USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot 180:sc= 0.037 USER MOD Set 1.2: A 157 LYS NZ :NH3+ 166:sc= 0.958 (180deg=0.921) USER MOD Set 2.1: A 47 CYS SG : rot 63:sc= -1.65 USER MOD Set 2.2: A 137 HIS : no HE2:sc= 0.946 K(o=-0.7,f=-5.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0925 K(o=-0.092,f=-2.4!) USER MOD Single : A 15 LYS NZ :NH3+ 141:sc= 0.82 (180deg=-2.02!) USER MOD Single : A 25 GLN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.078) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 45 THR OG1 : rot -110:sc= 1.23 USER MOD Single : A 51 CYS SG : rot 180:sc= 0.533 USER MOD Single : A 53 THR OG1 : rot 163:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 34:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 1.03 (180deg=0.999) USER MOD Single : A 62 TYR OH : rot 148:sc= 1.27 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0.757 (180deg=0.52) USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= 0.509 (180deg=-0.607) USER MOD Single : A 70 GLN : amide:sc= -0.056 K(o=-0.056,f=-3.3!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 79 SER OG : rot -89:sc= 1.25 USER MOD Single : A 93 TYR OH : rot 30:sc= -0.03 USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= 0.131 (180deg=-0.557) USER MOD Single : A 98 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-5!) USER MOD Single : A 100 SER OG : rot 140:sc= 0 USER MOD Single : A 105 SER OG : rot -167:sc= 1.22 USER MOD Single : A 107 SER OG : rot -101:sc= 1.36 USER MOD Single : A 116 GLN : amide:sc= -0.557 K(o=-0.56,f=-3.7!) USER MOD Single : A 117 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 146:sc= 2.06 (180deg=0.231!) USER MOD Single : A 138 THR OG1 : rot 90:sc= 1.03 USER MOD Single : A 140 THR OG1 : rot 180:sc=-0.00969 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -148:sc= 2.08 (180deg=0.719) USER MOD Single : A 153 TYR OH : rot -31:sc= 0.919 USER MOD Single : A 154 SER OG : rot -119:sc= 0.991 USER MOD Single : A 161 THR OG1 : rot -61:sc= 0.509 USER MOD Single : A 169 GLN : amide:sc= -0.0917 K(o=-0.092,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.572 4.740 4.566 1.00 1.32 N ATOM 90 CA TYR A 7 15.884 3.331 4.306 1.00 1.24 C ATOM 91 C TYR A 7 15.247 2.795 3.009 1.00 1.26 C ATOM 92 O TYR A 7 15.711 1.784 2.468 1.00 1.39 O ATOM 93 CB TYR A 7 15.481 2.508 5.545 1.00 1.57 C ATOM 94 CG TYR A 7 15.820 1.024 5.548 1.00 1.41 C ATOM 95 CD1 TYR A 7 17.059 0.550 5.061 1.00 2.58 C ATOM 96 CD2 TYR A 7 14.903 0.111 6.106 1.00 2.19 C ATOM 97 CE1 TYR A 7 17.367 -0.824 5.109 1.00 3.20 C ATOM 98 CE2 TYR A 7 15.219 -1.257 6.188 1.00 2.37 C ATOM 99 CZ TYR A 7 16.444 -1.734 5.679 1.00 2.54 C ATOM 100 OH TYR A 7 16.719 -3.065 5.736 1.00 3.36 O ATOM 0 HA TYR A 7 16.957 3.235 4.137 1.00 1.24 H new ATOM 0 HB2 TYR A 7 15.952 2.962 6.417 1.00 1.57 H new ATOM 0 HB3 TYR A 7 14.404 2.606 5.677 1.00 1.57 H new ATOM 0 HD1 TYR A 7 17.775 1.246 4.649 1.00 2.58 H new ATOM 0 HD2 TYR A 7 13.951 0.464 6.473 1.00 2.19 H new ATOM 0 HE1 TYR A 7 18.305 -1.182 4.712 1.00 3.20 H new ATOM 0 HE2 TYR A 7 14.521 -1.944 6.642 1.00 2.37 H new ATOM 0 HH TYR A 7 15.972 -3.536 6.161 1.00 3.36 H new ATOM 110 N GLY A 8 14.227 3.456 2.448 1.00 0.92 N ATOM 111 CA GLY A 8 13.655 3.105 1.151 1.00 0.84 C ATOM 112 C GLY A 8 14.639 3.337 0.002 1.00 0.95 C ATOM 113 O GLY A 8 15.731 3.882 0.171 1.00 1.28 O ATOM 0 H GLY A 8 13.774 4.256 2.889 1.00 0.92 H new ATOM 0 HA2 GLY A 8 13.352 2.058 1.161 1.00 0.84 H new ATOM 0 HA3 GLY A 8 12.755 3.696 0.981 1.00 0.84 H new ATOM 117 N THR A 9 14.263 2.888 -1.193 1.00 0.83 N ATOM 118 CA THR A 9 15.062 3.074 -2.411 1.00 0.96 C ATOM 119 C THR A 9 14.611 4.381 -3.039 1.00 1.14 C ATOM 120 O THR A 9 13.461 4.494 -3.469 1.00 1.05 O ATOM 121 CB THR A 9 14.908 1.897 -3.371 1.00 1.15 C ATOM 122 OG1 THR A 9 15.077 0.690 -2.660 1.00 1.31 O ATOM 123 CG2 THR A 9 15.949 1.940 -4.488 1.00 1.34 C ATOM 0 H THR A 9 13.391 2.382 -1.349 1.00 0.83 H new ATOM 0 HA THR A 9 16.124 3.116 -2.171 1.00 0.96 H new ATOM 0 HB THR A 9 13.914 1.959 -3.813 1.00 1.15 H new ATOM 0 HG1 THR A 9 14.977 -0.068 -3.273 1.00 1.31 H new ATOM 0 HG21 THR A 9 15.807 1.086 -5.151 1.00 1.34 H new ATOM 0 HG22 THR A 9 15.835 2.863 -5.056 1.00 1.34 H new ATOM 0 HG23 THR A 9 16.949 1.901 -4.055 1.00 1.34 H new ATOM 131 N ARG A 10 15.484 5.391 -2.999 1.00 1.13 N ATOM 132 CA ARG A 10 15.098 6.772 -3.280 1.00 1.10 C ATOM 133 C ARG A 10 15.145 7.121 -4.770 1.00 1.44 C ATOM 134 O ARG A 10 16.098 6.796 -5.476 1.00 1.69 O ATOM 135 CB ARG A 10 15.881 7.745 -2.384 1.00 1.16 C ATOM 136 CG ARG A 10 15.340 9.172 -2.544 1.00 1.42 C ATOM 137 CD ARG A 10 15.784 10.132 -1.435 1.00 1.87 C ATOM 138 NE ARG A 10 15.378 11.508 -1.774 1.00 2.09 N ATOM 139 CZ ARG A 10 14.377 12.221 -1.261 1.00 2.77 C ATOM 140 NH1 ARG A 10 13.627 11.812 -0.259 1.00 3.78 N ATOM 141 NH2 ARG A 10 14.094 13.396 -1.787 1.00 3.31 N ATOM 0 H ARG A 10 16.472 5.274 -2.772 1.00 1.13 H new ATOM 0 HA ARG A 10 14.045 6.882 -3.021 1.00 1.10 H new ATOM 0 HB2 ARG A 10 15.802 7.434 -1.342 1.00 1.16 H new ATOM 0 HB3 ARG A 10 16.939 7.719 -2.645 1.00 1.16 H new ATOM 0 HG2 ARG A 10 15.666 9.568 -3.506 1.00 1.42 H new ATOM 0 HG3 ARG A 10 14.251 9.137 -2.566 1.00 1.42 H new ATOM 0 HD2 ARG A 10 15.339 9.835 -0.485 1.00 1.87 H new ATOM 0 HD3 ARG A 10 16.866 10.082 -1.310 1.00 1.87 H new ATOM 0 HE ARG A 10 15.934 11.973 -2.492 1.00 2.09 H new ATOM 0 HH11 ARG A 10 13.799 10.902 0.169 1.00 3.78 H new ATOM 0 HH12 ARG A 10 12.874 12.405 0.090 1.00 3.78 H new ATOM 0 HH21 ARG A 10 14.639 13.746 -2.575 1.00 3.31 H new ATOM 0 HH22 ARG A 10 13.330 13.955 -1.406 1.00 3.31 H new ATOM 155 N LEU A 11 14.095 7.806 -5.227 1.00 0.99 N ATOM 156 CA LEU A 11 13.941 8.283 -6.602 1.00 1.00 C ATOM 157 C LEU A 11 14.533 9.693 -6.759 1.00 1.51 C ATOM 158 O LEU A 11 14.655 10.437 -5.783 1.00 2.12 O ATOM 159 CB LEU A 11 12.447 8.236 -6.993 1.00 0.89 C ATOM 160 CG LEU A 11 11.766 6.859 -6.811 1.00 0.92 C ATOM 161 CD1 LEU A 11 10.305 6.942 -7.267 1.00 0.96 C ATOM 162 CD2 LEU A 11 12.479 5.736 -7.580 1.00 1.07 C ATOM 0 H LEU A 11 13.304 8.051 -4.632 1.00 0.99 H new ATOM 0 HA LEU A 11 14.494 7.632 -7.280 1.00 1.00 H new ATOM 0 HB2 LEU A 11 11.908 8.973 -6.397 1.00 0.89 H new ATOM 0 HB3 LEU A 11 12.350 8.537 -8.036 1.00 0.89 H new ATOM 0 HG LEU A 11 11.823 6.612 -5.751 1.00 0.92 H new ATOM 0 HD11 LEU A 11 9.828 5.971 -7.138 1.00 0.96 H new ATOM 0 HD12 LEU A 11 9.779 7.687 -6.670 1.00 0.96 H new ATOM 0 HD13 LEU A 11 10.268 7.228 -8.318 1.00 0.96 H new ATOM 0 HD21 LEU A 11 11.957 4.794 -7.415 1.00 1.07 H new ATOM 0 HD22 LEU A 11 12.480 5.968 -8.645 1.00 1.07 H new ATOM 0 HD23 LEU A 11 13.506 5.648 -7.226 1.00 1.07 H new ATOM 174 N LEU A 12 14.904 10.048 -7.994 1.00 1.21 N ATOM 175 CA LEU A 12 15.425 11.374 -8.357 1.00 1.35 C ATOM 176 C LEU A 12 14.348 12.197 -9.075 1.00 1.69 C ATOM 177 O LEU A 12 13.902 13.209 -8.546 1.00 2.12 O ATOM 178 CB LEU A 12 16.706 11.226 -9.205 1.00 1.62 C ATOM 179 CG LEU A 12 17.990 10.990 -8.376 1.00 1.80 C ATOM 180 CD1 LEU A 12 18.052 9.611 -7.699 1.00 2.75 C ATOM 181 CD2 LEU A 12 19.203 11.155 -9.296 1.00 3.15 C ATOM 0 H LEU A 12 14.850 9.409 -8.787 1.00 1.21 H new ATOM 0 HA LEU A 12 15.692 11.917 -7.450 1.00 1.35 H new ATOM 0 HB2 LEU A 12 16.576 10.394 -9.898 1.00 1.62 H new ATOM 0 HB3 LEU A 12 16.836 12.125 -9.807 1.00 1.62 H new ATOM 0 HG LEU A 12 17.987 11.725 -7.571 1.00 1.80 H new ATOM 0 HD11 LEU A 12 18.982 9.523 -7.137 1.00 2.75 H new ATOM 0 HD12 LEU A 12 17.206 9.500 -7.020 1.00 2.75 H new ATOM 0 HD13 LEU A 12 18.012 8.831 -8.459 1.00 2.75 H new ATOM 0 HD21 LEU A 12 20.117 10.991 -8.725 1.00 3.15 H new ATOM 0 HD22 LEU A 12 19.146 10.429 -10.107 1.00 3.15 H new ATOM 0 HD23 LEU A 12 19.210 12.163 -9.712 1.00 3.15 H new ATOM 193 N ASN A 13 13.899 11.745 -10.253 1.00 1.47 N ATOM 194 CA ASN A 13 12.785 12.339 -11.000 1.00 1.60 C ATOM 195 C ASN A 13 11.469 11.602 -10.633 1.00 1.45 C ATOM 196 O ASN A 13 11.338 10.424 -10.983 1.00 1.54 O ATOM 197 CB ASN A 13 13.128 12.264 -12.502 1.00 1.96 C ATOM 198 CG ASN A 13 12.170 13.066 -13.380 1.00 2.82 C ATOM 199 OD1 ASN A 13 11.062 13.397 -12.991 1.00 3.68 O ATOM 200 ND2 ASN A 13 12.580 13.416 -14.588 1.00 3.45 N ATOM 0 H ASN A 13 14.310 10.938 -10.723 1.00 1.47 H new ATOM 0 HA ASN A 13 12.634 13.387 -10.742 1.00 1.60 H new ATOM 0 HB2 ASN A 13 14.143 12.630 -12.655 1.00 1.96 H new ATOM 0 HB3 ASN A 13 13.114 11.221 -12.819 1.00 1.96 H new ATOM 0 HD21 ASN A 13 11.970 13.963 -15.195 1.00 3.45 H new ATOM 0 HD22 ASN A 13 13.506 13.139 -14.912 1.00 3.45 H new ATOM 207 N PRO A 14 10.535 12.220 -9.876 1.00 1.26 N ATOM 208 CA PRO A 14 9.400 11.519 -9.273 1.00 1.08 C ATOM 209 C PRO A 14 8.223 11.386 -10.248 1.00 1.19 C ATOM 210 O PRO A 14 7.774 12.353 -10.862 1.00 1.37 O ATOM 211 CB PRO A 14 9.037 12.341 -8.039 1.00 1.18 C ATOM 212 CG PRO A 14 9.384 13.770 -8.465 1.00 1.32 C ATOM 213 CD PRO A 14 10.613 13.577 -9.350 1.00 1.42 C ATOM 0 HA PRO A 14 9.653 10.492 -9.009 1.00 1.08 H new ATOM 0 HB2 PRO A 14 7.982 12.241 -7.783 1.00 1.18 H new ATOM 0 HB3 PRO A 14 9.608 12.030 -7.164 1.00 1.18 H new ATOM 0 HG2 PRO A 14 8.564 14.239 -9.010 1.00 1.32 H new ATOM 0 HG3 PRO A 14 9.601 14.405 -7.606 1.00 1.32 H new ATOM 0 HD2 PRO A 14 10.627 14.307 -10.160 1.00 1.42 H new ATOM 0 HD3 PRO A 14 11.530 13.719 -8.777 1.00 1.42 H new ATOM 221 N LYS A 15 7.705 10.162 -10.391 1.00 0.81 N ATOM 222 CA LYS A 15 6.792 9.813 -11.484 1.00 0.84 C ATOM 223 C LYS A 15 5.305 9.978 -11.081 1.00 1.09 C ATOM 224 O LYS A 15 4.882 9.353 -10.103 1.00 1.18 O ATOM 225 CB LYS A 15 7.162 8.400 -11.971 1.00 0.95 C ATOM 226 CG LYS A 15 6.481 7.954 -13.276 1.00 1.30 C ATOM 227 CD LYS A 15 5.148 7.221 -13.068 1.00 2.12 C ATOM 228 CE LYS A 15 5.339 5.720 -12.821 1.00 1.95 C ATOM 229 NZ LYS A 15 4.034 5.060 -12.593 1.00 2.92 N ATOM 0 H LYS A 15 7.905 9.389 -9.756 1.00 0.81 H new ATOM 0 HA LYS A 15 6.909 10.506 -12.317 1.00 0.84 H new ATOM 0 HB2 LYS A 15 8.242 8.353 -12.110 1.00 0.95 H new ATOM 0 HB3 LYS A 15 6.910 7.686 -11.187 1.00 0.95 H new ATOM 0 HG2 LYS A 15 6.308 8.830 -13.901 1.00 1.30 H new ATOM 0 HG3 LYS A 15 7.161 7.301 -13.823 1.00 1.30 H new ATOM 0 HD2 LYS A 15 4.622 7.662 -12.221 1.00 2.12 H new ATOM 0 HD3 LYS A 15 4.517 7.365 -13.945 1.00 2.12 H new ATOM 0 HE2 LYS A 15 5.838 5.266 -13.677 1.00 1.95 H new ATOM 0 HE3 LYS A 15 5.986 5.567 -11.957 1.00 1.95 H new ATOM 0 HZ1 LYS A 15 4.030 4.130 -13.058 1.00 2.92 H new ATOM 0 HZ2 LYS A 15 3.881 4.937 -11.572 1.00 2.92 H new ATOM 0 HZ3 LYS A 15 3.273 5.649 -12.989 1.00 2.92 H new ATOM 243 N PRO A 16 4.498 10.768 -11.818 1.00 0.82 N ATOM 244 CA PRO A 16 3.094 11.024 -11.498 1.00 0.91 C ATOM 245 C PRO A 16 2.249 9.769 -11.750 1.00 1.08 C ATOM 246 O PRO A 16 2.560 8.985 -12.646 1.00 0.94 O ATOM 247 CB PRO A 16 2.679 12.212 -12.368 1.00 1.11 C ATOM 248 CG PRO A 16 3.596 12.109 -13.585 1.00 1.10 C ATOM 249 CD PRO A 16 4.871 11.460 -13.041 1.00 0.94 C ATOM 0 HA PRO A 16 2.942 11.264 -10.446 1.00 0.91 H new ATOM 0 HB2 PRO A 16 1.628 12.152 -12.652 1.00 1.11 H new ATOM 0 HB3 PRO A 16 2.814 13.158 -11.844 1.00 1.11 H new ATOM 0 HG2 PRO A 16 3.146 11.504 -14.372 1.00 1.10 H new ATOM 0 HG3 PRO A 16 3.800 13.090 -14.014 1.00 1.10 H new ATOM 0 HD2 PRO A 16 5.291 10.764 -13.767 1.00 0.94 H new ATOM 0 HD3 PRO A 16 5.634 12.213 -12.843 1.00 0.94 H new ATOM 257 N VAL A 17 1.199 9.567 -10.949 1.00 0.69 N ATOM 258 CA VAL A 17 0.412 8.326 -10.880 1.00 0.66 C ATOM 259 C VAL A 17 -1.045 8.601 -10.508 1.00 1.15 C ATOM 260 O VAL A 17 -1.334 9.477 -9.694 1.00 1.26 O ATOM 261 CB VAL A 17 0.976 7.317 -9.844 1.00 0.71 C ATOM 262 CG1 VAL A 17 2.182 6.550 -10.406 1.00 0.79 C ATOM 263 CG2 VAL A 17 1.363 7.939 -8.487 1.00 0.90 C ATOM 0 H VAL A 17 0.860 10.285 -10.308 1.00 0.69 H new ATOM 0 HA VAL A 17 0.475 7.894 -11.879 1.00 0.66 H new ATOM 0 HB VAL A 17 0.147 6.635 -9.655 1.00 0.71 H new ATOM 0 HG11 VAL A 17 2.552 5.852 -9.655 1.00 0.79 H new ATOM 0 HG12 VAL A 17 1.880 5.998 -11.296 1.00 0.79 H new ATOM 0 HG13 VAL A 17 2.972 7.254 -10.667 1.00 0.79 H new ATOM 0 HG21 VAL A 17 1.747 7.161 -7.827 1.00 0.90 H new ATOM 0 HG22 VAL A 17 2.131 8.697 -8.640 1.00 0.90 H new ATOM 0 HG23 VAL A 17 0.485 8.399 -8.034 1.00 0.90 H new ATOM 273 N ASP A 18 -1.933 7.778 -11.064 1.00 0.65 N ATOM 274 CA ASP A 18 -3.308 7.578 -10.607 1.00 0.64 C ATOM 275 C ASP A 18 -3.753 6.152 -10.953 1.00 0.85 C ATOM 276 O ASP A 18 -3.121 5.474 -11.766 1.00 1.30 O ATOM 277 CB ASP A 18 -4.259 8.650 -11.183 1.00 0.80 C ATOM 278 CG ASP A 18 -5.697 8.603 -10.626 1.00 1.24 C ATOM 279 OD1 ASP A 18 -5.914 8.157 -9.477 1.00 2.32 O ATOM 280 OD2 ASP A 18 -6.630 9.016 -11.350 1.00 1.82 O ATOM 0 H ASP A 18 -1.705 7.209 -11.879 1.00 0.65 H new ATOM 0 HA ASP A 18 -3.349 7.696 -9.524 1.00 0.64 H new ATOM 0 HB2 ASP A 18 -3.838 9.635 -10.982 1.00 0.80 H new ATOM 0 HB3 ASP A 18 -4.300 8.536 -12.266 1.00 0.80 H new ATOM 285 N PHE A 19 -4.840 5.685 -10.342 1.00 0.63 N ATOM 286 CA PHE A 19 -5.486 4.404 -10.625 1.00 0.66 C ATOM 287 C PHE A 19 -6.992 4.460 -10.335 1.00 1.51 C ATOM 288 O PHE A 19 -7.495 5.439 -9.792 1.00 1.73 O ATOM 289 CB PHE A 19 -4.786 3.266 -9.856 1.00 0.77 C ATOM 290 CG PHE A 19 -4.772 3.342 -8.334 1.00 0.92 C ATOM 291 CD1 PHE A 19 -5.952 3.166 -7.580 1.00 2.10 C ATOM 292 CD2 PHE A 19 -3.550 3.514 -7.656 1.00 2.32 C ATOM 293 CE1 PHE A 19 -5.911 3.186 -6.175 1.00 1.96 C ATOM 294 CE2 PHE A 19 -3.508 3.521 -6.250 1.00 2.47 C ATOM 295 CZ PHE A 19 -4.689 3.361 -5.509 1.00 1.25 C ATOM 0 H PHE A 19 -5.314 6.209 -9.607 1.00 0.63 H new ATOM 0 HA PHE A 19 -5.383 4.193 -11.689 1.00 0.66 H new ATOM 0 HB2 PHE A 19 -5.262 2.327 -10.140 1.00 0.77 H new ATOM 0 HB3 PHE A 19 -3.752 3.216 -10.199 1.00 0.77 H new ATOM 0 HD1 PHE A 19 -6.894 3.015 -8.086 1.00 2.10 H new ATOM 0 HD2 PHE A 19 -2.638 3.642 -8.220 1.00 2.32 H new ATOM 0 HE1 PHE A 19 -6.822 3.066 -5.607 1.00 1.96 H new ATOM 0 HE2 PHE A 19 -2.565 3.650 -5.740 1.00 2.47 H new ATOM 0 HZ PHE A 19 -4.657 3.373 -4.430 1.00 1.25 H new ATOM 305 N ALA A 20 -7.710 3.382 -10.662 1.00 0.71 N ATOM 306 CA ALA A 20 -9.091 3.145 -10.247 1.00 0.71 C ATOM 307 C ALA A 20 -9.203 1.737 -9.640 1.00 0.90 C ATOM 308 O ALA A 20 -9.040 0.745 -10.348 1.00 0.97 O ATOM 309 CB ALA A 20 -10.006 3.335 -11.465 1.00 0.82 C ATOM 0 H ALA A 20 -7.334 2.630 -11.239 1.00 0.71 H new ATOM 0 HA ALA A 20 -9.402 3.854 -9.479 1.00 0.71 H new ATOM 0 HB1 ALA A 20 -11.042 3.162 -11.173 1.00 0.82 H new ATOM 0 HB2 ALA A 20 -9.901 4.352 -11.844 1.00 0.82 H new ATOM 0 HB3 ALA A 20 -9.726 2.627 -12.245 1.00 0.82 H new ATOM 315 N LEU A 21 -9.467 1.675 -8.333 1.00 0.77 N ATOM 316 CA LEU A 21 -9.741 0.465 -7.560 1.00 0.79 C ATOM 317 C LEU A 21 -11.120 0.577 -6.888 1.00 0.99 C ATOM 318 O LEU A 21 -11.787 1.603 -7.007 1.00 1.07 O ATOM 319 CB LEU A 21 -8.635 0.270 -6.500 1.00 0.80 C ATOM 320 CG LEU A 21 -7.861 -1.058 -6.546 1.00 0.98 C ATOM 321 CD1 LEU A 21 -8.756 -2.308 -6.471 1.00 1.24 C ATOM 322 CD2 LEU A 21 -6.957 -1.123 -7.778 1.00 1.21 C ATOM 0 H LEU A 21 -9.497 2.515 -7.755 1.00 0.77 H new ATOM 0 HA LEU A 21 -9.749 -0.400 -8.224 1.00 0.79 H new ATOM 0 HB2 LEU A 21 -7.919 1.085 -6.602 1.00 0.80 H new ATOM 0 HB3 LEU A 21 -9.089 0.366 -5.513 1.00 0.80 H new ATOM 0 HG LEU A 21 -7.249 -1.069 -5.644 1.00 0.98 H new ATOM 0 HD11 LEU A 21 -8.135 -3.203 -6.509 1.00 1.24 H new ATOM 0 HD12 LEU A 21 -9.319 -2.297 -5.538 1.00 1.24 H new ATOM 0 HD13 LEU A 21 -9.449 -2.311 -7.313 1.00 1.24 H new ATOM 0 HD21 LEU A 21 -6.421 -2.072 -7.786 1.00 1.21 H new ATOM 0 HD22 LEU A 21 -7.564 -1.041 -8.680 1.00 1.21 H new ATOM 0 HD23 LEU A 21 -6.241 -0.302 -7.747 1.00 1.21 H new ATOM 334 N GLU A 22 -11.527 -0.459 -6.161 1.00 0.99 N ATOM 335 CA GLU A 22 -12.868 -0.619 -5.606 1.00 0.86 C ATOM 336 C GLU A 22 -12.803 -0.930 -4.110 1.00 1.18 C ATOM 337 O GLU A 22 -12.041 -1.800 -3.696 1.00 1.39 O ATOM 338 CB GLU A 22 -13.529 -1.754 -6.393 1.00 0.93 C ATOM 339 CG GLU A 22 -15.005 -1.982 -6.063 1.00 1.62 C ATOM 340 CD GLU A 22 -15.786 -2.317 -7.334 1.00 2.06 C ATOM 341 OE1 GLU A 22 -15.338 -3.219 -8.090 1.00 2.67 O ATOM 342 OE2 GLU A 22 -16.791 -1.606 -7.563 1.00 3.02 O ATOM 0 H GLU A 22 -10.910 -1.239 -5.934 1.00 0.99 H new ATOM 0 HA GLU A 22 -13.449 0.298 -5.698 1.00 0.86 H new ATOM 0 HB2 GLU A 22 -13.437 -1.542 -7.458 1.00 0.93 H new ATOM 0 HB3 GLU A 22 -12.981 -2.677 -6.204 1.00 0.93 H new ATOM 0 HG2 GLU A 22 -15.103 -2.795 -5.343 1.00 1.62 H new ATOM 0 HG3 GLU A 22 -15.422 -1.090 -5.596 1.00 1.62 H new ATOM 349 N GLY A 23 -13.585 -0.211 -3.299 1.00 0.82 N ATOM 350 CA GLY A 23 -13.789 -0.491 -1.872 1.00 0.76 C ATOM 351 C GLY A 23 -15.232 -0.920 -1.579 1.00 0.75 C ATOM 352 O GLY A 23 -16.075 -0.885 -2.480 1.00 0.88 O ATOM 0 H GLY A 23 -14.107 0.603 -3.624 1.00 0.82 H new ATOM 0 HA2 GLY A 23 -13.104 -1.277 -1.554 1.00 0.76 H new ATOM 0 HA3 GLY A 23 -13.548 0.398 -1.289 1.00 0.76 H new ATOM 356 N PRO A 24 -15.581 -1.243 -0.317 1.00 0.64 N ATOM 357 CA PRO A 24 -16.934 -1.644 0.103 1.00 0.75 C ATOM 358 C PRO A 24 -17.950 -0.474 0.115 1.00 1.01 C ATOM 359 O PRO A 24 -18.942 -0.510 0.839 1.00 1.06 O ATOM 360 CB PRO A 24 -16.736 -2.270 1.487 1.00 0.93 C ATOM 361 CG PRO A 24 -15.589 -1.445 2.054 1.00 0.94 C ATOM 362 CD PRO A 24 -14.684 -1.270 0.832 1.00 0.75 C ATOM 0 HA PRO A 24 -17.378 -2.344 -0.605 1.00 0.75 H new ATOM 0 HB2 PRO A 24 -17.634 -2.194 2.100 1.00 0.93 H new ATOM 0 HB3 PRO A 24 -16.483 -3.328 1.422 1.00 0.93 H new ATOM 0 HG2 PRO A 24 -15.931 -0.488 2.448 1.00 0.94 H new ATOM 0 HG3 PRO A 24 -15.079 -1.961 2.868 1.00 0.94 H new ATOM 0 HD2 PRO A 24 -14.106 -0.348 0.900 1.00 0.75 H new ATOM 0 HD3 PRO A 24 -13.969 -2.089 0.753 1.00 0.75 H new ATOM 370 N GLN A 25 -17.714 0.573 -0.676 1.00 0.88 N ATOM 371 CA GLN A 25 -18.551 1.769 -0.753 1.00 1.02 C ATOM 372 C GLN A 25 -18.528 2.405 -2.156 1.00 1.25 C ATOM 373 O GLN A 25 -18.849 3.586 -2.296 1.00 1.58 O ATOM 374 CB GLN A 25 -18.131 2.754 0.355 1.00 1.15 C ATOM 375 CG GLN A 25 -16.740 3.390 0.132 1.00 2.79 C ATOM 376 CD GLN A 25 -16.781 4.916 0.206 1.00 3.48 C ATOM 377 OE1 GLN A 25 -16.137 5.536 1.033 1.00 3.80 O ATOM 378 NE2 GLN A 25 -17.554 5.577 -0.632 1.00 4.57 N ATOM 0 H GLN A 25 -16.909 0.612 -1.301 1.00 0.88 H new ATOM 0 HA GLN A 25 -19.590 1.486 -0.585 1.00 1.02 H new ATOM 0 HB2 GLN A 25 -18.876 3.547 0.424 1.00 1.15 H new ATOM 0 HB3 GLN A 25 -18.132 2.232 1.312 1.00 1.15 H new ATOM 0 HG2 GLN A 25 -16.045 3.011 0.881 1.00 2.79 H new ATOM 0 HG3 GLN A 25 -16.356 3.086 -0.842 1.00 2.79 H new ATOM 0 HE21 GLN A 25 -18.099 5.071 -1.330 1.00 4.57 H new ATOM 0 HE22 GLN A 25 -17.607 6.594 -0.583 1.00 4.57 H new ATOM 387 N GLY A 26 -18.110 1.641 -3.178 1.00 1.05 N ATOM 388 CA GLY A 26 -17.924 2.107 -4.556 1.00 1.18 C ATOM 389 C GLY A 26 -16.446 2.242 -4.962 1.00 1.13 C ATOM 390 O GLY A 26 -15.547 1.922 -4.175 1.00 1.21 O ATOM 0 H GLY A 26 -17.886 0.653 -3.062 1.00 1.05 H new ATOM 0 HA2 GLY A 26 -18.418 1.413 -5.236 1.00 1.18 H new ATOM 0 HA3 GLY A 26 -18.415 3.073 -4.674 1.00 1.18 H new ATOM 394 N PRO A 27 -16.183 2.697 -6.203 1.00 1.03 N ATOM 395 CA PRO A 27 -14.840 2.885 -6.741 1.00 1.10 C ATOM 396 C PRO A 27 -14.121 4.087 -6.111 1.00 1.19 C ATOM 397 O PRO A 27 -14.741 5.085 -5.749 1.00 1.07 O ATOM 398 CB PRO A 27 -15.020 3.049 -8.252 1.00 1.17 C ATOM 399 CG PRO A 27 -16.416 3.657 -8.372 1.00 1.15 C ATOM 400 CD PRO A 27 -17.180 2.997 -7.224 1.00 1.13 C ATOM 0 HA PRO A 27 -14.202 2.033 -6.508 1.00 1.10 H new ATOM 0 HB2 PRO A 27 -14.258 3.701 -8.680 1.00 1.17 H new ATOM 0 HB3 PRO A 27 -14.951 2.094 -8.772 1.00 1.17 H new ATOM 0 HG2 PRO A 27 -16.393 4.742 -8.270 1.00 1.15 H new ATOM 0 HG3 PRO A 27 -16.870 3.437 -9.338 1.00 1.15 H new ATOM 0 HD2 PRO A 27 -17.951 3.662 -6.834 1.00 1.13 H new ATOM 0 HD3 PRO A 27 -17.682 2.089 -7.559 1.00 1.13 H new ATOM 408 N VAL A 28 -12.793 3.983 -6.019 1.00 0.77 N ATOM 409 CA VAL A 28 -11.871 4.954 -5.410 1.00 0.76 C ATOM 410 C VAL A 28 -10.692 5.165 -6.367 1.00 0.94 C ATOM 411 O VAL A 28 -10.153 4.194 -6.905 1.00 0.93 O ATOM 412 CB VAL A 28 -11.362 4.447 -4.032 1.00 0.89 C ATOM 413 CG1 VAL A 28 -10.350 5.424 -3.406 1.00 1.21 C ATOM 414 CG2 VAL A 28 -12.515 4.231 -3.035 1.00 1.63 C ATOM 0 H VAL A 28 -12.300 3.171 -6.389 1.00 0.77 H new ATOM 0 HA VAL A 28 -12.393 5.896 -5.242 1.00 0.76 H new ATOM 0 HB VAL A 28 -10.874 3.492 -4.227 1.00 0.89 H new ATOM 0 HG11 VAL A 28 -10.017 5.036 -2.444 1.00 1.21 H new ATOM 0 HG12 VAL A 28 -9.492 5.534 -4.070 1.00 1.21 H new ATOM 0 HG13 VAL A 28 -10.824 6.395 -3.261 1.00 1.21 H new ATOM 0 HG21 VAL A 28 -12.113 3.877 -2.086 1.00 1.63 H new ATOM 0 HG22 VAL A 28 -13.041 5.173 -2.878 1.00 1.63 H new ATOM 0 HG23 VAL A 28 -13.208 3.491 -3.435 1.00 1.63 H new ATOM 424 N ARG A 29 -10.286 6.426 -6.573 1.00 0.67 N ATOM 425 CA ARG A 29 -9.113 6.792 -7.381 1.00 0.62 C ATOM 426 C ARG A 29 -8.025 7.417 -6.507 1.00 1.10 C ATOM 427 O ARG A 29 -8.339 8.113 -5.540 1.00 1.35 O ATOM 428 CB ARG A 29 -9.477 7.773 -8.513 1.00 0.71 C ATOM 429 CG ARG A 29 -10.383 7.170 -9.599 1.00 0.89 C ATOM 430 CD ARG A 29 -10.584 8.122 -10.791 1.00 1.25 C ATOM 431 NE ARG A 29 -9.385 8.233 -11.651 1.00 2.24 N ATOM 432 CZ ARG A 29 -9.311 8.165 -12.978 1.00 3.38 C ATOM 433 NH1 ARG A 29 -10.360 7.965 -13.753 1.00 3.96 N ATOM 434 NH2 ARG A 29 -8.134 8.307 -13.539 1.00 4.70 N ATOM 0 H ARG A 29 -10.770 7.232 -6.178 1.00 0.67 H new ATOM 0 HA ARG A 29 -8.740 5.871 -7.828 1.00 0.62 H new ATOM 0 HB2 ARG A 29 -9.974 8.641 -8.081 1.00 0.71 H new ATOM 0 HB3 ARG A 29 -8.559 8.131 -8.979 1.00 0.71 H new ATOM 0 HG2 ARG A 29 -9.948 6.235 -9.953 1.00 0.89 H new ATOM 0 HG3 ARG A 29 -11.353 6.926 -9.165 1.00 0.89 H new ATOM 0 HD2 ARG A 29 -11.424 7.771 -11.391 1.00 1.25 H new ATOM 0 HD3 ARG A 29 -10.850 9.111 -10.418 1.00 1.25 H new ATOM 0 HE ARG A 29 -8.501 8.381 -11.164 1.00 2.24 H new ATOM 0 HH11 ARG A 29 -11.286 7.854 -13.340 1.00 3.96 H new ATOM 0 HH12 ARG A 29 -10.245 7.922 -14.766 1.00 3.96 H new ATOM 0 HH21 ARG A 29 -7.309 8.464 -12.960 1.00 4.70 H new ATOM 0 HH22 ARG A 29 -8.044 8.260 -14.554 1.00 4.70 H new ATOM 448 N LEU A 30 -6.754 7.228 -6.867 1.00 0.56 N ATOM 449 CA LEU A 30 -5.620 7.861 -6.177 1.00 0.60 C ATOM 450 C LEU A 30 -5.630 9.394 -6.333 1.00 0.97 C ATOM 451 O LEU A 30 -5.093 10.102 -5.487 1.00 1.11 O ATOM 452 CB LEU A 30 -4.333 7.200 -6.692 1.00 0.70 C ATOM 453 CG LEU A 30 -3.022 7.626 -6.004 1.00 0.85 C ATOM 454 CD1 LEU A 30 -2.997 7.235 -4.519 1.00 2.07 C ATOM 455 CD2 LEU A 30 -1.858 6.950 -6.739 1.00 1.86 C ATOM 0 H LEU A 30 -6.478 6.631 -7.647 1.00 0.56 H new ATOM 0 HA LEU A 30 -5.692 7.702 -5.101 1.00 0.60 H new ATOM 0 HB2 LEU A 30 -4.438 6.120 -6.588 1.00 0.70 H new ATOM 0 HB3 LEU A 30 -4.244 7.410 -7.758 1.00 0.70 H new ATOM 0 HG LEU A 30 -2.937 8.712 -6.050 1.00 0.85 H new ATOM 0 HD11 LEU A 30 -2.055 7.555 -4.074 1.00 2.07 H new ATOM 0 HD12 LEU A 30 -3.825 7.719 -4.001 1.00 2.07 H new ATOM 0 HD13 LEU A 30 -3.094 6.153 -4.426 1.00 2.07 H new ATOM 0 HD21 LEU A 30 -0.916 7.236 -6.270 1.00 1.86 H new ATOM 0 HD22 LEU A 30 -1.975 5.867 -6.688 1.00 1.86 H new ATOM 0 HD23 LEU A 30 -1.854 7.265 -7.782 1.00 1.86 H new ATOM 467 N SER A 31 -6.331 9.921 -7.339 1.00 0.72 N ATOM 468 CA SER A 31 -6.683 11.343 -7.460 1.00 0.88 C ATOM 469 C SER A 31 -7.361 11.921 -6.200 1.00 1.17 C ATOM 470 O SER A 31 -7.128 13.082 -5.877 1.00 1.66 O ATOM 471 CB SER A 31 -7.578 11.559 -8.690 1.00 1.22 C ATOM 472 OG SER A 31 -8.890 11.037 -8.509 1.00 1.91 O ATOM 0 H SER A 31 -6.680 9.358 -8.114 1.00 0.72 H new ATOM 0 HA SER A 31 -5.745 11.885 -7.578 1.00 0.88 H new ATOM 0 HB2 SER A 31 -7.642 12.625 -8.906 1.00 1.22 H new ATOM 0 HB3 SER A 31 -7.118 11.085 -9.557 1.00 1.22 H new ATOM 0 HG SER A 31 -9.421 11.200 -9.316 1.00 1.91 H new ATOM 478 N GLN A 32 -8.132 11.130 -5.434 1.00 0.83 N ATOM 479 CA GLN A 32 -8.716 11.561 -4.147 1.00 0.98 C ATOM 480 C GLN A 32 -7.641 11.915 -3.109 1.00 1.36 C ATOM 481 O GLN A 32 -7.933 12.598 -2.130 1.00 1.56 O ATOM 482 CB GLN A 32 -9.630 10.455 -3.579 1.00 1.14 C ATOM 483 CG GLN A 32 -10.980 10.324 -4.298 1.00 1.35 C ATOM 484 CD GLN A 32 -11.897 11.513 -4.019 1.00 2.16 C ATOM 485 OE1 GLN A 32 -11.902 12.491 -4.746 1.00 3.18 O ATOM 486 NE2 GLN A 32 -12.692 11.494 -2.965 1.00 2.57 N ATOM 0 H GLN A 32 -8.370 10.171 -5.688 1.00 0.83 H new ATOM 0 HA GLN A 32 -9.298 12.461 -4.347 1.00 0.98 H new ATOM 0 HB2 GLN A 32 -9.106 9.501 -3.637 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -9.811 10.656 -2.523 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -10.812 10.241 -5.372 1.00 1.35 H new ATOM 0 HG3 GLN A 32 -11.472 9.405 -3.980 1.00 1.35 H new ATOM 0 HE21 GLN A 32 -12.700 10.683 -2.347 1.00 2.57 H new ATOM 0 HE22 GLN A 32 -13.298 12.290 -2.769 1.00 2.57 H new ATOM 495 N PHE A 33 -6.400 11.469 -3.316 1.00 0.92 N ATOM 496 CA PHE A 33 -5.269 11.617 -2.412 1.00 1.11 C ATOM 497 C PHE A 33 -4.061 12.281 -3.094 1.00 2.10 C ATOM 498 O PHE A 33 -2.939 12.132 -2.615 1.00 2.62 O ATOM 499 CB PHE A 33 -4.910 10.225 -1.868 1.00 1.36 C ATOM 500 CG PHE A 33 -6.064 9.442 -1.273 1.00 1.08 C ATOM 501 CD1 PHE A 33 -6.454 9.663 0.063 1.00 2.28 C ATOM 502 CD2 PHE A 33 -6.751 8.494 -2.055 1.00 1.90 C ATOM 503 CE1 PHE A 33 -7.525 8.934 0.609 1.00 2.43 C ATOM 504 CE2 PHE A 33 -7.817 7.762 -1.503 1.00 1.72 C ATOM 505 CZ PHE A 33 -8.200 7.977 -0.169 1.00 1.37 C ATOM 0 H PHE A 33 -6.149 10.968 -4.168 1.00 0.92 H new ATOM 0 HA PHE A 33 -5.548 12.280 -1.593 1.00 1.11 H new ATOM 0 HB2 PHE A 33 -4.474 9.639 -2.677 1.00 1.36 H new ATOM 0 HB3 PHE A 33 -4.139 10.339 -1.106 1.00 1.36 H new ATOM 0 HD1 PHE A 33 -5.931 10.391 0.666 1.00 2.28 H new ATOM 0 HD2 PHE A 33 -6.458 8.329 -3.081 1.00 1.90 H new ATOM 0 HE1 PHE A 33 -7.830 9.110 1.630 1.00 2.43 H new ATOM 0 HE2 PHE A 33 -8.341 7.034 -2.105 1.00 1.72 H new ATOM 0 HZ PHE A 33 -9.012 7.408 0.259 1.00 1.37 H new ATOM 515 N GLN A 34 -4.245 13.026 -4.192 1.00 0.91 N ATOM 516 CA GLN A 34 -3.115 13.621 -4.934 1.00 1.07 C ATOM 517 C GLN A 34 -2.494 14.879 -4.295 1.00 1.33 C ATOM 518 O GLN A 34 -1.582 15.457 -4.871 1.00 2.18 O ATOM 519 CB GLN A 34 -3.460 13.816 -6.416 1.00 1.25 C ATOM 520 CG GLN A 34 -4.331 15.040 -6.741 1.00 1.42 C ATOM 521 CD GLN A 34 -4.429 15.220 -8.250 1.00 1.72 C ATOM 522 OE1 GLN A 34 -5.396 14.840 -8.886 1.00 2.22 O ATOM 523 NE2 GLN A 34 -3.409 15.742 -8.902 1.00 2.36 N ATOM 0 H GLN A 34 -5.161 13.233 -4.589 1.00 0.91 H new ATOM 0 HA GLN A 34 -2.314 12.884 -4.867 1.00 1.07 H new ATOM 0 HB2 GLN A 34 -2.530 13.895 -6.979 1.00 1.25 H new ATOM 0 HB3 GLN A 34 -3.974 12.923 -6.771 1.00 1.25 H new ATOM 0 HG2 GLN A 34 -5.326 14.912 -6.316 1.00 1.42 H new ATOM 0 HG3 GLN A 34 -3.903 15.933 -6.286 1.00 1.42 H new ATOM 0 HE21 GLN A 34 -2.589 16.067 -8.390 1.00 2.36 H new ATOM 0 HE22 GLN A 34 -3.440 15.821 -9.918 1.00 2.36 H new ATOM 532 N ASP A 35 -2.955 15.303 -3.119 1.00 0.99 N ATOM 533 CA ASP A 35 -2.272 16.239 -2.194 1.00 1.17 C ATOM 534 C ASP A 35 -1.473 15.472 -1.115 1.00 1.36 C ATOM 535 O ASP A 35 -0.583 16.003 -0.452 1.00 1.65 O ATOM 536 CB ASP A 35 -3.378 17.123 -1.561 1.00 1.32 C ATOM 537 CG ASP A 35 -3.105 17.677 -0.149 1.00 2.13 C ATOM 538 OD1 ASP A 35 -2.180 18.495 0.035 1.00 3.25 O ATOM 539 OD2 ASP A 35 -3.875 17.307 0.776 1.00 2.84 O ATOM 0 H ASP A 35 -3.858 14.995 -2.758 1.00 0.99 H new ATOM 0 HA ASP A 35 -1.547 16.854 -2.726 1.00 1.17 H new ATOM 0 HB2 ASP A 35 -3.561 17.966 -2.227 1.00 1.32 H new ATOM 0 HB3 ASP A 35 -4.299 16.540 -1.525 1.00 1.32 H new ATOM 544 N LYS A 36 -1.838 14.208 -0.898 1.00 1.05 N ATOM 545 CA LYS A 36 -1.771 13.558 0.409 1.00 0.99 C ATOM 546 C LYS A 36 -0.618 12.565 0.551 1.00 1.13 C ATOM 547 O LYS A 36 0.076 12.289 -0.422 1.00 1.38 O ATOM 548 CB LYS A 36 -3.153 12.983 0.711 1.00 1.26 C ATOM 549 CG LYS A 36 -4.096 14.170 0.859 1.00 1.58 C ATOM 550 CD LYS A 36 -5.284 13.766 1.695 1.00 2.12 C ATOM 551 CE LYS A 36 -6.438 14.697 1.342 1.00 2.66 C ATOM 552 NZ LYS A 36 -6.171 16.107 1.755 1.00 2.57 N ATOM 0 H LYS A 36 -2.193 13.600 -1.636 1.00 1.05 H new ATOM 0 HA LYS A 36 -1.522 14.294 1.173 1.00 0.99 H new ATOM 0 HB2 LYS A 36 -3.483 12.324 -0.093 1.00 1.26 H new ATOM 0 HB3 LYS A 36 -3.134 12.387 1.624 1.00 1.26 H new ATOM 0 HG2 LYS A 36 -3.576 15.006 1.327 1.00 1.58 H new ATOM 0 HG3 LYS A 36 -4.427 14.510 -0.122 1.00 1.58 H new ATOM 0 HD2 LYS A 36 -5.555 12.729 1.498 1.00 2.12 H new ATOM 0 HD3 LYS A 36 -5.046 13.837 2.756 1.00 2.12 H new ATOM 0 HE2 LYS A 36 -6.615 14.662 0.267 1.00 2.66 H new ATOM 0 HE3 LYS A 36 -7.349 14.344 1.826 1.00 2.66 H new ATOM 0 HZ1 LYS A 36 -6.982 16.704 1.495 1.00 2.57 H new ATOM 0 HZ2 LYS A 36 -6.028 16.146 2.784 1.00 2.57 H new ATOM 0 HZ3 LYS A 36 -5.317 16.454 1.273 1.00 2.57 H new ATOM 566 N VAL A 37 -0.431 12.002 1.742 1.00 0.87 N ATOM 567 CA VAL A 37 0.583 10.975 1.998 1.00 0.93 C ATOM 568 C VAL A 37 -0.145 9.638 1.902 1.00 1.27 C ATOM 569 O VAL A 37 -1.111 9.398 2.628 1.00 1.67 O ATOM 570 CB VAL A 37 1.272 11.140 3.376 1.00 1.17 C ATOM 571 CG1 VAL A 37 2.408 10.120 3.553 1.00 1.55 C ATOM 572 CG2 VAL A 37 1.855 12.552 3.542 1.00 1.25 C ATOM 0 H VAL A 37 -0.982 12.246 2.565 1.00 0.87 H new ATOM 0 HA VAL A 37 1.391 11.052 1.271 1.00 0.93 H new ATOM 0 HB VAL A 37 0.506 10.971 4.133 1.00 1.17 H new ATOM 0 HG11 VAL A 37 2.873 10.259 4.529 1.00 1.55 H new ATOM 0 HG12 VAL A 37 2.004 9.110 3.485 1.00 1.55 H new ATOM 0 HG13 VAL A 37 3.153 10.266 2.771 1.00 1.55 H new ATOM 0 HG21 VAL A 37 2.332 12.636 4.519 1.00 1.25 H new ATOM 0 HG22 VAL A 37 2.593 12.735 2.761 1.00 1.25 H new ATOM 0 HG23 VAL A 37 1.054 13.288 3.464 1.00 1.25 H new ATOM 582 N VAL A 38 0.305 8.813 0.955 1.00 0.65 N ATOM 583 CA VAL A 38 -0.229 7.468 0.712 1.00 0.66 C ATOM 584 C VAL A 38 0.913 6.457 0.661 1.00 0.98 C ATOM 585 O VAL A 38 1.865 6.607 -0.113 1.00 0.87 O ATOM 586 CB VAL A 38 -1.078 7.406 -0.580 1.00 0.77 C ATOM 587 CG1 VAL A 38 -1.458 5.965 -0.976 1.00 1.29 C ATOM 588 CG2 VAL A 38 -2.366 8.228 -0.418 1.00 1.09 C ATOM 0 H VAL A 38 1.065 9.064 0.323 1.00 0.65 H new ATOM 0 HA VAL A 38 -0.892 7.216 1.539 1.00 0.66 H new ATOM 0 HB VAL A 38 -0.457 7.823 -1.373 1.00 0.77 H new ATOM 0 HG11 VAL A 38 -2.053 5.983 -1.889 1.00 1.29 H new ATOM 0 HG12 VAL A 38 -0.552 5.383 -1.145 1.00 1.29 H new ATOM 0 HG13 VAL A 38 -2.038 5.508 -0.174 1.00 1.29 H new ATOM 0 HG21 VAL A 38 -2.951 8.173 -1.336 1.00 1.09 H new ATOM 0 HG22 VAL A 38 -2.952 7.827 0.410 1.00 1.09 H new ATOM 0 HG23 VAL A 38 -2.111 9.268 -0.212 1.00 1.09 H new ATOM 598 N LEU A 39 0.749 5.392 1.447 1.00 0.69 N ATOM 599 CA LEU A 39 1.442 4.114 1.286 1.00 0.69 C ATOM 600 C LEU A 39 0.517 3.159 0.533 1.00 1.11 C ATOM 601 O LEU A 39 -0.618 2.937 0.953 1.00 1.18 O ATOM 602 CB LEU A 39 1.760 3.516 2.669 1.00 0.83 C ATOM 603 CG LEU A 39 3.051 4.036 3.321 1.00 1.07 C ATOM 604 CD1 LEU A 39 3.063 3.593 4.788 1.00 2.13 C ATOM 605 CD2 LEU A 39 4.294 3.463 2.620 1.00 1.73 C ATOM 0 H LEU A 39 0.108 5.396 2.240 1.00 0.69 H new ATOM 0 HA LEU A 39 2.372 4.263 0.737 1.00 0.69 H new ATOM 0 HB2 LEU A 39 0.925 3.722 3.338 1.00 0.83 H new ATOM 0 HB3 LEU A 39 1.831 2.433 2.572 1.00 0.83 H new ATOM 0 HG LEU A 39 3.077 5.122 3.237 1.00 1.07 H new ATOM 0 HD11 LEU A 39 3.973 3.953 5.269 1.00 2.13 H new ATOM 0 HD12 LEU A 39 2.194 4.006 5.300 1.00 2.13 H new ATOM 0 HD13 LEU A 39 3.031 2.505 4.840 1.00 2.13 H new ATOM 0 HD21 LEU A 39 5.193 3.847 3.102 1.00 1.73 H new ATOM 0 HD22 LEU A 39 4.282 2.375 2.690 1.00 1.73 H new ATOM 0 HD23 LEU A 39 4.289 3.760 1.571 1.00 1.73 H new ATOM 617 N LEU A 40 1.027 2.588 -0.556 1.00 0.63 N ATOM 618 CA LEU A 40 0.341 1.564 -1.335 1.00 0.60 C ATOM 619 C LEU A 40 1.050 0.222 -1.129 1.00 0.99 C ATOM 620 O LEU A 40 2.272 0.136 -1.280 1.00 1.12 O ATOM 621 CB LEU A 40 0.321 2.001 -2.810 1.00 0.62 C ATOM 622 CG LEU A 40 -0.687 1.233 -3.687 1.00 1.31 C ATOM 623 CD1 LEU A 40 -2.129 1.633 -3.351 1.00 1.62 C ATOM 624 CD2 LEU A 40 -0.427 1.561 -5.160 1.00 2.62 C ATOM 0 H LEU A 40 1.946 2.830 -0.927 1.00 0.63 H new ATOM 0 HA LEU A 40 -0.692 1.440 -1.010 1.00 0.60 H new ATOM 0 HB2 LEU A 40 0.089 3.065 -2.858 1.00 0.62 H new ATOM 0 HB3 LEU A 40 1.319 1.873 -3.228 1.00 0.62 H new ATOM 0 HG LEU A 40 -0.560 0.167 -3.497 1.00 1.31 H new ATOM 0 HD11 LEU A 40 -2.818 1.075 -3.985 1.00 1.62 H new ATOM 0 HD12 LEU A 40 -2.335 1.407 -2.305 1.00 1.62 H new ATOM 0 HD13 LEU A 40 -2.260 2.701 -3.524 1.00 1.62 H new ATOM 0 HD21 LEU A 40 -1.138 1.020 -5.784 1.00 2.62 H new ATOM 0 HD22 LEU A 40 -0.545 2.633 -5.321 1.00 2.62 H new ATOM 0 HD23 LEU A 40 0.588 1.264 -5.425 1.00 2.62 H new ATOM 636 N PHE A 41 0.282 -0.812 -0.783 1.00 0.61 N ATOM 637 CA PHE A 41 0.770 -2.177 -0.578 1.00 0.61 C ATOM 638 C PHE A 41 -0.125 -3.170 -1.332 1.00 1.40 C ATOM 639 O PHE A 41 -1.355 -3.124 -1.206 1.00 1.70 O ATOM 640 CB PHE A 41 0.815 -2.462 0.936 1.00 0.63 C ATOM 641 CG PHE A 41 1.331 -3.824 1.386 1.00 0.80 C ATOM 642 CD1 PHE A 41 2.382 -4.478 0.708 1.00 2.17 C ATOM 643 CD2 PHE A 41 0.793 -4.418 2.545 1.00 1.86 C ATOM 644 CE1 PHE A 41 2.874 -5.711 1.180 1.00 2.09 C ATOM 645 CE2 PHE A 41 1.279 -5.651 3.015 1.00 1.96 C ATOM 646 CZ PHE A 41 2.324 -6.295 2.335 1.00 0.96 C ATOM 0 H PHE A 41 -0.723 -0.721 -0.634 1.00 0.61 H new ATOM 0 HA PHE A 41 1.778 -2.291 -0.977 1.00 0.61 H new ATOM 0 HB2 PHE A 41 1.436 -1.697 1.403 1.00 0.63 H new ATOM 0 HB3 PHE A 41 -0.194 -2.338 1.331 1.00 0.63 H new ATOM 0 HD1 PHE A 41 2.811 -4.031 -0.177 1.00 2.17 H new ATOM 0 HD2 PHE A 41 -0.003 -3.920 3.079 1.00 1.86 H new ATOM 0 HE1 PHE A 41 3.675 -6.209 0.654 1.00 2.09 H new ATOM 0 HE2 PHE A 41 0.849 -6.101 3.897 1.00 1.96 H new ATOM 0 HZ PHE A 41 2.705 -7.238 2.698 1.00 0.96 H new ATOM 656 N PHE A 42 0.505 -4.070 -2.095 1.00 0.61 N ATOM 657 CA PHE A 42 -0.169 -5.116 -2.866 1.00 0.60 C ATOM 658 C PHE A 42 -0.101 -6.446 -2.105 1.00 1.79 C ATOM 659 O PHE A 42 0.979 -6.997 -1.891 1.00 2.20 O ATOM 660 CB PHE A 42 0.454 -5.205 -4.266 1.00 0.66 C ATOM 661 CG PHE A 42 0.153 -3.992 -5.127 1.00 0.74 C ATOM 662 CD1 PHE A 42 0.948 -2.833 -5.019 1.00 1.97 C ATOM 663 CD2 PHE A 42 -0.927 -4.013 -6.030 1.00 1.83 C ATOM 664 CE1 PHE A 42 0.689 -1.720 -5.836 1.00 2.06 C ATOM 665 CE2 PHE A 42 -1.191 -2.895 -6.844 1.00 1.65 C ATOM 666 CZ PHE A 42 -0.380 -1.751 -6.751 1.00 0.95 C ATOM 0 H PHE A 42 1.520 -4.090 -2.195 1.00 0.61 H new ATOM 0 HA PHE A 42 -1.224 -4.872 -2.994 1.00 0.60 H new ATOM 0 HB2 PHE A 42 1.534 -5.317 -4.171 1.00 0.66 H new ATOM 0 HB3 PHE A 42 0.084 -6.100 -4.766 1.00 0.66 H new ATOM 0 HD1 PHE A 42 1.759 -2.801 -4.306 1.00 1.97 H new ATOM 0 HD2 PHE A 42 -1.555 -4.889 -6.098 1.00 1.83 H new ATOM 0 HE1 PHE A 42 1.311 -0.840 -5.762 1.00 2.06 H new ATOM 0 HE2 PHE A 42 -2.017 -2.917 -7.540 1.00 1.65 H new ATOM 0 HZ PHE A 42 -0.577 -0.896 -7.381 1.00 0.95 H new ATOM 676 N GLY A 43 -1.262 -6.918 -1.635 1.00 0.58 N ATOM 677 CA GLY A 43 -1.395 -8.014 -0.669 1.00 0.69 C ATOM 678 C GLY A 43 -2.600 -8.942 -0.855 1.00 0.83 C ATOM 679 O GLY A 43 -3.408 -8.828 -1.775 1.00 0.90 O ATOM 0 H GLY A 43 -2.162 -6.536 -1.926 1.00 0.58 H new ATOM 0 HA2 GLY A 43 -0.489 -8.618 -0.710 1.00 0.69 H new ATOM 0 HA3 GLY A 43 -1.446 -7.584 0.331 1.00 0.69 H new ATOM 683 N PHE A 44 -2.719 -9.882 0.078 1.00 1.06 N ATOM 684 CA PHE A 44 -3.830 -10.823 0.239 1.00 1.16 C ATOM 685 C PHE A 44 -4.099 -10.929 1.747 1.00 2.00 C ATOM 686 O PHE A 44 -3.137 -11.119 2.497 1.00 2.77 O ATOM 687 CB PHE A 44 -3.403 -12.166 -0.393 1.00 1.32 C ATOM 688 CG PHE A 44 -4.235 -13.392 -0.054 1.00 1.86 C ATOM 689 CD1 PHE A 44 -5.641 -13.334 -0.064 1.00 3.13 C ATOM 690 CD2 PHE A 44 -3.598 -14.616 0.226 1.00 2.78 C ATOM 691 CE1 PHE A 44 -6.404 -14.475 0.232 1.00 4.14 C ATOM 692 CE2 PHE A 44 -4.358 -15.766 0.505 1.00 3.68 C ATOM 693 CZ PHE A 44 -5.762 -15.695 0.511 1.00 4.15 C ATOM 0 H PHE A 44 -1.999 -10.018 0.787 1.00 1.06 H new ATOM 0 HA PHE A 44 -4.748 -10.507 -0.256 1.00 1.16 H new ATOM 0 HB2 PHE A 44 -3.406 -12.045 -1.476 1.00 1.32 H new ATOM 0 HB3 PHE A 44 -2.373 -12.365 -0.098 1.00 1.32 H new ATOM 0 HD1 PHE A 44 -6.137 -12.405 -0.301 1.00 3.13 H new ATOM 0 HD2 PHE A 44 -2.519 -14.672 0.227 1.00 2.78 H new ATOM 0 HE1 PHE A 44 -7.482 -14.416 0.245 1.00 4.14 H new ATOM 0 HE2 PHE A 44 -3.863 -16.703 0.714 1.00 3.68 H new ATOM 0 HZ PHE A 44 -6.347 -16.576 0.730 1.00 4.15 H new ATOM 703 N THR A 45 -5.349 -10.780 2.220 1.00 1.20 N ATOM 704 CA THR A 45 -5.664 -10.629 3.668 1.00 1.44 C ATOM 705 C THR A 45 -5.245 -11.792 4.567 1.00 1.95 C ATOM 706 O THR A 45 -5.357 -11.682 5.788 1.00 2.81 O ATOM 707 CB THR A 45 -7.151 -10.377 3.912 1.00 1.57 C ATOM 708 OG1 THR A 45 -7.864 -11.515 3.495 1.00 2.17 O ATOM 709 CG2 THR A 45 -7.664 -9.109 3.238 1.00 1.14 C ATOM 0 H THR A 45 -6.173 -10.760 1.619 1.00 1.20 H new ATOM 0 HA THR A 45 -5.060 -9.765 3.946 1.00 1.44 H new ATOM 0 HB THR A 45 -7.305 -10.208 4.978 1.00 1.57 H new ATOM 0 HG1 THR A 45 -8.379 -11.301 2.689 1.00 2.17 H new ATOM 0 HG21 THR A 45 -8.726 -8.988 3.450 1.00 1.14 H new ATOM 0 HG22 THR A 45 -7.117 -8.247 3.620 1.00 1.14 H new ATOM 0 HG23 THR A 45 -7.516 -9.184 2.161 1.00 1.14 H new ATOM 717 N ARG A 46 -4.845 -12.928 3.989 1.00 1.74 N ATOM 718 CA ARG A 46 -4.162 -14.016 4.691 1.00 2.10 C ATOM 719 C ARG A 46 -2.644 -13.853 4.487 1.00 2.20 C ATOM 720 O ARG A 46 -1.975 -13.280 5.346 1.00 3.65 O ATOM 721 CB ARG A 46 -4.703 -15.385 4.232 1.00 2.43 C ATOM 722 CG ARG A 46 -5.997 -15.875 4.917 1.00 3.12 C ATOM 723 CD ARG A 46 -7.249 -14.989 4.776 1.00 4.48 C ATOM 724 NE ARG A 46 -7.266 -13.881 5.744 1.00 6.20 N ATOM 725 CZ ARG A 46 -7.496 -13.926 7.048 1.00 7.73 C ATOM 726 NH1 ARG A 46 -7.930 -15.014 7.658 1.00 8.14 N ATOM 727 NH2 ARG A 46 -7.264 -12.842 7.754 1.00 9.44 N ATOM 0 H ARG A 46 -4.991 -13.120 2.998 1.00 1.74 H new ATOM 0 HA ARG A 46 -4.360 -13.970 5.762 1.00 2.10 H new ATOM 0 HB2 ARG A 46 -4.881 -15.339 3.158 1.00 2.43 H new ATOM 0 HB3 ARG A 46 -3.926 -16.132 4.395 1.00 2.43 H new ATOM 0 HG2 ARG A 46 -6.236 -16.862 4.521 1.00 3.12 H new ATOM 0 HG3 ARG A 46 -5.790 -16.000 5.980 1.00 3.12 H new ATOM 0 HD2 ARG A 46 -7.292 -14.585 3.765 1.00 4.48 H new ATOM 0 HD3 ARG A 46 -8.141 -15.601 4.913 1.00 4.48 H new ATOM 0 HE ARG A 46 -7.075 -12.955 5.360 1.00 6.20 H new ATOM 0 HH11 ARG A 46 -8.101 -15.865 7.122 1.00 8.14 H new ATOM 0 HH12 ARG A 46 -8.094 -15.003 8.665 1.00 8.14 H new ATOM 0 HH21 ARG A 46 -6.917 -11.999 7.296 1.00 9.44 H new ATOM 0 HH22 ARG A 46 -7.431 -12.843 8.760 1.00 9.44 H new ATOM 741 N CYS A 47 -2.107 -14.323 3.344 1.00 1.39 N ATOM 742 CA CYS A 47 -0.652 -14.506 3.140 1.00 1.70 C ATOM 743 C CYS A 47 -0.131 -15.551 4.177 1.00 1.88 C ATOM 744 O CYS A 47 -0.966 -16.278 4.724 1.00 2.53 O ATOM 745 CB CYS A 47 -0.005 -13.102 3.163 1.00 2.23 C ATOM 746 SG CYS A 47 1.144 -12.828 1.776 1.00 4.02 S ATOM 0 H CYS A 47 -2.668 -14.587 2.534 1.00 1.39 H new ATOM 0 HA CYS A 47 -0.380 -14.934 2.175 1.00 1.70 H new ATOM 0 HB2 CYS A 47 -0.789 -12.346 3.133 1.00 2.23 H new ATOM 0 HB3 CYS A 47 0.530 -12.970 4.103 1.00 2.23 H new ATOM 0 HG CYS A 47 0.491 -12.890 0.653 1.00 4.02 H new ATOM 752 N PRO A 48 1.185 -15.703 4.429 1.00 1.64 N ATOM 753 CA PRO A 48 1.681 -16.500 5.542 1.00 1.92 C ATOM 754 C PRO A 48 1.716 -15.673 6.837 1.00 1.76 C ATOM 755 O PRO A 48 1.074 -16.067 7.803 1.00 2.07 O ATOM 756 CB PRO A 48 3.061 -16.998 5.107 1.00 2.49 C ATOM 757 CG PRO A 48 3.553 -15.935 4.129 1.00 2.41 C ATOM 758 CD PRO A 48 2.285 -15.297 3.571 1.00 1.97 C ATOM 0 HA PRO A 48 1.032 -17.345 5.771 1.00 1.92 H new ATOM 0 HB2 PRO A 48 3.735 -17.098 5.958 1.00 2.49 H new ATOM 0 HB3 PRO A 48 2.999 -17.977 4.633 1.00 2.49 H new ATOM 0 HG2 PRO A 48 4.179 -15.197 4.630 1.00 2.41 H new ATOM 0 HG3 PRO A 48 4.155 -16.377 3.335 1.00 2.41 H new ATOM 0 HD2 PRO A 48 2.377 -14.211 3.552 1.00 1.97 H new ATOM 0 HD3 PRO A 48 2.112 -15.620 2.545 1.00 1.97 H new ATOM 766 N ASP A 49 2.419 -14.531 6.854 1.00 1.19 N ATOM 767 CA ASP A 49 2.671 -13.730 8.075 1.00 1.08 C ATOM 768 C ASP A 49 3.124 -12.298 7.722 1.00 1.04 C ATOM 769 O ASP A 49 2.596 -11.313 8.225 1.00 1.19 O ATOM 770 CB ASP A 49 3.726 -14.452 8.931 1.00 1.42 C ATOM 771 CG ASP A 49 3.954 -13.748 10.270 1.00 2.52 C ATOM 772 OD1 ASP A 49 4.801 -12.824 10.287 1.00 3.26 O ATOM 773 OD2 ASP A 49 3.281 -14.128 11.255 1.00 3.57 O ATOM 0 H ASP A 49 2.836 -14.128 6.015 1.00 1.19 H new ATOM 0 HA ASP A 49 1.745 -13.637 8.643 1.00 1.08 H new ATOM 0 HB2 ASP A 49 3.407 -15.479 9.110 1.00 1.42 H new ATOM 0 HB3 ASP A 49 4.667 -14.502 8.382 1.00 1.42 H new ATOM 778 N VAL A 50 4.006 -12.190 6.732 1.00 1.09 N ATOM 779 CA VAL A 50 4.483 -10.948 6.094 1.00 1.13 C ATOM 780 C VAL A 50 3.403 -9.897 5.746 1.00 1.23 C ATOM 781 O VAL A 50 3.713 -8.716 5.655 1.00 1.44 O ATOM 782 CB VAL A 50 5.292 -11.335 4.829 1.00 1.40 C ATOM 783 CG1 VAL A 50 4.399 -11.859 3.686 1.00 1.69 C ATOM 784 CG2 VAL A 50 6.188 -10.209 4.308 1.00 1.75 C ATOM 0 H VAL A 50 4.440 -13.017 6.321 1.00 1.09 H new ATOM 0 HA VAL A 50 5.096 -10.443 6.840 1.00 1.13 H new ATOM 0 HB VAL A 50 5.939 -12.146 5.163 1.00 1.40 H new ATOM 0 HG11 VAL A 50 5.020 -12.114 2.827 1.00 1.69 H new ATOM 0 HG12 VAL A 50 3.862 -12.746 4.022 1.00 1.69 H new ATOM 0 HG13 VAL A 50 3.684 -11.088 3.400 1.00 1.69 H new ATOM 0 HG21 VAL A 50 6.724 -10.551 3.422 1.00 1.75 H new ATOM 0 HG22 VAL A 50 5.575 -9.345 4.051 1.00 1.75 H new ATOM 0 HG23 VAL A 50 6.905 -9.928 5.080 1.00 1.75 H new ATOM 794 N CYS A 51 2.137 -10.292 5.537 1.00 1.15 N ATOM 795 CA CYS A 51 1.023 -9.354 5.341 1.00 1.26 C ATOM 796 C CYS A 51 0.585 -8.661 6.658 1.00 1.32 C ATOM 797 O CYS A 51 0.731 -7.437 6.735 1.00 1.52 O ATOM 798 CB CYS A 51 -0.081 -10.059 4.530 1.00 1.56 C ATOM 799 SG CYS A 51 -1.402 -8.904 4.073 1.00 1.63 S ATOM 0 H CYS A 51 1.858 -11.272 5.499 1.00 1.15 H new ATOM 0 HA CYS A 51 1.340 -8.500 4.742 1.00 1.26 H new ATOM 0 HB2 CYS A 51 0.350 -10.497 3.630 1.00 1.56 H new ATOM 0 HB3 CYS A 51 -0.498 -10.879 5.115 1.00 1.56 H new ATOM 0 HG CYS A 51 -2.309 -9.532 3.385 1.00 1.63 H new ATOM 805 N PRO A 52 0.112 -9.387 7.704 1.00 1.02 N ATOM 806 CA PRO A 52 -0.249 -8.776 8.986 1.00 1.08 C ATOM 807 C PRO A 52 0.917 -8.090 9.701 1.00 1.19 C ATOM 808 O PRO A 52 0.718 -7.003 10.246 1.00 1.13 O ATOM 809 CB PRO A 52 -0.837 -9.889 9.866 1.00 1.24 C ATOM 810 CG PRO A 52 -0.471 -11.193 9.159 1.00 1.19 C ATOM 811 CD PRO A 52 -0.294 -10.788 7.695 1.00 1.11 C ATOM 0 HA PRO A 52 -0.968 -7.979 8.796 1.00 1.08 H new ATOM 0 HB2 PRO A 52 -0.421 -9.856 10.873 1.00 1.24 H new ATOM 0 HB3 PRO A 52 -1.917 -9.784 9.964 1.00 1.24 H new ATOM 0 HG2 PRO A 52 0.443 -11.624 9.566 1.00 1.19 H new ATOM 0 HG3 PRO A 52 -1.255 -11.942 9.273 1.00 1.19 H new ATOM 0 HD2 PRO A 52 0.459 -11.408 7.208 1.00 1.11 H new ATOM 0 HD3 PRO A 52 -1.223 -10.920 7.140 1.00 1.11 H new ATOM 819 N THR A 53 2.111 -8.699 9.719 1.00 0.76 N ATOM 820 CA THR A 53 3.263 -8.199 10.487 1.00 0.81 C ATOM 821 C THR A 53 3.777 -6.873 9.922 1.00 0.98 C ATOM 822 O THR A 53 3.994 -5.919 10.683 1.00 0.98 O ATOM 823 CB THR A 53 4.343 -9.291 10.556 1.00 1.03 C ATOM 824 OG1 THR A 53 3.704 -10.461 11.023 1.00 2.16 O ATOM 825 CG2 THR A 53 5.425 -8.952 11.577 1.00 1.60 C ATOM 0 H THR A 53 2.307 -9.555 9.200 1.00 0.76 H new ATOM 0 HA THR A 53 2.954 -7.978 11.509 1.00 0.81 H new ATOM 0 HB THR A 53 4.802 -9.398 9.573 1.00 1.03 H new ATOM 0 HG1 THR A 53 4.267 -11.240 10.832 1.00 2.16 H new ATOM 0 HG21 THR A 53 6.170 -9.748 11.596 1.00 1.60 H new ATOM 0 HG22 THR A 53 5.905 -8.013 11.301 1.00 1.60 H new ATOM 0 HG23 THR A 53 4.975 -8.853 12.565 1.00 1.60 H new ATOM 833 N THR A 54 3.817 -6.742 8.586 1.00 0.77 N ATOM 834 CA THR A 54 4.099 -5.478 7.890 1.00 0.80 C ATOM 835 C THR A 54 2.990 -4.454 8.081 1.00 0.89 C ATOM 836 O THR A 54 3.321 -3.314 8.385 1.00 0.91 O ATOM 837 CB THR A 54 4.416 -5.727 6.415 1.00 0.95 C ATOM 838 OG1 THR A 54 5.700 -6.301 6.332 1.00 1.38 O ATOM 839 CG2 THR A 54 4.474 -4.458 5.563 1.00 1.00 C ATOM 0 H THR A 54 3.652 -7.523 7.951 1.00 0.77 H new ATOM 0 HA THR A 54 4.988 -5.042 8.346 1.00 0.80 H new ATOM 0 HB THR A 54 3.613 -6.360 6.038 1.00 0.95 H new ATOM 0 HG1 THR A 54 5.855 -6.870 7.115 1.00 1.38 H new ATOM 0 HG21 THR A 54 4.704 -4.723 4.531 1.00 1.00 H new ATOM 0 HG22 THR A 54 3.511 -3.950 5.601 1.00 1.00 H new ATOM 0 HG23 THR A 54 5.249 -3.796 5.949 1.00 1.00 H new ATOM 847 N LEU A 55 1.700 -4.801 7.979 1.00 0.68 N ATOM 848 CA LEU A 55 0.622 -3.836 8.277 1.00 0.69 C ATOM 849 C LEU A 55 0.677 -3.337 9.737 1.00 1.12 C ATOM 850 O LEU A 55 0.320 -2.184 10.000 1.00 1.34 O ATOM 851 CB LEU A 55 -0.766 -4.427 7.931 1.00 0.74 C ATOM 852 CG LEU A 55 -1.123 -4.490 6.429 1.00 0.99 C ATOM 853 CD1 LEU A 55 -2.433 -5.270 6.213 1.00 1.41 C ATOM 854 CD2 LEU A 55 -1.326 -3.101 5.802 1.00 1.41 C ATOM 0 H LEU A 55 1.376 -5.726 7.697 1.00 0.68 H new ATOM 0 HA LEU A 55 0.783 -2.966 7.641 1.00 0.69 H new ATOM 0 HB2 LEU A 55 -0.821 -5.436 8.339 1.00 0.74 H new ATOM 0 HB3 LEU A 55 -1.527 -3.836 8.440 1.00 0.74 H new ATOM 0 HG LEU A 55 -0.276 -4.983 5.951 1.00 0.99 H new ATOM 0 HD11 LEU A 55 -2.666 -5.302 5.149 1.00 1.41 H new ATOM 0 HD12 LEU A 55 -2.318 -6.286 6.590 1.00 1.41 H new ATOM 0 HD13 LEU A 55 -3.244 -4.774 6.747 1.00 1.41 H new ATOM 0 HD21 LEU A 55 -1.574 -3.211 4.746 1.00 1.41 H new ATOM 0 HD22 LEU A 55 -2.139 -2.586 6.314 1.00 1.41 H new ATOM 0 HD23 LEU A 55 -0.409 -2.520 5.900 1.00 1.41 H new ATOM 866 N LEU A 56 1.183 -4.142 10.684 1.00 0.61 N ATOM 867 CA LEU A 56 1.523 -3.683 12.036 1.00 0.62 C ATOM 868 C LEU A 56 2.751 -2.766 12.059 1.00 1.07 C ATOM 869 O LEU A 56 2.731 -1.780 12.793 1.00 1.20 O ATOM 870 CB LEU A 56 1.708 -4.885 12.983 1.00 0.63 C ATOM 871 CG LEU A 56 0.380 -5.495 13.464 1.00 1.98 C ATOM 872 CD1 LEU A 56 0.618 -6.893 14.044 1.00 2.33 C ATOM 873 CD2 LEU A 56 -0.302 -4.608 14.517 1.00 3.19 C ATOM 0 H LEU A 56 1.368 -5.133 10.531 1.00 0.61 H new ATOM 0 HA LEU A 56 0.685 -3.082 12.390 1.00 0.62 H new ATOM 0 HB2 LEU A 56 2.289 -5.654 12.473 1.00 0.63 H new ATOM 0 HB3 LEU A 56 2.289 -4.569 13.849 1.00 0.63 H new ATOM 0 HG LEU A 56 -0.281 -5.566 12.600 1.00 1.98 H new ATOM 0 HD11 LEU A 56 -0.330 -7.313 14.381 1.00 2.33 H new ATOM 0 HD12 LEU A 56 1.048 -7.537 13.277 1.00 2.33 H new ATOM 0 HD13 LEU A 56 1.305 -6.825 14.888 1.00 2.33 H new ATOM 0 HD21 LEU A 56 -1.237 -5.071 14.833 1.00 3.19 H new ATOM 0 HD22 LEU A 56 0.356 -4.495 15.379 1.00 3.19 H new ATOM 0 HD23 LEU A 56 -0.510 -3.628 14.088 1.00 3.19 H new ATOM 885 N ALA A 57 3.807 -3.027 11.285 1.00 0.68 N ATOM 886 CA ALA A 57 4.941 -2.107 11.196 1.00 0.73 C ATOM 887 C ALA A 57 4.544 -0.757 10.597 1.00 0.84 C ATOM 888 O ALA A 57 4.835 0.284 11.190 1.00 1.04 O ATOM 889 CB ALA A 57 6.056 -2.761 10.394 1.00 0.76 C ATOM 0 H ALA A 57 3.900 -3.866 10.712 1.00 0.68 H new ATOM 0 HA ALA A 57 5.296 -1.900 12.206 1.00 0.73 H new ATOM 0 HB1 ALA A 57 6.903 -2.079 10.325 1.00 0.76 H new ATOM 0 HB2 ALA A 57 6.370 -3.680 10.889 1.00 0.76 H new ATOM 0 HB3 ALA A 57 5.695 -2.994 9.392 1.00 0.76 H new ATOM 895 N LEU A 58 3.799 -0.788 9.488 1.00 0.74 N ATOM 896 CA LEU A 58 3.192 0.387 8.876 1.00 0.77 C ATOM 897 C LEU A 58 2.349 1.139 9.906 1.00 1.17 C ATOM 898 O LEU A 58 2.656 2.293 10.161 1.00 1.37 O ATOM 899 CB LEU A 58 2.404 0.007 7.603 1.00 0.80 C ATOM 900 CG LEU A 58 3.245 -0.580 6.443 1.00 1.13 C ATOM 901 CD1 LEU A 58 2.387 -0.668 5.173 1.00 1.33 C ATOM 902 CD2 LEU A 58 4.532 0.207 6.162 1.00 1.77 C ATOM 0 H LEU A 58 3.600 -1.652 8.983 1.00 0.74 H new ATOM 0 HA LEU A 58 3.977 1.069 8.548 1.00 0.77 H new ATOM 0 HB2 LEU A 58 1.638 -0.719 7.875 1.00 0.80 H new ATOM 0 HB3 LEU A 58 1.887 0.895 7.239 1.00 0.80 H new ATOM 0 HG LEU A 58 3.559 -1.576 6.755 1.00 1.13 H new ATOM 0 HD11 LEU A 58 2.983 -1.082 4.359 1.00 1.33 H new ATOM 0 HD12 LEU A 58 1.528 -1.313 5.358 1.00 1.33 H new ATOM 0 HD13 LEU A 58 2.040 0.328 4.899 1.00 1.33 H new ATOM 0 HD21 LEU A 58 5.071 -0.260 5.338 1.00 1.77 H new ATOM 0 HD22 LEU A 58 4.280 1.233 5.895 1.00 1.77 H new ATOM 0 HD23 LEU A 58 5.160 0.207 7.053 1.00 1.77 H new ATOM 914 N LYS A 59 1.385 0.531 10.610 1.00 0.72 N ATOM 915 CA LYS A 59 0.567 1.293 11.574 1.00 0.73 C ATOM 916 C LYS A 59 1.357 1.783 12.808 1.00 0.89 C ATOM 917 O LYS A 59 1.045 2.834 13.364 1.00 0.95 O ATOM 918 CB LYS A 59 -0.723 0.525 11.921 1.00 0.81 C ATOM 919 CG LYS A 59 -0.677 -0.506 13.066 1.00 0.89 C ATOM 920 CD LYS A 59 -1.472 -0.014 14.287 1.00 1.11 C ATOM 921 CE LYS A 59 -1.817 -1.177 15.228 1.00 0.95 C ATOM 922 NZ LYS A 59 -3.006 -0.851 16.055 1.00 1.68 N ATOM 0 H LYS A 59 1.153 -0.460 10.537 1.00 0.72 H new ATOM 0 HA LYS A 59 0.264 2.218 11.082 1.00 0.73 H new ATOM 0 HB2 LYS A 59 -1.491 1.259 12.166 1.00 0.81 H new ATOM 0 HB3 LYS A 59 -1.053 0.007 11.021 1.00 0.81 H new ATOM 0 HG2 LYS A 59 -1.086 -1.456 12.721 1.00 0.89 H new ATOM 0 HG3 LYS A 59 0.358 -0.690 13.352 1.00 0.89 H new ATOM 0 HD2 LYS A 59 -0.890 0.734 14.826 1.00 1.11 H new ATOM 0 HD3 LYS A 59 -2.389 0.474 13.955 1.00 1.11 H new ATOM 0 HE2 LYS A 59 -2.010 -2.078 14.645 1.00 0.95 H new ATOM 0 HE3 LYS A 59 -0.966 -1.392 15.875 1.00 0.95 H new ATOM 0 HZ1 LYS A 59 -3.161 -1.606 16.753 1.00 1.68 H new ATOM 0 HZ2 LYS A 59 -2.849 0.051 16.549 1.00 1.68 H new ATOM 0 HZ3 LYS A 59 -3.843 -0.769 15.443 1.00 1.68 H new ATOM 936 N ARG A 60 2.417 1.079 13.231 1.00 0.74 N ATOM 937 CA ARG A 60 3.328 1.566 14.286 1.00 0.78 C ATOM 938 C ARG A 60 4.168 2.772 13.823 1.00 1.20 C ATOM 939 O ARG A 60 4.549 3.601 14.652 1.00 1.24 O ATOM 940 CB ARG A 60 4.311 0.470 14.735 1.00 0.81 C ATOM 941 CG ARG A 60 3.779 -0.647 15.642 1.00 1.01 C ATOM 942 CD ARG A 60 4.933 -1.552 16.132 1.00 2.25 C ATOM 943 NE ARG A 60 5.802 -2.067 15.047 1.00 4.05 N ATOM 944 CZ ARG A 60 5.826 -3.294 14.532 1.00 5.71 C ATOM 945 NH1 ARG A 60 4.950 -4.215 14.858 1.00 6.23 N ATOM 946 NH2 ARG A 60 6.751 -3.619 13.657 1.00 7.52 N ATOM 0 H ARG A 60 2.669 0.164 12.858 1.00 0.74 H new ATOM 0 HA ARG A 60 2.681 1.862 15.112 1.00 0.78 H new ATOM 0 HB2 ARG A 60 4.724 0.005 13.840 1.00 0.81 H new ATOM 0 HB3 ARG A 60 5.138 0.955 15.253 1.00 0.81 H new ATOM 0 HG2 ARG A 60 3.263 -0.212 16.498 1.00 1.01 H new ATOM 0 HG3 ARG A 60 3.047 -1.245 15.099 1.00 1.01 H new ATOM 0 HD2 ARG A 60 5.546 -0.991 16.838 1.00 2.25 H new ATOM 0 HD3 ARG A 60 4.511 -2.397 16.677 1.00 2.25 H new ATOM 0 HE ARG A 60 6.462 -1.400 14.647 1.00 4.05 H new ATOM 0 HH11 ARG A 60 4.213 -4.003 15.531 1.00 6.23 H new ATOM 0 HH12 ARG A 60 5.006 -5.143 14.439 1.00 6.23 H new ATOM 0 HH21 ARG A 60 7.449 -2.931 13.374 1.00 7.52 H new ATOM 0 HH22 ARG A 60 6.771 -4.559 13.261 1.00 7.52 H new ATOM 960 N ALA A 61 4.554 2.818 12.546 1.00 0.93 N ATOM 961 CA ALA A 61 5.250 3.948 11.945 1.00 1.09 C ATOM 962 C ALA A 61 4.307 5.131 11.690 1.00 1.24 C ATOM 963 O ALA A 61 4.473 6.222 12.221 1.00 1.20 O ATOM 964 CB ALA A 61 5.927 3.460 10.655 1.00 1.33 C ATOM 0 H ALA A 61 4.386 2.054 11.892 1.00 0.93 H new ATOM 0 HA ALA A 61 6.007 4.322 12.634 1.00 1.09 H new ATOM 0 HB1 ALA A 61 6.456 4.289 10.185 1.00 1.33 H new ATOM 0 HB2 ALA A 61 6.635 2.667 10.894 1.00 1.33 H new ATOM 0 HB3 ALA A 61 5.171 3.077 9.970 1.00 1.33 H new ATOM 970 N TYR A 62 3.297 4.892 10.862 1.00 1.55 N ATOM 971 CA TYR A 62 2.506 5.913 10.184 1.00 2.24 C ATOM 972 C TYR A 62 1.663 6.753 11.147 1.00 2.42 C ATOM 973 O TYR A 62 1.631 7.978 11.050 1.00 2.80 O ATOM 974 CB TYR A 62 1.624 5.170 9.177 1.00 2.70 C ATOM 975 CG TYR A 62 1.239 5.942 7.950 1.00 4.02 C ATOM 976 CD1 TYR A 62 2.227 6.230 6.993 1.00 5.59 C ATOM 977 CD2 TYR A 62 -0.110 6.181 7.673 1.00 4.44 C ATOM 978 CE1 TYR A 62 1.866 6.699 5.717 1.00 7.01 C ATOM 979 CE2 TYR A 62 -0.482 6.589 6.379 1.00 5.90 C ATOM 980 CZ TYR A 62 0.502 6.823 5.391 1.00 7.01 C ATOM 981 OH TYR A 62 0.158 7.116 4.112 1.00 8.52 O ATOM 0 H TYR A 62 2.994 3.945 10.635 1.00 1.55 H new ATOM 0 HA TYR A 62 3.164 6.630 9.693 1.00 2.24 H new ATOM 0 HB2 TYR A 62 2.145 4.265 8.865 1.00 2.70 H new ATOM 0 HB3 TYR A 62 0.713 4.854 9.685 1.00 2.70 H new ATOM 0 HD1 TYR A 62 3.269 6.090 7.239 1.00 5.59 H new ATOM 0 HD2 TYR A 62 -0.857 6.054 8.442 1.00 4.44 H new ATOM 0 HE1 TYR A 62 2.626 6.961 4.996 1.00 7.01 H new ATOM 0 HE2 TYR A 62 -1.526 6.724 6.139 1.00 5.90 H new ATOM 0 HH TYR A 62 -0.700 6.693 3.899 1.00 8.52 H new ATOM 991 N GLU A 63 1.049 6.095 12.132 1.00 2.23 N ATOM 992 CA GLU A 63 0.274 6.763 13.169 1.00 2.73 C ATOM 993 C GLU A 63 1.170 7.554 14.149 1.00 2.54 C ATOM 994 O GLU A 63 0.666 8.371 14.909 1.00 3.10 O ATOM 995 CB GLU A 63 -0.633 5.771 13.915 1.00 3.06 C ATOM 996 CG GLU A 63 -1.464 4.813 13.043 1.00 3.41 C ATOM 997 CD GLU A 63 -2.322 5.471 11.966 1.00 5.83 C ATOM 998 OE1 GLU A 63 -2.770 6.621 12.140 1.00 6.97 O ATOM 999 OE2 GLU A 63 -2.664 4.751 11.000 1.00 6.88 O ATOM 0 H GLU A 63 1.078 5.080 12.230 1.00 2.23 H new ATOM 0 HA GLU A 63 -0.366 7.490 12.669 1.00 2.73 H new ATOM 0 HB2 GLU A 63 -0.010 5.173 14.581 1.00 3.06 H new ATOM 0 HB3 GLU A 63 -1.317 6.340 14.544 1.00 3.06 H new ATOM 0 HG2 GLU A 63 -0.785 4.110 12.561 1.00 3.41 H new ATOM 0 HG3 GLU A 63 -2.116 4.231 13.695 1.00 3.41 H new ATOM 1006 N LYS A 64 2.496 7.324 14.172 1.00 1.79 N ATOM 1007 CA LYS A 64 3.471 8.079 14.965 1.00 1.62 C ATOM 1008 C LYS A 64 4.109 9.261 14.178 1.00 1.79 C ATOM 1009 O LYS A 64 5.107 9.844 14.608 1.00 1.93 O ATOM 1010 CB LYS A 64 4.511 7.057 15.449 1.00 1.31 C ATOM 1011 CG LYS A 64 5.297 7.530 16.680 1.00 1.83 C ATOM 1012 CD LYS A 64 6.720 6.974 16.642 1.00 2.03 C ATOM 1013 CE LYS A 64 6.792 5.484 17.003 1.00 2.92 C ATOM 1014 NZ LYS A 64 7.039 4.637 15.817 1.00 4.27 N ATOM 0 H LYS A 64 2.927 6.583 13.620 1.00 1.79 H new ATOM 0 HA LYS A 64 2.984 8.565 15.810 1.00 1.62 H new ATOM 0 HB2 LYS A 64 4.007 6.120 15.686 1.00 1.31 H new ATOM 0 HB3 LYS A 64 5.209 6.847 14.639 1.00 1.31 H new ATOM 0 HG2 LYS A 64 5.325 8.619 16.706 1.00 1.83 H new ATOM 0 HG3 LYS A 64 4.794 7.202 17.590 1.00 1.83 H new ATOM 0 HD2 LYS A 64 7.135 7.121 15.645 1.00 2.03 H new ATOM 0 HD3 LYS A 64 7.344 7.540 17.334 1.00 2.03 H new ATOM 0 HE2 LYS A 64 7.586 5.326 17.733 1.00 2.92 H new ATOM 0 HE3 LYS A 64 5.859 5.180 17.477 1.00 2.92 H new ATOM 0 HZ1 LYS A 64 7.181 3.652 16.118 1.00 4.27 H new ATOM 0 HZ2 LYS A 64 6.221 4.689 15.177 1.00 4.27 H new ATOM 0 HZ3 LYS A 64 7.889 4.974 15.321 1.00 4.27 H new ATOM 1028 N LEU A 65 3.578 9.612 12.998 1.00 1.85 N ATOM 1029 CA LEU A 65 3.880 10.872 12.300 1.00 2.03 C ATOM 1030 C LEU A 65 3.388 12.093 13.119 1.00 2.28 C ATOM 1031 O LEU A 65 2.584 11.916 14.033 1.00 2.30 O ATOM 1032 CB LEU A 65 3.229 10.813 10.901 1.00 2.04 C ATOM 1033 CG LEU A 65 3.920 9.867 9.898 1.00 2.22 C ATOM 1034 CD1 LEU A 65 3.073 9.788 8.619 1.00 2.63 C ATOM 1035 CD2 LEU A 65 5.339 10.334 9.538 1.00 2.41 C ATOM 0 H LEU A 65 2.917 9.021 12.494 1.00 1.85 H new ATOM 0 HA LEU A 65 4.958 10.994 12.190 1.00 2.03 H new ATOM 0 HB2 LEU A 65 2.190 10.502 11.013 1.00 2.04 H new ATOM 0 HB3 LEU A 65 3.217 11.818 10.480 1.00 2.04 H new ATOM 0 HG LEU A 65 4.006 8.888 10.369 1.00 2.22 H new ATOM 0 HD11 LEU A 65 3.555 9.121 7.904 1.00 2.63 H new ATOM 0 HD12 LEU A 65 2.082 9.405 8.862 1.00 2.63 H new ATOM 0 HD13 LEU A 65 2.980 10.782 8.182 1.00 2.63 H new ATOM 0 HD21 LEU A 65 5.783 9.635 8.829 1.00 2.41 H new ATOM 0 HD22 LEU A 65 5.293 11.326 9.089 1.00 2.41 H new ATOM 0 HD23 LEU A 65 5.949 10.373 10.440 1.00 2.41 H new ATOM 1047 N PRO A 66 3.840 13.335 12.836 1.00 2.57 N ATOM 1048 CA PRO A 66 3.335 14.521 13.511 1.00 2.76 C ATOM 1049 C PRO A 66 1.947 14.885 12.972 1.00 2.68 C ATOM 1050 O PRO A 66 1.646 14.564 11.817 1.00 2.52 O ATOM 1051 CB PRO A 66 4.336 15.638 13.208 1.00 3.15 C ATOM 1052 CG PRO A 66 4.851 15.262 11.824 1.00 3.08 C ATOM 1053 CD PRO A 66 4.830 13.731 11.846 1.00 2.83 C ATOM 0 HA PRO A 66 3.234 14.360 14.584 1.00 2.76 H new ATOM 0 HB2 PRO A 66 3.861 16.619 13.210 1.00 3.15 H new ATOM 0 HB3 PRO A 66 5.140 15.672 13.944 1.00 3.15 H new ATOM 0 HG2 PRO A 66 4.214 15.662 11.035 1.00 3.08 H new ATOM 0 HG3 PRO A 66 5.855 15.648 11.649 1.00 3.08 H new ATOM 0 HD2 PRO A 66 4.574 13.334 10.864 1.00 2.83 H new ATOM 0 HD3 PRO A 66 5.813 13.335 12.103 1.00 2.83 H new ATOM 1061 N PRO A 67 1.148 15.651 13.744 1.00 2.83 N ATOM 1062 CA PRO A 67 -0.174 16.093 13.325 1.00 2.90 C ATOM 1063 C PRO A 67 -0.149 16.806 11.972 1.00 3.06 C ATOM 1064 O PRO A 67 -1.076 16.624 11.195 1.00 2.98 O ATOM 1065 CB PRO A 67 -0.710 16.984 14.452 1.00 3.34 C ATOM 1066 CG PRO A 67 0.533 17.382 15.241 1.00 3.50 C ATOM 1067 CD PRO A 67 1.445 16.169 15.071 1.00 3.15 C ATOM 0 HA PRO A 67 -0.834 15.240 13.166 1.00 2.90 H new ATOM 0 HB2 PRO A 67 -1.227 17.858 14.056 1.00 3.34 H new ATOM 0 HB3 PRO A 67 -1.424 16.448 15.078 1.00 3.34 H new ATOM 0 HG2 PRO A 67 0.989 18.290 14.846 1.00 3.50 H new ATOM 0 HG3 PRO A 67 0.303 17.571 16.290 1.00 3.50 H new ATOM 0 HD2 PRO A 67 2.494 16.450 15.158 1.00 3.15 H new ATOM 0 HD3 PRO A 67 1.251 15.420 15.839 1.00 3.15 H new ATOM 1075 N LYS A 68 0.936 17.525 11.636 1.00 3.00 N ATOM 1076 CA LYS A 68 1.021 18.307 10.397 1.00 3.06 C ATOM 1077 C LYS A 68 1.106 17.413 9.146 1.00 2.92 C ATOM 1078 O LYS A 68 0.593 17.769 8.087 1.00 2.85 O ATOM 1079 CB LYS A 68 2.241 19.230 10.541 1.00 3.51 C ATOM 1080 CG LYS A 68 2.451 20.250 9.414 1.00 5.09 C ATOM 1081 CD LYS A 68 1.317 21.286 9.268 1.00 4.68 C ATOM 1082 CE LYS A 68 0.456 21.023 8.027 1.00 5.48 C ATOM 1083 NZ LYS A 68 -0.792 21.817 8.046 1.00 5.08 N ATOM 0 H LYS A 68 1.774 17.578 12.215 1.00 3.00 H new ATOM 0 HA LYS A 68 0.114 18.895 10.253 1.00 3.06 H new ATOM 0 HB2 LYS A 68 2.152 19.772 11.482 1.00 3.51 H new ATOM 0 HB3 LYS A 68 3.134 18.610 10.613 1.00 3.51 H new ATOM 0 HG2 LYS A 68 3.388 20.778 9.590 1.00 5.09 H new ATOM 0 HG3 LYS A 68 2.559 19.714 8.471 1.00 5.09 H new ATOM 0 HD2 LYS A 68 0.688 21.263 10.158 1.00 4.68 H new ATOM 0 HD3 LYS A 68 1.745 22.286 9.207 1.00 4.68 H new ATOM 0 HE2 LYS A 68 1.027 21.265 7.131 1.00 5.48 H new ATOM 0 HE3 LYS A 68 0.211 19.962 7.973 1.00 5.48 H new ATOM 0 HZ1 LYS A 68 -1.515 21.340 7.470 1.00 5.08 H new ATOM 0 HZ2 LYS A 68 -1.132 21.906 9.025 1.00 5.08 H new ATOM 0 HZ3 LYS A 68 -0.607 22.763 7.656 1.00 5.08 H new ATOM 1097 N ALA A 69 1.732 16.240 9.278 1.00 2.62 N ATOM 1098 CA ALA A 69 1.630 15.160 8.303 1.00 2.34 C ATOM 1099 C ALA A 69 0.254 14.474 8.369 1.00 1.99 C ATOM 1100 O ALA A 69 -0.369 14.256 7.340 1.00 1.99 O ATOM 1101 CB ALA A 69 2.772 14.170 8.544 1.00 2.47 C ATOM 0 H ALA A 69 2.329 16.015 10.074 1.00 2.62 H new ATOM 0 HA ALA A 69 1.720 15.568 7.296 1.00 2.34 H new ATOM 0 HB1 ALA A 69 2.707 13.357 7.821 1.00 2.47 H new ATOM 0 HB2 ALA A 69 3.728 14.682 8.430 1.00 2.47 H new ATOM 0 HB3 ALA A 69 2.696 13.765 9.553 1.00 2.47 H new ATOM 1107 N GLN A 70 -0.233 14.146 9.572 1.00 1.75 N ATOM 1108 CA GLN A 70 -1.421 13.304 9.769 1.00 1.46 C ATOM 1109 C GLN A 70 -2.705 13.899 9.165 1.00 1.44 C ATOM 1110 O GLN A 70 -3.523 13.127 8.667 1.00 1.71 O ATOM 1111 CB GLN A 70 -1.607 12.964 11.255 1.00 1.70 C ATOM 1112 CG GLN A 70 -0.530 11.991 11.776 1.00 2.60 C ATOM 1113 CD GLN A 70 -0.521 11.896 13.300 1.00 3.22 C ATOM 1114 OE1 GLN A 70 -0.406 12.891 13.999 1.00 4.26 O ATOM 1115 NE2 GLN A 70 -0.652 10.722 13.868 1.00 3.66 N ATOM 0 H GLN A 70 0.190 14.460 10.445 1.00 1.75 H new ATOM 0 HA GLN A 70 -1.237 12.382 9.218 1.00 1.46 H new ATOM 0 HB2 GLN A 70 -1.577 13.882 11.841 1.00 1.70 H new ATOM 0 HB3 GLN A 70 -2.593 12.523 11.403 1.00 1.70 H new ATOM 0 HG2 GLN A 70 -0.703 11.001 11.354 1.00 2.60 H new ATOM 0 HG3 GLN A 70 0.450 12.318 11.429 1.00 2.60 H new ATOM 0 HE21 GLN A 70 -0.749 9.885 13.293 1.00 3.66 H new ATOM 0 HE22 GLN A 70 -0.657 10.645 14.885 1.00 3.66 H new ATOM 1124 N GLU A 71 -2.835 15.234 9.068 1.00 1.47 N ATOM 1125 CA GLU A 71 -3.901 15.923 8.297 1.00 1.52 C ATOM 1126 C GLU A 71 -4.107 15.325 6.897 1.00 1.59 C ATOM 1127 O GLU A 71 -5.198 15.390 6.329 1.00 1.93 O ATOM 1128 CB GLU A 71 -3.594 17.421 8.058 1.00 1.74 C ATOM 1129 CG GLU A 71 -2.810 18.112 9.170 1.00 2.09 C ATOM 1130 CD GLU A 71 -2.597 19.608 8.947 1.00 2.76 C ATOM 1131 OE1 GLU A 71 -2.777 20.098 7.810 1.00 3.55 O ATOM 1132 OE2 GLU A 71 -2.051 20.268 9.863 1.00 3.44 O ATOM 0 H GLU A 71 -2.195 15.881 9.529 1.00 1.47 H new ATOM 0 HA GLU A 71 -4.788 15.793 8.917 1.00 1.52 H new ATOM 0 HB2 GLU A 71 -3.034 17.516 7.128 1.00 1.74 H new ATOM 0 HB3 GLU A 71 -4.537 17.950 7.918 1.00 1.74 H new ATOM 0 HG2 GLU A 71 -3.336 17.968 10.114 1.00 2.09 H new ATOM 0 HG3 GLU A 71 -1.838 17.628 9.269 1.00 2.09 H new ATOM 1139 N ARG A 72 -3.030 14.769 6.327 1.00 1.38 N ATOM 1140 CA ARG A 72 -3.012 14.149 5.012 1.00 1.76 C ATOM 1141 C ARG A 72 -2.643 12.651 4.957 1.00 1.83 C ATOM 1142 O ARG A 72 -2.194 12.230 3.892 1.00 1.97 O ATOM 1143 CB ARG A 72 -2.190 14.986 4.033 1.00 2.49 C ATOM 1144 CG ARG A 72 -0.692 15.074 4.286 1.00 2.21 C ATOM 1145 CD ARG A 72 -0.285 16.407 4.912 1.00 2.21 C ATOM 1146 NE ARG A 72 0.612 17.129 3.988 1.00 2.74 N ATOM 1147 CZ ARG A 72 0.266 17.623 2.805 1.00 3.90 C ATOM 1148 NH1 ARG A 72 -0.981 17.912 2.488 1.00 4.90 N ATOM 1149 NH2 ARG A 72 1.209 17.777 1.912 1.00 4.73 N ATOM 0 H ARG A 72 -2.122 14.742 6.790 1.00 1.38 H new ATOM 0 HA ARG A 72 -4.057 14.144 4.700 1.00 1.76 H new ATOM 0 HB2 ARG A 72 -2.341 14.582 3.032 1.00 2.49 H new ATOM 0 HB3 ARG A 72 -2.593 15.999 4.032 1.00 2.49 H new ATOM 0 HG2 ARG A 72 -0.389 14.259 4.943 1.00 2.21 H new ATOM 0 HG3 ARG A 72 -0.159 14.940 3.345 1.00 2.21 H new ATOM 0 HD2 ARG A 72 -1.170 17.008 5.121 1.00 2.21 H new ATOM 0 HD3 ARG A 72 0.217 16.236 5.864 1.00 2.21 H new ATOM 0 HE ARG A 72 1.580 17.259 4.283 1.00 2.74 H new ATOM 0 HH11 ARG A 72 -1.728 17.758 3.165 1.00 4.90 H new ATOM 0 HH12 ARG A 72 -1.198 18.290 1.566 1.00 4.90 H new ATOM 0 HH21 ARG A 72 2.170 17.521 2.136 1.00 4.73 H new ATOM 0 HH22 ARG A 72 0.983 18.154 0.991 1.00 4.73 H new ATOM 1163 N VAL A 73 -2.799 11.837 6.007 1.00 1.52 N ATOM 1164 CA VAL A 73 -2.429 10.389 5.936 1.00 1.50 C ATOM 1165 C VAL A 73 -3.615 9.432 5.682 1.00 1.72 C ATOM 1166 O VAL A 73 -4.623 9.504 6.375 1.00 2.10 O ATOM 1167 CB VAL A 73 -1.596 9.893 7.146 1.00 1.66 C ATOM 1168 CG1 VAL A 73 -0.287 10.684 7.268 1.00 2.33 C ATOM 1169 CG2 VAL A 73 -2.337 9.853 8.492 1.00 3.56 C ATOM 0 H VAL A 73 -3.171 12.134 6.909 1.00 1.52 H new ATOM 0 HA VAL A 73 -1.792 10.351 5.052 1.00 1.50 H new ATOM 0 HB VAL A 73 -1.382 8.848 6.920 1.00 1.66 H new ATOM 0 HG11 VAL A 73 0.281 10.318 8.124 1.00 2.33 H new ATOM 0 HG12 VAL A 73 0.302 10.555 6.360 1.00 2.33 H new ATOM 0 HG13 VAL A 73 -0.512 11.741 7.407 1.00 2.33 H new ATOM 0 HG21 VAL A 73 -1.662 9.492 9.268 1.00 3.56 H new ATOM 0 HG22 VAL A 73 -2.681 10.855 8.748 1.00 3.56 H new ATOM 0 HG23 VAL A 73 -3.194 9.184 8.416 1.00 3.56 H new ATOM 1179 N GLN A 74 -3.458 8.482 4.744 1.00 1.21 N ATOM 1180 CA GLN A 74 -4.138 7.170 4.768 1.00 1.06 C ATOM 1181 C GLN A 74 -3.180 6.077 4.258 1.00 1.08 C ATOM 1182 O GLN A 74 -2.328 6.368 3.419 1.00 1.22 O ATOM 1183 CB GLN A 74 -5.414 7.143 3.901 1.00 1.57 C ATOM 1184 CG GLN A 74 -6.685 7.595 4.638 1.00 1.98 C ATOM 1185 CD GLN A 74 -7.985 7.270 3.883 1.00 2.98 C ATOM 1186 OE1 GLN A 74 -8.027 6.639 2.842 1.00 4.14 O ATOM 1187 NE2 GLN A 74 -9.131 7.707 4.367 1.00 3.70 N ATOM 0 H GLN A 74 -2.848 8.603 3.936 1.00 1.21 H new ATOM 0 HA GLN A 74 -4.428 6.987 5.803 1.00 1.06 H new ATOM 0 HB2 GLN A 74 -5.263 7.784 3.032 1.00 1.57 H new ATOM 0 HB3 GLN A 74 -5.565 6.130 3.527 1.00 1.57 H new ATOM 0 HG2 GLN A 74 -6.715 7.118 5.618 1.00 1.98 H new ATOM 0 HG3 GLN A 74 -6.633 8.670 4.808 1.00 1.98 H new ATOM 0 HE21 GLN A 74 -9.147 8.240 5.236 1.00 3.70 H new ATOM 0 HE22 GLN A 74 -10.001 7.512 3.872 1.00 3.70 H new ATOM 1196 N VAL A 75 -3.326 4.830 4.730 1.00 0.80 N ATOM 1197 CA VAL A 75 -2.659 3.647 4.132 1.00 0.71 C ATOM 1198 C VAL A 75 -3.652 2.895 3.244 1.00 0.81 C ATOM 1199 O VAL A 75 -4.748 2.549 3.683 1.00 1.17 O ATOM 1200 CB VAL A 75 -2.067 2.673 5.179 1.00 0.85 C ATOM 1201 CG1 VAL A 75 -1.389 1.452 4.525 1.00 0.89 C ATOM 1202 CG2 VAL A 75 -1.028 3.377 6.061 1.00 1.11 C ATOM 0 H VAL A 75 -3.908 4.605 5.537 1.00 0.80 H new ATOM 0 HA VAL A 75 -1.821 4.026 3.548 1.00 0.71 H new ATOM 0 HB VAL A 75 -2.909 2.333 5.782 1.00 0.85 H new ATOM 0 HG11 VAL A 75 -0.990 0.799 5.301 1.00 0.89 H new ATOM 0 HG12 VAL A 75 -2.121 0.904 3.931 1.00 0.89 H new ATOM 0 HG13 VAL A 75 -0.577 1.789 3.881 1.00 0.89 H new ATOM 0 HG21 VAL A 75 -0.628 2.670 6.788 1.00 1.11 H new ATOM 0 HG22 VAL A 75 -0.217 3.754 5.438 1.00 1.11 H new ATOM 0 HG23 VAL A 75 -1.499 4.208 6.585 1.00 1.11 H new ATOM 1212 N ILE A 76 -3.265 2.615 1.998 1.00 0.61 N ATOM 1213 CA ILE A 76 -4.126 1.971 0.997 1.00 0.59 C ATOM 1214 C ILE A 76 -3.612 0.559 0.676 1.00 0.76 C ATOM 1215 O ILE A 76 -2.483 0.366 0.222 1.00 1.04 O ATOM 1216 CB ILE A 76 -4.240 2.871 -0.252 1.00 0.67 C ATOM 1217 CG1 ILE A 76 -4.732 4.307 0.066 1.00 1.05 C ATOM 1218 CG2 ILE A 76 -5.169 2.213 -1.284 1.00 0.70 C ATOM 1219 CD1 ILE A 76 -6.098 4.435 0.750 1.00 1.38 C ATOM 0 H ILE A 76 -2.332 2.831 1.648 1.00 0.61 H new ATOM 0 HA ILE A 76 -5.133 1.849 1.397 1.00 0.59 H new ATOM 0 HB ILE A 76 -3.234 2.972 -0.658 1.00 0.67 H new ATOM 0 HG12 ILE A 76 -3.988 4.788 0.701 1.00 1.05 H new ATOM 0 HG13 ILE A 76 -4.766 4.869 -0.867 1.00 1.05 H new ATOM 0 HG21 ILE A 76 -5.246 2.852 -2.164 1.00 0.70 H new ATOM 0 HG22 ILE A 76 -4.762 1.244 -1.574 1.00 0.70 H new ATOM 0 HG23 ILE A 76 -6.158 2.075 -0.848 1.00 0.70 H new ATOM 0 HD11 ILE A 76 -6.324 5.488 0.917 1.00 1.38 H new ATOM 0 HD12 ILE A 76 -6.866 3.995 0.114 1.00 1.38 H new ATOM 0 HD13 ILE A 76 -6.076 3.913 1.707 1.00 1.38 H new ATOM 1231 N PHE A 77 -4.458 -0.442 0.920 1.00 0.58 N ATOM 1232 CA PHE A 77 -4.157 -1.860 0.747 1.00 0.52 C ATOM 1233 C PHE A 77 -4.914 -2.390 -0.473 1.00 1.35 C ATOM 1234 O PHE A 77 -6.142 -2.412 -0.463 1.00 1.72 O ATOM 1235 CB PHE A 77 -4.556 -2.584 2.042 1.00 0.56 C ATOM 1236 CG PHE A 77 -4.360 -4.085 2.016 1.00 0.69 C ATOM 1237 CD1 PHE A 77 -3.081 -4.624 2.243 1.00 2.13 C ATOM 1238 CD2 PHE A 77 -5.450 -4.944 1.779 1.00 1.54 C ATOM 1239 CE1 PHE A 77 -2.894 -6.017 2.256 1.00 2.00 C ATOM 1240 CE2 PHE A 77 -5.260 -6.337 1.785 1.00 1.63 C ATOM 1241 CZ PHE A 77 -3.987 -6.876 2.032 1.00 1.02 C ATOM 0 H PHE A 77 -5.407 -0.279 1.256 1.00 0.58 H new ATOM 0 HA PHE A 77 -3.096 -2.030 0.566 1.00 0.52 H new ATOM 0 HB2 PHE A 77 -3.976 -2.170 2.867 1.00 0.56 H new ATOM 0 HB3 PHE A 77 -5.604 -2.372 2.252 1.00 0.56 H new ATOM 0 HD1 PHE A 77 -2.241 -3.966 2.408 1.00 2.13 H new ATOM 0 HD2 PHE A 77 -6.431 -4.533 1.593 1.00 1.54 H new ATOM 0 HE1 PHE A 77 -1.912 -6.428 2.438 1.00 2.00 H new ATOM 0 HE2 PHE A 77 -6.096 -6.995 1.599 1.00 1.63 H new ATOM 0 HZ PHE A 77 -3.847 -7.947 2.050 1.00 1.02 H new ATOM 1251 N VAL A 78 -4.201 -2.810 -1.518 1.00 0.49 N ATOM 1252 CA VAL A 78 -4.817 -3.394 -2.724 1.00 0.50 C ATOM 1253 C VAL A 78 -4.717 -4.918 -2.653 1.00 0.82 C ATOM 1254 O VAL A 78 -3.625 -5.478 -2.561 1.00 1.05 O ATOM 1255 CB VAL A 78 -4.215 -2.829 -4.032 1.00 0.60 C ATOM 1256 CG1 VAL A 78 -4.835 -3.477 -5.282 1.00 1.11 C ATOM 1257 CG2 VAL A 78 -4.452 -1.307 -4.096 1.00 1.01 C ATOM 0 H VAL A 78 -3.183 -2.758 -1.559 1.00 0.49 H new ATOM 0 HA VAL A 78 -5.869 -3.110 -2.746 1.00 0.50 H new ATOM 0 HB VAL A 78 -3.149 -3.055 -4.023 1.00 0.60 H new ATOM 0 HG11 VAL A 78 -4.382 -3.049 -6.176 1.00 1.11 H new ATOM 0 HG12 VAL A 78 -4.654 -4.552 -5.262 1.00 1.11 H new ATOM 0 HG13 VAL A 78 -5.909 -3.290 -5.294 1.00 1.11 H new ATOM 0 HG21 VAL A 78 -4.027 -0.911 -5.018 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -5.523 -1.104 -4.073 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.974 -0.828 -3.241 1.00 1.01 H new ATOM 1267 N SER A 79 -5.866 -5.586 -2.694 1.00 0.59 N ATOM 1268 CA SER A 79 -5.960 -7.045 -2.693 1.00 0.72 C ATOM 1269 C SER A 79 -5.688 -7.666 -4.075 1.00 0.89 C ATOM 1270 O SER A 79 -6.105 -7.141 -5.108 1.00 1.24 O ATOM 1271 CB SER A 79 -7.308 -7.510 -2.147 1.00 1.18 C ATOM 1272 OG SER A 79 -7.286 -7.532 -0.729 1.00 2.92 O ATOM 0 H SER A 79 -6.774 -5.122 -2.729 1.00 0.59 H new ATOM 0 HA SER A 79 -5.172 -7.401 -2.029 1.00 0.72 H new ATOM 0 HB2 SER A 79 -8.098 -6.844 -2.495 1.00 1.18 H new ATOM 0 HB3 SER A 79 -7.539 -8.504 -2.529 1.00 1.18 H new ATOM 0 HG SER A 79 -6.977 -8.409 -0.420 1.00 2.92 H new ATOM 1278 N VAL A 80 -5.000 -8.815 -4.082 1.00 0.86 N ATOM 1279 CA VAL A 80 -4.322 -9.378 -5.278 1.00 0.93 C ATOM 1280 C VAL A 80 -4.759 -10.823 -5.595 1.00 1.61 C ATOM 1281 O VAL A 80 -4.191 -11.499 -6.449 1.00 2.05 O ATOM 1282 CB VAL A 80 -2.788 -9.209 -5.134 1.00 0.78 C ATOM 1283 CG1 VAL A 80 -2.126 -10.324 -4.312 1.00 2.54 C ATOM 1284 CG2 VAL A 80 -2.078 -9.080 -6.490 1.00 2.07 C ATOM 0 H VAL A 80 -4.892 -9.395 -3.250 1.00 0.86 H new ATOM 0 HA VAL A 80 -4.638 -8.811 -6.153 1.00 0.93 H new ATOM 0 HB VAL A 80 -2.668 -8.274 -4.586 1.00 0.78 H new ATOM 0 HG11 VAL A 80 -1.053 -10.143 -4.251 1.00 2.54 H new ATOM 0 HG12 VAL A 80 -2.549 -10.336 -3.308 1.00 2.54 H new ATOM 0 HG13 VAL A 80 -2.305 -11.286 -4.793 1.00 2.54 H new ATOM 0 HG21 VAL A 80 -1.006 -8.964 -6.330 1.00 2.07 H new ATOM 0 HG22 VAL A 80 -2.261 -9.976 -7.083 1.00 2.07 H new ATOM 0 HG23 VAL A 80 -2.462 -8.209 -7.020 1.00 2.07 H new ATOM 1294 N ASP A 81 -5.814 -11.282 -4.918 1.00 1.26 N ATOM 1295 CA ASP A 81 -6.574 -12.503 -5.224 1.00 1.47 C ATOM 1296 C ASP A 81 -8.084 -12.144 -5.227 1.00 1.44 C ATOM 1297 O ASP A 81 -8.829 -12.621 -4.371 1.00 1.62 O ATOM 1298 CB ASP A 81 -6.182 -13.608 -4.211 1.00 1.68 C ATOM 1299 CG ASP A 81 -6.639 -15.023 -4.603 1.00 2.29 C ATOM 1300 OD1 ASP A 81 -7.137 -15.213 -5.738 1.00 2.22 O ATOM 1301 OD2 ASP A 81 -6.452 -15.978 -3.807 1.00 3.70 O ATOM 0 H ASP A 81 -6.181 -10.792 -4.103 1.00 1.26 H new ATOM 0 HA ASP A 81 -6.341 -12.903 -6.211 1.00 1.47 H new ATOM 0 HB2 ASP A 81 -5.098 -13.609 -4.095 1.00 1.68 H new ATOM 0 HB3 ASP A 81 -6.607 -13.359 -3.238 1.00 1.68 H new ATOM 1306 N PRO A 82 -8.537 -11.209 -6.091 1.00 1.35 N ATOM 1307 CA PRO A 82 -9.706 -10.368 -5.815 1.00 1.68 C ATOM 1308 C PRO A 82 -11.065 -11.079 -5.888 1.00 1.81 C ATOM 1309 O PRO A 82 -11.983 -10.676 -5.174 1.00 2.44 O ATOM 1310 CB PRO A 82 -9.623 -9.215 -6.821 1.00 1.97 C ATOM 1311 CG PRO A 82 -8.848 -9.815 -7.992 1.00 1.74 C ATOM 1312 CD PRO A 82 -7.845 -10.717 -7.275 1.00 1.48 C ATOM 0 HA PRO A 82 -9.667 -10.037 -4.777 1.00 1.68 H new ATOM 0 HB2 PRO A 82 -10.613 -8.878 -7.127 1.00 1.97 H new ATOM 0 HB3 PRO A 82 -9.108 -8.352 -6.400 1.00 1.97 H new ATOM 0 HG2 PRO A 82 -9.495 -10.377 -8.665 1.00 1.74 H new ATOM 0 HG3 PRO A 82 -8.354 -9.049 -8.590 1.00 1.74 H new ATOM 0 HD2 PRO A 82 -7.531 -11.541 -7.916 1.00 1.48 H new ATOM 0 HD3 PRO A 82 -6.946 -10.164 -7.002 1.00 1.48 H new ATOM 1320 N GLU A 83 -11.196 -12.152 -6.680 1.00 1.29 N ATOM 1321 CA GLU A 83 -12.411 -12.994 -6.743 1.00 1.67 C ATOM 1322 C GLU A 83 -12.606 -13.847 -5.472 1.00 1.67 C ATOM 1323 O GLU A 83 -13.610 -14.544 -5.327 1.00 2.15 O ATOM 1324 CB GLU A 83 -12.417 -13.939 -7.970 1.00 2.05 C ATOM 1325 CG GLU A 83 -11.791 -13.425 -9.277 1.00 2.36 C ATOM 1326 CD GLU A 83 -10.315 -13.807 -9.337 1.00 2.73 C ATOM 1327 OE1 GLU A 83 -9.500 -13.122 -8.676 1.00 3.84 O ATOM 1328 OE2 GLU A 83 -9.963 -14.850 -9.932 1.00 2.57 O ATOM 0 H GLU A 83 -10.455 -12.468 -7.305 1.00 1.29 H new ATOM 0 HA GLU A 83 -13.235 -12.286 -6.831 1.00 1.67 H new ATOM 0 HB2 GLU A 83 -11.898 -14.856 -7.689 1.00 2.05 H new ATOM 0 HB3 GLU A 83 -13.452 -14.210 -8.179 1.00 2.05 H new ATOM 0 HG2 GLU A 83 -12.319 -13.846 -10.133 1.00 2.36 H new ATOM 0 HG3 GLU A 83 -11.897 -12.342 -9.339 1.00 2.36 H new ATOM 1335 N ARG A 84 -11.622 -13.807 -4.570 1.00 1.12 N ATOM 1336 CA ARG A 84 -11.534 -14.571 -3.324 1.00 1.10 C ATOM 1337 C ARG A 84 -11.314 -13.667 -2.103 1.00 1.36 C ATOM 1338 O ARG A 84 -11.719 -14.020 -0.999 1.00 1.57 O ATOM 1339 CB ARG A 84 -10.337 -15.507 -3.488 1.00 1.22 C ATOM 1340 CG ARG A 84 -10.256 -16.634 -2.453 1.00 1.79 C ATOM 1341 CD ARG A 84 -8.833 -17.173 -2.567 1.00 2.38 C ATOM 1342 NE ARG A 84 -8.671 -18.530 -2.035 1.00 3.21 N ATOM 1343 CZ ARG A 84 -7.638 -19.300 -2.359 1.00 4.56 C ATOM 1344 NH1 ARG A 84 -6.586 -18.803 -2.988 1.00 5.52 N ATOM 1345 NH2 ARG A 84 -7.677 -20.586 -2.078 1.00 5.53 N ATOM 0 H ARG A 84 -10.813 -13.200 -4.700 1.00 1.12 H new ATOM 0 HA ARG A 84 -12.467 -15.107 -3.149 1.00 1.10 H new ATOM 0 HB2 ARG A 84 -10.373 -15.949 -4.484 1.00 1.22 H new ATOM 0 HB3 ARG A 84 -9.422 -14.917 -3.434 1.00 1.22 H new ATOM 0 HG2 ARG A 84 -10.458 -16.263 -1.448 1.00 1.79 H new ATOM 0 HG3 ARG A 84 -10.991 -17.412 -2.659 1.00 1.79 H new ATOM 0 HD2 ARG A 84 -8.534 -17.165 -3.615 1.00 2.38 H new ATOM 0 HD3 ARG A 84 -8.156 -16.502 -2.038 1.00 2.38 H new ATOM 0 HE ARG A 84 -9.376 -18.895 -1.394 1.00 3.21 H new ATOM 0 HH11 ARG A 84 -6.559 -17.813 -3.232 1.00 5.52 H new ATOM 0 HH12 ARG A 84 -5.802 -19.410 -3.229 1.00 5.52 H new ATOM 0 HH21 ARG A 84 -8.495 -20.982 -1.616 1.00 5.53 H new ATOM 0 HH22 ARG A 84 -6.889 -21.186 -2.323 1.00 5.53 H new ATOM 1359 N ASP A 85 -10.687 -12.503 -2.287 1.00 0.98 N ATOM 1360 CA ASP A 85 -10.367 -11.496 -1.264 1.00 1.02 C ATOM 1361 C ASP A 85 -11.268 -10.244 -1.458 1.00 1.21 C ATOM 1362 O ASP A 85 -10.755 -9.190 -1.836 1.00 1.54 O ATOM 1363 CB ASP A 85 -8.847 -11.165 -1.357 1.00 1.11 C ATOM 1364 CG ASP A 85 -8.202 -10.734 -0.036 1.00 1.34 C ATOM 1365 OD1 ASP A 85 -8.686 -11.124 1.049 1.00 2.21 O ATOM 1366 OD2 ASP A 85 -7.130 -10.082 -0.098 1.00 2.02 O ATOM 0 H ASP A 85 -10.367 -12.217 -3.213 1.00 0.98 H new ATOM 0 HA ASP A 85 -10.570 -11.875 -0.262 1.00 1.02 H new ATOM 0 HB2 ASP A 85 -8.321 -12.042 -1.733 1.00 1.11 H new ATOM 0 HB3 ASP A 85 -8.707 -10.371 -2.090 1.00 1.11 H new ATOM 1371 N PRO A 86 -12.608 -10.329 -1.296 1.00 0.87 N ATOM 1372 CA PRO A 86 -13.563 -9.308 -1.754 1.00 0.87 C ATOM 1373 C PRO A 86 -13.458 -7.983 -0.976 1.00 0.95 C ATOM 1374 O PRO A 86 -12.927 -7.990 0.136 1.00 0.79 O ATOM 1375 CB PRO A 86 -14.947 -9.950 -1.579 1.00 0.89 C ATOM 1376 CG PRO A 86 -14.738 -10.926 -0.426 1.00 0.88 C ATOM 1377 CD PRO A 86 -13.336 -11.446 -0.717 1.00 0.83 C ATOM 0 HA PRO A 86 -13.359 -9.028 -2.788 1.00 0.87 H new ATOM 0 HB2 PRO A 86 -15.708 -9.206 -1.344 1.00 0.89 H new ATOM 0 HB3 PRO A 86 -15.271 -10.462 -2.485 1.00 0.89 H new ATOM 0 HG2 PRO A 86 -14.799 -10.433 0.544 1.00 0.88 H new ATOM 0 HG3 PRO A 86 -15.480 -11.725 -0.425 1.00 0.88 H new ATOM 0 HD2 PRO A 86 -12.853 -11.796 0.195 1.00 0.83 H new ATOM 0 HD3 PRO A 86 -13.368 -12.290 -1.406 1.00 0.83 H new ATOM 1385 N PRO A 87 -14.004 -6.859 -1.507 1.00 0.67 N ATOM 1386 CA PRO A 87 -13.809 -5.507 -0.973 1.00 0.80 C ATOM 1387 C PRO A 87 -14.086 -5.370 0.521 1.00 1.02 C ATOM 1388 O PRO A 87 -13.311 -4.728 1.215 1.00 0.85 O ATOM 1389 CB PRO A 87 -14.719 -4.570 -1.779 1.00 1.05 C ATOM 1390 CG PRO A 87 -15.521 -5.474 -2.714 1.00 0.92 C ATOM 1391 CD PRO A 87 -14.730 -6.778 -2.767 1.00 0.75 C ATOM 0 HA PRO A 87 -12.755 -5.250 -1.078 1.00 0.80 H new ATOM 0 HB2 PRO A 87 -15.378 -4.004 -1.121 1.00 1.05 H new ATOM 0 HB3 PRO A 87 -14.133 -3.845 -2.343 1.00 1.05 H new ATOM 0 HG2 PRO A 87 -16.530 -5.638 -2.336 1.00 0.92 H new ATOM 0 HG3 PRO A 87 -15.620 -5.031 -3.705 1.00 0.92 H new ATOM 0 HD2 PRO A 87 -15.395 -7.633 -2.890 1.00 0.75 H new ATOM 0 HD3 PRO A 87 -14.044 -6.784 -3.614 1.00 0.75 H new ATOM 1399 N GLU A 88 -15.148 -6.004 1.027 1.00 0.67 N ATOM 1400 CA GLU A 88 -15.463 -6.048 2.456 1.00 0.71 C ATOM 1401 C GLU A 88 -14.374 -6.738 3.282 1.00 1.01 C ATOM 1402 O GLU A 88 -14.019 -6.267 4.352 1.00 1.20 O ATOM 1403 CB GLU A 88 -16.789 -6.811 2.641 1.00 0.97 C ATOM 1404 CG GLU A 88 -18.024 -5.912 2.529 1.00 1.19 C ATOM 1405 CD GLU A 88 -18.351 -5.308 3.891 1.00 2.48 C ATOM 1406 OE1 GLU A 88 -17.470 -4.667 4.498 1.00 3.83 O ATOM 1407 OE2 GLU A 88 -19.454 -5.572 4.409 1.00 3.12 O ATOM 0 H GLU A 88 -15.820 -6.507 0.448 1.00 0.67 H new ATOM 0 HA GLU A 88 -15.537 -5.020 2.811 1.00 0.71 H new ATOM 0 HB2 GLU A 88 -16.854 -7.601 1.893 1.00 0.97 H new ATOM 0 HB3 GLU A 88 -16.788 -7.296 3.617 1.00 0.97 H new ATOM 0 HG2 GLU A 88 -17.843 -5.119 1.804 1.00 1.19 H new ATOM 0 HG3 GLU A 88 -18.873 -6.490 2.164 1.00 1.19 H new ATOM 1414 N VAL A 89 -13.836 -7.866 2.824 1.00 0.60 N ATOM 1415 CA VAL A 89 -12.811 -8.588 3.589 1.00 0.60 C ATOM 1416 C VAL A 89 -11.471 -7.849 3.510 1.00 0.84 C ATOM 1417 O VAL A 89 -10.799 -7.712 4.527 1.00 0.76 O ATOM 1418 CB VAL A 89 -12.697 -10.062 3.136 1.00 0.71 C ATOM 1419 CG1 VAL A 89 -11.552 -10.822 3.826 1.00 0.88 C ATOM 1420 CG2 VAL A 89 -14.013 -10.813 3.418 1.00 1.01 C ATOM 0 H VAL A 89 -14.087 -8.300 1.936 1.00 0.60 H new ATOM 0 HA VAL A 89 -13.114 -8.613 4.636 1.00 0.60 H new ATOM 0 HB VAL A 89 -12.485 -10.029 2.067 1.00 0.71 H new ATOM 0 HG11 VAL A 89 -11.527 -11.850 3.464 1.00 0.88 H new ATOM 0 HG12 VAL A 89 -10.604 -10.335 3.600 1.00 0.88 H new ATOM 0 HG13 VAL A 89 -11.712 -10.821 4.904 1.00 0.88 H new ATOM 0 HG21 VAL A 89 -13.917 -11.849 3.094 1.00 1.01 H new ATOM 0 HG22 VAL A 89 -14.226 -10.785 4.487 1.00 1.01 H new ATOM 0 HG23 VAL A 89 -14.828 -10.336 2.873 1.00 1.01 H new ATOM 1430 N ALA A 90 -11.113 -7.334 2.325 1.00 0.52 N ATOM 1431 CA ALA A 90 -9.946 -6.482 2.115 1.00 0.59 C ATOM 1432 C ALA A 90 -9.966 -5.246 3.034 1.00 0.79 C ATOM 1433 O ALA A 90 -8.991 -4.994 3.744 1.00 0.88 O ATOM 1434 CB ALA A 90 -9.907 -6.123 0.621 1.00 0.70 C ATOM 0 H ALA A 90 -11.642 -7.505 1.470 1.00 0.52 H new ATOM 0 HA ALA A 90 -9.030 -7.008 2.384 1.00 0.59 H new ATOM 0 HB1 ALA A 90 -9.046 -5.485 0.423 1.00 0.70 H new ATOM 0 HB2 ALA A 90 -9.827 -7.035 0.030 1.00 0.70 H new ATOM 0 HB3 ALA A 90 -10.821 -5.594 0.350 1.00 0.70 H new ATOM 1440 N ASP A 91 -11.083 -4.516 3.070 1.00 0.56 N ATOM 1441 CA ASP A 91 -11.231 -3.317 3.901 1.00 0.60 C ATOM 1442 C ASP A 91 -11.257 -3.618 5.393 1.00 0.95 C ATOM 1443 O ASP A 91 -10.434 -3.054 6.105 1.00 1.05 O ATOM 1444 CB ASP A 91 -12.466 -2.517 3.499 1.00 0.61 C ATOM 1445 CG ASP A 91 -12.593 -1.269 4.379 1.00 0.68 C ATOM 1446 OD1 ASP A 91 -11.764 -0.335 4.258 1.00 1.81 O ATOM 1447 OD2 ASP A 91 -13.468 -1.259 5.271 1.00 1.76 O ATOM 0 H ASP A 91 -11.914 -4.740 2.522 1.00 0.56 H new ATOM 0 HA ASP A 91 -10.341 -2.715 3.717 1.00 0.60 H new ATOM 0 HB2 ASP A 91 -12.396 -2.227 2.451 1.00 0.61 H new ATOM 0 HB3 ASP A 91 -13.358 -3.135 3.600 1.00 0.61 H new ATOM 1452 N ARG A 92 -12.151 -4.492 5.880 1.00 0.72 N ATOM 1453 CA ARG A 92 -12.264 -4.800 7.321 1.00 0.86 C ATOM 1454 C ARG A 92 -10.941 -5.292 7.892 1.00 1.21 C ATOM 1455 O ARG A 92 -10.595 -4.999 9.032 1.00 1.46 O ATOM 1456 CB ARG A 92 -13.329 -5.876 7.563 1.00 1.08 C ATOM 1457 CG ARG A 92 -14.705 -5.328 7.200 1.00 1.89 C ATOM 1458 CD ARG A 92 -15.828 -6.358 7.371 1.00 1.68 C ATOM 1459 NE ARG A 92 -17.148 -5.800 7.018 1.00 2.84 N ATOM 1460 CZ ARG A 92 -18.293 -5.852 7.694 1.00 3.54 C ATOM 1461 NH1 ARG A 92 -18.371 -6.299 8.933 1.00 3.54 N ATOM 1462 NH2 ARG A 92 -19.408 -5.459 7.124 1.00 4.83 N ATOM 0 H ARG A 92 -12.812 -5.003 5.295 1.00 0.72 H new ATOM 0 HA ARG A 92 -12.548 -3.875 7.822 1.00 0.86 H new ATOM 0 HB2 ARG A 92 -13.109 -6.760 6.964 1.00 1.08 H new ATOM 0 HB3 ARG A 92 -13.315 -6.187 8.608 1.00 1.08 H new ATOM 0 HG2 ARG A 92 -14.919 -4.459 7.823 1.00 1.89 H new ATOM 0 HG3 ARG A 92 -14.691 -4.983 6.166 1.00 1.89 H new ATOM 0 HD2 ARG A 92 -15.622 -7.226 6.745 1.00 1.68 H new ATOM 0 HD3 ARG A 92 -15.846 -6.707 8.404 1.00 1.68 H new ATOM 0 HE ARG A 92 -17.188 -5.303 6.128 1.00 2.84 H new ATOM 0 HH11 ARG A 92 -17.531 -6.623 9.412 1.00 3.54 H new ATOM 0 HH12 ARG A 92 -19.271 -6.320 9.412 1.00 3.54 H new ATOM 0 HH21 ARG A 92 -19.396 -5.114 6.164 1.00 4.83 H new ATOM 0 HH22 ARG A 92 -20.286 -5.498 7.641 1.00 4.83 H new ATOM 1476 N TYR A 93 -10.201 -6.035 7.080 1.00 0.75 N ATOM 1477 CA TYR A 93 -8.850 -6.495 7.418 1.00 0.74 C ATOM 1478 C TYR A 93 -7.838 -5.347 7.555 1.00 1.06 C ATOM 1479 O TYR A 93 -7.253 -5.187 8.625 1.00 1.27 O ATOM 1480 CB TYR A 93 -8.357 -7.518 6.399 1.00 0.79 C ATOM 1481 CG TYR A 93 -7.020 -8.109 6.781 1.00 1.03 C ATOM 1482 CD1 TYR A 93 -6.952 -8.996 7.873 1.00 1.93 C ATOM 1483 CD2 TYR A 93 -5.851 -7.753 6.082 1.00 2.38 C ATOM 1484 CE1 TYR A 93 -5.720 -9.571 8.237 1.00 1.95 C ATOM 1485 CE2 TYR A 93 -4.621 -8.341 6.425 1.00 2.74 C ATOM 1486 CZ TYR A 93 -4.558 -9.254 7.499 1.00 1.76 C ATOM 1487 OH TYR A 93 -3.375 -9.824 7.830 1.00 2.26 O ATOM 0 H TYR A 93 -10.519 -6.341 6.160 1.00 0.75 H new ATOM 0 HA TYR A 93 -8.923 -6.967 8.398 1.00 0.74 H new ATOM 0 HB2 TYR A 93 -9.092 -8.318 6.305 1.00 0.79 H new ATOM 0 HB3 TYR A 93 -8.276 -7.044 5.421 1.00 0.79 H new ATOM 0 HD1 TYR A 93 -7.845 -9.235 8.431 1.00 1.93 H new ATOM 0 HD2 TYR A 93 -5.899 -7.028 5.283 1.00 2.38 H new ATOM 0 HE1 TYR A 93 -5.663 -10.250 9.075 1.00 1.95 H new ATOM 0 HE2 TYR A 93 -3.728 -8.095 5.869 1.00 2.74 H new ATOM 0 HH TYR A 93 -3.536 -10.710 8.216 1.00 2.26 H new ATOM 1497 N ALA A 94 -7.659 -4.522 6.515 1.00 0.63 N ATOM 1498 CA ALA A 94 -6.781 -3.343 6.576 1.00 0.68 C ATOM 1499 C ALA A 94 -7.150 -2.417 7.756 1.00 0.86 C ATOM 1500 O ALA A 94 -6.300 -1.937 8.507 1.00 0.96 O ATOM 1501 CB ALA A 94 -6.877 -2.620 5.224 1.00 0.77 C ATOM 0 H ALA A 94 -8.115 -4.651 5.612 1.00 0.63 H new ATOM 0 HA ALA A 94 -5.751 -3.651 6.757 1.00 0.68 H new ATOM 0 HB1 ALA A 94 -6.236 -1.739 5.236 1.00 0.77 H new ATOM 0 HB2 ALA A 94 -6.555 -3.292 4.428 1.00 0.77 H new ATOM 0 HB3 ALA A 94 -7.909 -2.316 5.047 1.00 0.77 H new ATOM 1507 N LYS A 95 -8.451 -2.247 7.975 1.00 0.71 N ATOM 1508 CA LYS A 95 -9.055 -1.453 9.053 1.00 0.79 C ATOM 1509 C LYS A 95 -8.839 -2.051 10.461 1.00 0.98 C ATOM 1510 O LYS A 95 -8.868 -1.310 11.444 1.00 1.13 O ATOM 1511 CB LYS A 95 -10.557 -1.315 8.753 1.00 0.94 C ATOM 1512 CG LYS A 95 -11.261 -0.091 9.361 1.00 1.31 C ATOM 1513 CD LYS A 95 -10.958 1.234 8.640 1.00 1.26 C ATOM 1514 CE LYS A 95 -11.188 1.213 7.119 1.00 1.53 C ATOM 1515 NZ LYS A 95 -12.547 0.820 6.700 1.00 1.38 N ATOM 0 H LYS A 95 -9.154 -2.680 7.376 1.00 0.71 H new ATOM 0 HA LYS A 95 -8.561 -0.481 9.073 1.00 0.79 H new ATOM 0 HB2 LYS A 95 -10.689 -1.284 7.671 1.00 0.94 H new ATOM 0 HB3 LYS A 95 -11.062 -2.213 9.110 1.00 0.94 H new ATOM 0 HG2 LYS A 95 -12.338 -0.261 9.347 1.00 1.31 H new ATOM 0 HG3 LYS A 95 -10.966 0.002 10.406 1.00 1.31 H new ATOM 0 HD2 LYS A 95 -11.578 2.017 9.075 1.00 1.26 H new ATOM 0 HD3 LYS A 95 -9.920 1.506 8.832 1.00 1.26 H new ATOM 0 HE2 LYS A 95 -10.974 2.205 6.720 1.00 1.53 H new ATOM 0 HE3 LYS A 95 -10.472 0.526 6.668 1.00 1.53 H new ATOM 0 HZ1 LYS A 95 -12.776 1.276 5.794 1.00 1.38 H new ATOM 0 HZ2 LYS A 95 -12.591 -0.213 6.588 1.00 1.38 H new ATOM 0 HZ3 LYS A 95 -13.233 1.120 7.422 1.00 1.38 H new ATOM 1529 N ALA A 96 -8.596 -3.364 10.588 1.00 0.77 N ATOM 1530 CA ALA A 96 -8.352 -4.014 11.881 1.00 0.82 C ATOM 1531 C ALA A 96 -7.023 -3.576 12.512 1.00 1.01 C ATOM 1532 O ALA A 96 -6.884 -3.578 13.735 1.00 1.20 O ATOM 1533 CB ALA A 96 -8.393 -5.533 11.693 1.00 0.84 C ATOM 0 H ALA A 96 -8.563 -4.005 9.795 1.00 0.77 H new ATOM 0 HA ALA A 96 -9.137 -3.706 12.572 1.00 0.82 H new ATOM 0 HB1 ALA A 96 -8.212 -6.023 12.650 1.00 0.84 H new ATOM 0 HB2 ALA A 96 -9.372 -5.826 11.314 1.00 0.84 H new ATOM 0 HB3 ALA A 96 -7.624 -5.832 10.981 1.00 0.84 H new ATOM 1539 N PHE A 97 -6.054 -3.163 11.689 1.00 0.81 N ATOM 1540 CA PHE A 97 -4.828 -2.531 12.167 1.00 0.84 C ATOM 1541 C PHE A 97 -5.124 -1.141 12.708 1.00 1.89 C ATOM 1542 O PHE A 97 -4.676 -0.798 13.806 1.00 2.23 O ATOM 1543 CB PHE A 97 -3.799 -2.482 11.032 1.00 0.95 C ATOM 1544 CG PHE A 97 -3.478 -3.874 10.555 1.00 1.20 C ATOM 1545 CD1 PHE A 97 -2.657 -4.700 11.335 1.00 1.49 C ATOM 1546 CD2 PHE A 97 -4.131 -4.389 9.429 1.00 2.83 C ATOM 1547 CE1 PHE A 97 -2.502 -6.056 10.994 1.00 1.68 C ATOM 1548 CE2 PHE A 97 -3.997 -5.744 9.095 1.00 3.14 C ATOM 1549 CZ PHE A 97 -3.180 -6.577 9.876 1.00 2.26 C ATOM 0 H PHE A 97 -6.101 -3.259 10.675 1.00 0.81 H new ATOM 0 HA PHE A 97 -4.411 -3.120 12.984 1.00 0.84 H new ATOM 0 HB2 PHE A 97 -4.188 -1.888 10.205 1.00 0.95 H new ATOM 0 HB3 PHE A 97 -2.890 -1.990 11.378 1.00 0.95 H new ATOM 0 HD1 PHE A 97 -2.145 -4.296 12.196 1.00 1.49 H new ATOM 0 HD2 PHE A 97 -4.740 -3.741 8.816 1.00 2.83 H new ATOM 0 HE1 PHE A 97 -1.865 -6.695 11.588 1.00 1.68 H new ATOM 0 HE2 PHE A 97 -4.520 -6.146 8.240 1.00 3.14 H new ATOM 0 HZ PHE A 97 -3.072 -7.620 9.618 1.00 2.26 H new ATOM 1559 N HIS A 98 -5.856 -0.336 11.936 1.00 0.81 N ATOM 1560 CA HIS A 98 -6.075 1.069 12.249 1.00 0.82 C ATOM 1561 C HIS A 98 -7.207 1.706 11.417 1.00 1.16 C ATOM 1562 O HIS A 98 -7.371 1.318 10.265 1.00 1.28 O ATOM 1563 CB HIS A 98 -4.739 1.803 12.032 1.00 0.88 C ATOM 1564 CG HIS A 98 -4.613 2.921 13.028 1.00 1.46 C ATOM 1565 ND1 HIS A 98 -4.795 4.265 12.801 1.00 2.30 N ATOM 1566 CD2 HIS A 98 -4.509 2.745 14.380 1.00 2.25 C ATOM 1567 CE1 HIS A 98 -4.802 4.878 14.004 1.00 3.14 C ATOM 1568 NE2 HIS A 98 -4.658 3.985 14.997 1.00 3.19 N ATOM 0 H HIS A 98 -6.312 -0.644 11.077 1.00 0.81 H new ATOM 0 HA HIS A 98 -6.404 1.156 13.285 1.00 0.82 H new ATOM 0 HB2 HIS A 98 -3.907 1.107 12.143 1.00 0.88 H new ATOM 0 HB3 HIS A 98 -4.690 2.198 11.017 1.00 0.88 H new ATOM 0 HD2 HIS A 98 -4.340 1.805 14.884 1.00 2.25 H new ATOM 0 HE1 HIS A 98 -4.909 5.943 14.148 1.00 3.14 H new ATOM 0 HE2 HIS A 98 -4.658 4.176 15.999 1.00 3.19 H new ATOM 1577 N PRO A 99 -7.953 2.707 11.933 1.00 0.98 N ATOM 1578 CA PRO A 99 -8.965 3.432 11.158 1.00 1.27 C ATOM 1579 C PRO A 99 -8.408 4.325 10.034 1.00 1.56 C ATOM 1580 O PRO A 99 -9.185 4.760 9.191 1.00 1.65 O ATOM 1581 CB PRO A 99 -9.762 4.251 12.180 1.00 1.56 C ATOM 1582 CG PRO A 99 -8.783 4.439 13.336 1.00 1.39 C ATOM 1583 CD PRO A 99 -8.033 3.112 13.330 1.00 1.06 C ATOM 0 HA PRO A 99 -9.582 2.713 10.619 1.00 1.27 H new ATOM 0 HB2 PRO A 99 -10.081 5.207 11.766 1.00 1.56 H new ATOM 0 HB3 PRO A 99 -10.662 3.726 12.499 1.00 1.56 H new ATOM 0 HG2 PRO A 99 -8.116 5.286 13.173 1.00 1.39 H new ATOM 0 HG3 PRO A 99 -9.296 4.614 14.282 1.00 1.39 H new ATOM 0 HD2 PRO A 99 -7.039 3.223 13.762 1.00 1.06 H new ATOM 0 HD3 PRO A 99 -8.557 2.364 13.925 1.00 1.06 H new ATOM 1591 N SER A 100 -7.099 4.609 9.984 1.00 1.29 N ATOM 1592 CA SER A 100 -6.471 5.373 8.879 1.00 1.47 C ATOM 1593 C SER A 100 -6.106 4.486 7.661 1.00 1.45 C ATOM 1594 O SER A 100 -5.461 4.929 6.701 1.00 1.65 O ATOM 1595 CB SER A 100 -5.244 6.139 9.404 1.00 1.73 C ATOM 1596 OG SER A 100 -5.132 7.389 8.750 1.00 2.57 O ATOM 0 H SER A 100 -6.439 4.319 10.705 1.00 1.29 H new ATOM 0 HA SER A 100 -7.209 6.087 8.515 1.00 1.47 H new ATOM 0 HB2 SER A 100 -5.333 6.290 10.480 1.00 1.73 H new ATOM 0 HB3 SER A 100 -4.341 5.551 9.238 1.00 1.73 H new ATOM 0 HG SER A 100 -4.863 8.074 9.397 1.00 2.57 H new ATOM 1602 N PHE A 101 -6.484 3.201 7.711 1.00 1.09 N ATOM 1603 CA PHE A 101 -6.196 2.198 6.690 1.00 1.02 C ATOM 1604 C PHE A 101 -7.466 1.907 5.884 1.00 1.77 C ATOM 1605 O PHE A 101 -8.559 1.883 6.439 1.00 2.22 O ATOM 1606 CB PHE A 101 -5.683 0.909 7.349 1.00 1.04 C ATOM 1607 CG PHE A 101 -4.252 0.888 7.869 1.00 1.36 C ATOM 1608 CD1 PHE A 101 -3.623 2.024 8.421 1.00 2.47 C ATOM 1609 CD2 PHE A 101 -3.529 -0.316 7.782 1.00 2.48 C ATOM 1610 CE1 PHE A 101 -2.273 1.980 8.794 1.00 2.58 C ATOM 1611 CE2 PHE A 101 -2.172 -0.361 8.150 1.00 2.69 C ATOM 1612 CZ PHE A 101 -1.536 0.801 8.611 1.00 2.02 C ATOM 0 H PHE A 101 -7.018 2.823 8.494 1.00 1.09 H new ATOM 0 HA PHE A 101 -5.426 2.579 6.020 1.00 1.02 H new ATOM 0 HB2 PHE A 101 -6.344 0.676 8.184 1.00 1.04 H new ATOM 0 HB3 PHE A 101 -5.786 0.101 6.625 1.00 1.04 H new ATOM 0 HD1 PHE A 101 -4.187 2.935 8.557 1.00 2.47 H new ATOM 0 HD2 PHE A 101 -4.019 -1.212 7.430 1.00 2.48 H new ATOM 0 HE1 PHE A 101 -1.801 2.852 9.222 1.00 2.58 H new ATOM 0 HE2 PHE A 101 -1.622 -1.287 8.078 1.00 2.69 H new ATOM 0 HZ PHE A 101 -0.478 0.788 8.825 1.00 2.02 H new ATOM 1622 N LEU A 102 -7.321 1.642 4.585 1.00 0.87 N ATOM 1623 CA LEU A 102 -8.423 1.426 3.634 1.00 0.74 C ATOM 1624 C LEU A 102 -8.077 0.257 2.700 1.00 0.97 C ATOM 1625 O LEU A 102 -7.016 0.270 2.073 1.00 1.21 O ATOM 1626 CB LEU A 102 -8.600 2.734 2.835 1.00 0.84 C ATOM 1627 CG LEU A 102 -9.977 3.041 2.218 1.00 0.93 C ATOM 1628 CD1 LEU A 102 -10.516 1.916 1.325 1.00 1.40 C ATOM 1629 CD2 LEU A 102 -11.008 3.383 3.303 1.00 2.27 C ATOM 0 H LEU A 102 -6.403 1.568 4.146 1.00 0.87 H new ATOM 0 HA LEU A 102 -9.349 1.175 4.151 1.00 0.74 H new ATOM 0 HB2 LEU A 102 -8.341 3.562 3.495 1.00 0.84 H new ATOM 0 HB3 LEU A 102 -7.869 2.729 2.027 1.00 0.84 H new ATOM 0 HG LEU A 102 -9.820 3.908 1.576 1.00 0.93 H new ATOM 0 HD11 LEU A 102 -11.489 2.203 0.926 1.00 1.40 H new ATOM 0 HD12 LEU A 102 -9.823 1.741 0.502 1.00 1.40 H new ATOM 0 HD13 LEU A 102 -10.620 1.003 1.912 1.00 1.40 H new ATOM 0 HD21 LEU A 102 -11.970 3.595 2.837 1.00 2.27 H new ATOM 0 HD22 LEU A 102 -11.113 2.539 3.984 1.00 2.27 H new ATOM 0 HD23 LEU A 102 -10.674 4.259 3.859 1.00 2.27 H new ATOM 1641 N GLY A 103 -8.953 -0.743 2.596 1.00 0.61 N ATOM 1642 CA GLY A 103 -8.735 -1.929 1.752 1.00 0.61 C ATOM 1643 C GLY A 103 -9.594 -1.920 0.493 1.00 0.65 C ATOM 1644 O GLY A 103 -10.780 -1.589 0.536 1.00 0.75 O ATOM 0 H GLY A 103 -9.842 -0.757 3.097 1.00 0.61 H new ATOM 0 HA2 GLY A 103 -7.684 -1.981 1.469 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -8.954 -2.827 2.330 1.00 0.61 H new ATOM 1648 N LEU A 104 -8.968 -2.269 -0.631 1.00 0.54 N ATOM 1649 CA LEU A 104 -9.532 -2.184 -1.973 1.00 0.56 C ATOM 1650 C LEU A 104 -9.406 -3.537 -2.692 1.00 1.15 C ATOM 1651 O LEU A 104 -8.315 -4.077 -2.860 1.00 1.37 O ATOM 1652 CB LEU A 104 -8.825 -1.055 -2.758 1.00 0.60 C ATOM 1653 CG LEU A 104 -8.904 0.357 -2.136 1.00 0.71 C ATOM 1654 CD1 LEU A 104 -8.057 1.366 -2.925 1.00 0.90 C ATOM 1655 CD2 LEU A 104 -10.349 0.882 -2.090 1.00 1.08 C ATOM 0 H LEU A 104 -8.015 -2.633 -0.628 1.00 0.54 H new ATOM 0 HA LEU A 104 -10.594 -1.945 -1.910 1.00 0.56 H new ATOM 0 HB2 LEU A 104 -7.774 -1.322 -2.871 1.00 0.60 H new ATOM 0 HB3 LEU A 104 -9.253 -1.013 -3.760 1.00 0.60 H new ATOM 0 HG LEU A 104 -8.518 0.260 -1.121 1.00 0.71 H new ATOM 0 HD11 LEU A 104 -8.135 2.349 -2.460 1.00 0.90 H new ATOM 0 HD12 LEU A 104 -7.015 1.046 -2.924 1.00 0.90 H new ATOM 0 HD13 LEU A 104 -8.419 1.420 -3.952 1.00 0.90 H new ATOM 0 HD21 LEU A 104 -10.361 1.877 -1.646 1.00 1.08 H new ATOM 0 HD22 LEU A 104 -10.750 0.932 -3.102 1.00 1.08 H new ATOM 0 HD23 LEU A 104 -10.961 0.210 -1.489 1.00 1.08 H new ATOM 1667 N SER A 105 -10.537 -4.102 -3.105 1.00 0.69 N ATOM 1668 CA SER A 105 -10.636 -5.258 -3.993 1.00 0.80 C ATOM 1669 C SER A 105 -11.904 -5.162 -4.846 1.00 1.10 C ATOM 1670 O SER A 105 -12.912 -4.651 -4.363 1.00 1.41 O ATOM 1671 CB SER A 105 -10.699 -6.529 -3.159 1.00 0.92 C ATOM 1672 OG SER A 105 -10.285 -7.643 -3.919 1.00 1.19 O ATOM 0 H SER A 105 -11.451 -3.751 -2.817 1.00 0.69 H new ATOM 0 HA SER A 105 -9.763 -5.278 -4.645 1.00 0.80 H new ATOM 0 HB2 SER A 105 -10.063 -6.425 -2.280 1.00 0.92 H new ATOM 0 HB3 SER A 105 -11.716 -6.685 -2.800 1.00 0.92 H new ATOM 0 HG SER A 105 -10.525 -8.468 -3.448 1.00 1.19 H new ATOM 1678 N GLY A 106 -11.906 -5.685 -6.074 1.00 1.07 N ATOM 1679 CA GLY A 106 -13.055 -5.584 -6.980 1.00 1.27 C ATOM 1680 C GLY A 106 -12.785 -6.198 -8.340 1.00 1.10 C ATOM 1681 O GLY A 106 -12.205 -7.278 -8.431 1.00 1.19 O ATOM 0 H GLY A 106 -11.113 -6.190 -6.469 1.00 1.07 H new ATOM 0 HA2 GLY A 106 -13.914 -6.079 -6.527 1.00 1.27 H new ATOM 0 HA3 GLY A 106 -13.321 -4.535 -7.106 1.00 1.27 H new ATOM 1685 N SER A 107 -13.209 -5.512 -9.399 1.00 0.98 N ATOM 1686 CA SER A 107 -13.022 -6.010 -10.770 1.00 0.96 C ATOM 1687 C SER A 107 -11.524 -6.234 -11.146 1.00 1.06 C ATOM 1688 O SER A 107 -10.678 -5.354 -10.919 1.00 1.02 O ATOM 1689 CB SER A 107 -13.754 -5.093 -11.759 1.00 1.10 C ATOM 1690 OG SER A 107 -14.237 -5.845 -12.853 1.00 2.25 O ATOM 0 H SER A 107 -13.684 -4.611 -9.340 1.00 0.98 H new ATOM 0 HA SER A 107 -13.468 -7.003 -10.829 1.00 0.96 H new ATOM 0 HB2 SER A 107 -14.583 -4.593 -11.258 1.00 1.10 H new ATOM 0 HB3 SER A 107 -13.078 -4.314 -12.113 1.00 1.10 H new ATOM 0 HG SER A 107 -13.636 -5.732 -13.618 1.00 2.25 H new ATOM 1696 N PRO A 108 -11.147 -7.416 -11.686 1.00 1.03 N ATOM 1697 CA PRO A 108 -9.754 -7.875 -11.742 1.00 1.28 C ATOM 1698 C PRO A 108 -8.884 -7.141 -12.771 1.00 1.41 C ATOM 1699 O PRO A 108 -7.673 -7.036 -12.576 1.00 1.37 O ATOM 1700 CB PRO A 108 -9.839 -9.372 -12.060 1.00 1.59 C ATOM 1701 CG PRO A 108 -11.147 -9.494 -12.841 1.00 1.43 C ATOM 1702 CD PRO A 108 -12.039 -8.471 -12.144 1.00 1.13 C ATOM 0 HA PRO A 108 -9.260 -7.665 -10.793 1.00 1.28 H new ATOM 0 HB2 PRO A 108 -8.986 -9.707 -12.650 1.00 1.59 H new ATOM 0 HB3 PRO A 108 -9.855 -9.975 -11.152 1.00 1.59 H new ATOM 0 HG2 PRO A 108 -11.013 -9.263 -13.898 1.00 1.43 H new ATOM 0 HG3 PRO A 108 -11.562 -10.500 -12.785 1.00 1.43 H new ATOM 0 HD2 PRO A 108 -12.792 -8.078 -12.828 1.00 1.13 H new ATOM 0 HD3 PRO A 108 -12.573 -8.923 -11.308 1.00 1.13 H new ATOM 1710 N GLU A 109 -9.477 -6.606 -13.840 1.00 1.19 N ATOM 1711 CA GLU A 109 -8.815 -5.673 -14.759 1.00 1.28 C ATOM 1712 C GLU A 109 -8.584 -4.295 -14.122 1.00 1.21 C ATOM 1713 O GLU A 109 -7.539 -3.687 -14.342 1.00 1.33 O ATOM 1714 CB GLU A 109 -9.500 -5.606 -16.124 1.00 1.65 C ATOM 1715 CG GLU A 109 -10.913 -5.049 -16.101 1.00 1.45 C ATOM 1716 CD GLU A 109 -11.866 -6.046 -15.461 1.00 2.41 C ATOM 1717 OE1 GLU A 109 -12.183 -7.059 -16.103 1.00 2.86 O ATOM 1718 OE2 GLU A 109 -12.137 -5.887 -14.250 1.00 3.63 O ATOM 0 H GLU A 109 -10.443 -6.810 -14.097 1.00 1.19 H new ATOM 0 HA GLU A 109 -7.822 -6.078 -14.955 1.00 1.28 H new ATOM 0 HB2 GLU A 109 -8.893 -4.992 -16.790 1.00 1.65 H new ATOM 0 HB3 GLU A 109 -9.527 -6.608 -16.551 1.00 1.65 H new ATOM 0 HG2 GLU A 109 -10.932 -4.111 -15.546 1.00 1.45 H new ATOM 0 HG3 GLU A 109 -11.239 -4.825 -17.117 1.00 1.45 H new ATOM 1725 N ALA A 110 -9.485 -3.836 -13.246 1.00 0.92 N ATOM 1726 CA ALA A 110 -9.259 -2.614 -12.462 1.00 0.77 C ATOM 1727 C ALA A 110 -8.057 -2.782 -11.511 1.00 0.83 C ATOM 1728 O ALA A 110 -7.197 -1.901 -11.439 1.00 0.84 O ATOM 1729 CB ALA A 110 -10.548 -2.222 -11.726 1.00 0.75 C ATOM 0 H ALA A 110 -10.378 -4.292 -13.061 1.00 0.92 H new ATOM 0 HA ALA A 110 -9.003 -1.795 -13.134 1.00 0.77 H new ATOM 0 HB1 ALA A 110 -10.375 -1.315 -11.146 1.00 0.75 H new ATOM 0 HB2 ALA A 110 -11.341 -2.043 -12.452 1.00 0.75 H new ATOM 0 HB3 ALA A 110 -10.845 -3.029 -11.057 1.00 0.75 H new ATOM 1735 N VAL A 111 -7.933 -3.957 -10.880 1.00 0.64 N ATOM 1736 CA VAL A 111 -6.707 -4.355 -10.144 1.00 0.61 C ATOM 1737 C VAL A 111 -5.470 -4.356 -11.066 1.00 0.99 C ATOM 1738 O VAL A 111 -4.415 -3.849 -10.676 1.00 0.83 O ATOM 1739 CB VAL A 111 -6.849 -5.726 -9.434 1.00 0.68 C ATOM 1740 CG1 VAL A 111 -5.578 -6.115 -8.659 1.00 1.16 C ATOM 1741 CG2 VAL A 111 -8.030 -5.726 -8.448 1.00 1.05 C ATOM 0 H VAL A 111 -8.671 -4.661 -10.860 1.00 0.64 H new ATOM 0 HA VAL A 111 -6.566 -3.602 -9.368 1.00 0.61 H new ATOM 0 HB VAL A 111 -7.022 -6.454 -10.226 1.00 0.68 H new ATOM 0 HG11 VAL A 111 -5.726 -7.082 -8.179 1.00 1.16 H new ATOM 0 HG12 VAL A 111 -4.736 -6.177 -9.349 1.00 1.16 H new ATOM 0 HG13 VAL A 111 -5.370 -5.361 -7.900 1.00 1.16 H new ATOM 0 HG21 VAL A 111 -8.102 -6.701 -7.967 1.00 1.05 H new ATOM 0 HG22 VAL A 111 -7.871 -4.959 -7.690 1.00 1.05 H new ATOM 0 HG23 VAL A 111 -8.954 -5.518 -8.987 1.00 1.05 H new ATOM 1751 N ARG A 112 -5.593 -4.857 -12.305 1.00 0.70 N ATOM 1752 CA ARG A 112 -4.499 -4.881 -13.286 1.00 0.74 C ATOM 1753 C ARG A 112 -4.036 -3.476 -13.676 1.00 0.99 C ATOM 1754 O ARG A 112 -2.824 -3.275 -13.764 1.00 1.10 O ATOM 1755 CB ARG A 112 -4.898 -5.735 -14.504 1.00 0.87 C ATOM 1756 CG ARG A 112 -3.908 -5.740 -15.686 1.00 1.29 C ATOM 1757 CD ARG A 112 -4.254 -4.654 -16.715 1.00 2.37 C ATOM 1758 NE ARG A 112 -3.400 -4.728 -17.914 1.00 3.14 N ATOM 1759 CZ ARG A 112 -3.743 -4.307 -19.128 1.00 4.43 C ATOM 1760 NH1 ARG A 112 -4.912 -3.763 -19.381 1.00 5.39 N ATOM 1761 NH2 ARG A 112 -2.862 -4.369 -20.105 1.00 5.25 N ATOM 0 H ARG A 112 -6.462 -5.260 -12.656 1.00 0.70 H new ATOM 0 HA ARG A 112 -3.633 -5.351 -12.819 1.00 0.74 H new ATOM 0 HB2 ARG A 112 -5.038 -6.763 -14.170 1.00 0.87 H new ATOM 0 HB3 ARG A 112 -5.864 -5.383 -14.867 1.00 0.87 H new ATOM 0 HG2 ARG A 112 -2.896 -5.581 -15.315 1.00 1.29 H new ATOM 0 HG3 ARG A 112 -3.921 -6.717 -16.169 1.00 1.29 H new ATOM 0 HD2 ARG A 112 -5.299 -4.755 -17.009 1.00 2.37 H new ATOM 0 HD3 ARG A 112 -4.146 -3.672 -16.254 1.00 2.37 H new ATOM 0 HE ARG A 112 -2.471 -5.135 -17.804 1.00 3.14 H new ATOM 0 HH11 ARG A 112 -5.595 -3.651 -18.632 1.00 5.39 H new ATOM 0 HH12 ARG A 112 -5.136 -3.453 -20.326 1.00 5.39 H new ATOM 0 HH21 ARG A 112 -1.928 -4.737 -19.927 1.00 5.25 H new ATOM 0 HH22 ARG A 112 -3.114 -4.049 -21.040 1.00 5.25 H new ATOM 1775 N GLU A 113 -4.941 -2.511 -13.878 1.00 0.73 N ATOM 1776 CA GLU A 113 -4.551 -1.138 -14.243 1.00 0.80 C ATOM 1777 C GLU A 113 -3.644 -0.494 -13.189 1.00 1.05 C ATOM 1778 O GLU A 113 -2.588 0.052 -13.519 1.00 1.07 O ATOM 1779 CB GLU A 113 -5.756 -0.238 -14.515 1.00 0.91 C ATOM 1780 CG GLU A 113 -6.579 -0.683 -15.727 1.00 1.36 C ATOM 1781 CD GLU A 113 -5.767 -1.168 -16.929 1.00 2.59 C ATOM 1782 OE1 GLU A 113 -4.846 -0.442 -17.359 1.00 2.80 O ATOM 1783 OE2 GLU A 113 -6.013 -2.306 -17.388 1.00 4.03 O ATOM 0 H GLU A 113 -5.948 -2.652 -13.796 1.00 0.73 H new ATOM 0 HA GLU A 113 -3.986 -1.232 -15.171 1.00 0.80 H new ATOM 0 HB2 GLU A 113 -6.397 -0.224 -13.634 1.00 0.91 H new ATOM 0 HB3 GLU A 113 -5.410 0.783 -14.674 1.00 0.91 H new ATOM 0 HG2 GLU A 113 -7.249 -1.484 -15.415 1.00 1.36 H new ATOM 0 HG3 GLU A 113 -7.205 0.150 -16.045 1.00 1.36 H new ATOM 1790 N ALA A 114 -4.022 -0.598 -11.910 1.00 0.64 N ATOM 1791 CA ALA A 114 -3.254 -0.054 -10.793 1.00 0.62 C ATOM 1792 C ALA A 114 -1.881 -0.723 -10.664 1.00 0.87 C ATOM 1793 O ALA A 114 -0.869 -0.041 -10.517 1.00 0.98 O ATOM 1794 CB ALA A 114 -4.088 -0.240 -9.519 1.00 0.63 C ATOM 0 H ALA A 114 -4.880 -1.068 -11.622 1.00 0.64 H new ATOM 0 HA ALA A 114 -3.056 1.004 -10.964 1.00 0.62 H new ATOM 0 HB1 ALA A 114 -3.540 0.157 -8.664 1.00 0.63 H new ATOM 0 HB2 ALA A 114 -5.034 0.291 -9.623 1.00 0.63 H new ATOM 0 HB3 ALA A 114 -4.283 -1.301 -9.363 1.00 0.63 H new ATOM 1800 N ALA A 115 -1.837 -2.053 -10.751 1.00 0.51 N ATOM 1801 CA ALA A 115 -0.607 -2.823 -10.666 1.00 0.52 C ATOM 1802 C ALA A 115 0.384 -2.450 -11.778 1.00 0.76 C ATOM 1803 O ALA A 115 1.521 -2.065 -11.487 1.00 0.85 O ATOM 1804 CB ALA A 115 -0.989 -4.302 -10.718 1.00 0.57 C ATOM 0 H ALA A 115 -2.669 -2.628 -10.884 1.00 0.51 H new ATOM 0 HA ALA A 115 -0.091 -2.600 -9.732 1.00 0.52 H new ATOM 0 HB1 ALA A 115 -0.088 -4.913 -10.656 1.00 0.57 H new ATOM 0 HB2 ALA A 115 -1.645 -4.538 -9.880 1.00 0.57 H new ATOM 0 HB3 ALA A 115 -1.506 -4.512 -11.654 1.00 0.57 H new ATOM 1810 N GLN A 116 -0.040 -2.529 -13.048 1.00 0.67 N ATOM 1811 CA GLN A 116 0.870 -2.322 -14.176 1.00 0.85 C ATOM 1812 C GLN A 116 1.450 -0.911 -14.214 1.00 1.20 C ATOM 1813 O GLN A 116 2.637 -0.742 -14.479 1.00 1.28 O ATOM 1814 CB GLN A 116 0.228 -2.743 -15.496 1.00 1.22 C ATOM 1815 CG GLN A 116 -0.808 -1.778 -16.074 1.00 1.52 C ATOM 1816 CD GLN A 116 -1.412 -2.291 -17.386 1.00 2.47 C ATOM 1817 OE1 GLN A 116 -0.949 -3.252 -17.997 1.00 2.59 O ATOM 1818 NE2 GLN A 116 -2.480 -1.709 -17.879 1.00 3.84 N ATOM 0 H GLN A 116 -1.003 -2.734 -13.315 1.00 0.67 H new ATOM 0 HA GLN A 116 1.726 -2.979 -14.022 1.00 0.85 H new ATOM 0 HB2 GLN A 116 1.018 -2.881 -16.234 1.00 1.22 H new ATOM 0 HB3 GLN A 116 -0.248 -3.713 -15.353 1.00 1.22 H new ATOM 0 HG2 GLN A 116 -1.604 -1.624 -15.346 1.00 1.52 H new ATOM 0 HG3 GLN A 116 -0.342 -0.808 -16.246 1.00 1.52 H new ATOM 0 HE21 GLN A 116 -2.892 -0.909 -17.399 1.00 3.84 H new ATOM 0 HE22 GLN A 116 -2.898 -2.057 -18.742 1.00 3.84 H new ATOM 1827 N THR A 117 0.623 0.077 -13.872 1.00 0.93 N ATOM 1828 CA THR A 117 0.999 1.503 -13.806 1.00 1.02 C ATOM 1829 C THR A 117 2.128 1.748 -12.803 1.00 1.24 C ATOM 1830 O THR A 117 3.029 2.553 -13.052 1.00 1.16 O ATOM 1831 CB THR A 117 -0.245 2.337 -13.466 1.00 1.13 C ATOM 1832 OG1 THR A 117 -1.184 2.127 -14.490 1.00 1.50 O ATOM 1833 CG2 THR A 117 0.023 3.841 -13.402 1.00 1.37 C ATOM 0 H THR A 117 -0.353 -0.089 -13.626 1.00 0.93 H new ATOM 0 HA THR A 117 1.381 1.810 -14.779 1.00 1.02 H new ATOM 0 HB THR A 117 -0.589 2.021 -12.481 1.00 1.13 H new ATOM 0 HG1 THR A 117 -1.826 1.442 -14.209 1.00 1.50 H new ATOM 0 HG21 THR A 117 -0.901 4.365 -13.157 1.00 1.37 H new ATOM 0 HG22 THR A 117 0.770 4.045 -12.635 1.00 1.37 H new ATOM 0 HG23 THR A 117 0.391 4.186 -14.368 1.00 1.37 H new ATOM 1841 N PHE A 118 2.064 1.085 -11.647 1.00 0.88 N ATOM 1842 CA PHE A 118 3.109 1.091 -10.623 1.00 0.87 C ATOM 1843 C PHE A 118 4.335 0.219 -10.965 1.00 1.88 C ATOM 1844 O PHE A 118 5.404 0.462 -10.408 1.00 2.15 O ATOM 1845 CB PHE A 118 2.474 0.742 -9.265 1.00 0.86 C ATOM 1846 CG PHE A 118 1.798 1.931 -8.593 1.00 0.95 C ATOM 1847 CD1 PHE A 118 0.720 2.598 -9.212 1.00 2.36 C ATOM 1848 CD2 PHE A 118 2.280 2.406 -7.358 1.00 1.79 C ATOM 1849 CE1 PHE A 118 0.163 3.748 -8.627 1.00 2.22 C ATOM 1850 CE2 PHE A 118 1.700 3.537 -6.757 1.00 1.93 C ATOM 1851 CZ PHE A 118 0.656 4.220 -7.399 1.00 1.15 C ATOM 0 H PHE A 118 1.260 0.512 -11.390 1.00 0.88 H new ATOM 0 HA PHE A 118 3.528 2.096 -10.573 1.00 0.87 H new ATOM 0 HB2 PHE A 118 1.740 -0.051 -9.408 1.00 0.86 H new ATOM 0 HB3 PHE A 118 3.244 0.348 -8.602 1.00 0.86 H new ATOM 0 HD1 PHE A 118 0.320 2.222 -10.142 1.00 2.36 H new ATOM 0 HD2 PHE A 118 3.099 1.899 -6.870 1.00 1.79 H new ATOM 0 HE1 PHE A 118 -0.644 4.269 -9.121 1.00 2.22 H new ATOM 0 HE2 PHE A 118 2.059 3.881 -5.798 1.00 1.93 H new ATOM 0 HZ PHE A 118 0.232 5.106 -6.950 1.00 1.15 H new ATOM 1861 N GLY A 119 4.200 -0.769 -11.862 1.00 0.84 N ATOM 1862 CA GLY A 119 5.224 -1.786 -12.169 1.00 0.80 C ATOM 1863 C GLY A 119 5.062 -3.113 -11.416 1.00 0.80 C ATOM 1864 O GLY A 119 6.000 -3.905 -11.370 1.00 0.92 O ATOM 0 H GLY A 119 3.350 -0.888 -12.412 1.00 0.84 H new ATOM 0 HA2 GLY A 119 5.205 -1.988 -13.240 1.00 0.80 H new ATOM 0 HA3 GLY A 119 6.206 -1.372 -11.940 1.00 0.80 H new ATOM 1868 N VAL A 120 3.896 -3.363 -10.825 1.00 0.63 N ATOM 1869 CA VAL A 120 3.564 -4.600 -10.097 1.00 0.58 C ATOM 1870 C VAL A 120 3.026 -5.665 -11.056 1.00 0.79 C ATOM 1871 O VAL A 120 2.179 -5.386 -11.908 1.00 0.98 O ATOM 1872 CB VAL A 120 2.552 -4.310 -8.965 1.00 0.66 C ATOM 1873 CG1 VAL A 120 1.957 -5.559 -8.291 1.00 0.82 C ATOM 1874 CG2 VAL A 120 3.234 -3.448 -7.897 1.00 1.25 C ATOM 0 H VAL A 120 3.127 -2.693 -10.836 1.00 0.63 H new ATOM 0 HA VAL A 120 4.476 -4.987 -9.643 1.00 0.58 H new ATOM 0 HB VAL A 120 1.715 -3.797 -9.438 1.00 0.66 H new ATOM 0 HG11 VAL A 120 1.259 -5.254 -7.511 1.00 0.82 H new ATOM 0 HG12 VAL A 120 1.431 -6.158 -9.034 1.00 0.82 H new ATOM 0 HG13 VAL A 120 2.759 -6.151 -7.849 1.00 0.82 H new ATOM 0 HG21 VAL A 120 2.528 -3.238 -7.094 1.00 1.25 H new ATOM 0 HG22 VAL A 120 4.094 -3.982 -7.493 1.00 1.25 H new ATOM 0 HG23 VAL A 120 3.565 -2.510 -8.343 1.00 1.25 H new ATOM 1884 N PHE A 121 3.508 -6.897 -10.863 1.00 0.67 N ATOM 1885 CA PHE A 121 3.093 -8.092 -11.593 1.00 0.69 C ATOM 1886 C PHE A 121 2.689 -9.215 -10.624 1.00 1.57 C ATOM 1887 O PHE A 121 3.319 -9.432 -9.583 1.00 1.58 O ATOM 1888 CB PHE A 121 4.210 -8.512 -12.561 1.00 0.81 C ATOM 1889 CG PHE A 121 5.586 -8.697 -11.939 1.00 0.91 C ATOM 1890 CD1 PHE A 121 6.432 -7.585 -11.748 1.00 1.81 C ATOM 1891 CD2 PHE A 121 6.026 -9.983 -11.568 1.00 2.28 C ATOM 1892 CE1 PHE A 121 7.707 -7.763 -11.184 1.00 1.85 C ATOM 1893 CE2 PHE A 121 7.305 -10.158 -11.012 1.00 2.15 C ATOM 1894 CZ PHE A 121 8.146 -9.047 -10.817 1.00 1.24 C ATOM 0 H PHE A 121 4.226 -7.093 -10.166 1.00 0.67 H new ATOM 0 HA PHE A 121 2.205 -7.872 -12.186 1.00 0.69 H new ATOM 0 HB2 PHE A 121 3.919 -9.447 -13.039 1.00 0.81 H new ATOM 0 HB3 PHE A 121 4.285 -7.762 -13.348 1.00 0.81 H new ATOM 0 HD1 PHE A 121 6.101 -6.598 -12.035 1.00 1.81 H new ATOM 0 HD2 PHE A 121 5.379 -10.836 -11.711 1.00 2.28 H new ATOM 0 HE1 PHE A 121 8.352 -6.910 -11.032 1.00 1.85 H new ATOM 0 HE2 PHE A 121 7.642 -11.146 -10.734 1.00 2.15 H new ATOM 0 HZ PHE A 121 9.127 -9.180 -10.386 1.00 1.24 H new ATOM 1904 N TYR A 122 1.583 -9.884 -10.953 1.00 0.67 N ATOM 1905 CA TYR A 122 0.959 -10.945 -10.157 1.00 0.72 C ATOM 1906 C TYR A 122 0.376 -12.047 -11.054 1.00 1.14 C ATOM 1907 O TYR A 122 -0.236 -11.761 -12.086 1.00 1.34 O ATOM 1908 CB TYR A 122 -0.107 -10.344 -9.221 1.00 0.88 C ATOM 1909 CG TYR A 122 -1.292 -9.665 -9.895 1.00 0.99 C ATOM 1910 CD1 TYR A 122 -1.143 -8.385 -10.471 1.00 2.12 C ATOM 1911 CD2 TYR A 122 -2.553 -10.294 -9.925 1.00 1.67 C ATOM 1912 CE1 TYR A 122 -2.236 -7.760 -11.101 1.00 2.26 C ATOM 1913 CE2 TYR A 122 -3.656 -9.668 -10.541 1.00 1.75 C ATOM 1914 CZ TYR A 122 -3.493 -8.398 -11.141 1.00 1.41 C ATOM 1915 OH TYR A 122 -4.532 -7.780 -11.763 1.00 1.75 O ATOM 0 H TYR A 122 1.075 -9.694 -11.817 1.00 0.67 H new ATOM 0 HA TYR A 122 1.725 -11.415 -9.541 1.00 0.72 H new ATOM 0 HB2 TYR A 122 -0.488 -11.140 -8.581 1.00 0.88 H new ATOM 0 HB3 TYR A 122 0.379 -9.617 -8.571 1.00 0.88 H new ATOM 0 HD1 TYR A 122 -0.187 -7.883 -10.428 1.00 2.12 H new ATOM 0 HD2 TYR A 122 -2.676 -11.266 -9.471 1.00 1.67 H new ATOM 0 HE1 TYR A 122 -2.111 -6.788 -11.555 1.00 2.26 H new ATOM 0 HE2 TYR A 122 -4.620 -10.156 -10.555 1.00 1.75 H new ATOM 0 HH TYR A 122 -5.330 -8.346 -11.707 1.00 1.75 H new ATOM 1925 N GLN A 123 0.537 -13.311 -10.657 1.00 0.89 N ATOM 1926 CA GLN A 123 -0.106 -14.469 -11.292 1.00 1.24 C ATOM 1927 C GLN A 123 -0.734 -15.354 -10.202 1.00 1.55 C ATOM 1928 O GLN A 123 -0.560 -15.086 -9.017 1.00 1.91 O ATOM 1929 CB GLN A 123 0.918 -15.282 -12.114 1.00 1.45 C ATOM 1930 CG GLN A 123 1.627 -14.516 -13.246 1.00 1.89 C ATOM 1931 CD GLN A 123 2.831 -15.262 -13.831 1.00 2.25 C ATOM 1932 OE1 GLN A 123 3.795 -14.653 -14.263 1.00 2.70 O ATOM 1933 NE2 GLN A 123 2.863 -16.580 -13.885 1.00 3.30 N ATOM 0 H GLN A 123 1.131 -13.566 -9.868 1.00 0.89 H new ATOM 0 HA GLN A 123 -0.881 -14.118 -11.973 1.00 1.24 H new ATOM 0 HB2 GLN A 123 1.676 -15.670 -11.433 1.00 1.45 H new ATOM 0 HB3 GLN A 123 0.407 -16.142 -12.547 1.00 1.45 H new ATOM 0 HG2 GLN A 123 0.911 -14.318 -14.043 1.00 1.89 H new ATOM 0 HG3 GLN A 123 1.958 -13.549 -12.867 1.00 1.89 H new ATOM 0 HE21 GLN A 123 2.075 -17.124 -13.533 1.00 3.30 H new ATOM 0 HE22 GLN A 123 3.676 -17.055 -14.278 1.00 3.30 H new ATOM 1942 N LYS A 124 -1.455 -16.413 -10.581 1.00 1.44 N ATOM 1943 CA LYS A 124 -1.845 -17.497 -9.661 1.00 1.58 C ATOM 1944 C LYS A 124 -1.826 -18.865 -10.368 1.00 1.80 C ATOM 1945 O LYS A 124 -2.835 -19.354 -10.878 1.00 2.92 O ATOM 1946 CB LYS A 124 -3.154 -17.167 -8.910 1.00 2.13 C ATOM 1947 CG LYS A 124 -4.246 -16.410 -9.683 1.00 2.39 C ATOM 1948 CD LYS A 124 -5.492 -16.265 -8.796 1.00 3.01 C ATOM 1949 CE LYS A 124 -6.464 -15.196 -9.308 1.00 3.34 C ATOM 1950 NZ LYS A 124 -7.669 -15.122 -8.457 1.00 3.96 N ATOM 0 H LYS A 124 -1.788 -16.548 -11.536 1.00 1.44 H new ATOM 0 HA LYS A 124 -1.094 -17.577 -8.875 1.00 1.58 H new ATOM 0 HB2 LYS A 124 -3.582 -18.104 -8.554 1.00 2.13 H new ATOM 0 HB3 LYS A 124 -2.897 -16.579 -8.029 1.00 2.13 H new ATOM 0 HG2 LYS A 124 -3.881 -15.427 -9.980 1.00 2.39 H new ATOM 0 HG3 LYS A 124 -4.498 -16.947 -10.598 1.00 2.39 H new ATOM 0 HD2 LYS A 124 -6.008 -17.224 -8.743 1.00 3.01 H new ATOM 0 HD3 LYS A 124 -5.183 -16.013 -7.782 1.00 3.01 H new ATOM 0 HE2 LYS A 124 -5.967 -14.226 -9.325 1.00 3.34 H new ATOM 0 HE3 LYS A 124 -6.753 -15.424 -10.334 1.00 3.34 H new ATOM 0 HZ1 LYS A 124 -8.003 -14.138 -8.413 1.00 3.96 H new ATOM 0 HZ2 LYS A 124 -8.416 -15.723 -8.860 1.00 3.96 H new ATOM 0 HZ3 LYS A 124 -7.438 -15.452 -7.498 1.00 3.96 H new ATOM 2120 N VAL A 135 -0.609 -18.000 -5.106 1.00 1.82 N ATOM 2121 CA VAL A 135 -0.632 -16.648 -5.676 1.00 1.69 C ATOM 2122 C VAL A 135 0.810 -16.152 -5.742 1.00 1.56 C ATOM 2123 O VAL A 135 1.550 -16.217 -4.761 1.00 1.72 O ATOM 2124 CB VAL A 135 -1.515 -15.673 -4.863 1.00 2.26 C ATOM 2125 CG1 VAL A 135 -1.570 -14.284 -5.528 1.00 2.38 C ATOM 2126 CG2 VAL A 135 -2.953 -16.201 -4.718 1.00 2.89 C ATOM 0 HA VAL A 135 -1.077 -16.687 -6.670 1.00 1.69 H new ATOM 0 HB VAL A 135 -1.059 -15.590 -3.877 1.00 2.26 H new ATOM 0 HG11 VAL A 135 -2.198 -13.621 -4.933 1.00 2.38 H new ATOM 0 HG12 VAL A 135 -0.563 -13.871 -5.591 1.00 2.38 H new ATOM 0 HG13 VAL A 135 -1.987 -14.377 -6.531 1.00 2.38 H new ATOM 0 HG21 VAL A 135 -3.545 -15.490 -4.141 1.00 2.89 H new ATOM 0 HG22 VAL A 135 -3.396 -16.325 -5.706 1.00 2.89 H new ATOM 0 HG23 VAL A 135 -2.938 -17.162 -4.204 1.00 2.89 H new ATOM 2136 N ASP A 136 1.193 -15.679 -6.919 1.00 0.95 N ATOM 2137 CA ASP A 136 2.558 -15.384 -7.320 1.00 0.93 C ATOM 2138 C ASP A 136 2.721 -13.852 -7.396 1.00 1.11 C ATOM 2139 O ASP A 136 2.858 -13.251 -8.462 1.00 1.62 O ATOM 2140 CB ASP A 136 2.825 -16.097 -8.655 1.00 1.41 C ATOM 2141 CG ASP A 136 2.304 -17.547 -8.748 1.00 3.09 C ATOM 2142 OD1 ASP A 136 2.614 -18.379 -7.869 1.00 3.92 O ATOM 2143 OD2 ASP A 136 1.582 -17.847 -9.736 1.00 4.27 O ATOM 0 H ASP A 136 0.521 -15.480 -7.660 1.00 0.95 H new ATOM 0 HA ASP A 136 3.295 -15.748 -6.604 1.00 0.93 H new ATOM 0 HB2 ASP A 136 2.371 -15.514 -9.456 1.00 1.41 H new ATOM 0 HB3 ASP A 136 3.900 -16.103 -8.835 1.00 1.41 H new ATOM 2148 N HIS A 137 2.558 -13.199 -6.246 1.00 0.74 N ATOM 2149 CA HIS A 137 2.366 -11.748 -6.132 1.00 0.76 C ATOM 2150 C HIS A 137 3.647 -10.962 -5.778 1.00 1.03 C ATOM 2151 O HIS A 137 4.371 -11.298 -4.831 1.00 1.15 O ATOM 2152 CB HIS A 137 1.220 -11.458 -5.136 1.00 1.06 C ATOM 2153 CG HIS A 137 1.344 -12.038 -3.735 1.00 1.62 C ATOM 2154 ND1 HIS A 137 2.512 -12.275 -3.051 1.00 2.84 N ATOM 2155 CD2 HIS A 137 0.325 -12.341 -2.868 1.00 1.95 C ATOM 2156 CE1 HIS A 137 2.207 -12.693 -1.813 1.00 3.12 C ATOM 2157 NE2 HIS A 137 0.875 -12.746 -1.644 1.00 2.45 N ATOM 0 H HIS A 137 2.555 -13.674 -5.343 1.00 0.74 H new ATOM 0 HA HIS A 137 2.093 -11.385 -7.123 1.00 0.76 H new ATOM 0 HB2 HIS A 137 1.119 -10.377 -5.045 1.00 1.06 H new ATOM 0 HB3 HIS A 137 0.293 -11.829 -5.573 1.00 1.06 H new ATOM 0 HD1 HIS A 137 3.454 -12.153 -3.423 1.00 2.84 H new ATOM 0 HD2 HIS A 137 -0.730 -12.278 -3.092 1.00 1.95 H new ATOM 0 HE1 HIS A 137 2.933 -12.951 -1.056 1.00 3.12 H new ATOM 2166 N THR A 138 3.884 -9.846 -6.485 1.00 0.68 N ATOM 2167 CA THR A 138 4.927 -8.855 -6.159 1.00 0.70 C ATOM 2168 C THR A 138 4.484 -8.037 -4.944 1.00 1.11 C ATOM 2169 O THR A 138 3.814 -7.017 -5.079 1.00 1.93 O ATOM 2170 CB THR A 138 5.219 -7.985 -7.390 1.00 0.89 C ATOM 2171 OG1 THR A 138 5.749 -8.816 -8.384 1.00 1.68 O ATOM 2172 CG2 THR A 138 6.257 -6.891 -7.157 1.00 1.01 C ATOM 0 H THR A 138 3.346 -9.600 -7.316 1.00 0.68 H new ATOM 0 HA THR A 138 5.860 -9.352 -5.894 1.00 0.70 H new ATOM 0 HB THR A 138 4.277 -7.504 -7.655 1.00 0.89 H new ATOM 0 HG1 THR A 138 5.021 -9.171 -8.936 1.00 1.68 H new ATOM 0 HG21 THR A 138 6.402 -6.325 -8.077 1.00 1.01 H new ATOM 0 HG22 THR A 138 5.910 -6.221 -6.370 1.00 1.01 H new ATOM 0 HG23 THR A 138 7.202 -7.344 -6.857 1.00 1.01 H new ATOM 2180 N ALA A 139 4.830 -8.505 -3.744 1.00 0.61 N ATOM 2181 CA ALA A 139 4.403 -7.934 -2.455 1.00 0.66 C ATOM 2182 C ALA A 139 5.161 -6.640 -2.070 1.00 0.78 C ATOM 2183 O ALA A 139 5.714 -6.515 -0.976 1.00 1.19 O ATOM 2184 CB ALA A 139 4.495 -9.044 -1.393 1.00 0.90 C ATOM 0 H ALA A 139 5.435 -9.319 -3.633 1.00 0.61 H new ATOM 0 HA ALA A 139 3.369 -7.598 -2.533 1.00 0.66 H new ATOM 0 HB1 ALA A 139 4.184 -8.649 -0.426 1.00 0.90 H new ATOM 0 HB2 ALA A 139 3.843 -9.871 -1.674 1.00 0.90 H new ATOM 0 HB3 ALA A 139 5.523 -9.399 -1.326 1.00 0.90 H new ATOM 2190 N THR A 140 5.194 -5.670 -2.988 1.00 0.69 N ATOM 2191 CA THR A 140 6.026 -4.460 -2.896 1.00 0.70 C ATOM 2192 C THR A 140 5.222 -3.307 -2.310 1.00 0.79 C ATOM 2193 O THR A 140 3.989 -3.266 -2.405 1.00 1.00 O ATOM 2194 CB THR A 140 6.642 -4.141 -4.266 1.00 0.75 C ATOM 2195 OG1 THR A 140 7.438 -5.255 -4.589 1.00 1.10 O ATOM 2196 CG2 THR A 140 7.584 -2.941 -4.302 1.00 0.81 C ATOM 0 H THR A 140 4.630 -5.702 -3.838 1.00 0.69 H new ATOM 0 HA THR A 140 6.857 -4.631 -2.212 1.00 0.70 H new ATOM 0 HB THR A 140 5.816 -3.916 -4.941 1.00 0.75 H new ATOM 0 HG1 THR A 140 7.861 -5.113 -5.461 1.00 1.10 H new ATOM 0 HG21 THR A 140 7.962 -2.805 -5.315 1.00 0.81 H new ATOM 0 HG22 THR A 140 7.045 -2.046 -3.993 1.00 0.81 H new ATOM 0 HG23 THR A 140 8.419 -3.114 -3.623 1.00 0.81 H new ATOM 2204 N THR A 141 5.942 -2.388 -1.669 1.00 0.72 N ATOM 2205 CA THR A 141 5.409 -1.177 -1.043 1.00 0.72 C ATOM 2206 C THR A 141 5.874 0.035 -1.841 1.00 1.02 C ATOM 2207 O THR A 141 6.998 0.073 -2.344 1.00 1.16 O ATOM 2208 CB THR A 141 5.822 -1.038 0.435 1.00 0.84 C ATOM 2209 OG1 THR A 141 6.575 -2.139 0.892 1.00 1.71 O ATOM 2210 CG2 THR A 141 4.614 -0.925 1.358 1.00 1.33 C ATOM 0 H THR A 141 6.954 -2.469 -1.567 1.00 0.72 H new ATOM 0 HA THR A 141 4.321 -1.245 -1.052 1.00 0.72 H new ATOM 0 HB THR A 141 6.422 -0.129 0.469 1.00 0.84 H new ATOM 0 HG1 THR A 141 6.814 -2.004 1.833 1.00 1.71 H new ATOM 0 HG21 THR A 141 4.952 -0.829 2.390 1.00 1.33 H new ATOM 0 HG22 THR A 141 4.028 -0.047 1.085 1.00 1.33 H new ATOM 0 HG23 THR A 141 3.997 -1.818 1.260 1.00 1.33 H new ATOM 2218 N PHE A 142 5.016 1.049 -1.931 1.00 0.67 N ATOM 2219 CA PHE A 142 5.264 2.263 -2.710 1.00 0.66 C ATOM 2220 C PHE A 142 4.826 3.505 -1.925 1.00 1.80 C ATOM 2221 O PHE A 142 3.710 3.531 -1.407 1.00 2.10 O ATOM 2222 CB PHE A 142 4.477 2.173 -4.028 1.00 0.68 C ATOM 2223 CG PHE A 142 4.791 0.958 -4.885 1.00 0.82 C ATOM 2224 CD1 PHE A 142 4.144 -0.270 -4.646 1.00 1.55 C ATOM 2225 CD2 PHE A 142 5.721 1.057 -5.933 1.00 2.13 C ATOM 2226 CE1 PHE A 142 4.451 -1.393 -5.431 1.00 1.53 C ATOM 2227 CE2 PHE A 142 6.013 -0.060 -6.734 1.00 2.01 C ATOM 2228 CZ PHE A 142 5.389 -1.290 -6.474 1.00 0.92 C ATOM 0 H PHE A 142 4.113 1.051 -1.457 1.00 0.67 H new ATOM 0 HA PHE A 142 6.331 2.349 -2.916 1.00 0.66 H new ATOM 0 HB2 PHE A 142 3.412 2.170 -3.797 1.00 0.68 H new ATOM 0 HB3 PHE A 142 4.674 3.071 -4.613 1.00 0.68 H new ATOM 0 HD1 PHE A 142 3.410 -0.348 -3.857 1.00 1.55 H new ATOM 0 HD2 PHE A 142 6.215 1.998 -6.124 1.00 2.13 H new ATOM 0 HE1 PHE A 142 3.966 -2.338 -5.234 1.00 1.53 H new ATOM 0 HE2 PHE A 142 6.717 0.028 -7.549 1.00 2.01 H new ATOM 0 HZ PHE A 142 5.629 -2.156 -7.074 1.00 0.92 H new ATOM 2238 N VAL A 143 5.665 4.547 -1.878 1.00 0.61 N ATOM 2239 CA VAL A 143 5.295 5.845 -1.287 1.00 0.53 C ATOM 2240 C VAL A 143 4.891 6.814 -2.394 1.00 0.77 C ATOM 2241 O VAL A 143 5.651 7.058 -3.337 1.00 0.98 O ATOM 2242 CB VAL A 143 6.413 6.478 -0.428 1.00 0.60 C ATOM 2243 CG1 VAL A 143 5.889 7.766 0.237 1.00 0.65 C ATOM 2244 CG2 VAL A 143 6.873 5.518 0.673 1.00 1.00 C ATOM 0 H VAL A 143 6.616 4.518 -2.246 1.00 0.61 H new ATOM 0 HA VAL A 143 4.459 5.652 -0.615 1.00 0.53 H new ATOM 0 HB VAL A 143 7.255 6.700 -1.084 1.00 0.60 H new ATOM 0 HG11 VAL A 143 6.679 8.210 0.842 1.00 0.65 H new ATOM 0 HG12 VAL A 143 5.580 8.473 -0.533 1.00 0.65 H new ATOM 0 HG13 VAL A 143 5.037 7.526 0.873 1.00 0.65 H new ATOM 0 HG21 VAL A 143 7.660 5.990 1.262 1.00 1.00 H new ATOM 0 HG22 VAL A 143 6.030 5.277 1.321 1.00 1.00 H new ATOM 0 HG23 VAL A 143 7.257 4.603 0.221 1.00 1.00 H new ATOM 2254 N VAL A 144 3.699 7.384 -2.232 1.00 0.49 N ATOM 2255 CA VAL A 144 3.124 8.433 -3.088 1.00 0.52 C ATOM 2256 C VAL A 144 2.806 9.674 -2.249 1.00 0.93 C ATOM 2257 O VAL A 144 2.179 9.567 -1.191 1.00 0.92 O ATOM 2258 CB VAL A 144 1.837 7.949 -3.804 1.00 0.64 C ATOM 2259 CG1 VAL A 144 1.120 9.075 -4.580 1.00 1.39 C ATOM 2260 CG2 VAL A 144 2.167 6.820 -4.795 1.00 1.66 C ATOM 0 H VAL A 144 3.076 7.120 -1.469 1.00 0.49 H new ATOM 0 HA VAL A 144 3.863 8.679 -3.851 1.00 0.52 H new ATOM 0 HB VAL A 144 1.170 7.596 -3.017 1.00 0.64 H new ATOM 0 HG11 VAL A 144 0.227 8.675 -5.060 1.00 1.39 H new ATOM 0 HG12 VAL A 144 0.836 9.869 -3.889 1.00 1.39 H new ATOM 0 HG13 VAL A 144 1.790 9.477 -5.340 1.00 1.39 H new ATOM 0 HG21 VAL A 144 1.253 6.491 -5.289 1.00 1.66 H new ATOM 0 HG22 VAL A 144 2.872 7.186 -5.542 1.00 1.66 H new ATOM 0 HG23 VAL A 144 2.610 5.982 -4.257 1.00 1.66 H new ATOM 2270 N LYS A 145 3.212 10.843 -2.757 1.00 0.61 N ATOM 2271 CA LYS A 145 2.748 12.158 -2.306 1.00 0.72 C ATOM 2272 C LYS A 145 2.648 13.161 -3.479 1.00 0.88 C ATOM 2273 O LYS A 145 3.354 13.011 -4.473 1.00 1.14 O ATOM 2274 CB LYS A 145 3.621 12.611 -1.119 1.00 1.12 C ATOM 2275 CG LYS A 145 3.066 13.837 -0.373 1.00 1.49 C ATOM 2276 CD LYS A 145 3.790 15.133 -0.731 1.00 1.44 C ATOM 2277 CE LYS A 145 5.211 15.161 -0.172 1.00 1.84 C ATOM 2278 NZ LYS A 145 5.799 16.513 -0.276 1.00 2.10 N ATOM 0 H LYS A 145 3.892 10.901 -3.515 1.00 0.61 H new ATOM 0 HA LYS A 145 1.724 12.102 -1.936 1.00 0.72 H new ATOM 0 HB2 LYS A 145 3.720 11.784 -0.416 1.00 1.12 H new ATOM 0 HB3 LYS A 145 4.622 12.841 -1.483 1.00 1.12 H new ATOM 0 HG2 LYS A 145 2.006 13.945 -0.602 1.00 1.49 H new ATOM 0 HG3 LYS A 145 3.145 13.668 0.701 1.00 1.49 H new ATOM 0 HD2 LYS A 145 3.823 15.243 -1.815 1.00 1.44 H new ATOM 0 HD3 LYS A 145 3.229 15.982 -0.341 1.00 1.44 H new ATOM 0 HE2 LYS A 145 5.201 14.845 0.871 1.00 1.84 H new ATOM 0 HE3 LYS A 145 5.832 14.448 -0.715 1.00 1.84 H new ATOM 0 HZ1 LYS A 145 6.826 16.435 -0.422 1.00 2.10 H new ATOM 0 HZ2 LYS A 145 5.373 17.016 -1.080 1.00 2.10 H new ATOM 0 HZ3 LYS A 145 5.613 17.041 0.601 1.00 2.10 H new ATOM 2292 N GLU A 146 1.745 14.150 -3.414 1.00 0.81 N ATOM 2293 CA GLU A 146 1.507 15.142 -4.493 1.00 0.93 C ATOM 2294 C GLU A 146 1.095 14.478 -5.836 1.00 1.24 C ATOM 2295 O GLU A 146 1.433 14.955 -6.921 1.00 1.66 O ATOM 2296 CB GLU A 146 2.717 16.088 -4.665 1.00 1.10 C ATOM 2297 CG GLU A 146 2.838 17.175 -3.590 1.00 1.76 C ATOM 2298 CD GLU A 146 4.275 17.689 -3.583 1.00 2.27 C ATOM 2299 OE1 GLU A 146 4.590 18.585 -4.393 1.00 2.37 O ATOM 2300 OE2 GLU A 146 5.139 17.067 -2.919 1.00 3.50 O ATOM 0 H GLU A 146 1.146 14.292 -2.601 1.00 0.81 H new ATOM 0 HA GLU A 146 0.657 15.748 -4.181 1.00 0.93 H new ATOM 0 HB2 GLU A 146 3.630 15.492 -4.664 1.00 1.10 H new ATOM 0 HB3 GLU A 146 2.650 16.568 -5.642 1.00 1.10 H new ATOM 0 HG2 GLU A 146 2.145 17.991 -3.796 1.00 1.76 H new ATOM 0 HG3 GLU A 146 2.575 16.772 -2.612 1.00 1.76 H new ATOM 2307 N GLY A 147 0.439 13.308 -5.784 1.00 0.89 N ATOM 2308 CA GLY A 147 0.051 12.546 -6.981 1.00 0.93 C ATOM 2309 C GLY A 147 1.221 11.894 -7.719 1.00 0.88 C ATOM 2310 O GLY A 147 1.037 11.408 -8.835 1.00 0.98 O ATOM 0 H GLY A 147 0.162 12.863 -4.909 1.00 0.89 H new ATOM 0 HA2 GLY A 147 -0.657 11.770 -6.690 1.00 0.93 H new ATOM 0 HA3 GLY A 147 -0.471 13.212 -7.668 1.00 0.93 H new ATOM 2314 N ARG A 148 2.426 11.874 -7.134 1.00 0.74 N ATOM 2315 CA ARG A 148 3.624 11.239 -7.690 1.00 0.69 C ATOM 2316 C ARG A 148 4.292 10.282 -6.708 1.00 1.07 C ATOM 2317 O ARG A 148 4.338 10.477 -5.496 1.00 1.28 O ATOM 2318 CB ARG A 148 4.640 12.255 -8.249 1.00 0.79 C ATOM 2319 CG ARG A 148 4.754 13.567 -7.468 1.00 1.24 C ATOM 2320 CD ARG A 148 5.943 14.393 -7.968 1.00 1.34 C ATOM 2321 NE ARG A 148 5.680 15.844 -7.912 1.00 1.71 N ATOM 2322 CZ ARG A 148 5.653 16.624 -6.834 1.00 2.50 C ATOM 2323 NH1 ARG A 148 6.038 16.218 -5.642 1.00 3.68 N ATOM 2324 NH2 ARG A 148 5.220 17.859 -6.937 1.00 2.81 N ATOM 0 H ARG A 148 2.597 12.315 -6.230 1.00 0.74 H new ATOM 0 HA ARG A 148 3.268 10.646 -8.532 1.00 0.69 H new ATOM 0 HB2 ARG A 148 5.622 11.783 -8.278 1.00 0.79 H new ATOM 0 HB3 ARG A 148 4.367 12.487 -9.278 1.00 0.79 H new ATOM 0 HG2 ARG A 148 3.834 14.142 -7.577 1.00 1.24 H new ATOM 0 HG3 ARG A 148 4.874 13.354 -6.406 1.00 1.24 H new ATOM 0 HD2 ARG A 148 6.822 14.162 -7.366 1.00 1.34 H new ATOM 0 HD3 ARG A 148 6.175 14.107 -8.994 1.00 1.34 H new ATOM 0 HE ARG A 148 5.497 16.303 -8.804 1.00 1.71 H new ATOM 0 HH11 ARG A 148 6.377 15.265 -5.513 1.00 3.68 H new ATOM 0 HH12 ARG A 148 5.997 16.857 -4.848 1.00 3.68 H new ATOM 0 HH21 ARG A 148 4.907 18.216 -7.840 1.00 2.81 H new ATOM 0 HH22 ARG A 148 5.197 18.462 -6.114 1.00 2.81 H new ATOM 2338 N LEU A 149 4.848 9.220 -7.280 1.00 0.57 N ATOM 2339 CA LEU A 149 5.592 8.171 -6.591 1.00 0.53 C ATOM 2340 C LEU A 149 7.007 8.700 -6.329 1.00 0.86 C ATOM 2341 O LEU A 149 7.651 9.208 -7.243 1.00 1.19 O ATOM 2342 CB LEU A 149 5.539 6.892 -7.452 1.00 0.68 C ATOM 2343 CG LEU A 149 5.455 5.584 -6.642 1.00 0.98 C ATOM 2344 CD1 LEU A 149 5.039 4.441 -7.574 1.00 1.88 C ATOM 2345 CD2 LEU A 149 6.772 5.208 -5.950 1.00 1.97 C ATOM 0 H LEU A 149 4.790 9.059 -8.286 1.00 0.57 H new ATOM 0 HA LEU A 149 5.166 7.906 -5.623 1.00 0.53 H new ATOM 0 HB2 LEU A 149 4.676 6.951 -8.116 1.00 0.68 H new ATOM 0 HB3 LEU A 149 6.426 6.857 -8.085 1.00 0.68 H new ATOM 0 HG LEU A 149 4.717 5.747 -5.856 1.00 0.98 H new ATOM 0 HD11 LEU A 149 4.978 3.513 -7.006 1.00 1.88 H new ATOM 0 HD12 LEU A 149 4.066 4.664 -8.011 1.00 1.88 H new ATOM 0 HD13 LEU A 149 5.777 4.332 -8.369 1.00 1.88 H new ATOM 0 HD21 LEU A 149 6.640 4.277 -5.398 1.00 1.97 H new ATOM 0 HD22 LEU A 149 7.553 5.078 -6.700 1.00 1.97 H new ATOM 0 HD23 LEU A 149 7.060 6.001 -5.260 1.00 1.97 H new ATOM 2357 N VAL A 150 7.443 8.643 -5.073 1.00 0.51 N ATOM 2358 CA VAL A 150 8.628 9.381 -4.571 1.00 0.57 C ATOM 2359 C VAL A 150 9.669 8.494 -3.875 1.00 0.95 C ATOM 2360 O VAL A 150 10.833 8.887 -3.775 1.00 1.13 O ATOM 2361 CB VAL A 150 8.221 10.527 -3.612 1.00 0.66 C ATOM 2362 CG1 VAL A 150 7.607 11.698 -4.395 1.00 1.49 C ATOM 2363 CG2 VAL A 150 7.240 10.071 -2.515 1.00 1.18 C ATOM 0 H VAL A 150 6.986 8.079 -4.356 1.00 0.51 H new ATOM 0 HA VAL A 150 9.095 9.790 -5.467 1.00 0.57 H new ATOM 0 HB VAL A 150 9.137 10.851 -3.118 1.00 0.66 H new ATOM 0 HG11 VAL A 150 7.328 12.492 -3.703 1.00 1.49 H new ATOM 0 HG12 VAL A 150 8.336 12.079 -5.110 1.00 1.49 H new ATOM 0 HG13 VAL A 150 6.721 11.354 -4.929 1.00 1.49 H new ATOM 0 HG21 VAL A 150 6.992 10.917 -1.874 1.00 1.18 H new ATOM 0 HG22 VAL A 150 6.331 9.686 -2.977 1.00 1.18 H new ATOM 0 HG23 VAL A 150 7.703 9.286 -1.916 1.00 1.18 H new ATOM 2373 N LEU A 151 9.278 7.293 -3.428 1.00 0.58 N ATOM 2374 CA LEU A 151 10.152 6.364 -2.716 1.00 0.66 C ATOM 2375 C LEU A 151 9.591 4.936 -2.737 1.00 1.07 C ATOM 2376 O LEU A 151 8.381 4.719 -2.626 1.00 1.24 O ATOM 2377 CB LEU A 151 10.446 6.923 -1.295 1.00 0.85 C ATOM 2378 CG LEU A 151 11.958 7.153 -1.097 1.00 1.13 C ATOM 2379 CD1 LEU A 151 12.338 8.340 -0.214 1.00 1.44 C ATOM 2380 CD2 LEU A 151 12.615 5.896 -0.529 1.00 1.13 C ATOM 0 H LEU A 151 8.330 6.938 -3.555 1.00 0.58 H new ATOM 0 HA LEU A 151 11.111 6.284 -3.227 1.00 0.66 H new ATOM 0 HB2 LEU A 151 9.909 7.861 -1.150 1.00 0.85 H new ATOM 0 HB3 LEU A 151 10.078 6.226 -0.542 1.00 0.85 H new ATOM 0 HG LEU A 151 12.325 7.390 -2.096 1.00 1.13 H new ATOM 0 HD11 LEU A 151 13.424 8.408 -0.143 1.00 1.44 H new ATOM 0 HD12 LEU A 151 11.944 9.258 -0.650 1.00 1.44 H new ATOM 0 HD13 LEU A 151 11.918 8.202 0.782 1.00 1.44 H new ATOM 0 HD21 LEU A 151 13.682 6.072 -0.394 1.00 1.13 H new ATOM 0 HD22 LEU A 151 12.163 5.652 0.433 1.00 1.13 H new ATOM 0 HD23 LEU A 151 12.469 5.065 -1.220 1.00 1.13 H new ATOM 2392 N LEU A 152 10.484 3.962 -2.921 1.00 0.70 N ATOM 2393 CA LEU A 152 10.150 2.533 -3.018 1.00 0.72 C ATOM 2394 C LEU A 152 10.533 1.774 -1.749 1.00 1.09 C ATOM 2395 O LEU A 152 11.565 2.040 -1.132 1.00 1.15 O ATOM 2396 CB LEU A 152 10.858 1.913 -4.237 1.00 0.85 C ATOM 2397 CG LEU A 152 10.398 2.435 -5.612 1.00 0.85 C ATOM 2398 CD1 LEU A 152 11.298 1.851 -6.709 1.00 1.04 C ATOM 2399 CD2 LEU A 152 8.939 2.055 -5.893 1.00 0.86 C ATOM 0 H LEU A 152 11.484 4.145 -3.009 1.00 0.70 H new ATOM 0 HA LEU A 152 9.070 2.450 -3.139 1.00 0.72 H new ATOM 0 HB2 LEU A 152 11.929 2.090 -4.141 1.00 0.85 H new ATOM 0 HB3 LEU A 152 10.710 0.833 -4.210 1.00 0.85 H new ATOM 0 HG LEU A 152 10.473 3.522 -5.605 1.00 0.85 H new ATOM 0 HD11 LEU A 152 10.973 2.220 -7.682 1.00 1.04 H new ATOM 0 HD12 LEU A 152 12.330 2.154 -6.533 1.00 1.04 H new ATOM 0 HD13 LEU A 152 11.232 0.763 -6.693 1.00 1.04 H new ATOM 0 HD21 LEU A 152 8.645 2.438 -6.870 1.00 0.86 H new ATOM 0 HD22 LEU A 152 8.837 0.970 -5.883 1.00 0.86 H new ATOM 0 HD23 LEU A 152 8.296 2.487 -5.126 1.00 0.86 H new ATOM 2411 N TYR A 153 9.712 0.794 -1.381 1.00 0.67 N ATOM 2412 CA TYR A 153 9.881 -0.026 -0.181 1.00 0.60 C ATOM 2413 C TYR A 153 9.641 -1.518 -0.484 1.00 1.13 C ATOM 2414 O TYR A 153 9.573 -1.936 -1.636 1.00 1.95 O ATOM 2415 CB TYR A 153 8.996 0.557 0.944 1.00 0.66 C ATOM 2416 CG TYR A 153 9.769 1.338 1.986 1.00 0.81 C ATOM 2417 CD1 TYR A 153 10.036 2.708 1.800 1.00 1.96 C ATOM 2418 CD2 TYR A 153 10.224 0.684 3.146 1.00 1.91 C ATOM 2419 CE1 TYR A 153 10.754 3.429 2.775 1.00 2.08 C ATOM 2420 CE2 TYR A 153 10.962 1.395 4.114 1.00 2.22 C ATOM 2421 CZ TYR A 153 11.227 2.770 3.934 1.00 1.52 C ATOM 2422 OH TYR A 153 11.948 3.445 4.873 1.00 2.04 O ATOM 0 H TYR A 153 8.887 0.540 -1.924 1.00 0.67 H new ATOM 0 HA TYR A 153 10.912 0.011 0.172 1.00 0.60 H new ATOM 0 HB2 TYR A 153 8.242 1.208 0.501 1.00 0.66 H new ATOM 0 HB3 TYR A 153 8.464 -0.258 1.435 1.00 0.66 H new ATOM 0 HD1 TYR A 153 9.689 3.208 0.907 1.00 1.96 H new ATOM 0 HD2 TYR A 153 10.008 -0.364 3.295 1.00 1.91 H new ATOM 0 HE1 TYR A 153 10.943 4.483 2.638 1.00 2.08 H new ATOM 0 HE2 TYR A 153 11.325 0.887 4.995 1.00 2.22 H new ATOM 0 HH TYR A 153 12.465 4.156 4.440 1.00 2.04 H new ATOM 2432 N SER A 154 9.585 -2.340 0.554 1.00 1.02 N ATOM 2433 CA SER A 154 9.520 -3.805 0.544 1.00 0.84 C ATOM 2434 C SER A 154 9.175 -4.223 1.988 1.00 1.03 C ATOM 2435 O SER A 154 9.512 -3.441 2.885 1.00 1.18 O ATOM 2436 CB SER A 154 10.885 -4.352 0.102 1.00 0.97 C ATOM 2437 OG SER A 154 10.758 -5.657 -0.401 1.00 2.01 O ATOM 0 H SER A 154 9.583 -1.975 1.506 1.00 1.02 H new ATOM 0 HA SER A 154 8.773 -4.197 -0.146 1.00 0.84 H new ATOM 0 HB2 SER A 154 11.312 -3.703 -0.662 1.00 0.97 H new ATOM 0 HB3 SER A 154 11.575 -4.348 0.946 1.00 0.97 H new ATOM 0 HG SER A 154 11.293 -6.271 0.144 1.00 2.01 H new ATOM 2443 N PRO A 155 8.507 -5.358 2.275 1.00 0.74 N ATOM 2444 CA PRO A 155 8.107 -5.700 3.644 1.00 0.90 C ATOM 2445 C PRO A 155 9.323 -5.847 4.564 1.00 1.10 C ATOM 2446 O PRO A 155 9.347 -5.281 5.654 1.00 1.04 O ATOM 2447 CB PRO A 155 7.291 -6.988 3.535 1.00 1.08 C ATOM 2448 CG PRO A 155 7.715 -7.591 2.198 1.00 0.98 C ATOM 2449 CD PRO A 155 8.016 -6.361 1.346 1.00 0.84 C ATOM 0 HA PRO A 155 7.510 -4.909 4.097 1.00 0.90 H new ATOM 0 HB2 PRO A 155 7.504 -7.665 4.362 1.00 1.08 H new ATOM 0 HB3 PRO A 155 6.221 -6.784 3.558 1.00 1.08 H new ATOM 0 HG2 PRO A 155 8.590 -8.232 2.304 1.00 0.98 H new ATOM 0 HG3 PRO A 155 6.924 -8.201 1.761 1.00 0.98 H new ATOM 0 HD2 PRO A 155 8.760 -6.585 0.581 1.00 0.84 H new ATOM 0 HD3 PRO A 155 7.122 -6.013 0.829 1.00 0.84 H new ATOM 2457 N ASP A 156 10.378 -6.492 4.064 1.00 0.85 N ATOM 2458 CA ASP A 156 11.716 -6.601 4.659 1.00 0.96 C ATOM 2459 C ASP A 156 12.373 -5.263 5.039 1.00 1.13 C ATOM 2460 O ASP A 156 13.208 -5.198 5.941 1.00 1.54 O ATOM 2461 CB ASP A 156 12.602 -7.375 3.663 1.00 1.15 C ATOM 2462 CG ASP A 156 12.532 -6.800 2.239 1.00 1.58 C ATOM 2463 OD1 ASP A 156 11.541 -7.121 1.536 1.00 2.61 O ATOM 2464 OD2 ASP A 156 13.409 -5.997 1.856 1.00 1.96 O ATOM 0 H ASP A 156 10.319 -6.986 3.173 1.00 0.85 H new ATOM 0 HA ASP A 156 11.609 -7.123 5.610 1.00 0.96 H new ATOM 0 HB2 ASP A 156 13.635 -7.354 4.009 1.00 1.15 H new ATOM 0 HB3 ASP A 156 12.294 -8.420 3.644 1.00 1.15 H new ATOM 2469 N LYS A 157 11.956 -4.181 4.388 1.00 0.82 N ATOM 2470 CA LYS A 157 12.360 -2.818 4.738 1.00 0.82 C ATOM 2471 C LYS A 157 11.313 -2.073 5.573 1.00 1.14 C ATOM 2472 O LYS A 157 11.676 -1.259 6.424 1.00 1.21 O ATOM 2473 CB LYS A 157 12.785 -2.045 3.489 1.00 0.88 C ATOM 2474 CG LYS A 157 14.021 -2.719 2.856 1.00 1.33 C ATOM 2475 CD LYS A 157 14.931 -1.724 2.139 1.00 1.84 C ATOM 2476 CE LYS A 157 14.114 -0.937 1.120 1.00 3.66 C ATOM 2477 NZ LYS A 157 14.973 -0.008 0.352 1.00 5.43 N ATOM 0 H LYS A 157 11.320 -4.224 3.592 1.00 0.82 H new ATOM 0 HA LYS A 157 13.230 -2.895 5.390 1.00 0.82 H new ATOM 0 HB2 LYS A 157 11.966 -2.017 2.770 1.00 0.88 H new ATOM 0 HB3 LYS A 157 13.016 -1.012 3.750 1.00 0.88 H new ATOM 0 HG2 LYS A 157 14.589 -3.230 3.633 1.00 1.33 H new ATOM 0 HG3 LYS A 157 13.692 -3.480 2.148 1.00 1.33 H new ATOM 0 HD2 LYS A 157 15.386 -1.045 2.860 1.00 1.84 H new ATOM 0 HD3 LYS A 157 15.744 -2.251 1.641 1.00 1.84 H new ATOM 0 HE2 LYS A 157 13.617 -1.626 0.437 1.00 3.66 H new ATOM 0 HE3 LYS A 157 13.332 -0.376 1.631 1.00 3.66 H new ATOM 0 HZ1 LYS A 157 14.454 0.337 -0.481 1.00 5.43 H new ATOM 0 HZ2 LYS A 157 15.237 0.798 0.954 1.00 5.43 H new ATOM 0 HZ3 LYS A 157 15.832 -0.505 0.043 1.00 5.43 H new ATOM 2491 N ALA A 158 10.028 -2.351 5.357 1.00 0.71 N ATOM 2492 CA ALA A 158 8.898 -1.719 6.028 1.00 0.73 C ATOM 2493 C ALA A 158 8.845 -2.089 7.511 1.00 1.04 C ATOM 2494 O ALA A 158 8.497 -1.243 8.335 1.00 1.11 O ATOM 2495 CB ALA A 158 7.615 -2.137 5.302 1.00 0.82 C ATOM 0 H ALA A 158 9.736 -3.055 4.679 1.00 0.71 H new ATOM 0 HA ALA A 158 9.009 -0.635 5.987 1.00 0.73 H new ATOM 0 HB1 ALA A 158 6.755 -1.675 5.788 1.00 0.82 H new ATOM 0 HB2 ALA A 158 7.663 -1.812 4.263 1.00 0.82 H new ATOM 0 HB3 ALA A 158 7.513 -3.222 5.339 1.00 0.82 H new ATOM 2501 N GLU A 159 9.240 -3.319 7.861 1.00 0.73 N ATOM 2502 CA GLU A 159 9.254 -3.760 9.256 1.00 0.81 C ATOM 2503 C GLU A 159 10.260 -3.001 10.138 1.00 1.24 C ATOM 2504 O GLU A 159 10.026 -2.896 11.347 1.00 1.50 O ATOM 2505 CB GLU A 159 9.281 -5.293 9.377 1.00 0.83 C ATOM 2506 CG GLU A 159 7.983 -5.834 8.747 1.00 1.17 C ATOM 2507 CD GLU A 159 7.571 -7.253 9.121 1.00 1.70 C ATOM 2508 OE1 GLU A 159 8.132 -7.806 10.089 1.00 2.77 O ATOM 2509 OE2 GLU A 159 6.608 -7.718 8.461 1.00 2.60 O ATOM 0 H GLU A 159 9.554 -4.025 7.195 1.00 0.73 H new ATOM 0 HA GLU A 159 8.298 -3.468 9.691 1.00 0.81 H new ATOM 0 HB2 GLU A 159 10.153 -5.702 8.867 1.00 0.83 H new ATOM 0 HB3 GLU A 159 9.353 -5.593 10.422 1.00 0.83 H new ATOM 0 HG2 GLU A 159 7.169 -5.162 9.019 1.00 1.17 H new ATOM 0 HG3 GLU A 159 8.087 -5.786 7.663 1.00 1.17 H new ATOM 2516 N ALA A 160 11.259 -2.319 9.548 1.00 0.86 N ATOM 2517 CA ALA A 160 12.027 -1.240 10.187 1.00 0.90 C ATOM 2518 C ALA A 160 11.129 -0.007 10.438 1.00 0.97 C ATOM 2519 O ALA A 160 11.271 1.054 9.826 1.00 0.89 O ATOM 2520 CB ALA A 160 13.286 -0.900 9.366 1.00 0.96 C ATOM 0 H ALA A 160 11.560 -2.509 8.592 1.00 0.86 H new ATOM 0 HA ALA A 160 12.373 -1.584 11.161 1.00 0.90 H new ATOM 0 HB1 ALA A 160 13.837 -0.099 9.859 1.00 0.96 H new ATOM 0 HB2 ALA A 160 13.920 -1.783 9.290 1.00 0.96 H new ATOM 0 HB3 ALA A 160 12.993 -0.577 8.367 1.00 0.96 H new ATOM 2526 N THR A 161 10.206 -0.176 11.382 1.00 0.88 N ATOM 2527 CA THR A 161 9.092 0.714 11.727 1.00 0.89 C ATOM 2528 C THR A 161 9.536 2.171 11.813 1.00 0.98 C ATOM 2529 O THR A 161 9.102 3.012 11.032 1.00 1.24 O ATOM 2530 CB THR A 161 8.522 0.210 13.055 1.00 1.09 C ATOM 2531 OG1 THR A 161 7.998 -1.089 12.851 1.00 1.51 O ATOM 2532 CG2 THR A 161 7.418 1.092 13.608 1.00 1.31 C ATOM 0 H THR A 161 10.216 -1.005 11.976 1.00 0.88 H new ATOM 0 HA THR A 161 8.328 0.692 10.950 1.00 0.89 H new ATOM 0 HB THR A 161 9.335 0.218 13.781 1.00 1.09 H new ATOM 0 HG1 THR A 161 7.278 -1.051 12.187 1.00 1.51 H new ATOM 0 HG21 THR A 161 7.059 0.678 14.550 1.00 1.31 H new ATOM 0 HG22 THR A 161 7.805 2.097 13.778 1.00 1.31 H new ATOM 0 HG23 THR A 161 6.596 1.136 12.894 1.00 1.31 H new ATOM 2540 N ASP A 162 10.443 2.477 12.727 1.00 0.84 N ATOM 2541 CA ASP A 162 10.906 3.843 12.938 1.00 0.97 C ATOM 2542 C ASP A 162 11.830 4.366 11.821 1.00 1.23 C ATOM 2543 O ASP A 162 11.912 5.579 11.628 1.00 1.31 O ATOM 2544 CB ASP A 162 11.369 3.987 14.392 1.00 1.28 C ATOM 2545 CG ASP A 162 10.119 4.066 15.290 1.00 2.25 C ATOM 2546 OD1 ASP A 162 9.441 3.035 15.505 1.00 2.86 O ATOM 2547 OD2 ASP A 162 9.709 5.193 15.650 1.00 3.38 O ATOM 0 H ASP A 162 10.879 1.790 13.342 1.00 0.84 H new ATOM 0 HA ASP A 162 10.085 4.551 12.827 1.00 0.97 H new ATOM 0 HB2 ASP A 162 11.990 3.138 14.679 1.00 1.28 H new ATOM 0 HB3 ASP A 162 11.979 4.883 14.510 1.00 1.28 H new ATOM 2552 N ARG A 163 12.408 3.491 10.975 1.00 0.89 N ATOM 2553 CA ARG A 163 12.923 3.941 9.672 1.00 0.92 C ATOM 2554 C ARG A 163 11.799 4.472 8.779 1.00 1.09 C ATOM 2555 O ARG A 163 11.959 5.566 8.251 1.00 1.40 O ATOM 2556 CB ARG A 163 13.709 2.860 8.910 1.00 0.96 C ATOM 2557 CG ARG A 163 14.915 2.292 9.671 1.00 1.14 C ATOM 2558 CD ARG A 163 15.883 3.411 10.042 1.00 1.52 C ATOM 2559 NE ARG A 163 17.299 3.000 9.957 1.00 1.73 N ATOM 2560 CZ ARG A 163 18.191 3.471 9.091 1.00 3.04 C ATOM 2561 NH1 ARG A 163 17.907 4.422 8.228 1.00 4.23 N ATOM 2562 NH2 ARG A 163 19.409 2.975 9.072 1.00 3.62 N ATOM 0 H ARG A 163 12.527 2.496 11.165 1.00 0.89 H new ATOM 0 HA ARG A 163 13.620 4.745 9.907 1.00 0.92 H new ATOM 0 HB2 ARG A 163 13.032 2.042 8.665 1.00 0.96 H new ATOM 0 HB3 ARG A 163 14.056 3.279 7.966 1.00 0.96 H new ATOM 0 HG2 ARG A 163 14.577 1.781 10.572 1.00 1.14 H new ATOM 0 HG3 ARG A 163 15.425 1.550 9.056 1.00 1.14 H new ATOM 0 HD2 ARG A 163 15.717 4.262 9.381 1.00 1.52 H new ATOM 0 HD3 ARG A 163 15.668 3.748 11.056 1.00 1.52 H new ATOM 0 HE ARG A 163 17.620 2.294 10.620 1.00 1.73 H new ATOM 0 HH11 ARG A 163 16.971 4.828 8.206 1.00 4.23 H new ATOM 0 HH12 ARG A 163 18.622 4.754 7.581 1.00 4.23 H new ATOM 0 HH21 ARG A 163 19.667 2.231 9.720 1.00 3.62 H new ATOM 0 HH22 ARG A 163 20.096 3.334 8.409 1.00 3.62 H new ATOM 2576 N VAL A 164 10.661 3.776 8.677 1.00 0.83 N ATOM 2577 CA VAL A 164 9.506 4.260 7.888 1.00 0.82 C ATOM 2578 C VAL A 164 8.991 5.605 8.427 1.00 1.02 C ATOM 2579 O VAL A 164 8.702 6.489 7.627 1.00 1.10 O ATOM 2580 CB VAL A 164 8.369 3.211 7.792 1.00 0.79 C ATOM 2581 CG1 VAL A 164 7.123 3.729 7.056 1.00 0.83 C ATOM 2582 CG2 VAL A 164 8.853 1.945 7.070 1.00 1.00 C ATOM 0 H VAL A 164 10.508 2.874 9.129 1.00 0.83 H new ATOM 0 HA VAL A 164 9.863 4.420 6.871 1.00 0.82 H new ATOM 0 HB VAL A 164 8.092 2.991 8.823 1.00 0.79 H new ATOM 0 HG11 VAL A 164 6.367 2.945 7.025 1.00 0.83 H new ATOM 0 HG12 VAL A 164 6.725 4.597 7.582 1.00 0.83 H new ATOM 0 HG13 VAL A 164 7.393 4.013 6.039 1.00 0.83 H new ATOM 0 HG21 VAL A 164 8.038 1.223 7.015 1.00 1.00 H new ATOM 0 HG22 VAL A 164 9.178 2.203 6.062 1.00 1.00 H new ATOM 0 HG23 VAL A 164 9.687 1.509 7.620 1.00 1.00 H new ATOM 2592 N VAL A 165 8.956 5.810 9.755 1.00 0.85 N ATOM 2593 CA VAL A 165 8.642 7.137 10.344 1.00 0.87 C ATOM 2594 C VAL A 165 9.532 8.247 9.755 1.00 1.09 C ATOM 2595 O VAL A 165 9.027 9.243 9.243 1.00 1.30 O ATOM 2596 CB VAL A 165 8.799 7.176 11.886 1.00 0.87 C ATOM 2597 CG1 VAL A 165 8.460 8.561 12.477 1.00 1.01 C ATOM 2598 CG2 VAL A 165 7.899 6.153 12.579 1.00 1.15 C ATOM 0 H VAL A 165 9.140 5.081 10.444 1.00 0.85 H new ATOM 0 HA VAL A 165 7.596 7.310 10.091 1.00 0.87 H new ATOM 0 HB VAL A 165 9.848 6.942 12.069 1.00 0.87 H new ATOM 0 HG11 VAL A 165 8.586 8.535 13.559 1.00 1.01 H new ATOM 0 HG12 VAL A 165 9.127 9.311 12.052 1.00 1.01 H new ATOM 0 HG13 VAL A 165 7.428 8.816 12.238 1.00 1.01 H new ATOM 0 HG21 VAL A 165 8.041 6.215 13.658 1.00 1.15 H new ATOM 0 HG22 VAL A 165 6.857 6.363 12.338 1.00 1.15 H new ATOM 0 HG23 VAL A 165 8.156 5.151 12.236 1.00 1.15 H new ATOM 2608 N ALA A 166 10.854 8.103 9.876 1.00 0.89 N ATOM 2609 CA ALA A 166 11.831 9.141 9.533 1.00 0.96 C ATOM 2610 C ALA A 166 11.999 9.378 8.023 1.00 1.10 C ATOM 2611 O ALA A 166 12.301 10.493 7.605 1.00 1.20 O ATOM 2612 CB ALA A 166 13.153 8.687 10.150 1.00 1.08 C ATOM 0 H ALA A 166 11.284 7.245 10.222 1.00 0.89 H new ATOM 0 HA ALA A 166 11.484 10.099 9.920 1.00 0.96 H new ATOM 0 HB1 ALA A 166 13.928 9.421 9.930 1.00 1.08 H new ATOM 0 HB2 ALA A 166 13.038 8.594 11.230 1.00 1.08 H new ATOM 0 HB3 ALA A 166 13.438 7.722 9.731 1.00 1.08 H new ATOM 2618 N ASP A 167 11.803 8.330 7.230 1.00 0.89 N ATOM 2619 CA ASP A 167 11.835 8.348 5.771 1.00 0.97 C ATOM 2620 C ASP A 167 10.644 9.155 5.220 1.00 1.29 C ATOM 2621 O ASP A 167 10.815 10.108 4.459 1.00 1.30 O ATOM 2622 CB ASP A 167 11.815 6.871 5.352 1.00 1.14 C ATOM 2623 CG ASP A 167 12.164 6.608 3.897 1.00 1.28 C ATOM 2624 OD1 ASP A 167 11.509 7.171 3.002 1.00 2.18 O ATOM 2625 OD2 ASP A 167 13.058 5.750 3.684 1.00 2.03 O ATOM 0 H ASP A 167 11.608 7.401 7.604 1.00 0.89 H new ATOM 0 HA ASP A 167 12.719 8.841 5.367 1.00 0.97 H new ATOM 0 HB2 ASP A 167 12.514 6.321 5.982 1.00 1.14 H new ATOM 0 HB3 ASP A 167 10.822 6.467 5.550 1.00 1.14 H new ATOM 2630 N LEU A 168 9.438 8.858 5.730 1.00 1.00 N ATOM 2631 CA LEU A 168 8.190 9.558 5.379 1.00 1.17 C ATOM 2632 C LEU A 168 8.139 11.008 5.869 1.00 1.48 C ATOM 2633 O LEU A 168 7.406 11.823 5.326 1.00 1.65 O ATOM 2634 CB LEU A 168 6.996 8.810 5.979 1.00 1.31 C ATOM 2635 CG LEU A 168 6.698 7.438 5.352 1.00 1.55 C ATOM 2636 CD1 LEU A 168 5.572 6.812 6.169 1.00 1.77 C ATOM 2637 CD2 LEU A 168 6.268 7.552 3.885 1.00 1.94 C ATOM 0 H LEU A 168 9.300 8.111 6.411 1.00 1.00 H new ATOM 0 HA LEU A 168 8.151 9.577 4.290 1.00 1.17 H new ATOM 0 HB2 LEU A 168 7.173 8.673 7.046 1.00 1.31 H new ATOM 0 HB3 LEU A 168 6.109 9.436 5.881 1.00 1.31 H new ATOM 0 HG LEU A 168 7.602 6.829 5.367 1.00 1.55 H new ATOM 0 HD11 LEU A 168 5.326 5.833 5.759 1.00 1.77 H new ATOM 0 HD12 LEU A 168 5.892 6.701 7.205 1.00 1.77 H new ATOM 0 HD13 LEU A 168 4.692 7.454 6.128 1.00 1.77 H new ATOM 0 HD21 LEU A 168 6.069 6.557 3.486 1.00 1.94 H new ATOM 0 HD22 LEU A 168 5.365 8.158 3.817 1.00 1.94 H new ATOM 0 HD23 LEU A 168 7.065 8.022 3.308 1.00 1.94 H new ATOM 2649 N GLN A 169 8.935 11.343 6.874 1.00 1.12 N ATOM 2650 CA GLN A 169 9.076 12.710 7.379 1.00 1.19 C ATOM 2651 C GLN A 169 9.791 13.652 6.395 1.00 1.51 C ATOM 2652 O GLN A 169 9.635 14.864 6.503 1.00 1.57 O ATOM 2653 CB GLN A 169 9.751 12.640 8.760 1.00 1.22 C ATOM 2654 CG GLN A 169 8.692 12.365 9.836 1.00 1.47 C ATOM 2655 CD GLN A 169 8.002 13.628 10.329 1.00 2.44 C ATOM 2656 OE1 GLN A 169 7.008 14.072 9.784 1.00 3.57 O ATOM 2657 NE2 GLN A 169 8.462 14.221 11.412 1.00 2.69 N ATOM 0 H GLN A 169 9.512 10.665 7.372 1.00 1.12 H new ATOM 0 HA GLN A 169 8.088 13.159 7.485 1.00 1.19 H new ATOM 0 HB2 GLN A 169 10.505 11.853 8.768 1.00 1.22 H new ATOM 0 HB3 GLN A 169 10.266 13.577 8.973 1.00 1.22 H new ATOM 0 HG2 GLN A 169 7.943 11.682 9.435 1.00 1.47 H new ATOM 0 HG3 GLN A 169 9.163 11.862 10.681 1.00 1.47 H new ATOM 0 HE21 GLN A 169 9.294 13.858 11.878 1.00 2.69 H new ATOM 0 HE22 GLN A 169 7.986 15.043 11.785 1.00 2.69 H new ATOM 2666 N ALA A 170 10.532 13.137 5.411 1.00 1.28 N ATOM 2667 CA ALA A 170 10.915 13.892 4.214 1.00 1.48 C ATOM 2668 C ALA A 170 9.803 14.081 3.162 1.00 1.63 C ATOM 2669 O ALA A 170 9.998 14.826 2.203 1.00 1.95 O ATOM 2670 CB ALA A 170 12.096 13.175 3.584 1.00 1.58 C ATOM 0 H ALA A 170 10.885 12.180 5.422 1.00 1.28 H new ATOM 0 HA ALA A 170 11.154 14.904 4.542 1.00 1.48 H new ATOM 0 HB1 ALA A 170 12.410 13.709 2.687 1.00 1.58 H new ATOM 0 HB2 ALA A 170 12.922 13.141 4.294 1.00 1.58 H new ATOM 0 HB3 ALA A 170 11.805 12.159 3.317 1.00 1.58 H new ATOM 2676 N LEU A 171 8.725 13.295 3.244 1.00 1.36 N ATOM 2677 CA LEU A 171 7.744 13.056 2.176 1.00 1.46 C ATOM 2678 C LEU A 171 6.329 13.503 2.584 1.00 1.87 C ATOM 2679 O LEU A 171 5.348 13.042 2.004 1.00 2.41 O ATOM 2680 CB LEU A 171 7.782 11.566 1.779 1.00 1.38 C ATOM 2681 CG LEU A 171 9.176 11.013 1.421 1.00 1.28 C ATOM 2682 CD1 LEU A 171 9.066 9.513 1.142 1.00 1.67 C ATOM 2683 CD2 LEU A 171 9.794 11.718 0.203 1.00 1.58 C ATOM 0 H LEU A 171 8.500 12.783 4.097 1.00 1.36 H new ATOM 0 HA LEU A 171 8.012 13.661 1.310 1.00 1.46 H new ATOM 0 HB2 LEU A 171 7.377 10.978 2.602 1.00 1.38 H new ATOM 0 HB3 LEU A 171 7.121 11.418 0.925 1.00 1.38 H new ATOM 0 HG LEU A 171 9.833 11.200 2.271 1.00 1.28 H new ATOM 0 HD11 LEU A 171 10.049 9.117 0.888 1.00 1.67 H new ATOM 0 HD12 LEU A 171 8.688 9.005 2.029 1.00 1.67 H new ATOM 0 HD13 LEU A 171 8.382 9.347 0.310 1.00 1.67 H new ATOM 0 HD21 LEU A 171 10.775 11.291 -0.006 1.00 1.58 H new ATOM 0 HD22 LEU A 171 9.147 11.582 -0.663 1.00 1.58 H new ATOM 0 HD23 LEU A 171 9.899 12.782 0.413 1.00 1.58 H new ATOM 2695 N LEU A 172 6.242 14.409 3.563 1.00 1.60 N ATOM 2696 CA LEU A 172 5.011 15.064 4.035 1.00 1.69 C ATOM 2697 C LEU A 172 4.548 16.266 3.173 1.00 2.04 C ATOM 2698 O LEU A 172 3.341 16.601 3.252 1.00 2.47 O ATOM 2699 CB LEU A 172 5.142 15.226 5.560 1.00 1.85 C ATOM 2700 CG LEU A 172 5.779 16.530 6.034 1.00 2.28 C ATOM 2701 CD1 LEU A 172 4.672 17.563 6.225 1.00 3.59 C ATOM 2702 CD2 LEU A 172 6.469 16.298 7.376 1.00 2.53 C ATOM 2703 OXT LEU A 172 5.345 16.786 2.360 1.00 2.57 O ATOM 0 H LEU A 172 7.067 14.723 4.075 1.00 1.60 H new ATOM 0 HA LEU A 172 4.128 14.446 3.873 1.00 1.69 H new ATOM 0 HB2 LEU A 172 4.149 15.146 6.002 1.00 1.85 H new ATOM 0 HB3 LEU A 172 5.731 14.394 5.946 1.00 1.85 H new ATOM 0 HG LEU A 172 6.508 16.877 5.302 1.00 2.28 H new ATOM 0 HD11 LEU A 172 5.106 18.503 6.564 1.00 3.59 H new ATOM 0 HD12 LEU A 172 4.156 17.722 5.278 1.00 3.59 H new ATOM 0 HD13 LEU A 172 3.962 17.202 6.969 1.00 3.59 H new ATOM 0 HD21 LEU A 172 6.925 17.228 7.716 1.00 2.53 H new ATOM 0 HD22 LEU A 172 5.735 15.964 8.109 1.00 2.53 H new ATOM 0 HD23 LEU A 172 7.241 15.537 7.262 1.00 2.53 H new