM 0 HD13 LEU A 168 4.428 7.751 6.321 1.00 1.57 H new ATOM 0 HD21 LEU A 168 5.751 6.894 3.639 1.00 1.79 H new ATOM 0 HD22 LEU A 168 5.004 8.479 3.947 1.00 1.79 H new ATOM 0 HD23 LEU A 168 6.692 8.384 3.392 1.00 1.79 H new ATOM 2649 N GLN A 169 8.524 11.758 7.008 1.00 1.26 N ATOM 2650 CA GLN A 169 8.598 13.114 7.548 1.00 1.43 C ATOM 2651 C GLN A 169 9.364 14.089 6.640 1.00 1.71 C ATOM 2652 O GLN A 169 9.176 15.293 6.775 1.00 1.78 O ATOM 2653 CB GLN A 169 9.136 13.072 8.994 1.00 1.61 C ATOM 2654 CG GLN A 169 7.987 12.873 10.001 1.00 1.96 C ATOM 2655 CD GLN A 169 8.326 13.202 11.460 1.00 1.87 C ATOM 2656 OE1 GLN A 169 7.482 13.668 12.207 1.00 2.61 O ATOM 2657 NE2 GLN A 169 9.534 12.996 11.947 1.00 1.75 N ATOM 0 H GLN A 169 9.065 11.077 7.541 1.00 1.26 H new ATOM 0 HA GLN A 169 7.587 13.521 7.578 1.00 1.43 H new ATOM 0 HB2 GLN A 169 9.858 12.262 9.095 1.00 1.61 H new ATOM 0 HB3 GLN A 169 9.664 13.999 9.217 1.00 1.61 H new ATOM 0 HG2 GLN A 169 7.145 13.493 9.693 1.00 1.96 H new ATOM 0 HG3 GLN A 169 7.656 11.836 9.948 1.00 1.96 H new ATOM 0 HE21 GLN A 169 10.265 12.607 11.351 1.00 1.75 H new ATOM 0 HE22 GLN A 169 9.738 13.225 12.920 1.00 1.75 H new ATOM 2666 N ALA A 170 10.178 13.609 5.694 1.00 1.51 N ATOM 2667 CA ALA A 170 10.666 14.409 4.564 1.00 1.71 C ATOM 2668 C ALA A 170 9.619 14.687 3.457 1.00 1.86 C ATOM 2669 O ALA A 170 9.878 15.506 2.573 1.00 2.11 O ATOM 2670 CB ALA A 170 11.890 13.699 3.984 1.00 1.80 C ATOM 0 H ALA A 170 10.520 12.648 5.690 1.00 1.51 H new ATOM 0 HA ALA A 170 10.914 15.398 4.950 1.00 1.71 H new ATOM 0 HB1 ALA A 170 12.276 14.271 3.140 1.00 1.80 H new ATOM 0 HB2 ALA A 170 12.661 13.618 4.751 1.00 1.80 H new ATOM 0 HB3 ALA A 170 11.607 12.702 3.647 1.00 1.80 H new ATOM 2676 N LEU A 171 8.513 13.936 3.418 1.00 1.60 N ATOM 2677 CA LEU A 171 7.628 13.810 2.243 1.00 1.52 C ATOM 2678 C LEU A 171 6.220 14.389 2.466 1.00 1.88 C ATOM 2679 O LEU A 171 5.324 14.134 1.660 1.00 2.11 O ATOM 2680 CB LEU A 171 7.574 12.322 1.837 1.00 1.35 C ATOM 2681 CG LEU A 171 8.953 11.677 1.577 1.00 1.31 C ATOM 2682 CD1 LEU A 171 8.766 10.184 1.300 1.00 1.47 C ATOM 2683 CD2 LEU A 171 9.697 12.324 0.398 1.00 1.74 C ATOM 0 H LEU A 171 8.197 13.385 4.216 1.00 1.60 H new ATOM 0 HA LEU A 171 8.046 14.409 1.434 1.00 1.52 H new ATOM 0 HB2 LEU A 171 7.068 11.762 2.624 1.00 1.35 H new ATOM 0 HB3 LEU A 171 6.967 12.226 0.937 1.00 1.35 H new ATOM 0 HG LEU A 171 9.560 11.834 2.469 1.00 1.31 H new ATOM 0 HD11 LEU A 171 9.737 9.724 1.116 1.00 1.47 H new ATOM 0 HD12 LEU A 171 8.297 9.710 2.162 1.00 1.47 H new ATOM 0 HD13 LEU A 171 8.130 10.053 0.424 1.00 1.47 H new ATOM 0 HD21 LEU A 171 10.660 11.831 0.261 1.00 1.74 H new ATOM 0 HD22 LEU A 171 9.103 12.218 -0.509 1.00 1.74 H new ATOM 0 HD23 LEU A 171 9.857 13.382 0.605 1.00 1.74 H new ATOM 2695 N LEU A 172 6.053 15.125 3.571 1.00 1.76 N ATOM 2696 CA LEU A 172 4.823 15.756 4.105 1.00 1.83 C ATOM 2697 C LEU A 172 4.095 16.777 3.204 1.00 2.28 C ATOM 2698 O LEU A 172 4.662 17.350 2.253 1.00 2.54 O ATOM 2699 CB LEU A 172 5.183 16.379 5.478 1.00 1.99 C ATOM 2700 CG LEU A 172 5.696 15.403 6.546 1.00 1.70 C ATOM 2701 CD1 LEU A 172 5.992 16.176 7.829 1.00 2.06 C ATOM 2702 CD2 LEU A 172 4.697 14.289 6.864 1.00 2.16 C ATOM 2703 OXT LEU A 172 2.885 16.979 3.462 1.00 3.33 O ATOM 0 H LEU A 172 6.849 15.317 4.179 1.00 1.76 H new ATOM 0 HA LEU A 172 4.084 14.958 4.178 1.00 1.83 H new ATOM 0 HB2 LEU A 172 5.942 17.145 5.319 1.00 1.99 H new ATOM 0 HB3 LEU A 172 4.299 16.883 5.869 1.00 1.99 H new ATOM 0 HG LEU A 172 6.595 14.934 6.147 1.00 1.70 H new ATOM 0 HD11 LEU A 172 6.357 15.488 8.592 1.00 2.06 H new ATOM 0 HD12 LEU A 172 6.750 16.934 7.631 1.00 2.06 H new ATOM 0 HD13 LEU A 172 5.080 16.659 8.182 1.00 2.06 H new ATOM 0 HD21 LEU A 172 5.116 13.631 7.625 1.00 2.16 H new ATOM 0 HD22 LEU A 172 3.769 14.727 7.233 1.00 2.16 H new ATOM 0 HD23 LEU A 172 4.493 13.714 5.960 1.00 2.16 H new