USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot 18:sc= 0.164 USER MOD Set 1.2: A 105 SER OG : rot 154:sc= 1.21 USER MOD Set 2.1: A 98 HIS : no HE2:sc= -1.01 K(o=0.7,f=-1.5) USER MOD Set 2.2: A 100 SER OG : rot -144:sc= 1.71 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.472 K(o=1.6,f=-0.47) USER MOD Set 3.2: A 15 LYS NZ :NH3+ 138:sc= 1.08 (180deg=-0.172) USER MOD Single : A 7 TYR OH : rot -159:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 31 SER OG : rot -111:sc= 1.25 USER MOD Single : A 32 GLN : amide:sc= 0.308 K(o=0.31,f=-8.8!) USER MOD Single : A 34 GLN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 2.39 (180deg=2.27) USER MOD Single : A 45 THR OG1 : rot -125:sc= 1.24 USER MOD Single : A 47 CYS SG : rot 96:sc= 0.517 USER MOD Single : A 51 CYS SG : rot -108:sc= 1.23 USER MOD Single : A 53 THR OG1 : rot 161:sc= 1.26 USER MOD Single : A 54 THR OG1 : rot -47:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.29 (180deg=1.04) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 1.14 (180deg=0.497) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.25) USER MOD Single : A 70 GLN :FLIP amide:sc= 0.667 F(o=-0.24,f=0.67) USER MOD Single : A 74 GLN : amide:sc= 0.608 K(o=0.61,f=-2.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.18) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.8) USER MOD Single : A 117 THR OG1 : rot -166:sc= 0.55 USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.941 K(o=0.94,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= 1.82 (180deg=1.22) USER MOD Single : A 137 HIS : no HE2:sc= 0.295 K(o=0.29,f=-3.3!) USER MOD Single : A 138 THR OG1 : rot 147:sc= 0.668 USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -169:sc= 0.254 (180deg=-0.201) USER MOD Single : A 153 TYR OH : rot -32:sc= 1.39 USER MOD Single : A 154 SER OG : rot -125:sc= 1.28 USER MOD Single : A 157 LYS NZ :NH3+ -171:sc= 0.188 (180deg=-0.2) USER MOD Single : A 161 THR OG1 : rot -97:sc= 0.607 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.721 5.066 4.025 1.00 1.65 N ATOM 90 CA TYR A 7 17.150 3.700 3.659 1.00 1.79 C ATOM 91 C TYR A 7 16.352 3.016 2.526 1.00 1.79 C ATOM 92 O TYR A 7 16.744 1.919 2.115 1.00 1.93 O ATOM 93 CB TYR A 7 17.188 2.748 4.879 1.00 2.14 C ATOM 94 CG TYR A 7 15.859 2.125 5.279 1.00 1.63 C ATOM 95 CD1 TYR A 7 14.733 2.942 5.475 1.00 3.27 C ATOM 96 CD2 TYR A 7 15.739 0.725 5.441 1.00 1.98 C ATOM 97 CE1 TYR A 7 13.507 2.368 5.833 1.00 4.35 C ATOM 98 CE2 TYR A 7 14.508 0.148 5.823 1.00 2.54 C ATOM 99 CZ TYR A 7 13.391 0.985 6.038 1.00 3.65 C ATOM 100 OH TYR A 7 12.213 0.497 6.494 1.00 5.00 O ATOM 0 HA TYR A 7 18.154 3.871 3.270 1.00 1.79 H new ATOM 0 HB2 TYR A 7 17.894 1.945 4.667 1.00 2.14 H new ATOM 0 HB3 TYR A 7 17.580 3.300 5.733 1.00 2.14 H new ATOM 0 HD1 TYR A 7 14.813 4.012 5.350 1.00 3.27 H new ATOM 0 HD2 TYR A 7 16.597 0.091 5.271 1.00 1.98 H new ATOM 0 HE1 TYR A 7 12.639 2.999 5.953 1.00 4.35 H new ATOM 0 HE2 TYR A 7 14.422 -0.921 5.949 1.00 2.54 H new ATOM 0 HH TYR A 7 12.358 -0.384 6.898 1.00 5.00 H new ATOM 110 N GLY A 8 15.231 3.567 2.044 1.00 1.40 N ATOM 111 CA GLY A 8 14.440 2.925 0.981 1.00 1.22 C ATOM 112 C GLY A 8 14.985 3.177 -0.427 1.00 1.25 C ATOM 113 O GLY A 8 16.003 3.845 -0.611 1.00 1.62 O ATOM 0 H GLY A 8 14.850 4.455 2.371 1.00 1.40 H new ATOM 0 HA2 GLY A 8 14.408 1.851 1.162 1.00 1.22 H new ATOM 0 HA3 GLY A 8 13.414 3.288 1.034 1.00 1.22 H new ATOM 117 N THR A 9 14.295 2.660 -1.453 1.00 0.98 N ATOM 118 CA THR A 9 14.640 2.915 -2.865 1.00 1.01 C ATOM 119 C THR A 9 14.096 4.284 -3.261 1.00 1.11 C ATOM 120 O THR A 9 12.939 4.438 -3.663 1.00 1.00 O ATOM 121 CB THR A 9 14.098 1.832 -3.787 1.00 1.07 C ATOM 122 OG1 THR A 9 14.398 0.555 -3.272 1.00 1.22 O ATOM 123 CG2 THR A 9 14.676 1.914 -5.200 1.00 1.35 C ATOM 0 H THR A 9 13.483 2.054 -1.332 1.00 0.98 H new ATOM 0 HA THR A 9 15.725 2.900 -2.970 1.00 1.01 H new ATOM 0 HB THR A 9 13.021 1.992 -3.840 1.00 1.07 H new ATOM 0 HG1 THR A 9 14.042 -0.132 -3.874 1.00 1.22 H new ATOM 0 HG21 THR A 9 14.254 1.117 -5.813 1.00 1.35 H new ATOM 0 HG22 THR A 9 14.428 2.880 -5.639 1.00 1.35 H new ATOM 0 HG23 THR A 9 15.759 1.803 -5.157 1.00 1.35 H new ATOM 131 N ARG A 10 14.931 5.303 -3.079 1.00 1.01 N ATOM 132 CA ARG A 10 14.536 6.699 -3.243 1.00 0.93 C ATOM 133 C ARG A 10 14.601 7.150 -4.699 1.00 1.36 C ATOM 134 O ARG A 10 15.581 6.940 -5.406 1.00 1.60 O ATOM 135 CB ARG A 10 15.316 7.604 -2.284 1.00 0.99 C ATOM 136 CG ARG A 10 14.531 8.899 -2.011 1.00 1.29 C ATOM 137 CD ARG A 10 15.269 9.741 -0.970 1.00 1.88 C ATOM 138 NE ARG A 10 14.395 10.696 -0.265 1.00 2.67 N ATOM 139 CZ ARG A 10 13.944 11.869 -0.704 1.00 3.05 C ATOM 140 NH1 ARG A 10 14.092 12.265 -1.956 1.00 3.17 N ATOM 141 NH2 ARG A 10 13.330 12.673 0.137 1.00 4.16 N ATOM 0 H ARG A 10 15.908 5.183 -2.812 1.00 1.01 H new ATOM 0 HA ARG A 10 13.485 6.788 -2.967 1.00 0.93 H new ATOM 0 HB2 ARG A 10 15.500 7.079 -1.347 1.00 0.99 H new ATOM 0 HB3 ARG A 10 16.289 7.844 -2.711 1.00 0.99 H new ATOM 0 HG2 ARG A 10 14.414 9.466 -2.935 1.00 1.29 H new ATOM 0 HG3 ARG A 10 13.529 8.660 -1.655 1.00 1.29 H new ATOM 0 HD2 ARG A 10 15.734 9.078 -0.240 1.00 1.88 H new ATOM 0 HD3 ARG A 10 16.073 10.289 -1.461 1.00 1.88 H new ATOM 0 HE ARG A 10 14.100 10.425 0.673 1.00 2.67 H new ATOM 0 HH11 ARG A 10 14.568 11.663 -2.628 1.00 3.17 H new ATOM 0 HH12 ARG A 10 13.731 13.172 -2.250 1.00 3.17 H new ATOM 0 HH21 ARG A 10 13.205 12.394 1.110 1.00 4.16 H new ATOM 0 HH22 ARG A 10 12.979 13.575 -0.184 1.00 4.16 H new ATOM 155 N LEU A 11 13.531 7.808 -5.138 1.00 0.87 N ATOM 156 CA LEU A 11 13.214 7.967 -6.566 1.00 0.97 C ATOM 157 C LEU A 11 13.782 9.241 -7.208 1.00 1.47 C ATOM 158 O LEU A 11 13.399 9.564 -8.334 1.00 2.87 O ATOM 159 CB LEU A 11 11.686 7.849 -6.747 1.00 0.89 C ATOM 160 CG LEU A 11 11.110 6.449 -6.447 1.00 0.96 C ATOM 161 CD1 LEU A 11 9.615 6.469 -6.770 1.00 1.12 C ATOM 162 CD2 LEU A 11 11.788 5.348 -7.278 1.00 1.09 C ATOM 0 H LEU A 11 12.854 8.250 -4.516 1.00 0.87 H new ATOM 0 HA LEU A 11 13.717 7.165 -7.107 1.00 0.97 H new ATOM 0 HB2 LEU A 11 11.199 8.575 -6.096 1.00 0.89 H new ATOM 0 HB3 LEU A 11 11.433 8.120 -7.772 1.00 0.89 H new ATOM 0 HG LEU A 11 11.291 6.223 -5.396 1.00 0.96 H new ATOM 0 HD11 LEU A 11 9.185 5.488 -6.565 1.00 1.12 H new ATOM 0 HD12 LEU A 11 9.119 7.218 -6.153 1.00 1.12 H new ATOM 0 HD13 LEU A 11 9.473 6.715 -7.822 1.00 1.12 H new ATOM 0 HD21 LEU A 11 11.348 4.382 -7.030 1.00 1.09 H new ATOM 0 HD22 LEU A 11 11.643 5.552 -8.339 1.00 1.09 H new ATOM 0 HD23 LEU A 11 12.855 5.328 -7.055 1.00 1.09 H new ATOM 174 N LEU A 12 14.657 9.960 -6.494 1.00 1.59 N ATOM 175 CA LEU A 12 15.168 11.292 -6.830 1.00 1.82 C ATOM 176 C LEU A 12 13.986 12.274 -6.868 1.00 2.77 C ATOM 177 O LEU A 12 13.466 12.628 -5.809 1.00 3.67 O ATOM 178 CB LEU A 12 16.049 11.285 -8.109 1.00 1.81 C ATOM 179 CG LEU A 12 17.387 10.512 -8.065 1.00 1.80 C ATOM 180 CD1 LEU A 12 18.259 10.921 -6.870 1.00 2.71 C ATOM 181 CD2 LEU A 12 17.216 8.983 -8.092 1.00 3.36 C ATOM 0 H LEU A 12 15.048 9.608 -5.620 1.00 1.59 H new ATOM 0 HA LEU A 12 15.855 11.635 -6.057 1.00 1.82 H new ATOM 0 HB2 LEU A 12 15.452 10.873 -8.923 1.00 1.81 H new ATOM 0 HB3 LEU A 12 16.270 12.321 -8.368 1.00 1.81 H new ATOM 0 HG LEU A 12 17.899 10.797 -8.984 1.00 1.80 H new ATOM 0 HD11 LEU A 12 19.187 10.350 -6.884 1.00 2.71 H new ATOM 0 HD12 LEU A 12 18.487 11.985 -6.933 1.00 2.71 H new ATOM 0 HD13 LEU A 12 17.723 10.719 -5.943 1.00 2.71 H new ATOM 0 HD21 LEU A 12 18.196 8.507 -8.059 1.00 3.36 H new ATOM 0 HD22 LEU A 12 16.629 8.667 -7.229 1.00 3.36 H new ATOM 0 HD23 LEU A 12 16.701 8.691 -9.007 1.00 3.36 H new ATOM 193 N ASN A 13 13.535 12.673 -8.055 1.00 2.79 N ATOM 194 CA ASN A 13 12.322 13.469 -8.238 1.00 3.49 C ATOM 195 C ASN A 13 11.040 12.619 -8.053 1.00 3.20 C ATOM 196 O ASN A 13 11.050 11.424 -8.362 1.00 3.25 O ATOM 197 CB ASN A 13 12.353 14.113 -9.636 1.00 4.25 C ATOM 198 CG ASN A 13 11.944 13.142 -10.743 1.00 3.56 C ATOM 199 OD1 ASN A 13 12.558 12.108 -10.970 1.00 3.39 O ATOM 200 ND2 ASN A 13 10.835 13.391 -11.408 1.00 4.44 N ATOM 0 H ASN A 13 14.009 12.449 -8.930 1.00 2.79 H new ATOM 0 HA ASN A 13 12.297 14.246 -7.474 1.00 3.49 H new ATOM 0 HB2 ASN A 13 11.685 14.974 -9.649 1.00 4.25 H new ATOM 0 HB3 ASN A 13 13.357 14.485 -9.838 1.00 4.25 H new ATOM 0 HD21 ASN A 13 10.497 12.726 -12.103 1.00 4.44 H new ATOM 0 HD22 ASN A 13 10.314 14.249 -11.228 1.00 4.44 H new ATOM 207 N PRO A 14 9.907 13.226 -7.658 1.00 2.86 N ATOM 208 CA PRO A 14 8.612 12.565 -7.701 1.00 2.37 C ATOM 209 C PRO A 14 8.108 12.405 -9.135 1.00 2.03 C ATOM 210 O PRO A 14 8.192 13.310 -9.964 1.00 2.07 O ATOM 211 CB PRO A 14 7.678 13.449 -6.872 1.00 2.56 C ATOM 212 CG PRO A 14 8.273 14.848 -7.031 1.00 2.77 C ATOM 213 CD PRO A 14 9.773 14.585 -7.143 1.00 3.03 C ATOM 0 HA PRO A 14 8.666 11.553 -7.301 1.00 2.37 H new ATOM 0 HB2 PRO A 14 6.653 13.405 -7.240 1.00 2.56 H new ATOM 0 HB3 PRO A 14 7.655 13.139 -5.827 1.00 2.56 H new ATOM 0 HG2 PRO A 14 7.886 15.351 -7.917 1.00 2.77 H new ATOM 0 HG3 PRO A 14 8.039 15.483 -6.177 1.00 2.77 H new ATOM 0 HD2 PRO A 14 10.246 15.304 -7.812 1.00 3.03 H new ATOM 0 HD3 PRO A 14 10.260 14.684 -6.173 1.00 3.03 H new ATOM 221 N LYS A 15 7.532 11.234 -9.391 1.00 1.90 N ATOM 222 CA LYS A 15 6.730 10.932 -10.578 1.00 1.82 C ATOM 223 C LYS A 15 5.240 11.032 -10.220 1.00 1.92 C ATOM 224 O LYS A 15 4.858 10.418 -9.222 1.00 1.95 O ATOM 225 CB LYS A 15 7.022 9.486 -11.007 1.00 1.88 C ATOM 226 CG LYS A 15 8.061 9.341 -12.129 1.00 2.71 C ATOM 227 CD LYS A 15 9.463 9.838 -11.772 1.00 5.13 C ATOM 228 CE LYS A 15 9.983 9.153 -10.507 1.00 6.21 C ATOM 229 NZ LYS A 15 11.423 9.473 -10.305 1.00 8.50 N ATOM 0 H LYS A 15 7.612 10.439 -8.757 1.00 1.90 H new ATOM 0 HA LYS A 15 6.973 11.632 -11.377 1.00 1.82 H new ATOM 0 HB2 LYS A 15 7.368 8.927 -10.137 1.00 1.88 H new ATOM 0 HB3 LYS A 15 6.090 9.024 -11.333 1.00 1.88 H new ATOM 0 HG2 LYS A 15 8.124 8.291 -12.413 1.00 2.71 H new ATOM 0 HG3 LYS A 15 7.709 9.887 -13.004 1.00 2.71 H new ATOM 0 HD2 LYS A 15 10.144 9.643 -12.601 1.00 5.13 H new ATOM 0 HD3 LYS A 15 9.443 10.918 -11.623 1.00 5.13 H new ATOM 0 HE2 LYS A 15 9.405 9.481 -9.643 1.00 6.21 H new ATOM 0 HE3 LYS A 15 9.850 8.074 -10.588 1.00 6.21 H new ATOM 0 HZ1 LYS A 15 11.597 9.669 -9.299 1.00 8.50 H new ATOM 0 HZ2 LYS A 15 12.004 8.664 -10.606 1.00 8.50 H new ATOM 0 HZ3 LYS A 15 11.675 10.309 -10.869 1.00 8.50 H new ATOM 243 N PRO A 16 4.384 11.731 -10.985 1.00 1.65 N ATOM 244 CA PRO A 16 2.943 11.657 -10.777 1.00 1.51 C ATOM 245 C PRO A 16 2.498 10.228 -11.082 1.00 1.43 C ATOM 246 O PRO A 16 2.928 9.670 -12.088 1.00 1.35 O ATOM 247 CB PRO A 16 2.337 12.702 -11.716 1.00 1.63 C ATOM 248 CG PRO A 16 3.348 12.780 -12.863 1.00 1.75 C ATOM 249 CD PRO A 16 4.693 12.464 -12.204 1.00 1.80 C ATOM 0 HA PRO A 16 2.622 11.872 -9.758 1.00 1.51 H new ATOM 0 HB2 PRO A 16 1.351 12.400 -12.070 1.00 1.63 H new ATOM 0 HB3 PRO A 16 2.217 13.665 -11.221 1.00 1.63 H new ATOM 0 HG2 PRO A 16 3.113 12.064 -13.650 1.00 1.75 H new ATOM 0 HG3 PRO A 16 3.353 13.768 -13.323 1.00 1.75 H new ATOM 0 HD2 PRO A 16 5.322 11.870 -12.867 1.00 1.80 H new ATOM 0 HD3 PRO A 16 5.242 13.379 -11.980 1.00 1.80 H new ATOM 257 N VAL A 17 1.709 9.628 -10.191 1.00 1.14 N ATOM 258 CA VAL A 17 1.279 8.221 -10.312 1.00 1.14 C ATOM 259 C VAL A 17 -0.180 8.083 -9.857 1.00 1.38 C ATOM 260 O VAL A 17 -0.581 8.726 -8.888 1.00 1.57 O ATOM 261 CB VAL A 17 2.217 7.233 -9.559 1.00 1.29 C ATOM 262 CG1 VAL A 17 3.672 7.209 -10.102 1.00 1.71 C ATOM 263 CG2 VAL A 17 2.247 7.472 -8.042 1.00 1.21 C ATOM 0 H VAL A 17 1.346 10.098 -9.362 1.00 1.14 H new ATOM 0 HA VAL A 17 1.348 7.942 -11.364 1.00 1.14 H new ATOM 0 HB VAL A 17 1.772 6.257 -9.753 1.00 1.29 H new ATOM 0 HG11 VAL A 17 4.264 6.497 -9.526 1.00 1.71 H new ATOM 0 HG12 VAL A 17 3.664 6.910 -11.150 1.00 1.71 H new ATOM 0 HG13 VAL A 17 4.111 8.203 -10.011 1.00 1.71 H new ATOM 0 HG21 VAL A 17 2.918 6.752 -7.573 1.00 1.21 H new ATOM 0 HG22 VAL A 17 2.601 8.483 -7.840 1.00 1.21 H new ATOM 0 HG23 VAL A 17 1.243 7.351 -7.635 1.00 1.21 H new ATOM 273 N ASP A 18 -0.972 7.268 -10.562 1.00 1.17 N ATOM 274 CA ASP A 18 -2.426 7.136 -10.365 1.00 1.04 C ATOM 275 C ASP A 18 -2.951 5.774 -10.863 1.00 1.23 C ATOM 276 O ASP A 18 -2.269 5.041 -11.583 1.00 1.68 O ATOM 277 CB ASP A 18 -3.157 8.326 -11.037 1.00 1.18 C ATOM 278 CG ASP A 18 -4.641 8.474 -10.661 1.00 1.27 C ATOM 279 OD1 ASP A 18 -5.075 7.964 -9.603 1.00 2.34 O ATOM 280 OD2 ASP A 18 -5.394 9.149 -11.394 1.00 1.78 O ATOM 0 H ASP A 18 -0.615 6.666 -11.304 1.00 1.17 H new ATOM 0 HA ASP A 18 -2.636 7.167 -9.296 1.00 1.04 H new ATOM 0 HB2 ASP A 18 -2.637 9.247 -10.774 1.00 1.18 H new ATOM 0 HB3 ASP A 18 -3.081 8.215 -12.119 1.00 1.18 H new ATOM 285 N PHE A 19 -4.174 5.428 -10.452 1.00 0.93 N ATOM 286 CA PHE A 19 -4.838 4.153 -10.715 1.00 0.98 C ATOM 287 C PHE A 19 -6.345 4.223 -10.436 1.00 1.64 C ATOM 288 O PHE A 19 -6.842 5.176 -9.841 1.00 1.78 O ATOM 289 CB PHE A 19 -4.180 3.038 -9.888 1.00 1.09 C ATOM 290 CG PHE A 19 -4.325 3.143 -8.377 1.00 1.18 C ATOM 291 CD1 PHE A 19 -5.422 2.552 -7.718 1.00 2.07 C ATOM 292 CD2 PHE A 19 -3.336 3.796 -7.620 1.00 2.59 C ATOM 293 CE1 PHE A 19 -5.526 2.615 -6.319 1.00 1.96 C ATOM 294 CE2 PHE A 19 -3.426 3.830 -6.214 1.00 2.64 C ATOM 295 CZ PHE A 19 -4.526 3.251 -5.562 1.00 1.37 C ATOM 0 H PHE A 19 -4.754 6.061 -9.901 1.00 0.93 H new ATOM 0 HA PHE A 19 -4.721 3.927 -11.775 1.00 0.98 H new ATOM 0 HB2 PHE A 19 -4.599 2.083 -10.206 1.00 1.09 H new ATOM 0 HB3 PHE A 19 -3.117 3.015 -10.129 1.00 1.09 H new ATOM 0 HD1 PHE A 19 -6.186 2.048 -8.292 1.00 2.07 H new ATOM 0 HD2 PHE A 19 -2.505 4.273 -8.118 1.00 2.59 H new ATOM 0 HE1 PHE A 19 -6.377 2.173 -5.822 1.00 1.96 H new ATOM 0 HE2 PHE A 19 -2.646 4.303 -5.636 1.00 2.64 H new ATOM 0 HZ PHE A 19 -4.604 3.294 -4.486 1.00 1.37 H new ATOM 305 N ALA A 20 -7.061 3.162 -10.814 1.00 1.06 N ATOM 306 CA ALA A 20 -8.474 2.959 -10.511 1.00 1.05 C ATOM 307 C ALA A 20 -8.683 1.590 -9.842 1.00 1.13 C ATOM 308 O ALA A 20 -8.223 0.577 -10.360 1.00 1.32 O ATOM 309 CB ALA A 20 -9.254 3.075 -11.825 1.00 1.24 C ATOM 0 H ALA A 20 -6.658 2.398 -11.356 1.00 1.06 H new ATOM 0 HA ALA A 20 -8.834 3.711 -9.809 1.00 1.05 H new ATOM 0 HB1 ALA A 20 -10.317 2.928 -11.632 1.00 1.24 H new ATOM 0 HB2 ALA A 20 -9.097 4.064 -12.255 1.00 1.24 H new ATOM 0 HB3 ALA A 20 -8.904 2.316 -12.524 1.00 1.24 H new ATOM 315 N LEU A 21 -9.359 1.589 -8.689 1.00 0.84 N ATOM 316 CA LEU A 21 -9.767 0.417 -7.916 1.00 0.74 C ATOM 317 C LEU A 21 -11.164 0.629 -7.337 1.00 0.93 C ATOM 318 O LEU A 21 -11.623 1.763 -7.215 1.00 1.13 O ATOM 319 CB LEU A 21 -8.798 0.231 -6.732 1.00 0.67 C ATOM 320 CG LEU A 21 -8.074 -1.114 -6.620 1.00 0.89 C ATOM 321 CD1 LEU A 21 -9.017 -2.315 -6.515 1.00 1.21 C ATOM 322 CD2 LEU A 21 -7.083 -1.318 -7.760 1.00 1.24 C ATOM 0 H LEU A 21 -9.652 2.460 -8.246 1.00 0.84 H new ATOM 0 HA LEU A 21 -9.759 -0.453 -8.573 1.00 0.74 H new ATOM 0 HB2 LEU A 21 -8.044 1.016 -6.787 1.00 0.67 H new ATOM 0 HB3 LEU A 21 -9.358 0.390 -5.810 1.00 0.67 H new ATOM 0 HG LEU A 21 -7.526 -1.064 -5.679 1.00 0.89 H new ATOM 0 HD11 LEU A 21 -8.432 -3.231 -6.439 1.00 1.21 H new ATOM 0 HD12 LEU A 21 -9.643 -2.210 -5.629 1.00 1.21 H new ATOM 0 HD13 LEU A 21 -9.649 -2.360 -7.402 1.00 1.21 H new ATOM 0 HD21 LEU A 21 -6.590 -2.283 -7.645 1.00 1.24 H new ATOM 0 HD22 LEU A 21 -7.613 -1.293 -8.712 1.00 1.24 H new ATOM 0 HD23 LEU A 21 -6.336 -0.524 -7.739 1.00 1.24 H new ATOM 334 N GLU A 22 -11.744 -0.447 -6.822 1.00 0.65 N ATOM 335 CA GLU A 22 -12.957 -0.410 -6.013 1.00 0.63 C ATOM 336 C GLU A 22 -12.670 -0.743 -4.552 1.00 1.05 C ATOM 337 O GLU A 22 -11.703 -1.425 -4.213 1.00 1.25 O ATOM 338 CB GLU A 22 -14.012 -1.375 -6.570 1.00 0.59 C ATOM 339 CG GLU A 22 -14.843 -0.718 -7.671 1.00 1.60 C ATOM 340 CD GLU A 22 -14.016 -0.380 -8.912 1.00 2.97 C ATOM 341 OE1 GLU A 22 -13.506 -1.332 -9.544 1.00 3.39 O ATOM 342 OE2 GLU A 22 -13.880 0.830 -9.200 1.00 4.33 O ATOM 0 H GLU A 22 -11.378 -1.389 -6.957 1.00 0.65 H new ATOM 0 HA GLU A 22 -13.345 0.608 -6.060 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -13.521 -2.265 -6.964 1.00 0.59 H new ATOM 0 HB3 GLU A 22 -14.668 -1.704 -5.764 1.00 0.59 H new ATOM 0 HG2 GLU A 22 -15.658 -1.385 -7.953 1.00 1.60 H new ATOM 0 HG3 GLU A 22 -15.297 0.194 -7.283 1.00 1.60 H new ATOM 349 N GLY A 23 -13.566 -0.263 -3.695 1.00 0.71 N ATOM 350 CA GLY A 23 -13.697 -0.635 -2.285 1.00 0.69 C ATOM 351 C GLY A 23 -15.151 -0.997 -1.963 1.00 0.75 C ATOM 352 O GLY A 23 -16.007 -0.894 -2.848 1.00 0.93 O ATOM 0 H GLY A 23 -14.257 0.432 -3.977 1.00 0.71 H new ATOM 0 HA2 GLY A 23 -13.047 -1.481 -2.063 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -13.372 0.191 -1.652 1.00 0.69 H new ATOM 356 N PRO A 24 -15.481 -1.362 -0.711 1.00 0.68 N ATOM 357 CA PRO A 24 -16.813 -1.847 -0.319 1.00 0.92 C ATOM 358 C PRO A 24 -17.933 -0.779 -0.326 1.00 1.21 C ATOM 359 O PRO A 24 -18.980 -0.980 0.283 1.00 1.29 O ATOM 360 CB PRO A 24 -16.599 -2.505 1.052 1.00 1.00 C ATOM 361 CG PRO A 24 -15.424 -1.730 1.642 1.00 0.95 C ATOM 362 CD PRO A 24 -14.558 -1.445 0.415 1.00 0.71 C ATOM 0 HA PRO A 24 -17.195 -2.551 -1.059 1.00 0.92 H new ATOM 0 HB2 PRO A 24 -17.487 -2.425 1.678 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -16.372 -3.567 0.956 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -15.749 -0.811 2.130 1.00 0.95 H new ATOM 0 HG3 PRO A 24 -14.888 -2.315 2.389 1.00 0.95 H new ATOM 0 HD2 PRO A 24 -14.003 -0.515 0.535 1.00 0.71 H new ATOM 0 HD3 PRO A 24 -13.824 -2.236 0.262 1.00 0.71 H new ATOM 370 N GLN A 25 -17.753 0.352 -1.026 1.00 1.09 N ATOM 371 CA GLN A 25 -18.770 1.400 -1.147 1.00 1.29 C ATOM 372 C GLN A 25 -18.645 2.242 -2.439 1.00 1.41 C ATOM 373 O GLN A 25 -19.199 3.340 -2.504 1.00 1.63 O ATOM 374 CB GLN A 25 -18.764 2.267 0.132 1.00 1.44 C ATOM 375 CG GLN A 25 -20.130 2.925 0.413 1.00 2.62 C ATOM 376 CD GLN A 25 -20.019 4.427 0.648 1.00 3.22 C ATOM 377 OE1 GLN A 25 -20.156 4.923 1.752 1.00 3.50 O ATOM 378 NE2 GLN A 25 -19.738 5.201 -0.379 1.00 4.31 N ATOM 0 H GLN A 25 -16.890 0.563 -1.527 1.00 1.09 H new ATOM 0 HA GLN A 25 -19.741 0.914 -1.241 1.00 1.29 H new ATOM 0 HB2 GLN A 25 -18.482 1.648 0.984 1.00 1.44 H new ATOM 0 HB3 GLN A 25 -18.005 3.043 0.036 1.00 1.44 H new ATOM 0 HG2 GLN A 25 -20.798 2.741 -0.428 1.00 2.62 H new ATOM 0 HG3 GLN A 25 -20.582 2.456 1.287 1.00 2.62 H new ATOM 0 HE21 GLN A 25 -19.621 4.794 -1.307 1.00 4.31 H new ATOM 0 HE22 GLN A 25 -19.637 6.207 -0.247 1.00 4.31 H new ATOM 387 N GLY A 26 -17.928 1.767 -3.474 1.00 1.14 N ATOM 388 CA GLY A 26 -17.791 2.467 -4.759 1.00 1.13 C ATOM 389 C GLY A 26 -16.377 2.465 -5.365 1.00 1.23 C ATOM 390 O GLY A 26 -15.465 1.856 -4.801 1.00 1.49 O ATOM 0 H GLY A 26 -17.425 0.880 -3.439 1.00 1.14 H new ATOM 0 HA2 GLY A 26 -18.475 2.013 -5.475 1.00 1.13 H new ATOM 0 HA3 GLY A 26 -18.109 3.501 -4.626 1.00 1.13 H new ATOM 394 N PRO A 27 -16.207 3.126 -6.528 1.00 1.02 N ATOM 395 CA PRO A 27 -14.932 3.277 -7.224 1.00 1.14 C ATOM 396 C PRO A 27 -14.061 4.355 -6.575 1.00 1.23 C ATOM 397 O PRO A 27 -14.558 5.377 -6.104 1.00 1.08 O ATOM 398 CB PRO A 27 -15.309 3.665 -8.658 1.00 1.20 C ATOM 399 CG PRO A 27 -16.601 4.455 -8.477 1.00 1.04 C ATOM 400 CD PRO A 27 -17.277 3.737 -7.308 1.00 0.94 C ATOM 0 HA PRO A 27 -14.342 2.361 -7.187 1.00 1.14 H new ATOM 0 HB2 PRO A 27 -14.532 4.266 -9.130 1.00 1.20 H new ATOM 0 HB3 PRO A 27 -15.458 2.787 -9.287 1.00 1.20 H new ATOM 0 HG2 PRO A 27 -16.406 5.503 -8.249 1.00 1.04 H new ATOM 0 HG3 PRO A 27 -17.217 4.433 -9.376 1.00 1.04 H new ATOM 0 HD2 PRO A 27 -17.850 4.438 -6.700 1.00 0.94 H new ATOM 0 HD3 PRO A 27 -17.976 2.982 -7.668 1.00 0.94 H new ATOM 408 N VAL A 28 -12.743 4.165 -6.610 1.00 0.93 N ATOM 409 CA VAL A 28 -11.732 5.008 -5.953 1.00 0.90 C ATOM 410 C VAL A 28 -10.553 5.206 -6.911 1.00 1.11 C ATOM 411 O VAL A 28 -10.106 4.258 -7.552 1.00 1.06 O ATOM 412 CB VAL A 28 -11.236 4.367 -4.629 1.00 1.05 C ATOM 413 CG1 VAL A 28 -10.211 5.271 -3.918 1.00 1.32 C ATOM 414 CG2 VAL A 28 -12.393 4.096 -3.651 1.00 1.62 C ATOM 0 H VAL A 28 -12.327 3.385 -7.119 1.00 0.93 H new ATOM 0 HA VAL A 28 -12.183 5.969 -5.707 1.00 0.90 H new ATOM 0 HB VAL A 28 -10.770 3.422 -4.909 1.00 1.05 H new ATOM 0 HG11 VAL A 28 -9.884 4.793 -2.995 1.00 1.32 H new ATOM 0 HG12 VAL A 28 -9.351 5.429 -4.569 1.00 1.32 H new ATOM 0 HG13 VAL A 28 -10.672 6.231 -3.686 1.00 1.32 H new ATOM 0 HG21 VAL A 28 -12.001 3.647 -2.738 1.00 1.62 H new ATOM 0 HG22 VAL A 28 -12.892 5.034 -3.409 1.00 1.62 H new ATOM 0 HG23 VAL A 28 -13.107 3.414 -4.112 1.00 1.62 H new ATOM 424 N ARG A 29 -10.055 6.446 -7.015 1.00 0.83 N ATOM 425 CA ARG A 29 -8.871 6.778 -7.817 1.00 0.81 C ATOM 426 C ARG A 29 -7.896 7.600 -6.970 1.00 1.19 C ATOM 427 O ARG A 29 -8.328 8.482 -6.221 1.00 1.55 O ATOM 428 CB ARG A 29 -9.262 7.524 -9.105 1.00 1.03 C ATOM 429 CG ARG A 29 -10.052 6.649 -10.105 1.00 1.27 C ATOM 430 CD ARG A 29 -11.519 7.047 -10.337 1.00 1.97 C ATOM 431 NE ARG A 29 -12.366 6.924 -9.130 1.00 3.54 N ATOM 432 CZ ARG A 29 -12.853 7.925 -8.403 1.00 4.71 C ATOM 433 NH1 ARG A 29 -12.653 9.191 -8.700 1.00 4.70 N ATOM 434 NH2 ARG A 29 -13.557 7.709 -7.320 1.00 6.67 N ATOM 0 H ARG A 29 -10.465 7.251 -6.542 1.00 0.83 H new ATOM 0 HA ARG A 29 -8.379 5.854 -8.122 1.00 0.81 H new ATOM 0 HB2 ARG A 29 -9.862 8.396 -8.843 1.00 1.03 H new ATOM 0 HB3 ARG A 29 -8.359 7.893 -9.591 1.00 1.03 H new ATOM 0 HG2 ARG A 29 -9.534 6.671 -11.064 1.00 1.27 H new ATOM 0 HG3 ARG A 29 -10.027 5.618 -9.753 1.00 1.27 H new ATOM 0 HD2 ARG A 29 -11.555 8.077 -10.692 1.00 1.97 H new ATOM 0 HD3 ARG A 29 -11.935 6.422 -11.127 1.00 1.97 H new ATOM 0 HE ARG A 29 -12.599 5.979 -8.826 1.00 3.54 H new ATOM 0 HH11 ARG A 29 -12.102 9.441 -9.521 1.00 4.70 H new ATOM 0 HH12 ARG A 29 -13.049 9.922 -8.109 1.00 4.70 H new ATOM 0 HH21 ARG A 29 -13.744 6.754 -7.015 1.00 6.67 H new ATOM 0 HH22 ARG A 29 -13.918 8.496 -6.781 1.00 6.67 H new ATOM 448 N LEU A 30 -6.589 7.334 -7.077 1.00 0.62 N ATOM 449 CA LEU A 30 -5.547 7.990 -6.264 1.00 0.61 C ATOM 450 C LEU A 30 -5.486 9.497 -6.538 1.00 1.05 C ATOM 451 O LEU A 30 -5.241 10.281 -5.628 1.00 1.21 O ATOM 452 CB LEU A 30 -4.215 7.251 -6.503 1.00 0.72 C ATOM 453 CG LEU A 30 -2.974 7.602 -5.651 1.00 0.96 C ATOM 454 CD1 LEU A 30 -2.333 8.957 -5.987 1.00 2.28 C ATOM 455 CD2 LEU A 30 -3.253 7.491 -4.146 1.00 2.42 C ATOM 0 H LEU A 30 -6.217 6.651 -7.736 1.00 0.62 H new ATOM 0 HA LEU A 30 -5.784 7.919 -5.202 1.00 0.61 H new ATOM 0 HB2 LEU A 30 -4.407 6.186 -6.373 1.00 0.72 H new ATOM 0 HB3 LEU A 30 -3.944 7.401 -7.548 1.00 0.72 H new ATOM 0 HG LEU A 30 -2.238 6.846 -5.924 1.00 0.96 H new ATOM 0 HD11 LEU A 30 -1.470 9.121 -5.342 1.00 2.28 H new ATOM 0 HD12 LEU A 30 -2.013 8.960 -7.029 1.00 2.28 H new ATOM 0 HD13 LEU A 30 -3.061 9.753 -5.829 1.00 2.28 H new ATOM 0 HD21 LEU A 30 -2.352 7.747 -3.589 1.00 2.42 H new ATOM 0 HD22 LEU A 30 -4.055 8.177 -3.873 1.00 2.42 H new ATOM 0 HD23 LEU A 30 -3.550 6.470 -3.905 1.00 2.42 H new ATOM 467 N SER A 31 -5.837 9.928 -7.745 1.00 0.92 N ATOM 468 CA SER A 31 -6.057 11.338 -8.102 1.00 1.16 C ATOM 469 C SER A 31 -7.084 12.100 -7.233 1.00 1.41 C ATOM 470 O SER A 31 -7.079 13.333 -7.280 1.00 1.82 O ATOM 471 CB SER A 31 -6.423 11.455 -9.591 1.00 1.38 C ATOM 472 OG SER A 31 -7.234 10.383 -10.049 1.00 1.71 O ATOM 0 H SER A 31 -5.982 9.293 -8.530 1.00 0.92 H new ATOM 0 HA SER A 31 -5.107 11.830 -7.895 1.00 1.16 H new ATOM 0 HB2 SER A 31 -6.947 12.396 -9.758 1.00 1.38 H new ATOM 0 HB3 SER A 31 -5.508 11.490 -10.183 1.00 1.38 H new ATOM 0 HG SER A 31 -6.718 9.823 -10.666 1.00 1.71 H new ATOM 478 N GLN A 32 -7.912 11.438 -6.404 1.00 1.21 N ATOM 479 CA GLN A 32 -8.727 12.116 -5.377 1.00 1.40 C ATOM 480 C GLN A 32 -7.936 12.535 -4.127 1.00 1.66 C ATOM 481 O GLN A 32 -8.452 13.331 -3.346 1.00 1.85 O ATOM 482 CB GLN A 32 -9.911 11.239 -4.916 1.00 1.47 C ATOM 483 CG GLN A 32 -11.042 11.136 -5.955 1.00 2.22 C ATOM 484 CD GLN A 32 -12.417 10.715 -5.406 1.00 2.11 C ATOM 485 OE1 GLN A 32 -13.264 10.226 -6.141 1.00 2.96 O ATOM 486 NE2 GLN A 32 -12.740 10.895 -4.141 1.00 2.17 N ATOM 0 H GLN A 32 -8.035 10.426 -6.426 1.00 1.21 H new ATOM 0 HA GLN A 32 -9.085 13.018 -5.874 1.00 1.40 H new ATOM 0 HB2 GLN A 32 -9.544 10.238 -4.690 1.00 1.47 H new ATOM 0 HB3 GLN A 32 -10.316 11.647 -3.990 1.00 1.47 H new ATOM 0 HG2 GLN A 32 -11.148 12.103 -6.446 1.00 2.22 H new ATOM 0 HG3 GLN A 32 -10.743 10.421 -6.721 1.00 2.22 H new ATOM 0 HE21 GLN A 32 -12.063 11.300 -3.494 1.00 2.17 H new ATOM 0 HE22 GLN A 32 -13.667 10.629 -3.809 1.00 2.17 H new ATOM 495 N PHE A 33 -6.725 12.016 -3.904 1.00 1.12 N ATOM 496 CA PHE A 33 -5.933 12.231 -2.684 1.00 1.17 C ATOM 497 C PHE A 33 -4.592 12.927 -2.975 1.00 2.13 C ATOM 498 O PHE A 33 -3.628 12.778 -2.227 1.00 2.53 O ATOM 499 CB PHE A 33 -5.744 10.883 -1.964 1.00 1.29 C ATOM 500 CG PHE A 33 -7.031 10.124 -1.695 1.00 1.31 C ATOM 501 CD1 PHE A 33 -8.092 10.740 -0.998 1.00 2.67 C ATOM 502 CD2 PHE A 33 -7.179 8.803 -2.159 1.00 1.85 C ATOM 503 CE1 PHE A 33 -9.290 10.040 -0.771 1.00 2.88 C ATOM 504 CE2 PHE A 33 -8.373 8.102 -1.925 1.00 1.86 C ATOM 505 CZ PHE A 33 -9.431 8.718 -1.230 1.00 1.85 C ATOM 0 H PHE A 33 -6.254 11.419 -4.583 1.00 1.12 H new ATOM 0 HA PHE A 33 -6.476 12.910 -2.027 1.00 1.17 H new ATOM 0 HB2 PHE A 33 -5.086 10.255 -2.564 1.00 1.29 H new ATOM 0 HB3 PHE A 33 -5.237 11.061 -1.015 1.00 1.29 H new ATOM 0 HD1 PHE A 33 -7.984 11.752 -0.638 1.00 2.67 H new ATOM 0 HD2 PHE A 33 -6.372 8.327 -2.696 1.00 1.85 H new ATOM 0 HE1 PHE A 33 -10.103 10.518 -0.244 1.00 2.88 H new ATOM 0 HE2 PHE A 33 -8.480 7.087 -2.279 1.00 1.86 H new ATOM 0 HZ PHE A 33 -10.348 8.177 -1.050 1.00 1.85 H new ATOM 515 N GLN A 34 -4.509 13.672 -4.082 1.00 0.99 N ATOM 516 CA GLN A 34 -3.295 14.397 -4.479 1.00 1.13 C ATOM 517 C GLN A 34 -2.933 15.573 -3.550 1.00 1.40 C ATOM 518 O GLN A 34 -1.802 16.029 -3.590 1.00 2.11 O ATOM 519 CB GLN A 34 -3.356 14.789 -5.968 1.00 1.23 C ATOM 520 CG GLN A 34 -4.427 15.828 -6.325 1.00 1.74 C ATOM 521 CD GLN A 34 -4.496 16.043 -7.837 1.00 1.89 C ATOM 522 OE1 GLN A 34 -3.791 16.842 -8.426 1.00 2.63 O ATOM 523 NE2 GLN A 34 -5.339 15.309 -8.533 1.00 2.74 N ATOM 0 H GLN A 34 -5.286 13.790 -4.732 1.00 0.99 H new ATOM 0 HA GLN A 34 -2.461 13.706 -4.356 1.00 1.13 H new ATOM 0 HB2 GLN A 34 -2.382 15.177 -6.265 1.00 1.23 H new ATOM 0 HB3 GLN A 34 -3.534 13.890 -6.557 1.00 1.23 H new ATOM 0 HG2 GLN A 34 -5.398 15.497 -5.956 1.00 1.74 H new ATOM 0 HG3 GLN A 34 -4.203 16.772 -5.829 1.00 1.74 H new ATOM 0 HE21 GLN A 34 -5.939 14.634 -8.059 1.00 2.74 H new ATOM 0 HE22 GLN A 34 -5.392 15.416 -9.546 1.00 2.74 H new ATOM 532 N ASP A 35 -3.834 16.002 -2.662 1.00 1.29 N ATOM 533 CA ASP A 35 -3.565 16.905 -1.528 1.00 1.57 C ATOM 534 C ASP A 35 -2.556 16.331 -0.499 1.00 1.43 C ATOM 535 O ASP A 35 -1.952 17.065 0.283 1.00 1.76 O ATOM 536 CB ASP A 35 -4.949 17.164 -0.890 1.00 1.80 C ATOM 537 CG ASP A 35 -4.950 17.809 0.505 1.00 2.48 C ATOM 538 OD1 ASP A 35 -4.497 18.960 0.645 1.00 3.13 O ATOM 539 OD2 ASP A 35 -5.466 17.145 1.437 1.00 3.46 O ATOM 0 H ASP A 35 -4.813 15.721 -2.711 1.00 1.29 H new ATOM 0 HA ASP A 35 -3.085 17.821 -1.873 1.00 1.57 H new ATOM 0 HB2 ASP A 35 -5.520 17.804 -1.562 1.00 1.80 H new ATOM 0 HB3 ASP A 35 -5.479 16.214 -0.827 1.00 1.80 H new ATOM 544 N LYS A 36 -2.387 15.004 -0.459 1.00 1.04 N ATOM 545 CA LYS A 36 -1.907 14.303 0.736 1.00 1.07 C ATOM 546 C LYS A 36 -0.613 13.490 0.571 1.00 1.29 C ATOM 547 O LYS A 36 -0.048 13.338 -0.516 1.00 1.39 O ATOM 548 CB LYS A 36 -3.071 13.462 1.276 1.00 1.17 C ATOM 549 CG LYS A 36 -4.138 14.400 1.836 1.00 1.51 C ATOM 550 CD LYS A 36 -4.841 13.722 3.001 1.00 1.55 C ATOM 551 CE LYS A 36 -6.255 14.271 3.128 1.00 1.99 C ATOM 552 NZ LYS A 36 -6.249 15.686 3.573 1.00 2.02 N ATOM 0 H LYS A 36 -2.578 14.389 -1.250 1.00 1.04 H new ATOM 0 HA LYS A 36 -1.598 15.060 1.457 1.00 1.07 H new ATOM 0 HB2 LYS A 36 -3.491 12.845 0.482 1.00 1.17 H new ATOM 0 HB3 LYS A 36 -2.718 12.785 2.054 1.00 1.17 H new ATOM 0 HG2 LYS A 36 -3.682 15.334 2.165 1.00 1.51 H new ATOM 0 HG3 LYS A 36 -4.859 14.654 1.059 1.00 1.51 H new ATOM 0 HD2 LYS A 36 -4.871 12.644 2.844 1.00 1.55 H new ATOM 0 HD3 LYS A 36 -4.288 13.895 3.924 1.00 1.55 H new ATOM 0 HE2 LYS A 36 -6.765 14.192 2.168 1.00 1.99 H new ATOM 0 HE3 LYS A 36 -6.819 13.667 3.839 1.00 1.99 H new ATOM 0 HZ1 LYS A 36 -7.227 16.035 3.633 1.00 2.02 H new ATOM 0 HZ2 LYS A 36 -5.799 15.754 4.508 1.00 2.02 H new ATOM 0 HZ3 LYS A 36 -5.717 16.262 2.890 1.00 2.02 H new ATOM 566 N VAL A 37 -0.192 12.915 1.693 1.00 1.10 N ATOM 567 CA VAL A 37 0.759 11.820 1.816 1.00 1.05 C ATOM 568 C VAL A 37 -0.112 10.562 1.903 1.00 1.41 C ATOM 569 O VAL A 37 -1.157 10.574 2.556 1.00 1.96 O ATOM 570 CB VAL A 37 1.621 11.912 3.103 1.00 1.06 C ATOM 571 CG1 VAL A 37 2.899 11.077 2.940 1.00 1.18 C ATOM 572 CG2 VAL A 37 2.014 13.337 3.536 1.00 1.39 C ATOM 0 H VAL A 37 -0.532 13.225 2.603 1.00 1.10 H new ATOM 0 HA VAL A 37 1.456 11.830 0.978 1.00 1.05 H new ATOM 0 HB VAL A 37 0.979 11.523 3.893 1.00 1.06 H new ATOM 0 HG11 VAL A 37 3.498 11.147 3.848 1.00 1.18 H new ATOM 0 HG12 VAL A 37 2.633 10.035 2.761 1.00 1.18 H new ATOM 0 HG13 VAL A 37 3.475 11.455 2.095 1.00 1.18 H new ATOM 0 HG21 VAL A 37 2.614 13.289 4.445 1.00 1.39 H new ATOM 0 HG22 VAL A 37 2.593 13.811 2.744 1.00 1.39 H new ATOM 0 HG23 VAL A 37 1.113 13.921 3.727 1.00 1.39 H new ATOM 582 N VAL A 38 0.282 9.496 1.224 1.00 0.88 N ATOM 583 CA VAL A 38 -0.469 8.243 1.188 1.00 0.92 C ATOM 584 C VAL A 38 0.523 7.086 1.274 1.00 1.25 C ATOM 585 O VAL A 38 1.609 7.139 0.685 1.00 1.32 O ATOM 586 CB VAL A 38 -1.373 8.161 -0.068 1.00 0.92 C ATOM 587 CG1 VAL A 38 -2.138 6.831 -0.160 1.00 1.08 C ATOM 588 CG2 VAL A 38 -2.406 9.306 -0.138 1.00 1.24 C ATOM 0 H VAL A 38 1.141 9.473 0.675 1.00 0.88 H new ATOM 0 HA VAL A 38 -1.147 8.189 2.040 1.00 0.92 H new ATOM 0 HB VAL A 38 -0.680 8.245 -0.905 1.00 0.92 H new ATOM 0 HG11 VAL A 38 -2.755 6.828 -1.058 1.00 1.08 H new ATOM 0 HG12 VAL A 38 -1.428 6.005 -0.205 1.00 1.08 H new ATOM 0 HG13 VAL A 38 -2.774 6.716 0.718 1.00 1.08 H new ATOM 0 HG21 VAL A 38 -3.010 9.196 -1.038 1.00 1.24 H new ATOM 0 HG22 VAL A 38 -3.052 9.268 0.739 1.00 1.24 H new ATOM 0 HG23 VAL A 38 -1.886 10.264 -0.164 1.00 1.24 H new ATOM 598 N LEU A 39 0.147 6.042 2.014 1.00 0.97 N ATOM 599 CA LEU A 39 0.846 4.759 2.024 1.00 0.99 C ATOM 600 C LEU A 39 0.037 3.760 1.199 1.00 1.21 C ATOM 601 O LEU A 39 -1.101 3.442 1.538 1.00 1.25 O ATOM 602 CB LEU A 39 1.032 4.284 3.476 1.00 1.04 C ATOM 603 CG LEU A 39 2.199 4.981 4.202 1.00 1.31 C ATOM 604 CD1 LEU A 39 2.110 4.701 5.709 1.00 2.04 C ATOM 605 CD2 LEU A 39 3.569 4.522 3.677 1.00 1.35 C ATOM 0 H LEU A 39 -0.664 6.066 2.632 1.00 0.97 H new ATOM 0 HA LEU A 39 1.837 4.853 1.581 1.00 0.99 H new ATOM 0 HB2 LEU A 39 0.110 4.463 4.030 1.00 1.04 H new ATOM 0 HB3 LEU A 39 1.202 3.207 3.479 1.00 1.04 H new ATOM 0 HG LEU A 39 2.112 6.050 4.009 1.00 1.31 H new ATOM 0 HD11 LEU A 39 2.936 5.195 6.220 1.00 2.04 H new ATOM 0 HD12 LEU A 39 1.165 5.083 6.095 1.00 2.04 H new ATOM 0 HD13 LEU A 39 2.166 3.626 5.883 1.00 2.04 H new ATOM 0 HD21 LEU A 39 4.359 5.041 4.219 1.00 1.35 H new ATOM 0 HD22 LEU A 39 3.674 3.447 3.824 1.00 1.35 H new ATOM 0 HD23 LEU A 39 3.647 4.752 2.614 1.00 1.35 H new ATOM 617 N LEU A 40 0.649 3.262 0.125 1.00 0.93 N ATOM 618 CA LEU A 40 0.109 2.174 -0.688 1.00 0.87 C ATOM 619 C LEU A 40 0.789 0.858 -0.297 1.00 1.25 C ATOM 620 O LEU A 40 2.017 0.756 -0.294 1.00 1.44 O ATOM 621 CB LEU A 40 0.294 2.473 -2.195 1.00 0.90 C ATOM 622 CG LEU A 40 -0.992 2.770 -2.988 1.00 1.11 C ATOM 623 CD1 LEU A 40 -2.010 1.626 -2.903 1.00 1.66 C ATOM 624 CD2 LEU A 40 -1.622 4.100 -2.566 1.00 2.58 C ATOM 0 H LEU A 40 1.548 3.609 -0.209 1.00 0.93 H new ATOM 0 HA LEU A 40 -0.961 2.084 -0.502 1.00 0.87 H new ATOM 0 HB2 LEU A 40 0.964 3.326 -2.296 1.00 0.90 H new ATOM 0 HB3 LEU A 40 0.792 1.620 -2.656 1.00 0.90 H new ATOM 0 HG LEU A 40 -0.695 2.857 -4.033 1.00 1.11 H new ATOM 0 HD11 LEU A 40 -2.898 1.886 -3.479 1.00 1.66 H new ATOM 0 HD12 LEU A 40 -1.569 0.715 -3.308 1.00 1.66 H new ATOM 0 HD13 LEU A 40 -2.288 1.463 -1.862 1.00 1.66 H new ATOM 0 HD21 LEU A 40 -2.527 4.275 -3.148 1.00 2.58 H new ATOM 0 HD22 LEU A 40 -1.873 4.063 -1.506 1.00 2.58 H new ATOM 0 HD23 LEU A 40 -0.915 4.910 -2.743 1.00 2.58 H new ATOM 636 N PHE A 41 -0.017 -0.155 0.004 1.00 0.95 N ATOM 637 CA PHE A 41 0.438 -1.521 0.236 1.00 0.94 C ATOM 638 C PHE A 41 -0.269 -2.468 -0.734 1.00 1.55 C ATOM 639 O PHE A 41 -1.499 -2.575 -0.735 1.00 1.79 O ATOM 640 CB PHE A 41 0.187 -1.898 1.705 1.00 0.91 C ATOM 641 CG PHE A 41 0.565 -3.320 2.106 1.00 1.00 C ATOM 642 CD1 PHE A 41 1.737 -3.929 1.612 1.00 1.63 C ATOM 643 CD2 PHE A 41 -0.242 -4.026 3.019 1.00 2.56 C ATOM 644 CE1 PHE A 41 2.085 -5.231 2.013 1.00 1.43 C ATOM 645 CE2 PHE A 41 0.105 -5.330 3.417 1.00 2.70 C ATOM 646 CZ PHE A 41 1.271 -5.933 2.917 1.00 1.28 C ATOM 0 H PHE A 41 -1.027 -0.046 0.095 1.00 0.95 H new ATOM 0 HA PHE A 41 1.509 -1.603 0.051 1.00 0.94 H new ATOM 0 HB2 PHE A 41 0.742 -1.204 2.337 1.00 0.91 H new ATOM 0 HB3 PHE A 41 -0.871 -1.750 1.921 1.00 0.91 H new ATOM 0 HD1 PHE A 41 2.371 -3.392 0.922 1.00 1.63 H new ATOM 0 HD2 PHE A 41 -1.133 -3.563 3.416 1.00 2.56 H new ATOM 0 HE1 PHE A 41 2.981 -5.693 1.625 1.00 1.43 H new ATOM 0 HE2 PHE A 41 -0.526 -5.868 4.108 1.00 2.70 H new ATOM 0 HZ PHE A 41 1.540 -6.932 3.226 1.00 1.28 H new ATOM 656 N PHE A 42 0.530 -3.164 -1.552 1.00 1.05 N ATOM 657 CA PHE A 42 0.063 -4.236 -2.422 1.00 1.08 C ATOM 658 C PHE A 42 0.369 -5.573 -1.749 1.00 1.97 C ATOM 659 O PHE A 42 1.529 -5.973 -1.634 1.00 2.36 O ATOM 660 CB PHE A 42 0.709 -4.124 -3.806 1.00 1.21 C ATOM 661 CG PHE A 42 0.083 -3.057 -4.687 1.00 1.10 C ATOM 662 CD1 PHE A 42 0.321 -1.693 -4.427 1.00 2.47 C ATOM 663 CD2 PHE A 42 -0.740 -3.423 -5.772 1.00 1.54 C ATOM 664 CE1 PHE A 42 -0.255 -0.706 -5.245 1.00 2.40 C ATOM 665 CE2 PHE A 42 -1.314 -2.434 -6.588 1.00 1.47 C ATOM 666 CZ PHE A 42 -1.078 -1.077 -6.320 1.00 1.16 C ATOM 0 H PHE A 42 1.533 -2.991 -1.625 1.00 1.05 H new ATOM 0 HA PHE A 42 -1.014 -4.160 -2.575 1.00 1.08 H new ATOM 0 HB2 PHE A 42 1.770 -3.906 -3.685 1.00 1.21 H new ATOM 0 HB3 PHE A 42 0.636 -5.088 -4.310 1.00 1.21 H new ATOM 0 HD1 PHE A 42 0.948 -1.405 -3.596 1.00 2.47 H new ATOM 0 HD2 PHE A 42 -0.930 -4.466 -5.976 1.00 1.54 H new ATOM 0 HE1 PHE A 42 -0.064 0.338 -5.046 1.00 2.40 H new ATOM 0 HE2 PHE A 42 -1.938 -2.718 -7.423 1.00 1.47 H new ATOM 0 HZ PHE A 42 -1.530 -0.318 -6.941 1.00 1.16 H new ATOM 676 N GLY A 43 -0.679 -6.215 -1.230 1.00 1.21 N ATOM 677 CA GLY A 43 -0.629 -7.532 -0.592 1.00 1.33 C ATOM 678 C GLY A 43 -1.884 -8.361 -0.858 1.00 1.34 C ATOM 679 O GLY A 43 -2.799 -7.923 -1.554 1.00 1.34 O ATOM 0 H GLY A 43 -1.619 -5.819 -1.243 1.00 1.21 H new ATOM 0 HA2 GLY A 43 0.244 -8.075 -0.955 1.00 1.33 H new ATOM 0 HA3 GLY A 43 -0.502 -7.406 0.483 1.00 1.33 H new ATOM 683 N PHE A 44 -1.923 -9.553 -0.271 1.00 1.45 N ATOM 684 CA PHE A 44 -3.097 -10.423 -0.158 1.00 1.46 C ATOM 685 C PHE A 44 -3.459 -10.550 1.333 1.00 2.28 C ATOM 686 O PHE A 44 -2.550 -10.661 2.169 1.00 3.09 O ATOM 687 CB PHE A 44 -2.736 -11.779 -0.801 1.00 1.55 C ATOM 688 CG PHE A 44 -3.692 -12.934 -0.552 1.00 1.46 C ATOM 689 CD1 PHE A 44 -5.081 -12.751 -0.659 1.00 2.78 C ATOM 690 CD2 PHE A 44 -3.184 -14.209 -0.230 1.00 2.45 C ATOM 691 CE1 PHE A 44 -5.963 -13.815 -0.405 1.00 3.69 C ATOM 692 CE2 PHE A 44 -4.064 -15.279 0.019 1.00 3.21 C ATOM 693 CZ PHE A 44 -5.454 -15.079 -0.057 1.00 3.63 C ATOM 0 H PHE A 44 -1.096 -9.963 0.162 1.00 1.45 H new ATOM 0 HA PHE A 44 -3.969 -10.023 -0.675 1.00 1.46 H new ATOM 0 HB2 PHE A 44 -2.654 -11.633 -1.878 1.00 1.55 H new ATOM 0 HB3 PHE A 44 -1.749 -12.072 -0.443 1.00 1.55 H new ATOM 0 HD1 PHE A 44 -5.474 -11.785 -0.939 1.00 2.78 H new ATOM 0 HD2 PHE A 44 -2.117 -14.365 -0.174 1.00 2.45 H new ATOM 0 HE1 PHE A 44 -7.030 -13.662 -0.477 1.00 3.69 H new ATOM 0 HE2 PHE A 44 -3.672 -16.254 0.268 1.00 3.21 H new ATOM 0 HZ PHE A 44 -6.130 -15.895 0.152 1.00 3.63 H new ATOM 703 N THR A 45 -4.752 -10.530 1.696 1.00 1.29 N ATOM 704 CA THR A 45 -5.184 -10.827 3.074 1.00 1.30 C ATOM 705 C THR A 45 -4.833 -12.262 3.454 1.00 1.55 C ATOM 706 O THR A 45 -4.514 -13.090 2.610 1.00 2.58 O ATOM 707 CB THR A 45 -6.677 -10.560 3.310 1.00 1.41 C ATOM 708 OG1 THR A 45 -7.468 -11.250 2.378 1.00 1.74 O ATOM 709 CG2 THR A 45 -6.995 -9.070 3.270 1.00 1.47 C ATOM 0 H THR A 45 -5.516 -10.312 1.056 1.00 1.29 H new ATOM 0 HA THR A 45 -4.638 -10.140 3.720 1.00 1.30 H new ATOM 0 HB THR A 45 -6.914 -10.929 4.308 1.00 1.41 H new ATOM 0 HG1 THR A 45 -8.060 -10.618 1.920 1.00 1.74 H new ATOM 0 HG21 THR A 45 -8.061 -8.921 3.441 1.00 1.47 H new ATOM 0 HG22 THR A 45 -6.428 -8.556 4.046 1.00 1.47 H new ATOM 0 HG23 THR A 45 -6.724 -8.666 2.294 1.00 1.47 H new ATOM 717 N ARG A 46 -4.840 -12.578 4.752 1.00 2.38 N ATOM 718 CA ARG A 46 -4.712 -13.964 5.245 1.00 2.45 C ATOM 719 C ARG A 46 -3.320 -14.596 4.992 1.00 2.25 C ATOM 720 O ARG A 46 -3.097 -15.738 5.393 1.00 2.91 O ATOM 721 CB ARG A 46 -5.863 -14.819 4.665 1.00 2.89 C ATOM 722 CG ARG A 46 -6.235 -16.050 5.509 1.00 3.51 C ATOM 723 CD ARG A 46 -7.456 -16.753 4.902 1.00 4.12 C ATOM 724 NE ARG A 46 -7.837 -17.950 5.684 1.00 5.01 N ATOM 725 CZ ARG A 46 -7.782 -19.222 5.299 1.00 5.55 C ATOM 726 NH1 ARG A 46 -7.352 -19.578 4.104 1.00 5.51 N ATOM 727 NH2 ARG A 46 -8.165 -20.167 6.134 1.00 6.67 N ATOM 0 H ARG A 46 -4.934 -11.885 5.495 1.00 2.38 H new ATOM 0 HA ARG A 46 -4.796 -13.937 6.331 1.00 2.45 H new ATOM 0 HB2 ARG A 46 -6.746 -14.189 4.556 1.00 2.89 H new ATOM 0 HB3 ARG A 46 -5.583 -15.151 3.665 1.00 2.89 H new ATOM 0 HG2 ARG A 46 -5.392 -16.740 5.552 1.00 3.51 H new ATOM 0 HG3 ARG A 46 -6.452 -15.747 6.533 1.00 3.51 H new ATOM 0 HD2 ARG A 46 -8.296 -16.059 4.865 1.00 4.12 H new ATOM 0 HD3 ARG A 46 -7.237 -17.043 3.874 1.00 4.12 H new ATOM 0 HE ARG A 46 -8.182 -17.780 6.629 1.00 5.01 H new ATOM 0 HH11 ARG A 46 -7.047 -18.867 3.439 1.00 5.51 H new ATOM 0 HH12 ARG A 46 -7.324 -20.564 3.845 1.00 5.51 H new ATOM 0 HH21 ARG A 46 -8.500 -19.920 7.065 1.00 6.67 H new ATOM 0 HH22 ARG A 46 -8.127 -21.146 5.849 1.00 6.67 H new ATOM 741 N CYS A 47 -2.341 -13.867 4.430 1.00 1.62 N ATOM 742 CA CYS A 47 -0.913 -14.227 4.494 1.00 1.75 C ATOM 743 C CYS A 47 -0.514 -14.508 5.965 1.00 2.14 C ATOM 744 O CYS A 47 -0.923 -13.729 6.831 1.00 2.78 O ATOM 745 CB CYS A 47 -0.052 -13.128 3.846 1.00 2.15 C ATOM 746 SG CYS A 47 -0.369 -13.067 2.060 1.00 3.36 S ATOM 0 H CYS A 47 -2.519 -13.005 3.915 1.00 1.62 H new ATOM 0 HA CYS A 47 -0.735 -15.139 3.925 1.00 1.75 H new ATOM 0 HB2 CYS A 47 -0.279 -12.162 4.298 1.00 2.15 H new ATOM 0 HB3 CYS A 47 1.004 -13.325 4.030 1.00 2.15 H new ATOM 0 HG CYS A 47 -1.250 -12.146 1.807 1.00 3.36 H new ATOM 752 N PRO A 48 0.236 -15.588 6.260 1.00 2.26 N ATOM 753 CA PRO A 48 0.262 -16.196 7.591 1.00 2.82 C ATOM 754 C PRO A 48 1.014 -15.393 8.657 1.00 2.69 C ATOM 755 O PRO A 48 0.828 -15.674 9.836 1.00 3.09 O ATOM 756 CB PRO A 48 0.896 -17.579 7.389 1.00 3.64 C ATOM 757 CG PRO A 48 1.780 -17.388 6.160 1.00 3.56 C ATOM 758 CD PRO A 48 0.951 -16.428 5.311 1.00 2.83 C ATOM 0 HA PRO A 48 -0.753 -16.240 7.986 1.00 2.82 H new ATOM 0 HB2 PRO A 48 1.478 -17.885 8.259 1.00 3.64 H new ATOM 0 HB3 PRO A 48 0.140 -18.347 7.225 1.00 3.64 H new ATOM 0 HG2 PRO A 48 2.751 -16.967 6.419 1.00 3.56 H new ATOM 0 HG3 PRO A 48 1.968 -18.329 5.644 1.00 3.56 H new ATOM 0 HD2 PRO A 48 1.588 -15.830 4.660 1.00 2.83 H new ATOM 0 HD3 PRO A 48 0.258 -16.971 4.668 1.00 2.83 H new ATOM 766 N ASP A 49 1.837 -14.411 8.273 1.00 1.93 N ATOM 767 CA ASP A 49 2.658 -13.629 9.211 1.00 1.71 C ATOM 768 C ASP A 49 2.699 -12.186 8.699 1.00 1.51 C ATOM 769 O ASP A 49 2.099 -11.286 9.268 1.00 1.62 O ATOM 770 CB ASP A 49 4.043 -14.303 9.294 1.00 1.59 C ATOM 771 CG ASP A 49 4.926 -13.735 10.408 1.00 2.72 C ATOM 772 OD1 ASP A 49 5.107 -12.495 10.414 1.00 3.38 O ATOM 773 OD2 ASP A 49 5.427 -14.550 11.211 1.00 3.83 O ATOM 0 H ASP A 49 1.955 -14.133 7.299 1.00 1.93 H new ATOM 0 HA ASP A 49 2.254 -13.600 10.223 1.00 1.71 H new ATOM 0 HB2 ASP A 49 3.910 -15.373 9.455 1.00 1.59 H new ATOM 0 HB3 ASP A 49 4.555 -14.186 8.339 1.00 1.59 H new ATOM 778 N VAL A 50 3.244 -12.029 7.496 1.00 1.40 N ATOM 779 CA VAL A 50 3.208 -10.832 6.635 1.00 1.33 C ATOM 780 C VAL A 50 1.885 -10.036 6.634 1.00 1.65 C ATOM 781 O VAL A 50 1.915 -8.822 6.463 1.00 1.84 O ATOM 782 CB VAL A 50 3.531 -11.210 5.164 1.00 1.51 C ATOM 783 CG1 VAL A 50 4.207 -10.038 4.440 1.00 1.92 C ATOM 784 CG2 VAL A 50 4.397 -12.476 5.000 1.00 2.94 C ATOM 0 H VAL A 50 3.764 -12.789 7.057 1.00 1.40 H new ATOM 0 HA VAL A 50 3.963 -10.180 7.075 1.00 1.33 H new ATOM 0 HB VAL A 50 2.564 -11.437 4.714 1.00 1.51 H new ATOM 0 HG11 VAL A 50 4.425 -10.323 3.411 1.00 1.92 H new ATOM 0 HG12 VAL A 50 3.541 -9.175 4.444 1.00 1.92 H new ATOM 0 HG13 VAL A 50 5.136 -9.782 4.950 1.00 1.92 H new ATOM 0 HG21 VAL A 50 4.572 -12.663 3.940 1.00 2.94 H new ATOM 0 HG22 VAL A 50 5.352 -12.332 5.505 1.00 2.94 H new ATOM 0 HG23 VAL A 50 3.880 -13.330 5.438 1.00 2.94 H new ATOM 794 N CYS A 51 0.710 -10.666 6.818 1.00 1.79 N ATOM 795 CA CYS A 51 -0.551 -9.911 6.865 1.00 1.96 C ATOM 796 C CYS A 51 -0.642 -9.070 8.155 1.00 1.93 C ATOM 797 O CYS A 51 -0.673 -7.846 8.021 1.00 1.92 O ATOM 798 CB CYS A 51 -1.760 -10.823 6.594 1.00 2.41 C ATOM 799 SG CYS A 51 -3.189 -9.826 6.090 1.00 3.55 S ATOM 0 H CYS A 51 0.609 -11.674 6.934 1.00 1.79 H new ATOM 0 HA CYS A 51 -0.567 -9.185 6.052 1.00 1.96 H new ATOM 0 HB2 CYS A 51 -1.515 -11.543 5.813 1.00 2.41 H new ATOM 0 HB3 CYS A 51 -2.003 -11.395 7.490 1.00 2.41 H new ATOM 0 HG CYS A 51 -4.063 -9.803 7.052 1.00 3.55 H new ATOM 805 N PRO A 52 -0.637 -9.647 9.376 1.00 1.66 N ATOM 806 CA PRO A 52 -0.584 -8.844 10.586 1.00 1.52 C ATOM 807 C PRO A 52 0.726 -8.055 10.721 1.00 1.37 C ATOM 808 O PRO A 52 0.651 -6.910 11.151 1.00 1.21 O ATOM 809 CB PRO A 52 -0.819 -9.806 11.758 1.00 1.97 C ATOM 810 CG PRO A 52 -0.452 -11.176 11.199 1.00 2.12 C ATOM 811 CD PRO A 52 -0.842 -11.049 9.727 1.00 2.00 C ATOM 0 HA PRO A 52 -1.353 -8.072 10.564 1.00 1.52 H new ATOM 0 HB2 PRO A 52 -0.199 -9.547 12.616 1.00 1.97 H new ATOM 0 HB3 PRO A 52 -1.855 -9.778 12.094 1.00 1.97 H new ATOM 0 HG2 PRO A 52 0.609 -11.392 11.320 1.00 2.12 H new ATOM 0 HG3 PRO A 52 -0.999 -11.977 11.696 1.00 2.12 H new ATOM 0 HD2 PRO A 52 -0.230 -11.701 9.104 1.00 2.00 H new ATOM 0 HD3 PRO A 52 -1.880 -11.342 9.572 1.00 2.00 H new ATOM 819 N THR A 53 1.885 -8.612 10.336 1.00 0.94 N ATOM 820 CA THR A 53 3.201 -7.978 10.519 1.00 0.77 C ATOM 821 C THR A 53 3.350 -6.710 9.674 1.00 0.98 C ATOM 822 O THR A 53 3.510 -5.636 10.264 1.00 0.97 O ATOM 823 CB THR A 53 4.329 -8.997 10.290 1.00 0.84 C ATOM 824 OG1 THR A 53 4.070 -10.091 11.148 1.00 1.92 O ATOM 825 CG2 THR A 53 5.696 -8.442 10.689 1.00 1.44 C ATOM 0 H THR A 53 1.936 -9.525 9.884 1.00 0.94 H new ATOM 0 HA THR A 53 3.280 -7.645 11.554 1.00 0.77 H new ATOM 0 HB THR A 53 4.352 -9.260 9.232 1.00 0.84 H new ATOM 0 HG1 THR A 53 4.567 -10.876 10.836 1.00 1.92 H new ATOM 0 HG21 THR A 53 6.462 -9.197 10.510 1.00 1.44 H new ATOM 0 HG22 THR A 53 5.916 -7.554 10.096 1.00 1.44 H new ATOM 0 HG23 THR A 53 5.687 -8.178 11.747 1.00 1.44 H new ATOM 833 N THR A 54 3.213 -6.772 8.338 1.00 0.77 N ATOM 834 CA THR A 54 3.346 -5.574 7.483 1.00 0.81 C ATOM 835 C THR A 54 2.244 -4.558 7.761 1.00 0.98 C ATOM 836 O THR A 54 2.550 -3.371 7.860 1.00 0.96 O ATOM 837 CB THR A 54 3.388 -5.890 5.980 1.00 0.91 C ATOM 838 OG1 THR A 54 4.147 -7.029 5.673 1.00 1.57 O ATOM 839 CG2 THR A 54 4.011 -4.734 5.197 1.00 0.97 C ATOM 0 H THR A 54 3.012 -7.632 7.827 1.00 0.77 H new ATOM 0 HA THR A 54 4.311 -5.144 7.750 1.00 0.81 H new ATOM 0 HB THR A 54 2.348 -6.059 5.701 1.00 0.91 H new ATOM 0 HG1 THR A 54 5.005 -6.988 6.145 1.00 1.57 H new ATOM 0 HG21 THR A 54 4.030 -4.982 4.136 1.00 0.97 H new ATOM 0 HG22 THR A 54 3.419 -3.831 5.349 1.00 0.97 H new ATOM 0 HG23 THR A 54 5.029 -4.564 5.548 1.00 0.97 H new ATOM 847 N LEU A 55 0.984 -4.980 7.958 1.00 0.75 N ATOM 848 CA LEU A 55 -0.109 -4.046 8.290 1.00 0.77 C ATOM 849 C LEU A 55 0.093 -3.374 9.654 1.00 1.11 C ATOM 850 O LEU A 55 -0.281 -2.210 9.808 1.00 1.36 O ATOM 851 CB LEU A 55 -1.482 -4.753 8.271 1.00 0.78 C ATOM 852 CG LEU A 55 -1.994 -5.237 6.898 1.00 1.11 C ATOM 853 CD1 LEU A 55 -3.289 -6.047 7.068 1.00 1.87 C ATOM 854 CD2 LEU A 55 -2.299 -4.069 5.954 1.00 1.25 C ATOM 0 H LEU A 55 0.696 -5.956 7.894 1.00 0.75 H new ATOM 0 HA LEU A 55 -0.089 -3.275 7.520 1.00 0.77 H new ATOM 0 HB2 LEU A 55 -1.431 -5.614 8.938 1.00 0.78 H new ATOM 0 HB3 LEU A 55 -2.222 -4.070 8.689 1.00 0.78 H new ATOM 0 HG LEU A 55 -1.201 -5.850 6.469 1.00 1.11 H new ATOM 0 HD11 LEU A 55 -3.639 -6.382 6.092 1.00 1.87 H new ATOM 0 HD12 LEU A 55 -3.096 -6.913 7.701 1.00 1.87 H new ATOM 0 HD13 LEU A 55 -4.051 -5.421 7.532 1.00 1.87 H new ATOM 0 HD21 LEU A 55 -2.656 -4.456 5.000 1.00 1.25 H new ATOM 0 HD22 LEU A 55 -3.065 -3.433 6.398 1.00 1.25 H new ATOM 0 HD23 LEU A 55 -1.393 -3.486 5.792 1.00 1.25 H new ATOM 866 N LEU A 56 0.700 -4.059 10.634 1.00 0.68 N ATOM 867 CA LEU A 56 1.086 -3.420 11.892 1.00 0.78 C ATOM 868 C LEU A 56 2.250 -2.453 11.675 1.00 1.27 C ATOM 869 O LEU A 56 2.168 -1.325 12.154 1.00 1.54 O ATOM 870 CB LEU A 56 1.399 -4.460 12.979 1.00 0.87 C ATOM 871 CG LEU A 56 1.704 -3.796 14.345 1.00 1.40 C ATOM 872 CD1 LEU A 56 0.765 -4.300 15.447 1.00 1.90 C ATOM 873 CD2 LEU A 56 3.167 -4.019 14.753 1.00 1.66 C ATOM 0 H LEU A 56 0.932 -5.051 10.577 1.00 0.68 H new ATOM 0 HA LEU A 56 0.237 -2.837 12.249 1.00 0.78 H new ATOM 0 HB2 LEU A 56 0.553 -5.138 13.086 1.00 0.87 H new ATOM 0 HB3 LEU A 56 2.253 -5.062 12.670 1.00 0.87 H new ATOM 0 HG LEU A 56 1.534 -2.726 14.223 1.00 1.40 H new ATOM 0 HD11 LEU A 56 1.013 -3.810 16.388 1.00 1.90 H new ATOM 0 HD12 LEU A 56 -0.266 -4.071 15.179 1.00 1.90 H new ATOM 0 HD13 LEU A 56 0.880 -5.378 15.558 1.00 1.90 H new ATOM 0 HD21 LEU A 56 3.353 -3.542 15.715 1.00 1.66 H new ATOM 0 HD22 LEU A 56 3.363 -5.088 14.834 1.00 1.66 H new ATOM 0 HD23 LEU A 56 3.825 -3.585 14.000 1.00 1.66 H new ATOM 885 N ALA A 57 3.300 -2.846 10.949 1.00 0.81 N ATOM 886 CA ALA A 57 4.444 -1.979 10.656 1.00 0.95 C ATOM 887 C ALA A 57 4.053 -0.696 9.903 1.00 1.15 C ATOM 888 O ALA A 57 4.672 0.351 10.117 1.00 1.54 O ATOM 889 CB ALA A 57 5.481 -2.784 9.868 1.00 0.99 C ATOM 0 H ALA A 57 3.381 -3.780 10.546 1.00 0.81 H new ATOM 0 HA ALA A 57 4.866 -1.645 11.604 1.00 0.95 H new ATOM 0 HB1 ALA A 57 6.339 -2.150 9.643 1.00 0.99 H new ATOM 0 HB2 ALA A 57 5.807 -3.638 10.462 1.00 0.99 H new ATOM 0 HB3 ALA A 57 5.037 -3.137 8.937 1.00 0.99 H new ATOM 895 N LEU A 58 2.997 -0.759 9.083 1.00 0.94 N ATOM 896 CA LEU A 58 2.343 0.390 8.453 1.00 0.99 C ATOM 897 C LEU A 58 1.599 1.252 9.485 1.00 1.22 C ATOM 898 O LEU A 58 1.945 2.417 9.674 1.00 1.34 O ATOM 899 CB LEU A 58 1.402 -0.134 7.344 1.00 1.01 C ATOM 900 CG LEU A 58 2.149 -0.667 6.103 1.00 1.16 C ATOM 901 CD1 LEU A 58 1.253 -1.572 5.248 1.00 1.52 C ATOM 902 CD2 LEU A 58 2.626 0.492 5.226 1.00 1.59 C ATOM 0 H LEU A 58 2.560 -1.646 8.832 1.00 0.94 H new ATOM 0 HA LEU A 58 3.093 1.043 8.007 1.00 0.99 H new ATOM 0 HB2 LEU A 58 0.779 -0.930 7.753 1.00 1.01 H new ATOM 0 HB3 LEU A 58 0.732 0.669 7.038 1.00 1.01 H new ATOM 0 HG LEU A 58 2.998 -1.243 6.470 1.00 1.16 H new ATOM 0 HD11 LEU A 58 1.814 -1.928 4.384 1.00 1.52 H new ATOM 0 HD12 LEU A 58 0.924 -2.424 5.842 1.00 1.52 H new ATOM 0 HD13 LEU A 58 0.384 -1.008 4.909 1.00 1.52 H new ATOM 0 HD21 LEU A 58 3.151 0.098 4.356 1.00 1.59 H new ATOM 0 HD22 LEU A 58 1.767 1.077 4.898 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.301 1.128 5.799 1.00 1.59 H new ATOM 914 N LYS A 59 0.617 0.698 10.204 1.00 0.93 N ATOM 915 CA LYS A 59 -0.199 1.458 11.167 1.00 0.98 C ATOM 916 C LYS A 59 0.619 2.056 12.331 1.00 1.12 C ATOM 917 O LYS A 59 0.279 3.116 12.862 1.00 1.16 O ATOM 918 CB LYS A 59 -1.366 0.553 11.607 1.00 1.01 C ATOM 919 CG LYS A 59 -1.132 -0.354 12.829 1.00 0.95 C ATOM 920 CD LYS A 59 -1.897 0.205 14.033 1.00 1.36 C ATOM 921 CE LYS A 59 -1.797 -0.667 15.287 1.00 0.91 C ATOM 922 NZ LYS A 59 -2.754 -0.200 16.322 1.00 1.37 N ATOM 0 H LYS A 59 0.363 -0.288 10.138 1.00 0.93 H new ATOM 0 HA LYS A 59 -0.605 2.348 10.687 1.00 0.98 H new ATOM 0 HB2 LYS A 59 -2.226 1.189 11.818 1.00 1.01 H new ATOM 0 HB3 LYS A 59 -1.638 -0.081 10.763 1.00 1.01 H new ATOM 0 HG2 LYS A 59 -1.466 -1.369 12.612 1.00 0.95 H new ATOM 0 HG3 LYS A 59 -0.067 -0.410 13.055 1.00 0.95 H new ATOM 0 HD2 LYS A 59 -1.517 1.201 14.263 1.00 1.36 H new ATOM 0 HD3 LYS A 59 -2.947 0.319 13.764 1.00 1.36 H new ATOM 0 HE2 LYS A 59 -2.006 -1.706 15.032 1.00 0.91 H new ATOM 0 HE3 LYS A 59 -0.781 -0.633 15.681 1.00 0.91 H new ATOM 0 HZ1 LYS A 59 -2.992 -0.989 16.956 1.00 1.37 H new ATOM 0 HZ2 LYS A 59 -2.322 0.569 16.873 1.00 1.37 H new ATOM 0 HZ3 LYS A 59 -3.620 0.148 15.863 1.00 1.37 H new ATOM 936 N ARG A 60 1.745 1.424 12.691 1.00 1.03 N ATOM 937 CA ARG A 60 2.698 1.916 13.692 1.00 1.07 C ATOM 938 C ARG A 60 3.343 3.242 13.275 1.00 1.52 C ATOM 939 O ARG A 60 3.635 4.045 14.157 1.00 1.48 O ATOM 940 CB ARG A 60 3.786 0.863 13.959 1.00 1.18 C ATOM 941 CG ARG A 60 3.347 -0.307 14.858 1.00 1.27 C ATOM 942 CD ARG A 60 3.642 -0.114 16.353 1.00 1.43 C ATOM 943 NE ARG A 60 2.536 0.537 17.069 1.00 2.55 N ATOM 944 CZ ARG A 60 2.363 0.646 18.379 1.00 3.51 C ATOM 945 NH1 ARG A 60 3.305 0.299 19.236 1.00 3.37 N ATOM 946 NH2 ARG A 60 1.216 1.099 18.833 1.00 5.03 N ATOM 0 H ARG A 60 2.024 0.532 12.282 1.00 1.03 H new ATOM 0 HA ARG A 60 2.136 2.098 14.608 1.00 1.07 H new ATOM 0 HB2 ARG A 60 4.125 0.461 13.004 1.00 1.18 H new ATOM 0 HB3 ARG A 60 4.642 1.355 14.420 1.00 1.18 H new ATOM 0 HG2 ARG A 60 2.276 -0.463 14.730 1.00 1.27 H new ATOM 0 HG3 ARG A 60 3.844 -1.215 14.518 1.00 1.27 H new ATOM 0 HD2 ARG A 60 3.843 -1.084 16.808 1.00 1.43 H new ATOM 0 HD3 ARG A 60 4.546 0.485 16.467 1.00 1.43 H new ATOM 0 HE ARG A 60 1.812 0.957 16.486 1.00 2.55 H new ATOM 0 HH11 ARG A 60 4.195 -0.064 18.896 1.00 3.37 H new ATOM 0 HH12 ARG A 60 3.143 0.394 20.238 1.00 3.37 H new ATOM 0 HH21 ARG A 60 0.477 1.360 18.181 1.00 5.03 H new ATOM 0 HH22 ARG A 60 1.065 1.190 19.838 1.00 5.03 H new ATOM 960 N ALA A 61 3.543 3.510 11.975 1.00 1.21 N ATOM 961 CA ALA A 61 4.030 4.809 11.496 1.00 1.25 C ATOM 962 C ALA A 61 2.981 5.916 11.709 1.00 1.27 C ATOM 963 O ALA A 61 3.304 7.007 12.164 1.00 1.36 O ATOM 964 CB ALA A 61 4.430 4.678 10.018 1.00 1.42 C ATOM 0 H ALA A 61 3.372 2.834 11.231 1.00 1.21 H new ATOM 0 HA ALA A 61 4.906 5.102 12.075 1.00 1.25 H new ATOM 0 HB1 ALA A 61 4.793 5.639 9.653 1.00 1.42 H new ATOM 0 HB2 ALA A 61 5.217 3.931 9.919 1.00 1.42 H new ATOM 0 HB3 ALA A 61 3.563 4.372 9.432 1.00 1.42 H new ATOM 970 N TYR A 62 1.706 5.603 11.459 1.00 1.12 N ATOM 971 CA TYR A 62 0.567 6.495 11.721 1.00 1.16 C ATOM 972 C TYR A 62 0.351 6.753 13.234 1.00 1.25 C ATOM 973 O TYR A 62 0.009 7.861 13.626 1.00 1.50 O ATOM 974 CB TYR A 62 -0.666 5.905 11.016 1.00 1.24 C ATOM 975 CG TYR A 62 -1.900 6.784 11.036 1.00 1.78 C ATOM 976 CD1 TYR A 62 -2.729 6.805 12.172 1.00 2.96 C ATOM 977 CD2 TYR A 62 -2.232 7.564 9.910 1.00 2.78 C ATOM 978 CE1 TYR A 62 -3.870 7.626 12.202 1.00 3.44 C ATOM 979 CE2 TYR A 62 -3.387 8.371 9.925 1.00 3.15 C ATOM 980 CZ TYR A 62 -4.211 8.403 11.073 1.00 2.93 C ATOM 981 OH TYR A 62 -5.358 9.131 11.083 1.00 3.58 O ATOM 0 H TYR A 62 1.429 4.706 11.061 1.00 1.12 H new ATOM 0 HA TYR A 62 0.767 7.486 11.313 1.00 1.16 H new ATOM 0 HB2 TYR A 62 -0.406 5.694 9.979 1.00 1.24 H new ATOM 0 HB3 TYR A 62 -0.911 4.951 11.483 1.00 1.24 H new ATOM 0 HD1 TYR A 62 -2.488 6.188 13.025 1.00 2.96 H new ATOM 0 HD2 TYR A 62 -1.600 7.543 9.034 1.00 2.78 H new ATOM 0 HE1 TYR A 62 -4.486 7.662 13.089 1.00 3.44 H new ATOM 0 HE2 TYR A 62 -3.643 8.965 9.060 1.00 3.15 H new ATOM 0 HH TYR A 62 -5.448 9.611 10.233 1.00 3.58 H new ATOM 991 N GLU A 63 0.615 5.756 14.084 1.00 0.88 N ATOM 992 CA GLU A 63 0.691 5.889 15.550 1.00 0.99 C ATOM 993 C GLU A 63 1.936 6.656 16.043 1.00 1.20 C ATOM 994 O GLU A 63 1.991 7.067 17.200 1.00 1.53 O ATOM 995 CB GLU A 63 0.639 4.497 16.205 1.00 1.17 C ATOM 996 CG GLU A 63 -0.729 3.810 16.079 1.00 1.31 C ATOM 997 CD GLU A 63 -0.682 2.382 16.622 1.00 1.90 C ATOM 998 OE1 GLU A 63 0.174 1.582 16.194 1.00 2.82 O ATOM 999 OE2 GLU A 63 -1.508 1.979 17.470 1.00 2.44 O ATOM 0 H GLU A 63 0.788 4.803 13.765 1.00 0.88 H new ATOM 0 HA GLU A 63 -0.172 6.484 15.849 1.00 0.99 H new ATOM 0 HB2 GLU A 63 1.399 3.862 15.750 1.00 1.17 H new ATOM 0 HB3 GLU A 63 0.893 4.591 17.261 1.00 1.17 H new ATOM 0 HG2 GLU A 63 -1.479 4.384 16.623 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -1.036 3.794 15.033 1.00 1.31 H new ATOM 1006 N LYS A 64 2.972 6.834 15.212 1.00 0.93 N ATOM 1007 CA LYS A 64 4.196 7.565 15.575 1.00 1.03 C ATOM 1008 C LYS A 64 4.049 9.093 15.436 1.00 1.06 C ATOM 1009 O LYS A 64 4.778 9.847 16.084 1.00 1.24 O ATOM 1010 CB LYS A 64 5.337 7.058 14.671 1.00 1.47 C ATOM 1011 CG LYS A 64 6.749 7.321 15.217 1.00 2.14 C ATOM 1012 CD LYS A 64 7.329 6.115 15.963 1.00 2.25 C ATOM 1013 CE LYS A 64 8.802 6.381 16.302 1.00 3.26 C ATOM 1014 NZ LYS A 64 9.457 5.185 16.883 1.00 3.91 N ATOM 0 H LYS A 64 2.985 6.471 14.259 1.00 0.93 H new ATOM 0 HA LYS A 64 4.409 7.376 16.627 1.00 1.03 H new ATOM 0 HB2 LYS A 64 5.214 5.986 14.519 1.00 1.47 H new ATOM 0 HB3 LYS A 64 5.246 7.531 13.693 1.00 1.47 H new ATOM 0 HG2 LYS A 64 7.410 7.584 14.391 1.00 2.14 H new ATOM 0 HG3 LYS A 64 6.720 8.179 15.889 1.00 2.14 H new ATOM 0 HD2 LYS A 64 6.762 5.932 16.876 1.00 2.25 H new ATOM 0 HD3 LYS A 64 7.243 5.219 15.349 1.00 2.25 H new ATOM 0 HE2 LYS A 64 9.334 6.685 15.400 1.00 3.26 H new ATOM 0 HE3 LYS A 64 8.869 7.210 17.006 1.00 3.26 H new ATOM 0 HZ1 LYS A 64 10.489 5.273 16.787 1.00 3.91 H new ATOM 0 HZ2 LYS A 64 9.209 5.108 17.890 1.00 3.91 H new ATOM 0 HZ3 LYS A 64 9.134 4.334 16.381 1.00 3.91 H new ATOM 1028 N LEU A 65 3.170 9.563 14.544 1.00 0.93 N ATOM 1029 CA LEU A 65 3.072 10.971 14.138 1.00 1.01 C ATOM 1030 C LEU A 65 2.074 11.776 15.008 1.00 1.43 C ATOM 1031 O LEU A 65 1.170 11.188 15.598 1.00 1.65 O ATOM 1032 CB LEU A 65 2.852 11.034 12.607 1.00 1.11 C ATOM 1033 CG LEU A 65 1.692 10.217 11.989 1.00 1.80 C ATOM 1034 CD1 LEU A 65 0.292 10.739 12.332 1.00 3.06 C ATOM 1035 CD2 LEU A 65 1.846 10.213 10.462 1.00 2.87 C ATOM 0 H LEU A 65 2.492 8.963 14.074 1.00 0.93 H new ATOM 0 HA LEU A 65 4.010 11.490 14.335 1.00 1.01 H new ATOM 0 HB2 LEU A 65 2.700 12.079 12.338 1.00 1.11 H new ATOM 0 HB3 LEU A 65 3.776 10.712 12.127 1.00 1.11 H new ATOM 0 HG LEU A 65 1.765 9.218 12.418 1.00 1.80 H new ATOM 0 HD11 LEU A 65 -0.458 10.107 11.857 1.00 3.06 H new ATOM 0 HD12 LEU A 65 0.151 10.720 13.413 1.00 3.06 H new ATOM 0 HD13 LEU A 65 0.186 11.762 11.970 1.00 3.06 H new ATOM 0 HD21 LEU A 65 1.033 9.640 10.016 1.00 2.87 H new ATOM 0 HD22 LEU A 65 1.814 11.237 10.090 1.00 2.87 H new ATOM 0 HD23 LEU A 65 2.800 9.759 10.194 1.00 2.87 H new ATOM 1047 N PRO A 66 2.213 13.116 15.117 1.00 1.26 N ATOM 1048 CA PRO A 66 1.291 13.924 15.905 1.00 1.53 C ATOM 1049 C PRO A 66 -0.080 13.957 15.225 1.00 1.68 C ATOM 1050 O PRO A 66 -0.166 13.770 14.006 1.00 1.45 O ATOM 1051 CB PRO A 66 1.912 15.322 15.991 1.00 1.78 C ATOM 1052 CG PRO A 66 2.752 15.415 14.722 1.00 1.71 C ATOM 1053 CD PRO A 66 3.206 13.974 14.486 1.00 1.43 C ATOM 0 HA PRO A 66 1.138 13.516 16.904 1.00 1.53 H new ATOM 0 HB2 PRO A 66 1.149 16.099 16.025 1.00 1.78 H new ATOM 0 HB3 PRO A 66 2.523 15.436 16.886 1.00 1.78 H new ATOM 0 HG2 PRO A 66 2.170 15.795 13.882 1.00 1.71 H new ATOM 0 HG3 PRO A 66 3.601 16.087 14.851 1.00 1.71 H new ATOM 0 HD2 PRO A 66 3.280 13.761 13.420 1.00 1.43 H new ATOM 0 HD3 PRO A 66 4.194 13.804 14.915 1.00 1.43 H new ATOM 1061 N PRO A 67 -1.153 14.276 15.976 1.00 1.57 N ATOM 1062 CA PRO A 67 -2.500 14.310 15.430 1.00 1.72 C ATOM 1063 C PRO A 67 -2.648 15.287 14.257 1.00 1.83 C ATOM 1064 O PRO A 67 -3.517 15.078 13.416 1.00 1.84 O ATOM 1065 CB PRO A 67 -3.425 14.649 16.606 1.00 1.98 C ATOM 1066 CG PRO A 67 -2.502 15.317 17.624 1.00 2.06 C ATOM 1067 CD PRO A 67 -1.173 14.601 17.394 1.00 1.75 C ATOM 0 HA PRO A 67 -2.762 13.346 14.994 1.00 1.72 H new ATOM 0 HB2 PRO A 67 -4.231 15.316 16.300 1.00 1.98 H new ATOM 0 HB3 PRO A 67 -3.891 13.754 17.018 1.00 1.98 H new ATOM 0 HG2 PRO A 67 -2.419 16.390 17.452 1.00 2.06 H new ATOM 0 HG3 PRO A 67 -2.862 15.185 18.644 1.00 2.06 H new ATOM 0 HD2 PRO A 67 -0.331 15.238 17.663 1.00 1.75 H new ATOM 0 HD3 PRO A 67 -1.100 13.701 18.005 1.00 1.75 H new ATOM 1075 N LYS A 68 -1.773 16.298 14.126 1.00 1.79 N ATOM 1076 CA LYS A 68 -1.847 17.274 13.042 1.00 1.91 C ATOM 1077 C LYS A 68 -1.218 16.756 11.730 1.00 1.92 C ATOM 1078 O LYS A 68 -1.553 17.213 10.637 1.00 1.91 O ATOM 1079 CB LYS A 68 -1.173 18.547 13.579 1.00 2.12 C ATOM 1080 CG LYS A 68 -1.581 19.823 12.840 1.00 2.12 C ATOM 1081 CD LYS A 68 -3.027 20.257 13.140 1.00 2.81 C ATOM 1082 CE LYS A 68 -3.448 21.420 12.237 1.00 3.04 C ATOM 1083 NZ LYS A 68 -4.924 21.547 12.176 1.00 3.62 N ATOM 0 H LYS A 68 -0.998 16.456 14.771 1.00 1.79 H new ATOM 0 HA LYS A 68 -2.881 17.477 12.763 1.00 1.91 H new ATOM 0 HB2 LYS A 68 -1.416 18.657 14.636 1.00 2.12 H new ATOM 0 HB3 LYS A 68 -0.091 18.430 13.512 1.00 2.12 H new ATOM 0 HG2 LYS A 68 -0.901 20.629 13.116 1.00 2.12 H new ATOM 0 HG3 LYS A 68 -1.470 19.666 11.767 1.00 2.12 H new ATOM 0 HD2 LYS A 68 -3.702 19.414 12.992 1.00 2.81 H new ATOM 0 HD3 LYS A 68 -3.112 20.554 14.185 1.00 2.81 H new ATOM 0 HE2 LYS A 68 -3.016 22.348 12.611 1.00 3.04 H new ATOM 0 HE3 LYS A 68 -3.052 21.266 11.233 1.00 3.04 H new ATOM 0 HZ1 LYS A 68 -5.189 22.118 11.348 1.00 3.62 H new ATOM 0 HZ2 LYS A 68 -5.351 20.602 12.096 1.00 3.62 H new ATOM 0 HZ3 LYS A 68 -5.269 22.010 13.041 1.00 3.62 H new ATOM 1097 N ALA A 69 -0.315 15.775 11.817 1.00 1.61 N ATOM 1098 CA ALA A 69 0.204 15.047 10.661 1.00 1.45 C ATOM 1099 C ALA A 69 -0.827 14.065 10.077 1.00 1.48 C ATOM 1100 O ALA A 69 -0.848 13.911 8.863 1.00 1.48 O ATOM 1101 CB ALA A 69 1.521 14.373 11.052 1.00 1.46 C ATOM 0 H ALA A 69 0.079 15.462 12.704 1.00 1.61 H new ATOM 0 HA ALA A 69 0.403 15.750 9.853 1.00 1.45 H new ATOM 0 HB1 ALA A 69 1.918 13.826 10.197 1.00 1.46 H new ATOM 0 HB2 ALA A 69 2.239 15.131 11.363 1.00 1.46 H new ATOM 0 HB3 ALA A 69 1.345 13.681 11.875 1.00 1.46 H new ATOM 1107 N GLN A 70 -1.729 13.477 10.884 1.00 1.43 N ATOM 1108 CA GLN A 70 -2.799 12.582 10.405 1.00 1.51 C ATOM 1109 C GLN A 70 -3.607 13.207 9.260 1.00 1.48 C ATOM 1110 O GLN A 70 -3.870 12.553 8.257 1.00 1.73 O ATOM 1111 CB GLN A 70 -3.789 12.265 11.533 1.00 1.89 C ATOM 1112 CG GLN A 70 -3.205 11.513 12.737 1.00 1.68 C ATOM 1113 CD GLN A 70 -4.283 11.231 13.785 1.00 2.19 C ATOM 1114 OE1 GLN A 70 -4.959 12.239 14.300 1.00 2.59 O flip ATOM 1115 NE2 GLN A 70 -4.556 10.101 14.149 1.00 3.11 N flip ATOM 0 H GLN A 70 -1.736 13.611 11.895 1.00 1.43 H new ATOM 0 HA GLN A 70 -2.300 11.679 10.054 1.00 1.51 H new ATOM 0 HB2 GLN A 70 -4.221 13.201 11.887 1.00 1.89 H new ATOM 0 HB3 GLN A 70 -4.606 11.674 11.119 1.00 1.89 H new ATOM 0 HG2 GLN A 70 -2.763 10.574 12.404 1.00 1.68 H new ATOM 0 HG3 GLN A 70 -2.404 12.102 13.184 1.00 1.68 H new ATOM 0 HE21 GLN A 70 -4.047 9.305 13.765 1.00 3.11 H new ATOM 0 HE22 GLN A 70 -5.293 9.951 14.838 1.00 3.11 H new ATOM 1124 N GLU A 71 -3.928 14.502 9.372 1.00 1.45 N ATOM 1125 CA GLU A 71 -4.644 15.320 8.375 1.00 1.48 C ATOM 1126 C GLU A 71 -4.091 15.184 6.952 1.00 1.52 C ATOM 1127 O GLU A 71 -4.812 15.338 5.966 1.00 1.79 O ATOM 1128 CB GLU A 71 -4.485 16.802 8.733 1.00 1.53 C ATOM 1129 CG GLU A 71 -4.789 17.107 10.194 1.00 2.13 C ATOM 1130 CD GLU A 71 -4.733 18.605 10.466 1.00 2.60 C ATOM 1131 OE1 GLU A 71 -3.762 19.266 10.032 1.00 2.75 O ATOM 1132 OE2 GLU A 71 -5.607 19.127 11.189 1.00 3.66 O ATOM 0 H GLU A 71 -3.684 15.040 10.204 1.00 1.45 H new ATOM 0 HA GLU A 71 -5.676 14.969 8.396 1.00 1.48 H new ATOM 0 HB2 GLU A 71 -3.465 17.115 8.509 1.00 1.53 H new ATOM 0 HB3 GLU A 71 -5.147 17.394 8.101 1.00 1.53 H new ATOM 0 HG2 GLU A 71 -5.777 16.725 10.450 1.00 2.13 H new ATOM 0 HG3 GLU A 71 -4.072 16.591 10.833 1.00 2.13 H new ATOM 1139 N ARG A 72 -2.783 14.935 6.881 1.00 1.20 N ATOM 1140 CA ARG A 72 -2.032 14.746 5.648 1.00 1.17 C ATOM 1141 C ARG A 72 -1.810 13.274 5.268 1.00 1.38 C ATOM 1142 O ARG A 72 -1.304 13.067 4.173 1.00 1.61 O ATOM 1143 CB ARG A 72 -0.687 15.497 5.685 1.00 1.35 C ATOM 1144 CG ARG A 72 -0.835 16.998 5.989 1.00 2.07 C ATOM 1145 CD ARG A 72 -0.500 17.334 7.445 1.00 2.53 C ATOM 1146 NE ARG A 72 -1.297 18.460 7.982 1.00 3.92 N ATOM 1147 CZ ARG A 72 -1.479 19.670 7.463 1.00 4.52 C ATOM 1148 NH1 ARG A 72 -0.810 20.108 6.418 1.00 4.24 N ATOM 1149 NH2 ARG A 72 -2.372 20.455 8.016 1.00 6.06 N ATOM 0 H ARG A 72 -2.199 14.857 7.714 1.00 1.20 H new ATOM 0 HA ARG A 72 -2.661 15.173 4.867 1.00 1.17 H new ATOM 0 HB2 ARG A 72 -0.046 15.042 6.440 1.00 1.35 H new ATOM 0 HB3 ARG A 72 -0.185 15.376 4.725 1.00 1.35 H new ATOM 0 HG2 ARG A 72 -0.181 17.566 5.328 1.00 2.07 H new ATOM 0 HG3 ARG A 72 -1.856 17.311 5.772 1.00 2.07 H new ATOM 0 HD2 ARG A 72 -0.668 16.452 8.063 1.00 2.53 H new ATOM 0 HD3 ARG A 72 0.559 17.579 7.520 1.00 2.53 H new ATOM 0 HE ARG A 72 -1.770 18.284 8.869 1.00 3.92 H new ATOM 0 HH11 ARG A 72 -0.116 19.510 5.970 1.00 4.24 H new ATOM 0 HH12 ARG A 72 -0.986 21.045 6.056 1.00 4.24 H new ATOM 0 HH21 ARG A 72 -2.905 20.132 8.823 1.00 6.06 H new ATOM 0 HH22 ARG A 72 -2.533 21.389 7.639 1.00 6.06 H new ATOM 1163 N VAL A 73 -2.163 12.272 6.083 1.00 1.16 N ATOM 1164 CA VAL A 73 -1.777 10.855 5.886 1.00 1.15 C ATOM 1165 C VAL A 73 -3.007 9.933 5.841 1.00 1.38 C ATOM 1166 O VAL A 73 -3.837 9.938 6.748 1.00 1.62 O ATOM 1167 CB VAL A 73 -0.774 10.369 6.965 1.00 1.24 C ATOM 1168 CG1 VAL A 73 -0.329 8.915 6.713 1.00 1.50 C ATOM 1169 CG2 VAL A 73 0.496 11.241 7.008 1.00 2.13 C ATOM 0 H VAL A 73 -2.735 12.418 6.915 1.00 1.16 H new ATOM 0 HA VAL A 73 -1.276 10.802 4.919 1.00 1.15 H new ATOM 0 HB VAL A 73 -1.306 10.442 7.914 1.00 1.24 H new ATOM 0 HG11 VAL A 73 0.373 8.610 7.489 1.00 1.50 H new ATOM 0 HG12 VAL A 73 -1.200 8.259 6.733 1.00 1.50 H new ATOM 0 HG13 VAL A 73 0.155 8.846 5.739 1.00 1.50 H new ATOM 0 HG21 VAL A 73 1.170 10.865 7.777 1.00 2.13 H new ATOM 0 HG22 VAL A 73 0.995 11.205 6.040 1.00 2.13 H new ATOM 0 HG23 VAL A 73 0.223 12.271 7.237 1.00 2.13 H new ATOM 1179 N GLN A 74 -3.106 9.119 4.786 1.00 1.03 N ATOM 1180 CA GLN A 74 -4.123 8.068 4.612 1.00 1.01 C ATOM 1181 C GLN A 74 -3.463 6.745 4.193 1.00 1.11 C ATOM 1182 O GLN A 74 -2.543 6.762 3.377 1.00 1.28 O ATOM 1183 CB GLN A 74 -5.126 8.498 3.530 1.00 1.06 C ATOM 1184 CG GLN A 74 -6.054 9.636 3.994 1.00 1.76 C ATOM 1185 CD GLN A 74 -6.918 10.203 2.869 1.00 2.65 C ATOM 1186 OE1 GLN A 74 -7.154 11.395 2.777 1.00 3.44 O ATOM 1187 NE2 GLN A 74 -7.409 9.395 1.955 1.00 3.64 N ATOM 0 H GLN A 74 -2.459 9.173 3.999 1.00 1.03 H new ATOM 0 HA GLN A 74 -4.639 7.922 5.561 1.00 1.01 H new ATOM 0 HB2 GLN A 74 -4.581 8.819 2.643 1.00 1.06 H new ATOM 0 HB3 GLN A 74 -5.730 7.639 3.239 1.00 1.06 H new ATOM 0 HG2 GLN A 74 -6.701 9.267 4.790 1.00 1.76 H new ATOM 0 HG3 GLN A 74 -5.451 10.438 4.420 1.00 1.76 H new ATOM 0 HE21 GLN A 74 -7.226 8.393 2.009 1.00 3.64 H new ATOM 0 HE22 GLN A 74 -7.973 9.770 1.192 1.00 3.64 H new ATOM 1196 N VAL A 75 -3.933 5.600 4.713 1.00 0.94 N ATOM 1197 CA VAL A 75 -3.301 4.292 4.438 1.00 0.92 C ATOM 1198 C VAL A 75 -4.229 3.444 3.554 1.00 0.93 C ATOM 1199 O VAL A 75 -5.419 3.315 3.840 1.00 1.17 O ATOM 1200 CB VAL A 75 -2.919 3.552 5.747 1.00 1.14 C ATOM 1201 CG1 VAL A 75 -1.845 2.484 5.475 1.00 1.31 C ATOM 1202 CG2 VAL A 75 -2.362 4.498 6.828 1.00 1.70 C ATOM 0 H VAL A 75 -4.747 5.549 5.326 1.00 0.94 H new ATOM 0 HA VAL A 75 -2.369 4.463 3.899 1.00 0.92 H new ATOM 0 HB VAL A 75 -3.843 3.101 6.109 1.00 1.14 H new ATOM 0 HG11 VAL A 75 -1.592 1.977 6.406 1.00 1.31 H new ATOM 0 HG12 VAL A 75 -2.228 1.757 4.759 1.00 1.31 H new ATOM 0 HG13 VAL A 75 -0.953 2.960 5.067 1.00 1.31 H new ATOM 0 HG21 VAL A 75 -2.112 3.924 7.720 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -1.466 4.992 6.452 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -3.113 5.248 7.077 1.00 1.70 H new ATOM 1212 N ILE A 76 -3.708 2.906 2.447 1.00 0.71 N ATOM 1213 CA ILE A 76 -4.490 2.217 1.405 1.00 0.64 C ATOM 1214 C ILE A 76 -3.919 0.824 1.118 1.00 0.81 C ATOM 1215 O ILE A 76 -2.770 0.670 0.691 1.00 1.03 O ATOM 1216 CB ILE A 76 -4.531 3.062 0.110 1.00 0.73 C ATOM 1217 CG1 ILE A 76 -5.121 4.481 0.299 1.00 1.05 C ATOM 1218 CG2 ILE A 76 -5.297 2.332 -1.008 1.00 0.78 C ATOM 1219 CD1 ILE A 76 -6.590 4.548 0.732 1.00 1.48 C ATOM 0 H ILE A 76 -2.709 2.936 2.242 1.00 0.71 H new ATOM 0 HA ILE A 76 -5.508 2.095 1.774 1.00 0.64 H new ATOM 0 HB ILE A 76 -3.487 3.189 -0.175 1.00 0.73 H new ATOM 0 HG12 ILE A 76 -4.520 5.006 1.041 1.00 1.05 H new ATOM 0 HG13 ILE A 76 -5.015 5.025 -0.640 1.00 1.05 H new ATOM 0 HG21 ILE A 76 -5.309 2.951 -1.905 1.00 0.78 H new ATOM 0 HG22 ILE A 76 -4.805 1.384 -1.227 1.00 0.78 H new ATOM 0 HG23 ILE A 76 -6.321 2.143 -0.684 1.00 0.78 H new ATOM 0 HD11 ILE A 76 -6.893 5.590 0.832 1.00 1.48 H new ATOM 0 HD12 ILE A 76 -7.213 4.060 -0.018 1.00 1.48 H new ATOM 0 HD13 ILE A 76 -6.711 4.041 1.690 1.00 1.48 H new ATOM 1231 N PHE A 77 -4.757 -0.196 1.279 1.00 0.56 N ATOM 1232 CA PHE A 77 -4.438 -1.560 0.883 1.00 0.57 C ATOM 1233 C PHE A 77 -5.079 -1.848 -0.479 1.00 1.54 C ATOM 1234 O PHE A 77 -6.296 -1.743 -0.606 1.00 1.92 O ATOM 1235 CB PHE A 77 -4.935 -2.512 1.981 1.00 0.57 C ATOM 1236 CG PHE A 77 -4.792 -3.978 1.636 1.00 0.77 C ATOM 1237 CD1 PHE A 77 -3.517 -4.552 1.521 1.00 1.96 C ATOM 1238 CD2 PHE A 77 -5.937 -4.769 1.415 1.00 2.28 C ATOM 1239 CE1 PHE A 77 -3.382 -5.914 1.206 1.00 1.97 C ATOM 1240 CE2 PHE A 77 -5.802 -6.122 1.069 1.00 2.25 C ATOM 1241 CZ PHE A 77 -4.524 -6.699 0.970 1.00 1.07 C ATOM 0 H PHE A 77 -5.684 -0.096 1.692 1.00 0.56 H new ATOM 0 HA PHE A 77 -3.363 -1.705 0.773 1.00 0.57 H new ATOM 0 HB2 PHE A 77 -4.384 -2.310 2.899 1.00 0.57 H new ATOM 0 HB3 PHE A 77 -5.984 -2.298 2.185 1.00 0.57 H new ATOM 0 HD1 PHE A 77 -2.637 -3.945 1.675 1.00 1.96 H new ATOM 0 HD2 PHE A 77 -6.920 -4.333 1.512 1.00 2.28 H new ATOM 0 HE1 PHE A 77 -2.400 -6.359 1.145 1.00 1.97 H new ATOM 0 HE2 PHE A 77 -6.681 -6.721 0.879 1.00 2.25 H new ATOM 0 HZ PHE A 77 -4.420 -7.743 0.713 1.00 1.07 H new ATOM 1251 N VAL A 78 -4.271 -2.224 -1.477 1.00 0.71 N ATOM 1252 CA VAL A 78 -4.762 -2.789 -2.746 1.00 0.68 C ATOM 1253 C VAL A 78 -4.499 -4.288 -2.719 1.00 0.97 C ATOM 1254 O VAL A 78 -3.354 -4.730 -2.611 1.00 1.22 O ATOM 1255 CB VAL A 78 -4.113 -2.137 -3.988 1.00 0.73 C ATOM 1256 CG1 VAL A 78 -4.533 -2.843 -5.291 1.00 1.02 C ATOM 1257 CG2 VAL A 78 -4.520 -0.658 -4.097 1.00 1.21 C ATOM 0 H VAL A 78 -3.255 -2.146 -1.430 1.00 0.71 H new ATOM 0 HA VAL A 78 -5.829 -2.582 -2.833 1.00 0.68 H new ATOM 0 HB VAL A 78 -3.034 -2.229 -3.860 1.00 0.73 H new ATOM 0 HG11 VAL A 78 -4.055 -2.354 -6.140 1.00 1.02 H new ATOM 0 HG12 VAL A 78 -4.226 -3.888 -5.254 1.00 1.02 H new ATOM 0 HG13 VAL A 78 -5.616 -2.787 -5.402 1.00 1.02 H new ATOM 0 HG21 VAL A 78 -4.053 -0.216 -4.977 1.00 1.21 H new ATOM 0 HG22 VAL A 78 -5.604 -0.584 -4.185 1.00 1.21 H new ATOM 0 HG23 VAL A 78 -4.192 -0.124 -3.206 1.00 1.21 H new ATOM 1267 N SER A 79 -5.571 -5.071 -2.793 1.00 0.75 N ATOM 1268 CA SER A 79 -5.487 -6.526 -2.864 1.00 0.90 C ATOM 1269 C SER A 79 -4.869 -6.997 -4.191 1.00 1.12 C ATOM 1270 O SER A 79 -5.225 -6.471 -5.247 1.00 1.20 O ATOM 1271 CB SER A 79 -6.879 -7.130 -2.752 1.00 1.09 C ATOM 1272 OG SER A 79 -7.657 -6.775 -3.880 1.00 2.25 O ATOM 0 H SER A 79 -6.526 -4.713 -2.805 1.00 0.75 H new ATOM 0 HA SER A 79 -4.852 -6.853 -2.040 1.00 0.90 H new ATOM 0 HB2 SER A 79 -6.808 -8.215 -2.677 1.00 1.09 H new ATOM 0 HB3 SER A 79 -7.364 -6.779 -1.841 1.00 1.09 H new ATOM 0 HG SER A 79 -7.068 -6.470 -4.601 1.00 2.25 H new ATOM 1278 N VAL A 80 -4.027 -8.031 -4.159 1.00 1.26 N ATOM 1279 CA VAL A 80 -3.336 -8.589 -5.352 1.00 1.32 C ATOM 1280 C VAL A 80 -3.971 -9.894 -5.868 1.00 1.60 C ATOM 1281 O VAL A 80 -3.397 -10.567 -6.724 1.00 1.97 O ATOM 1282 CB VAL A 80 -1.810 -8.764 -5.135 1.00 1.44 C ATOM 1283 CG1 VAL A 80 -1.152 -7.427 -4.749 1.00 2.73 C ATOM 1284 CG2 VAL A 80 -1.485 -9.847 -4.096 1.00 1.95 C ATOM 0 H VAL A 80 -3.793 -8.521 -3.296 1.00 1.26 H new ATOM 0 HA VAL A 80 -3.473 -7.839 -6.131 1.00 1.32 H new ATOM 0 HB VAL A 80 -1.394 -9.097 -6.086 1.00 1.44 H new ATOM 0 HG11 VAL A 80 -0.082 -7.577 -4.602 1.00 2.73 H new ATOM 0 HG12 VAL A 80 -1.311 -6.700 -5.545 1.00 2.73 H new ATOM 0 HG13 VAL A 80 -1.596 -7.056 -3.825 1.00 2.73 H new ATOM 0 HG21 VAL A 80 -0.404 -9.929 -3.982 1.00 1.95 H new ATOM 0 HG22 VAL A 80 -1.931 -9.578 -3.139 1.00 1.95 H new ATOM 0 HG23 VAL A 80 -1.888 -10.803 -4.429 1.00 1.95 H new ATOM 1294 N ASP A 81 -5.158 -10.259 -5.359 1.00 1.28 N ATOM 1295 CA ASP A 81 -5.866 -11.485 -5.739 1.00 1.38 C ATOM 1296 C ASP A 81 -7.375 -11.219 -5.968 1.00 1.40 C ATOM 1297 O ASP A 81 -8.208 -11.512 -5.101 1.00 1.43 O ATOM 1298 CB ASP A 81 -5.575 -12.595 -4.710 1.00 1.57 C ATOM 1299 CG ASP A 81 -5.975 -13.995 -5.196 1.00 1.91 C ATOM 1300 OD1 ASP A 81 -6.496 -14.123 -6.330 1.00 2.17 O ATOM 1301 OD2 ASP A 81 -5.773 -14.957 -4.424 1.00 3.16 O ATOM 0 H ASP A 81 -5.656 -9.703 -4.664 1.00 1.28 H new ATOM 0 HA ASP A 81 -5.493 -11.840 -6.700 1.00 1.38 H new ATOM 0 HB2 ASP A 81 -4.511 -12.591 -4.473 1.00 1.57 H new ATOM 0 HB3 ASP A 81 -6.109 -12.373 -3.786 1.00 1.57 H new ATOM 1306 N PRO A 82 -7.751 -10.641 -7.130 1.00 1.49 N ATOM 1307 CA PRO A 82 -9.148 -10.467 -7.524 1.00 1.59 C ATOM 1308 C PRO A 82 -9.818 -11.840 -7.702 1.00 1.95 C ATOM 1309 O PRO A 82 -9.153 -12.802 -8.081 1.00 3.93 O ATOM 1310 CB PRO A 82 -9.122 -9.650 -8.821 1.00 1.94 C ATOM 1311 CG PRO A 82 -7.748 -9.968 -9.413 1.00 2.12 C ATOM 1312 CD PRO A 82 -6.864 -10.168 -8.185 1.00 1.82 C ATOM 0 HA PRO A 82 -9.734 -9.944 -6.768 1.00 1.59 H new ATOM 0 HB2 PRO A 82 -9.927 -9.941 -9.495 1.00 1.94 H new ATOM 0 HB3 PRO A 82 -9.239 -8.584 -8.627 1.00 1.94 H new ATOM 0 HG2 PRO A 82 -7.777 -10.862 -10.036 1.00 2.12 H new ATOM 0 HG3 PRO A 82 -7.384 -9.154 -10.041 1.00 2.12 H new ATOM 0 HD2 PRO A 82 -6.074 -10.892 -8.386 1.00 1.82 H new ATOM 0 HD3 PRO A 82 -6.377 -9.236 -7.898 1.00 1.82 H new ATOM 1320 N GLU A 83 -11.110 -11.910 -7.349 1.00 1.23 N ATOM 1321 CA GLU A 83 -11.915 -13.093 -6.954 1.00 1.41 C ATOM 1322 C GLU A 83 -11.817 -13.299 -5.437 1.00 1.80 C ATOM 1323 O GLU A 83 -12.825 -13.444 -4.748 1.00 2.74 O ATOM 1324 CB GLU A 83 -11.492 -14.454 -7.558 1.00 1.45 C ATOM 1325 CG GLU A 83 -11.567 -14.638 -9.074 1.00 1.72 C ATOM 1326 CD GLU A 83 -10.582 -15.737 -9.488 1.00 1.97 C ATOM 1327 OE1 GLU A 83 -10.606 -16.850 -8.911 1.00 2.84 O ATOM 1328 OE2 GLU A 83 -9.674 -15.417 -10.288 1.00 2.40 O ATOM 0 H GLU A 83 -11.679 -11.064 -7.328 1.00 1.23 H new ATOM 0 HA GLU A 83 -12.909 -12.848 -7.330 1.00 1.41 H new ATOM 0 HB2 GLU A 83 -10.464 -14.646 -7.252 1.00 1.45 H new ATOM 0 HB3 GLU A 83 -12.111 -15.226 -7.100 1.00 1.45 H new ATOM 0 HG2 GLU A 83 -12.580 -14.908 -9.372 1.00 1.72 H new ATOM 0 HG3 GLU A 83 -11.324 -13.704 -9.580 1.00 1.72 H new ATOM 1335 N ARG A 84 -10.580 -13.395 -4.942 1.00 1.27 N ATOM 1336 CA ARG A 84 -10.241 -14.188 -3.758 1.00 1.43 C ATOM 1337 C ARG A 84 -10.055 -13.330 -2.510 1.00 1.55 C ATOM 1338 O ARG A 84 -10.379 -13.771 -1.405 1.00 1.79 O ATOM 1339 CB ARG A 84 -8.964 -14.972 -4.096 1.00 1.87 C ATOM 1340 CG ARG A 84 -8.880 -16.341 -3.419 1.00 2.21 C ATOM 1341 CD ARG A 84 -8.320 -16.283 -1.993 1.00 3.06 C ATOM 1342 NE ARG A 84 -8.862 -17.398 -1.192 1.00 3.50 N ATOM 1343 CZ ARG A 84 -10.027 -17.403 -0.544 1.00 4.26 C ATOM 1344 NH1 ARG A 84 -10.762 -16.323 -0.383 1.00 5.10 N ATOM 1345 NH2 ARG A 84 -10.488 -18.531 -0.042 1.00 5.03 N ATOM 0 H ARG A 84 -9.778 -12.920 -5.356 1.00 1.27 H new ATOM 0 HA ARG A 84 -11.062 -14.863 -3.518 1.00 1.43 H new ATOM 0 HB2 ARG A 84 -8.908 -15.108 -5.176 1.00 1.87 H new ATOM 0 HB3 ARG A 84 -8.097 -14.379 -3.804 1.00 1.87 H new ATOM 0 HG2 ARG A 84 -9.874 -16.786 -3.393 1.00 2.21 H new ATOM 0 HG3 ARG A 84 -8.252 -16.998 -4.021 1.00 2.21 H new ATOM 0 HD2 ARG A 84 -7.232 -16.338 -2.018 1.00 3.06 H new ATOM 0 HD3 ARG A 84 -8.580 -15.331 -1.530 1.00 3.06 H new ATOM 0 HE ARG A 84 -8.293 -18.242 -1.128 1.00 3.50 H new ATOM 0 HH11 ARG A 84 -10.447 -15.430 -0.762 1.00 5.10 H new ATOM 0 HH12 ARG A 84 -11.647 -16.379 0.121 1.00 5.10 H new ATOM 0 HH21 ARG A 84 -9.954 -19.393 -0.150 1.00 5.03 H new ATOM 0 HH22 ARG A 84 -11.379 -18.542 0.455 1.00 5.03 H new ATOM 1359 N ASP A 85 -9.552 -12.115 -2.681 1.00 1.30 N ATOM 1360 CA ASP A 85 -9.479 -11.054 -1.679 1.00 1.22 C ATOM 1361 C ASP A 85 -10.576 -10.006 -1.992 1.00 1.22 C ATOM 1362 O ASP A 85 -10.296 -9.015 -2.671 1.00 1.33 O ATOM 1363 CB ASP A 85 -8.048 -10.463 -1.727 1.00 1.29 C ATOM 1364 CG ASP A 85 -7.616 -9.733 -0.451 1.00 1.66 C ATOM 1365 OD1 ASP A 85 -8.426 -9.649 0.499 1.00 2.09 O ATOM 1366 OD2 ASP A 85 -6.422 -9.365 -0.372 1.00 2.66 O ATOM 0 H ASP A 85 -9.160 -11.824 -3.576 1.00 1.30 H new ATOM 0 HA ASP A 85 -9.661 -11.419 -0.668 1.00 1.22 H new ATOM 0 HB2 ASP A 85 -7.342 -11.270 -1.925 1.00 1.29 H new ATOM 0 HB3 ASP A 85 -7.983 -9.770 -2.566 1.00 1.29 H new ATOM 1371 N PRO A 86 -11.852 -10.234 -1.609 1.00 1.05 N ATOM 1372 CA PRO A 86 -12.962 -9.346 -1.957 1.00 1.06 C ATOM 1373 C PRO A 86 -12.906 -8.051 -1.130 1.00 1.08 C ATOM 1374 O PRO A 86 -12.396 -8.084 -0.005 1.00 0.94 O ATOM 1375 CB PRO A 86 -14.234 -10.151 -1.676 1.00 1.14 C ATOM 1376 CG PRO A 86 -13.808 -11.061 -0.528 1.00 1.19 C ATOM 1377 CD PRO A 86 -12.359 -11.389 -0.883 1.00 1.19 C ATOM 0 HA PRO A 86 -12.923 -9.031 -3.000 1.00 1.06 H new ATOM 0 HB2 PRO A 86 -15.067 -9.507 -1.394 1.00 1.14 H new ATOM 0 HB3 PRO A 86 -14.553 -10.722 -2.548 1.00 1.14 H new ATOM 0 HG2 PRO A 86 -13.885 -10.560 0.437 1.00 1.19 H new ATOM 0 HG3 PRO A 86 -14.425 -11.958 -0.472 1.00 1.19 H new ATOM 0 HD2 PRO A 86 -11.770 -11.575 0.015 1.00 1.19 H new ATOM 0 HD3 PRO A 86 -12.301 -12.290 -1.494 1.00 1.19 H new ATOM 1385 N PRO A 87 -13.456 -6.927 -1.637 1.00 0.70 N ATOM 1386 CA PRO A 87 -13.202 -5.594 -1.090 1.00 0.75 C ATOM 1387 C PRO A 87 -13.629 -5.451 0.370 1.00 0.98 C ATOM 1388 O PRO A 87 -12.949 -4.757 1.119 1.00 0.79 O ATOM 1389 CB PRO A 87 -13.930 -4.607 -2.007 1.00 0.78 C ATOM 1390 CG PRO A 87 -14.954 -5.458 -2.755 1.00 0.82 C ATOM 1391 CD PRO A 87 -14.295 -6.833 -2.825 1.00 0.79 C ATOM 0 HA PRO A 87 -12.131 -5.394 -1.070 1.00 0.75 H new ATOM 0 HB2 PRO A 87 -14.415 -3.817 -1.433 1.00 0.78 H new ATOM 0 HB3 PRO A 87 -13.238 -4.122 -2.696 1.00 0.78 H new ATOM 0 HG2 PRO A 87 -15.906 -5.496 -2.226 1.00 0.82 H new ATOM 0 HG3 PRO A 87 -15.157 -5.060 -3.749 1.00 0.82 H new ATOM 0 HD2 PRO A 87 -15.043 -7.626 -2.840 1.00 0.79 H new ATOM 0 HD3 PRO A 87 -13.701 -6.937 -3.733 1.00 0.79 H new ATOM 1399 N GLU A 88 -14.687 -6.150 0.803 1.00 0.65 N ATOM 1400 CA GLU A 88 -15.058 -6.203 2.218 1.00 0.74 C ATOM 1401 C GLU A 88 -13.964 -6.819 3.097 1.00 1.14 C ATOM 1402 O GLU A 88 -13.653 -6.263 4.140 1.00 1.34 O ATOM 1403 CB GLU A 88 -16.334 -7.027 2.405 1.00 1.07 C ATOM 1404 CG GLU A 88 -17.588 -6.327 1.882 1.00 1.22 C ATOM 1405 CD GLU A 88 -18.800 -7.210 2.158 1.00 2.17 C ATOM 1406 OE1 GLU A 88 -19.078 -7.424 3.361 1.00 2.57 O ATOM 1407 OE2 GLU A 88 -19.385 -7.701 1.169 1.00 3.42 O ATOM 0 H GLU A 88 -15.300 -6.687 0.190 1.00 0.65 H new ATOM 0 HA GLU A 88 -15.211 -5.169 2.528 1.00 0.74 H new ATOM 0 HB2 GLU A 88 -16.219 -7.982 1.893 1.00 1.07 H new ATOM 0 HB3 GLU A 88 -16.464 -7.247 3.465 1.00 1.07 H new ATOM 0 HG2 GLU A 88 -17.709 -5.359 2.368 1.00 1.22 H new ATOM 0 HG3 GLU A 88 -17.495 -6.138 0.813 1.00 1.22 H new ATOM 1414 N VAL A 89 -13.383 -7.960 2.723 1.00 0.81 N ATOM 1415 CA VAL A 89 -12.411 -8.693 3.562 1.00 0.85 C ATOM 1416 C VAL A 89 -11.081 -7.935 3.619 1.00 1.03 C ATOM 1417 O VAL A 89 -10.492 -7.804 4.692 1.00 0.95 O ATOM 1418 CB VAL A 89 -12.202 -10.141 3.063 1.00 1.01 C ATOM 1419 CG1 VAL A 89 -11.089 -10.887 3.821 1.00 1.19 C ATOM 1420 CG2 VAL A 89 -13.506 -10.946 3.225 1.00 1.19 C ATOM 0 H VAL A 89 -13.569 -8.410 1.827 1.00 0.81 H new ATOM 0 HA VAL A 89 -12.820 -8.757 4.570 1.00 0.85 H new ATOM 0 HB VAL A 89 -11.908 -10.061 2.016 1.00 1.01 H new ATOM 0 HG11 VAL A 89 -10.992 -11.897 3.423 1.00 1.19 H new ATOM 0 HG12 VAL A 89 -10.145 -10.356 3.697 1.00 1.19 H new ATOM 0 HG13 VAL A 89 -11.341 -10.937 4.880 1.00 1.19 H new ATOM 0 HG21 VAL A 89 -13.351 -11.965 2.871 1.00 1.19 H new ATOM 0 HG22 VAL A 89 -13.793 -10.967 4.276 1.00 1.19 H new ATOM 0 HG23 VAL A 89 -14.298 -10.476 2.642 1.00 1.19 H new ATOM 1430 N ALA A 90 -10.657 -7.395 2.470 1.00 0.75 N ATOM 1431 CA ALA A 90 -9.557 -6.448 2.335 1.00 0.70 C ATOM 1432 C ALA A 90 -9.716 -5.230 3.269 1.00 0.86 C ATOM 1433 O ALA A 90 -8.760 -4.833 3.933 1.00 1.00 O ATOM 1434 CB ALA A 90 -9.497 -6.076 0.841 1.00 0.65 C ATOM 0 H ALA A 90 -11.093 -7.619 1.575 1.00 0.75 H new ATOM 0 HA ALA A 90 -8.611 -6.889 2.649 1.00 0.70 H new ATOM 0 HB1 ALA A 90 -8.688 -5.365 0.675 1.00 0.65 H new ATOM 0 HB2 ALA A 90 -9.318 -6.974 0.249 1.00 0.65 H new ATOM 0 HB3 ALA A 90 -10.443 -5.626 0.540 1.00 0.65 H new ATOM 1440 N ASP A 91 -10.923 -4.664 3.373 1.00 0.53 N ATOM 1441 CA ASP A 91 -11.214 -3.563 4.299 1.00 0.51 C ATOM 1442 C ASP A 91 -11.238 -4.015 5.764 1.00 0.95 C ATOM 1443 O ASP A 91 -10.517 -3.443 6.577 1.00 1.02 O ATOM 1444 CB ASP A 91 -12.518 -2.860 3.897 1.00 0.54 C ATOM 1445 CG ASP A 91 -12.672 -1.520 4.623 1.00 0.68 C ATOM 1446 OD1 ASP A 91 -11.989 -0.560 4.197 1.00 1.53 O ATOM 1447 OD2 ASP A 91 -13.446 -1.444 5.605 1.00 1.68 O ATOM 0 H ASP A 91 -11.727 -4.956 2.817 1.00 0.53 H new ATOM 0 HA ASP A 91 -10.398 -2.845 4.222 1.00 0.51 H new ATOM 0 HB2 ASP A 91 -12.528 -2.696 2.819 1.00 0.54 H new ATOM 0 HB3 ASP A 91 -13.367 -3.502 4.130 1.00 0.54 H new ATOM 1452 N ARG A 92 -12.006 -5.060 6.108 1.00 0.57 N ATOM 1453 CA ARG A 92 -12.166 -5.563 7.483 1.00 0.62 C ATOM 1454 C ARG A 92 -10.816 -5.794 8.157 1.00 1.13 C ATOM 1455 O ARG A 92 -10.606 -5.357 9.287 1.00 1.43 O ATOM 1456 CB ARG A 92 -12.929 -6.900 7.476 1.00 0.77 C ATOM 1457 CG ARG A 92 -14.343 -6.823 6.890 1.00 1.00 C ATOM 1458 CD ARG A 92 -15.487 -6.879 7.895 1.00 1.34 C ATOM 1459 NE ARG A 92 -15.566 -5.626 8.660 1.00 2.62 N ATOM 1460 CZ ARG A 92 -16.592 -5.227 9.403 1.00 3.65 C ATOM 1461 NH1 ARG A 92 -17.686 -5.957 9.530 1.00 3.60 N ATOM 1462 NH2 ARG A 92 -16.514 -4.073 10.029 1.00 5.24 N ATOM 0 H ARG A 92 -12.545 -5.591 5.424 1.00 0.57 H new ATOM 0 HA ARG A 92 -12.721 -4.806 8.037 1.00 0.62 H new ATOM 0 HB2 ARG A 92 -12.353 -7.629 6.907 1.00 0.77 H new ATOM 0 HB3 ARG A 92 -12.993 -7.272 8.498 1.00 0.77 H new ATOM 0 HG2 ARG A 92 -14.430 -5.897 6.322 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -14.467 -7.643 6.183 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -16.428 -7.053 7.373 1.00 1.34 H new ATOM 0 HD3 ARG A 92 -15.340 -7.718 8.575 1.00 1.34 H new ATOM 0 HE ARG A 92 -14.758 -5.005 8.616 1.00 2.62 H new ATOM 0 HH11 ARG A 92 -17.759 -6.854 9.050 1.00 3.60 H new ATOM 0 HH12 ARG A 92 -18.457 -5.623 10.108 1.00 3.60 H new ATOM 0 HH21 ARG A 92 -15.675 -3.500 9.940 1.00 5.24 H new ATOM 0 HH22 ARG A 92 -17.293 -3.751 10.604 1.00 5.24 H new ATOM 1476 N TYR A 93 -9.912 -6.475 7.455 1.00 0.65 N ATOM 1477 CA TYR A 93 -8.570 -6.800 7.955 1.00 0.74 C ATOM 1478 C TYR A 93 -7.728 -5.531 8.197 1.00 1.11 C ATOM 1479 O TYR A 93 -7.100 -5.385 9.245 1.00 1.34 O ATOM 1480 CB TYR A 93 -7.887 -7.768 6.967 1.00 0.83 C ATOM 1481 CG TYR A 93 -6.940 -8.784 7.589 1.00 1.20 C ATOM 1482 CD1 TYR A 93 -5.873 -8.372 8.413 1.00 2.39 C ATOM 1483 CD2 TYR A 93 -7.138 -10.160 7.343 1.00 2.29 C ATOM 1484 CE1 TYR A 93 -5.018 -9.325 9.001 1.00 2.61 C ATOM 1485 CE2 TYR A 93 -6.285 -11.119 7.926 1.00 2.59 C ATOM 1486 CZ TYR A 93 -5.224 -10.700 8.762 1.00 2.02 C ATOM 1487 OH TYR A 93 -4.394 -11.608 9.339 1.00 2.57 O ATOM 0 H TYR A 93 -10.089 -6.822 6.512 1.00 0.65 H new ATOM 0 HA TYR A 93 -8.658 -7.290 8.924 1.00 0.74 H new ATOM 0 HB2 TYR A 93 -8.661 -8.307 6.421 1.00 0.83 H new ATOM 0 HB3 TYR A 93 -7.331 -7.180 6.236 1.00 0.83 H new ATOM 0 HD1 TYR A 93 -5.710 -7.320 8.595 1.00 2.39 H new ATOM 0 HD2 TYR A 93 -7.948 -10.480 6.704 1.00 2.29 H new ATOM 0 HE1 TYR A 93 -4.205 -9.003 9.635 1.00 2.61 H new ATOM 0 HE2 TYR A 93 -6.441 -12.170 7.735 1.00 2.59 H new ATOM 0 HH TYR A 93 -4.667 -12.512 9.079 1.00 2.57 H new ATOM 1497 N ALA A 94 -7.764 -4.580 7.263 1.00 0.70 N ATOM 1498 CA ALA A 94 -7.041 -3.310 7.321 1.00 0.69 C ATOM 1499 C ALA A 94 -7.581 -2.360 8.416 1.00 0.91 C ATOM 1500 O ALA A 94 -6.817 -1.841 9.232 1.00 0.99 O ATOM 1501 CB ALA A 94 -7.119 -2.729 5.904 1.00 0.69 C ATOM 0 H ALA A 94 -8.319 -4.677 6.413 1.00 0.70 H new ATOM 0 HA ALA A 94 -6.002 -3.455 7.618 1.00 0.69 H new ATOM 0 HB1 ALA A 94 -6.596 -1.773 5.873 1.00 0.69 H new ATOM 0 HB2 ALA A 94 -6.654 -3.420 5.201 1.00 0.69 H new ATOM 0 HB3 ALA A 94 -8.163 -2.580 5.629 1.00 0.69 H new ATOM 1507 N LYS A 95 -8.905 -2.179 8.513 1.00 0.65 N ATOM 1508 CA LYS A 95 -9.555 -1.392 9.572 1.00 0.74 C ATOM 1509 C LYS A 95 -9.295 -1.944 10.980 1.00 0.96 C ATOM 1510 O LYS A 95 -9.264 -1.166 11.934 1.00 1.17 O ATOM 1511 CB LYS A 95 -11.080 -1.382 9.385 1.00 0.85 C ATOM 1512 CG LYS A 95 -11.621 -0.761 8.101 1.00 1.51 C ATOM 1513 CD LYS A 95 -11.589 0.767 8.068 1.00 1.20 C ATOM 1514 CE LYS A 95 -12.237 1.155 6.736 1.00 1.40 C ATOM 1515 NZ LYS A 95 -12.123 2.594 6.428 1.00 1.97 N ATOM 0 H LYS A 95 -9.566 -2.581 7.848 1.00 0.65 H new ATOM 0 HA LYS A 95 -9.126 -0.393 9.487 1.00 0.74 H new ATOM 0 HB2 LYS A 95 -11.433 -2.412 9.437 1.00 0.85 H new ATOM 0 HB3 LYS A 95 -11.520 -0.851 10.229 1.00 0.85 H new ATOM 0 HG2 LYS A 95 -11.044 -1.141 7.258 1.00 1.51 H new ATOM 0 HG3 LYS A 95 -12.650 -1.093 7.958 1.00 1.51 H new ATOM 0 HD2 LYS A 95 -12.137 1.190 8.910 1.00 1.20 H new ATOM 0 HD3 LYS A 95 -10.567 1.141 8.132 1.00 1.20 H new ATOM 0 HE2 LYS A 95 -11.773 0.581 5.934 1.00 1.40 H new ATOM 0 HE3 LYS A 95 -13.291 0.878 6.758 1.00 1.40 H new ATOM 0 HZ1 LYS A 95 -12.610 2.797 5.532 1.00 1.97 H new ATOM 0 HZ2 LYS A 95 -12.559 3.148 7.192 1.00 1.97 H new ATOM 0 HZ3 LYS A 95 -11.119 2.852 6.343 1.00 1.97 H new ATOM 1529 N ALA A 96 -9.121 -3.266 11.123 1.00 0.83 N ATOM 1530 CA ALA A 96 -8.916 -3.923 12.415 1.00 0.97 C ATOM 1531 C ALA A 96 -7.603 -3.503 13.088 1.00 1.16 C ATOM 1532 O ALA A 96 -7.503 -3.544 14.312 1.00 1.36 O ATOM 1533 CB ALA A 96 -8.972 -5.439 12.215 1.00 1.02 C ATOM 0 H ALA A 96 -9.119 -3.913 10.334 1.00 0.83 H new ATOM 0 HA ALA A 96 -9.713 -3.608 13.089 1.00 0.97 H new ATOM 0 HB1 ALA A 96 -8.820 -5.938 13.172 1.00 1.02 H new ATOM 0 HB2 ALA A 96 -9.945 -5.717 11.811 1.00 1.02 H new ATOM 0 HB3 ALA A 96 -8.190 -5.743 11.519 1.00 1.02 H new ATOM 1539 N PHE A 97 -6.623 -3.047 12.300 1.00 1.01 N ATOM 1540 CA PHE A 97 -5.432 -2.379 12.814 1.00 1.10 C ATOM 1541 C PHE A 97 -5.695 -0.960 13.297 1.00 2.16 C ATOM 1542 O PHE A 97 -5.231 -0.579 14.375 1.00 2.52 O ATOM 1543 CB PHE A 97 -4.358 -2.383 11.722 1.00 1.18 C ATOM 1544 CG PHE A 97 -3.611 -3.681 11.794 1.00 1.27 C ATOM 1545 CD1 PHE A 97 -2.777 -3.883 12.899 1.00 2.24 C ATOM 1546 CD2 PHE A 97 -3.907 -4.728 10.908 1.00 1.99 C ATOM 1547 CE1 PHE A 97 -2.238 -5.160 13.135 1.00 2.32 C ATOM 1548 CE2 PHE A 97 -3.355 -5.998 11.136 1.00 1.79 C ATOM 1549 CZ PHE A 97 -2.527 -6.214 12.253 1.00 1.43 C ATOM 0 H PHE A 97 -6.638 -3.134 11.284 1.00 1.01 H new ATOM 0 HA PHE A 97 -5.095 -2.932 13.691 1.00 1.10 H new ATOM 0 HB2 PHE A 97 -4.816 -2.263 10.740 1.00 1.18 H new ATOM 0 HB3 PHE A 97 -3.675 -1.545 11.859 1.00 1.18 H new ATOM 0 HD1 PHE A 97 -2.549 -3.064 13.566 1.00 2.24 H new ATOM 0 HD2 PHE A 97 -4.553 -4.558 10.059 1.00 1.99 H new ATOM 0 HE1 PHE A 97 -1.603 -5.330 13.992 1.00 2.32 H new ATOM 0 HE2 PHE A 97 -3.566 -6.809 10.455 1.00 1.79 H new ATOM 0 HZ PHE A 97 -2.112 -7.195 12.433 1.00 1.43 H new ATOM 1559 N HIS A 98 -6.397 -0.178 12.477 1.00 1.06 N ATOM 1560 CA HIS A 98 -6.762 1.202 12.705 1.00 1.10 C ATOM 1561 C HIS A 98 -7.773 1.699 11.646 1.00 1.27 C ATOM 1562 O HIS A 98 -7.688 1.256 10.494 1.00 1.32 O ATOM 1563 CB HIS A 98 -5.484 2.053 12.754 1.00 1.30 C ATOM 1564 CG HIS A 98 -4.756 2.410 11.483 1.00 1.61 C ATOM 1565 ND1 HIS A 98 -4.974 1.952 10.204 1.00 2.75 N ATOM 1566 CD2 HIS A 98 -3.688 3.261 11.424 1.00 2.89 C ATOM 1567 CE1 HIS A 98 -4.045 2.499 9.405 1.00 4.22 C ATOM 1568 NE2 HIS A 98 -3.232 3.303 10.107 1.00 4.34 N ATOM 0 H HIS A 98 -6.743 -0.523 11.582 1.00 1.06 H new ATOM 0 HA HIS A 98 -7.271 1.296 13.664 1.00 1.10 H new ATOM 0 HB2 HIS A 98 -5.738 2.988 13.253 1.00 1.30 H new ATOM 0 HB3 HIS A 98 -4.774 1.532 13.396 1.00 1.30 H new ATOM 0 HD1 HIS A 98 -5.712 1.310 9.914 1.00 2.75 H new ATOM 0 HD2 HIS A 98 -3.269 3.808 12.256 1.00 2.89 H new ATOM 0 HE1 HIS A 98 -3.963 2.317 8.344 1.00 4.22 H new ATOM 1577 N PRO A 99 -8.683 2.639 11.974 1.00 1.08 N ATOM 1578 CA PRO A 99 -9.690 3.136 11.034 1.00 1.24 C ATOM 1579 C PRO A 99 -9.101 3.987 9.896 1.00 1.42 C ATOM 1580 O PRO A 99 -9.800 4.249 8.920 1.00 1.46 O ATOM 1581 CB PRO A 99 -10.672 3.942 11.892 1.00 1.61 C ATOM 1582 CG PRO A 99 -9.803 4.448 13.041 1.00 1.63 C ATOM 1583 CD PRO A 99 -8.842 3.283 13.272 1.00 1.34 C ATOM 0 HA PRO A 99 -10.172 2.307 10.516 1.00 1.24 H new ATOM 0 HB2 PRO A 99 -11.115 4.765 11.331 1.00 1.61 H new ATOM 0 HB3 PRO A 99 -11.494 3.323 12.252 1.00 1.61 H new ATOM 0 HG2 PRO A 99 -9.274 5.363 12.776 1.00 1.63 H new ATOM 0 HG3 PRO A 99 -10.394 4.668 13.930 1.00 1.63 H new ATOM 0 HD2 PRO A 99 -7.884 3.636 13.654 1.00 1.34 H new ATOM 0 HD3 PRO A 99 -9.242 2.586 14.009 1.00 1.34 H new ATOM 1591 N SER A 100 -7.831 4.392 9.999 1.00 1.07 N ATOM 1592 CA SER A 100 -7.070 5.175 9.010 1.00 1.21 C ATOM 1593 C SER A 100 -6.713 4.394 7.733 1.00 1.24 C ATOM 1594 O SER A 100 -6.142 4.965 6.793 1.00 1.40 O ATOM 1595 CB SER A 100 -5.775 5.706 9.653 1.00 1.49 C ATOM 1596 OG SER A 100 -5.800 5.632 11.075 1.00 2.60 O ATOM 0 H SER A 100 -7.270 4.171 10.822 1.00 1.07 H new ATOM 0 HA SER A 100 -7.724 5.992 8.705 1.00 1.21 H new ATOM 0 HB2 SER A 100 -4.926 5.134 9.278 1.00 1.49 H new ATOM 0 HB3 SER A 100 -5.621 6.741 9.349 1.00 1.49 H new ATOM 0 HG SER A 100 -5.335 6.408 11.451 1.00 2.60 H new ATOM 1602 N PHE A 101 -7.086 3.105 7.706 1.00 0.88 N ATOM 1603 CA PHE A 101 -6.976 2.227 6.551 1.00 0.79 C ATOM 1604 C PHE A 101 -8.275 2.215 5.728 1.00 1.85 C ATOM 1605 O PHE A 101 -9.370 2.452 6.238 1.00 2.36 O ATOM 1606 CB PHE A 101 -6.659 0.794 7.024 1.00 0.88 C ATOM 1607 CG PHE A 101 -5.282 0.275 6.651 1.00 1.50 C ATOM 1608 CD1 PHE A 101 -4.864 0.256 5.306 1.00 3.01 C ATOM 1609 CD2 PHE A 101 -4.448 -0.279 7.642 1.00 2.27 C ATOM 1610 CE1 PHE A 101 -3.607 -0.271 4.962 1.00 3.62 C ATOM 1611 CE2 PHE A 101 -3.177 -0.772 7.304 1.00 2.84 C ATOM 1612 CZ PHE A 101 -2.754 -0.760 5.964 1.00 3.19 C ATOM 0 H PHE A 101 -7.485 2.638 8.520 1.00 0.88 H new ATOM 0 HA PHE A 101 -6.173 2.602 5.916 1.00 0.79 H new ATOM 0 HB2 PHE A 101 -6.761 0.757 8.109 1.00 0.88 H new ATOM 0 HB3 PHE A 101 -7.408 0.119 6.610 1.00 0.88 H new ATOM 0 HD1 PHE A 101 -5.512 0.648 4.536 1.00 3.01 H new ATOM 0 HD2 PHE A 101 -4.787 -0.325 8.666 1.00 2.27 H new ATOM 0 HE1 PHE A 101 -3.298 -0.300 3.928 1.00 3.62 H new ATOM 0 HE2 PHE A 101 -2.526 -1.160 8.073 1.00 2.84 H new ATOM 0 HZ PHE A 101 -1.772 -1.127 5.705 1.00 3.19 H new ATOM 1622 N LEU A 102 -8.139 1.862 4.453 1.00 0.67 N ATOM 1623 CA LEU A 102 -9.207 1.503 3.515 1.00 0.62 C ATOM 1624 C LEU A 102 -8.694 0.342 2.657 1.00 0.86 C ATOM 1625 O LEU A 102 -7.559 0.396 2.176 1.00 1.14 O ATOM 1626 CB LEU A 102 -9.566 2.762 2.698 1.00 0.75 C ATOM 1627 CG LEU A 102 -10.304 2.560 1.358 1.00 1.00 C ATOM 1628 CD1 LEU A 102 -11.665 1.865 1.512 1.00 1.14 C ATOM 1629 CD2 LEU A 102 -10.538 3.932 0.704 1.00 1.99 C ATOM 0 H LEU A 102 -7.219 1.815 4.015 1.00 0.67 H new ATOM 0 HA LEU A 102 -10.120 1.170 4.009 1.00 0.62 H new ATOM 0 HB2 LEU A 102 -10.182 3.406 3.326 1.00 0.75 H new ATOM 0 HB3 LEU A 102 -8.643 3.304 2.494 1.00 0.75 H new ATOM 0 HG LEU A 102 -9.673 1.917 0.745 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -12.130 1.754 0.532 1.00 1.14 H new ATOM 0 HD12 LEU A 102 -11.523 0.881 1.959 1.00 1.14 H new ATOM 0 HD13 LEU A 102 -12.310 2.466 2.154 1.00 1.14 H new ATOM 0 HD21 LEU A 102 -11.059 3.799 -0.244 1.00 1.99 H new ATOM 0 HD22 LEU A 102 -11.142 4.552 1.366 1.00 1.99 H new ATOM 0 HD23 LEU A 102 -9.579 4.418 0.526 1.00 1.99 H new ATOM 1641 N GLY A 103 -9.515 -0.699 2.500 1.00 0.48 N ATOM 1642 CA GLY A 103 -9.220 -1.879 1.684 1.00 0.45 C ATOM 1643 C GLY A 103 -9.905 -1.825 0.321 1.00 0.57 C ATOM 1644 O GLY A 103 -11.110 -1.589 0.230 1.00 0.70 O ATOM 0 H GLY A 103 -10.429 -0.746 2.950 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -8.142 -1.961 1.544 1.00 0.45 H new ATOM 0 HA3 GLY A 103 -9.542 -2.775 2.215 1.00 0.45 H new ATOM 1648 N LEU A 104 -9.116 -2.060 -0.729 1.00 0.42 N ATOM 1649 CA LEU A 104 -9.527 -1.995 -2.126 1.00 0.49 C ATOM 1650 C LEU A 104 -9.326 -3.346 -2.832 1.00 1.07 C ATOM 1651 O LEU A 104 -8.247 -3.935 -2.795 1.00 1.33 O ATOM 1652 CB LEU A 104 -8.747 -0.877 -2.848 1.00 0.58 C ATOM 1653 CG LEU A 104 -8.869 0.538 -2.247 1.00 0.68 C ATOM 1654 CD1 LEU A 104 -8.002 1.519 -3.049 1.00 0.93 C ATOM 1655 CD2 LEU A 104 -10.316 1.056 -2.242 1.00 1.07 C ATOM 0 H LEU A 104 -8.133 -2.311 -0.621 1.00 0.42 H new ATOM 0 HA LEU A 104 -10.592 -1.765 -2.162 1.00 0.49 H new ATOM 0 HB2 LEU A 104 -7.692 -1.152 -2.865 1.00 0.58 H new ATOM 0 HB3 LEU A 104 -9.084 -0.839 -3.884 1.00 0.58 H new ATOM 0 HG LEU A 104 -8.530 0.472 -1.213 1.00 0.68 H new ATOM 0 HD11 LEU A 104 -8.091 2.517 -2.621 1.00 0.93 H new ATOM 0 HD12 LEU A 104 -6.961 1.199 -3.011 1.00 0.93 H new ATOM 0 HD13 LEU A 104 -8.338 1.538 -4.086 1.00 0.93 H new ATOM 0 HD21 LEU A 104 -10.343 2.056 -1.808 1.00 1.07 H new ATOM 0 HD22 LEU A 104 -10.693 1.094 -3.264 1.00 1.07 H new ATOM 0 HD23 LEU A 104 -10.940 0.387 -1.650 1.00 1.07 H new ATOM 1667 N SER A 105 -10.378 -3.822 -3.494 1.00 0.52 N ATOM 1668 CA SER A 105 -10.379 -4.907 -4.477 1.00 0.54 C ATOM 1669 C SER A 105 -11.438 -4.608 -5.548 1.00 0.86 C ATOM 1670 O SER A 105 -12.512 -4.097 -5.228 1.00 1.12 O ATOM 1671 CB SER A 105 -10.693 -6.236 -3.801 1.00 0.57 C ATOM 1672 OG SER A 105 -10.627 -7.331 -4.699 1.00 0.88 O ATOM 0 H SER A 105 -11.312 -3.437 -3.351 1.00 0.52 H new ATOM 0 HA SER A 105 -9.393 -4.977 -4.937 1.00 0.54 H new ATOM 0 HB2 SER A 105 -9.991 -6.398 -2.983 1.00 0.57 H new ATOM 0 HB3 SER A 105 -11.690 -6.190 -3.362 1.00 0.57 H new ATOM 0 HG SER A 105 -10.416 -8.149 -4.202 1.00 0.88 H new ATOM 1678 N GLY A 106 -11.170 -4.930 -6.811 1.00 0.85 N ATOM 1679 CA GLY A 106 -12.099 -4.685 -7.912 1.00 1.02 C ATOM 1680 C GLY A 106 -11.970 -5.720 -9.013 1.00 0.98 C ATOM 1681 O GLY A 106 -11.484 -6.833 -8.799 1.00 1.01 O ATOM 0 H GLY A 106 -10.297 -5.371 -7.101 1.00 0.85 H new ATOM 0 HA2 GLY A 106 -13.120 -4.688 -7.531 1.00 1.02 H new ATOM 0 HA3 GLY A 106 -11.916 -3.693 -8.325 1.00 1.02 H new ATOM 1685 N SER A 107 -12.405 -5.345 -10.207 1.00 0.91 N ATOM 1686 CA SER A 107 -12.266 -6.175 -11.403 1.00 0.97 C ATOM 1687 C SER A 107 -10.777 -6.354 -11.778 1.00 1.10 C ATOM 1688 O SER A 107 -9.967 -5.449 -11.525 1.00 1.10 O ATOM 1689 CB SER A 107 -13.089 -5.574 -12.548 1.00 1.17 C ATOM 1690 OG SER A 107 -14.409 -5.291 -12.115 1.00 2.01 O ATOM 0 H SER A 107 -12.867 -4.452 -10.378 1.00 0.91 H new ATOM 0 HA SER A 107 -12.657 -7.172 -11.200 1.00 0.97 H new ATOM 0 HB2 SER A 107 -12.613 -4.661 -12.905 1.00 1.17 H new ATOM 0 HB3 SER A 107 -13.116 -6.268 -13.388 1.00 1.17 H new ATOM 0 HG SER A 107 -14.921 -4.906 -12.857 1.00 2.01 H new ATOM 1696 N PRO A 108 -10.371 -7.511 -12.341 1.00 1.05 N ATOM 1697 CA PRO A 108 -8.958 -7.867 -12.485 1.00 1.18 C ATOM 1698 C PRO A 108 -8.191 -6.946 -13.442 1.00 1.41 C ATOM 1699 O PRO A 108 -6.970 -6.885 -13.355 1.00 1.34 O ATOM 1700 CB PRO A 108 -8.942 -9.331 -12.939 1.00 1.44 C ATOM 1701 CG PRO A 108 -10.296 -9.520 -13.616 1.00 1.44 C ATOM 1702 CD PRO A 108 -11.216 -8.598 -12.818 1.00 1.19 C ATOM 0 HA PRO A 108 -8.434 -7.739 -11.538 1.00 1.18 H new ATOM 0 HB2 PRO A 108 -8.120 -9.527 -13.628 1.00 1.44 H new ATOM 0 HB3 PRO A 108 -8.819 -10.010 -12.095 1.00 1.44 H new ATOM 0 HG2 PRO A 108 -10.262 -9.242 -14.669 1.00 1.44 H new ATOM 0 HG3 PRO A 108 -10.628 -10.557 -13.571 1.00 1.44 H new ATOM 0 HD2 PRO A 108 -12.026 -8.219 -13.441 1.00 1.19 H new ATOM 0 HD3 PRO A 108 -11.676 -9.130 -11.985 1.00 1.19 H new ATOM 1710 N GLU A 109 -8.893 -6.215 -14.312 1.00 1.11 N ATOM 1711 CA GLU A 109 -8.378 -5.135 -15.160 1.00 1.12 C ATOM 1712 C GLU A 109 -8.046 -3.901 -14.310 1.00 1.23 C ATOM 1713 O GLU A 109 -6.932 -3.388 -14.361 1.00 1.48 O ATOM 1714 CB GLU A 109 -9.403 -4.730 -16.246 1.00 1.21 C ATOM 1715 CG GLU A 109 -10.111 -5.879 -16.988 1.00 1.45 C ATOM 1716 CD GLU A 109 -11.126 -6.637 -16.122 1.00 2.11 C ATOM 1717 OE1 GLU A 109 -11.534 -6.106 -15.059 1.00 2.91 O ATOM 1718 OE2 GLU A 109 -11.423 -7.796 -16.467 1.00 3.10 O ATOM 0 H GLU A 109 -9.892 -6.369 -14.452 1.00 1.11 H new ATOM 0 HA GLU A 109 -7.476 -5.507 -15.646 1.00 1.12 H new ATOM 0 HB2 GLU A 109 -10.165 -4.105 -15.780 1.00 1.21 H new ATOM 0 HB3 GLU A 109 -8.891 -4.112 -16.984 1.00 1.21 H new ATOM 0 HG2 GLU A 109 -10.622 -5.475 -17.862 1.00 1.45 H new ATOM 0 HG3 GLU A 109 -9.361 -6.581 -17.353 1.00 1.45 H new ATOM 1725 N ALA A 110 -8.985 -3.442 -13.478 1.00 0.90 N ATOM 1726 CA ALA A 110 -8.774 -2.320 -12.556 1.00 0.80 C ATOM 1727 C ALA A 110 -7.599 -2.606 -11.608 1.00 0.96 C ATOM 1728 O ALA A 110 -6.660 -1.810 -11.511 1.00 1.01 O ATOM 1729 CB ALA A 110 -10.089 -2.054 -11.809 1.00 0.81 C ATOM 0 H ALA A 110 -9.922 -3.842 -13.424 1.00 0.90 H new ATOM 0 HA ALA A 110 -8.501 -1.420 -13.106 1.00 0.80 H new ATOM 0 HB1 ALA A 110 -9.953 -1.222 -11.118 1.00 0.81 H new ATOM 0 HB2 ALA A 110 -10.871 -1.805 -12.526 1.00 0.81 H new ATOM 0 HB3 ALA A 110 -10.378 -2.945 -11.252 1.00 0.81 H new ATOM 1735 N VAL A 111 -7.593 -3.799 -11.002 1.00 0.72 N ATOM 1736 CA VAL A 111 -6.459 -4.274 -10.184 1.00 0.70 C ATOM 1737 C VAL A 111 -5.156 -4.386 -11.002 1.00 1.10 C ATOM 1738 O VAL A 111 -4.088 -4.048 -10.487 1.00 0.97 O ATOM 1739 CB VAL A 111 -6.796 -5.602 -9.467 1.00 0.69 C ATOM 1740 CG1 VAL A 111 -5.659 -6.046 -8.531 1.00 1.19 C ATOM 1741 CG2 VAL A 111 -8.061 -5.475 -8.598 1.00 1.03 C ATOM 0 H VAL A 111 -8.366 -4.462 -11.061 1.00 0.72 H new ATOM 0 HA VAL A 111 -6.284 -3.520 -9.417 1.00 0.70 H new ATOM 0 HB VAL A 111 -6.948 -6.333 -10.261 1.00 0.69 H new ATOM 0 HG11 VAL A 111 -5.932 -6.983 -8.045 1.00 1.19 H new ATOM 0 HG12 VAL A 111 -4.747 -6.190 -9.110 1.00 1.19 H new ATOM 0 HG13 VAL A 111 -5.491 -5.280 -7.774 1.00 1.19 H new ATOM 0 HG21 VAL A 111 -8.265 -6.428 -8.111 1.00 1.03 H new ATOM 0 HG22 VAL A 111 -7.907 -4.706 -7.841 1.00 1.03 H new ATOM 0 HG23 VAL A 111 -8.908 -5.200 -9.227 1.00 1.03 H new ATOM 1751 N ARG A 112 -5.222 -4.782 -12.288 1.00 0.82 N ATOM 1752 CA ARG A 112 -4.061 -4.796 -13.191 1.00 0.89 C ATOM 1753 C ARG A 112 -3.489 -3.393 -13.376 1.00 1.23 C ATOM 1754 O ARG A 112 -2.270 -3.235 -13.281 1.00 1.37 O ATOM 1755 CB ARG A 112 -4.377 -5.428 -14.545 1.00 0.93 C ATOM 1756 CG ARG A 112 -3.085 -5.490 -15.374 1.00 1.72 C ATOM 1757 CD ARG A 112 -3.392 -6.098 -16.730 1.00 2.03 C ATOM 1758 NE ARG A 112 -2.218 -6.016 -17.627 1.00 3.06 N ATOM 1759 CZ ARG A 112 -1.749 -4.894 -18.166 1.00 4.22 C ATOM 1760 NH1 ARG A 112 -2.396 -3.751 -18.097 1.00 4.98 N ATOM 1761 NH2 ARG A 112 -0.584 -4.898 -18.783 1.00 5.37 N ATOM 0 H ARG A 112 -6.085 -5.101 -12.728 1.00 0.82 H new ATOM 0 HA ARG A 112 -3.307 -5.421 -12.713 1.00 0.89 H new ATOM 0 HB2 ARG A 112 -4.786 -6.429 -14.408 1.00 0.93 H new ATOM 0 HB3 ARG A 112 -5.134 -4.843 -15.068 1.00 0.93 H new ATOM 0 HG2 ARG A 112 -2.669 -4.490 -15.496 1.00 1.72 H new ATOM 0 HG3 ARG A 112 -2.334 -6.087 -14.856 1.00 1.72 H new ATOM 0 HD2 ARG A 112 -3.688 -7.140 -16.607 1.00 2.03 H new ATOM 0 HD3 ARG A 112 -4.237 -5.578 -17.182 1.00 2.03 H new ATOM 0 HE ARG A 112 -1.732 -6.885 -17.849 1.00 3.06 H new ATOM 0 HH11 ARG A 112 -3.294 -3.702 -17.616 1.00 4.98 H new ATOM 0 HH12 ARG A 112 -2.000 -2.914 -18.525 1.00 4.98 H new ATOM 0 HH21 ARG A 112 -0.044 -5.761 -18.847 1.00 5.37 H new ATOM 0 HH22 ARG A 112 -0.223 -4.038 -19.197 1.00 5.37 H new ATOM 1775 N GLU A 113 -4.318 -2.380 -13.626 1.00 0.96 N ATOM 1776 CA GLU A 113 -3.781 -1.043 -13.900 1.00 1.09 C ATOM 1777 C GLU A 113 -3.107 -0.436 -12.667 1.00 1.27 C ATOM 1778 O GLU A 113 -2.020 0.126 -12.775 1.00 1.33 O ATOM 1779 CB GLU A 113 -4.816 -0.122 -14.536 1.00 1.32 C ATOM 1780 CG GLU A 113 -5.377 -0.711 -15.838 1.00 1.72 C ATOM 1781 CD GLU A 113 -4.388 -1.556 -16.660 1.00 3.09 C ATOM 1782 OE1 GLU A 113 -3.349 -1.010 -17.096 1.00 3.64 O ATOM 1783 OE2 GLU A 113 -4.597 -2.783 -16.807 1.00 4.38 O ATOM 0 H GLU A 113 -5.335 -2.452 -13.645 1.00 0.96 H new ATOM 0 HA GLU A 113 -2.996 -1.159 -14.647 1.00 1.09 H new ATOM 0 HB2 GLU A 113 -5.631 0.049 -13.833 1.00 1.32 H new ATOM 0 HB3 GLU A 113 -4.363 0.848 -14.741 1.00 1.32 H new ATOM 0 HG2 GLU A 113 -6.241 -1.329 -15.595 1.00 1.72 H new ATOM 0 HG3 GLU A 113 -5.736 0.107 -16.462 1.00 1.72 H new ATOM 1790 N ALA A 114 -3.668 -0.656 -11.473 1.00 0.77 N ATOM 1791 CA ALA A 114 -3.009 -0.281 -10.223 1.00 0.73 C ATOM 1792 C ALA A 114 -1.666 -0.990 -10.023 1.00 1.02 C ATOM 1793 O ALA A 114 -0.702 -0.374 -9.568 1.00 1.15 O ATOM 1794 CB ALA A 114 -3.982 -0.566 -9.079 1.00 0.68 C ATOM 0 H ALA A 114 -4.581 -1.094 -11.349 1.00 0.77 H new ATOM 0 HA ALA A 114 -2.762 0.780 -10.251 1.00 0.73 H new ATOM 0 HB1 ALA A 114 -3.518 -0.296 -8.131 1.00 0.68 H new ATOM 0 HB2 ALA A 114 -4.890 0.021 -9.219 1.00 0.68 H new ATOM 0 HB3 ALA A 114 -4.233 -1.627 -9.071 1.00 0.68 H new ATOM 1800 N ALA A 115 -1.584 -2.270 -10.374 1.00 0.73 N ATOM 1801 CA ALA A 115 -0.343 -3.023 -10.308 1.00 0.77 C ATOM 1802 C ALA A 115 0.704 -2.499 -11.300 1.00 1.01 C ATOM 1803 O ALA A 115 1.857 -2.321 -10.905 1.00 1.10 O ATOM 1804 CB ALA A 115 -0.678 -4.484 -10.570 1.00 0.80 C ATOM 0 H ALA A 115 -2.379 -2.812 -10.712 1.00 0.73 H new ATOM 0 HA ALA A 115 0.105 -2.908 -9.321 1.00 0.77 H new ATOM 0 HB1 ALA A 115 0.234 -5.080 -10.528 1.00 0.80 H new ATOM 0 HB2 ALA A 115 -1.378 -4.838 -9.813 1.00 0.80 H new ATOM 0 HB3 ALA A 115 -1.130 -4.582 -11.557 1.00 0.80 H new ATOM 1810 N GLN A 116 0.316 -2.227 -12.557 1.00 0.87 N ATOM 1811 CA GLN A 116 1.219 -1.671 -13.575 1.00 1.03 C ATOM 1812 C GLN A 116 1.914 -0.411 -13.061 1.00 1.62 C ATOM 1813 O GLN A 116 3.128 -0.300 -13.206 1.00 1.84 O ATOM 1814 CB GLN A 116 0.485 -1.300 -14.881 1.00 1.28 C ATOM 1815 CG GLN A 116 0.035 -2.469 -15.768 1.00 1.33 C ATOM 1816 CD GLN A 116 0.125 -2.104 -17.254 1.00 2.27 C ATOM 1817 OE1 GLN A 116 0.928 -2.639 -18.005 1.00 3.03 O ATOM 1818 NE2 GLN A 116 -0.710 -1.237 -17.779 1.00 3.27 N ATOM 0 H GLN A 116 -0.633 -2.387 -12.895 1.00 0.87 H new ATOM 0 HA GLN A 116 1.945 -2.456 -13.784 1.00 1.03 H new ATOM 0 HB2 GLN A 116 -0.394 -0.709 -14.623 1.00 1.28 H new ATOM 0 HB3 GLN A 116 1.139 -0.657 -15.470 1.00 1.28 H new ATOM 0 HG2 GLN A 116 0.656 -3.342 -15.567 1.00 1.33 H new ATOM 0 HG3 GLN A 116 -0.990 -2.744 -15.520 1.00 1.33 H new ATOM 0 HE21 GLN A 116 -1.396 -0.768 -17.188 1.00 3.27 H new ATOM 0 HE22 GLN A 116 -0.672 -1.033 -18.778 1.00 3.27 H new ATOM 1827 N THR A 117 1.145 0.496 -12.443 1.00 1.28 N ATOM 1828 CA THR A 117 1.610 1.838 -12.042 1.00 1.47 C ATOM 1829 C THR A 117 2.744 1.771 -11.026 1.00 1.70 C ATOM 1830 O THR A 117 3.744 2.476 -11.143 1.00 1.79 O ATOM 1831 CB THR A 117 0.426 2.653 -11.504 1.00 1.62 C ATOM 1832 OG1 THR A 117 -0.402 2.968 -12.596 1.00 1.73 O ATOM 1833 CG2 THR A 117 0.838 3.973 -10.852 1.00 2.04 C ATOM 0 H THR A 117 0.170 0.319 -12.203 1.00 1.28 H new ATOM 0 HA THR A 117 2.015 2.337 -12.923 1.00 1.47 H new ATOM 0 HB THR A 117 -0.066 2.048 -10.742 1.00 1.62 H new ATOM 0 HG1 THR A 117 -1.040 3.664 -12.333 1.00 1.73 H new ATOM 0 HG21 THR A 117 -0.050 4.495 -10.495 1.00 2.04 H new ATOM 0 HG22 THR A 117 1.503 3.772 -10.012 1.00 2.04 H new ATOM 0 HG23 THR A 117 1.355 4.594 -11.583 1.00 2.04 H new ATOM 1841 N PHE A 118 2.551 0.957 -9.992 1.00 1.38 N ATOM 1842 CA PHE A 118 3.546 0.696 -8.953 1.00 1.46 C ATOM 1843 C PHE A 118 4.677 -0.279 -9.349 1.00 2.18 C ATOM 1844 O PHE A 118 5.678 -0.352 -8.639 1.00 2.65 O ATOM 1845 CB PHE A 118 2.795 0.345 -7.665 1.00 1.35 C ATOM 1846 CG PHE A 118 2.096 1.556 -7.072 1.00 1.34 C ATOM 1847 CD1 PHE A 118 2.839 2.535 -6.391 1.00 2.55 C ATOM 1848 CD2 PHE A 118 0.717 1.749 -7.253 1.00 1.80 C ATOM 1849 CE1 PHE A 118 2.211 3.684 -5.877 1.00 2.45 C ATOM 1850 CE2 PHE A 118 0.089 2.891 -6.738 1.00 1.81 C ATOM 1851 CZ PHE A 118 0.832 3.865 -6.054 1.00 1.38 C ATOM 0 H PHE A 118 1.679 0.448 -9.849 1.00 1.38 H new ATOM 0 HA PHE A 118 4.129 1.602 -8.786 1.00 1.46 H new ATOM 0 HB2 PHE A 118 2.060 -0.433 -7.873 1.00 1.35 H new ATOM 0 HB3 PHE A 118 3.495 -0.064 -6.936 1.00 1.35 H new ATOM 0 HD1 PHE A 118 3.903 2.404 -6.261 1.00 2.55 H new ATOM 0 HD2 PHE A 118 0.138 1.014 -7.792 1.00 1.80 H new ATOM 0 HE1 PHE A 118 2.790 4.426 -5.347 1.00 2.45 H new ATOM 0 HE2 PHE A 118 -0.975 3.022 -6.869 1.00 1.81 H new ATOM 0 HZ PHE A 118 0.345 4.748 -5.667 1.00 1.38 H new ATOM 1861 N GLY A 119 4.519 -1.057 -10.434 1.00 1.30 N ATOM 1862 CA GLY A 119 5.457 -2.113 -10.867 1.00 1.28 C ATOM 1863 C GLY A 119 5.193 -3.479 -10.237 1.00 1.27 C ATOM 1864 O GLY A 119 6.087 -4.323 -10.204 1.00 1.33 O ATOM 0 H GLY A 119 3.713 -0.968 -11.053 1.00 1.30 H new ATOM 0 HA2 GLY A 119 5.404 -2.209 -11.951 1.00 1.28 H new ATOM 0 HA3 GLY A 119 6.473 -1.803 -10.624 1.00 1.28 H new ATOM 1868 N VAL A 120 3.985 -3.694 -9.725 1.00 1.04 N ATOM 1869 CA VAL A 120 3.534 -4.936 -9.073 1.00 0.95 C ATOM 1870 C VAL A 120 2.986 -5.897 -10.136 1.00 0.95 C ATOM 1871 O VAL A 120 2.571 -5.474 -11.217 1.00 1.11 O ATOM 1872 CB VAL A 120 2.489 -4.625 -7.970 1.00 1.00 C ATOM 1873 CG1 VAL A 120 1.917 -5.871 -7.269 1.00 1.24 C ATOM 1874 CG2 VAL A 120 3.105 -3.713 -6.897 1.00 1.46 C ATOM 0 H VAL A 120 3.256 -2.981 -9.750 1.00 1.04 H new ATOM 0 HA VAL A 120 4.377 -5.421 -8.580 1.00 0.95 H new ATOM 0 HB VAL A 120 1.664 -4.137 -8.489 1.00 1.00 H new ATOM 0 HG11 VAL A 120 1.195 -5.564 -6.513 1.00 1.24 H new ATOM 0 HG12 VAL A 120 1.424 -6.508 -8.004 1.00 1.24 H new ATOM 0 HG13 VAL A 120 2.727 -6.425 -6.793 1.00 1.24 H new ATOM 0 HG21 VAL A 120 2.362 -3.502 -6.128 1.00 1.46 H new ATOM 0 HG22 VAL A 120 3.963 -4.211 -6.445 1.00 1.46 H new ATOM 0 HG23 VAL A 120 3.428 -2.778 -7.356 1.00 1.46 H new ATOM 1884 N PHE A 121 2.970 -7.199 -9.838 1.00 1.07 N ATOM 1885 CA PHE A 121 2.478 -8.235 -10.740 1.00 1.06 C ATOM 1886 C PHE A 121 1.975 -9.466 -9.973 1.00 1.84 C ATOM 1887 O PHE A 121 2.454 -9.783 -8.881 1.00 1.88 O ATOM 1888 CB PHE A 121 3.570 -8.577 -11.771 1.00 1.07 C ATOM 1889 CG PHE A 121 4.914 -8.975 -11.183 1.00 1.07 C ATOM 1890 CD1 PHE A 121 5.167 -10.324 -10.869 1.00 2.62 C ATOM 1891 CD2 PHE A 121 5.913 -8.003 -10.963 1.00 1.55 C ATOM 1892 CE1 PHE A 121 6.415 -10.709 -10.351 1.00 2.59 C ATOM 1893 CE2 PHE A 121 7.165 -8.394 -10.455 1.00 1.47 C ATOM 1894 CZ PHE A 121 7.418 -9.744 -10.158 1.00 1.43 C ATOM 0 H PHE A 121 3.305 -7.565 -8.947 1.00 1.07 H new ATOM 0 HA PHE A 121 1.611 -7.856 -11.281 1.00 1.06 H new ATOM 0 HB2 PHE A 121 3.211 -9.392 -12.400 1.00 1.07 H new ATOM 0 HB3 PHE A 121 3.717 -7.714 -12.421 1.00 1.07 H new ATOM 0 HD1 PHE A 121 4.398 -11.066 -11.027 1.00 2.62 H new ATOM 0 HD2 PHE A 121 5.717 -6.964 -11.184 1.00 1.55 H new ATOM 0 HE1 PHE A 121 6.603 -11.743 -10.102 1.00 2.59 H new ATOM 0 HE2 PHE A 121 7.935 -7.654 -10.293 1.00 1.47 H new ATOM 0 HZ PHE A 121 8.385 -10.041 -9.781 1.00 1.43 H new ATOM 1904 N TYR A 122 0.985 -10.137 -10.562 1.00 0.97 N ATOM 1905 CA TYR A 122 0.396 -11.392 -10.092 1.00 0.94 C ATOM 1906 C TYR A 122 0.026 -12.316 -11.269 1.00 1.22 C ATOM 1907 O TYR A 122 -0.373 -11.858 -12.343 1.00 1.31 O ATOM 1908 CB TYR A 122 -0.810 -11.109 -9.178 1.00 1.04 C ATOM 1909 CG TYR A 122 -1.869 -10.198 -9.775 1.00 1.06 C ATOM 1910 CD1 TYR A 122 -2.898 -10.725 -10.583 1.00 1.91 C ATOM 1911 CD2 TYR A 122 -1.809 -8.811 -9.534 1.00 2.24 C ATOM 1912 CE1 TYR A 122 -3.865 -9.872 -11.148 1.00 1.80 C ATOM 1913 CE2 TYR A 122 -2.767 -7.953 -10.103 1.00 2.51 C ATOM 1914 CZ TYR A 122 -3.803 -8.482 -10.902 1.00 1.51 C ATOM 1915 OH TYR A 122 -4.729 -7.642 -11.431 1.00 1.93 O ATOM 0 H TYR A 122 0.550 -9.804 -11.422 1.00 0.97 H new ATOM 0 HA TYR A 122 1.143 -11.923 -9.502 1.00 0.94 H new ATOM 0 HB2 TYR A 122 -1.276 -12.058 -8.913 1.00 1.04 H new ATOM 0 HB3 TYR A 122 -0.448 -10.662 -8.252 1.00 1.04 H new ATOM 0 HD1 TYR A 122 -2.944 -11.788 -10.769 1.00 1.91 H new ATOM 0 HD2 TYR A 122 -1.025 -8.406 -8.911 1.00 2.24 H new ATOM 0 HE1 TYR A 122 -4.651 -10.278 -11.767 1.00 1.80 H new ATOM 0 HE2 TYR A 122 -2.710 -6.889 -9.928 1.00 2.51 H new ATOM 0 HH TYR A 122 -5.581 -8.116 -11.532 1.00 1.93 H new ATOM 1925 N GLN A 123 0.141 -13.625 -11.057 1.00 1.00 N ATOM 1926 CA GLN A 123 -0.115 -14.699 -12.007 1.00 1.09 C ATOM 1927 C GLN A 123 -0.778 -15.854 -11.246 1.00 1.30 C ATOM 1928 O GLN A 123 -0.324 -16.226 -10.171 1.00 1.48 O ATOM 1929 CB GLN A 123 1.240 -15.117 -12.611 1.00 1.20 C ATOM 1930 CG GLN A 123 1.229 -16.452 -13.379 1.00 2.50 C ATOM 1931 CD GLN A 123 2.575 -16.784 -14.031 1.00 2.85 C ATOM 1932 OE1 GLN A 123 2.645 -17.142 -15.195 1.00 3.56 O ATOM 1933 NE2 GLN A 123 3.686 -16.695 -13.328 1.00 3.16 N ATOM 0 H GLN A 123 0.437 -13.986 -10.150 1.00 1.00 H new ATOM 0 HA GLN A 123 -0.780 -14.393 -12.815 1.00 1.09 H new ATOM 0 HB2 GLN A 123 1.578 -14.330 -13.286 1.00 1.20 H new ATOM 0 HB3 GLN A 123 1.973 -15.184 -11.807 1.00 1.20 H new ATOM 0 HG2 GLN A 123 0.956 -17.255 -12.695 1.00 2.50 H new ATOM 0 HG3 GLN A 123 0.459 -16.414 -14.149 1.00 2.50 H new ATOM 0 HE21 GLN A 123 3.650 -16.398 -12.353 1.00 3.16 H new ATOM 0 HE22 GLN A 123 4.582 -16.923 -13.759 1.00 3.16 H new ATOM 1942 N LYS A 124 -1.815 -16.484 -11.805 1.00 1.25 N ATOM 1943 CA LYS A 124 -2.409 -17.675 -11.178 1.00 1.32 C ATOM 1944 C LYS A 124 -1.812 -18.937 -11.815 1.00 1.36 C ATOM 1945 O LYS A 124 -1.734 -19.070 -13.036 1.00 1.72 O ATOM 1946 CB LYS A 124 -3.949 -17.608 -11.223 1.00 1.53 C ATOM 1947 CG LYS A 124 -4.435 -16.412 -10.382 1.00 2.03 C ATOM 1948 CD LYS A 124 -5.929 -16.453 -10.034 1.00 2.32 C ATOM 1949 CE LYS A 124 -6.212 -15.295 -9.064 1.00 3.37 C ATOM 1950 NZ LYS A 124 -7.590 -15.308 -8.537 1.00 3.81 N ATOM 0 H LYS A 124 -2.258 -16.197 -12.678 1.00 1.25 H new ATOM 0 HA LYS A 124 -2.158 -17.712 -10.118 1.00 1.32 H new ATOM 0 HB2 LYS A 124 -4.289 -17.504 -12.253 1.00 1.53 H new ATOM 0 HB3 LYS A 124 -4.376 -18.534 -10.838 1.00 1.53 H new ATOM 0 HG2 LYS A 124 -3.859 -16.375 -9.457 1.00 2.03 H new ATOM 0 HG3 LYS A 124 -4.225 -15.491 -10.926 1.00 2.03 H new ATOM 0 HD2 LYS A 124 -6.535 -16.355 -10.935 1.00 2.32 H new ATOM 0 HD3 LYS A 124 -6.190 -17.408 -9.577 1.00 2.32 H new ATOM 0 HE2 LYS A 124 -5.510 -15.346 -8.232 1.00 3.37 H new ATOM 0 HE3 LYS A 124 -6.033 -14.349 -9.575 1.00 3.37 H new ATOM 0 HZ1 LYS A 124 -7.641 -14.717 -7.683 1.00 3.81 H new ATOM 0 HZ2 LYS A 124 -8.240 -14.933 -9.257 1.00 3.81 H new ATOM 0 HZ3 LYS A 124 -7.862 -16.283 -8.299 1.00 3.81 H new ATOM 2120 N VAL A 135 -1.278 -19.049 -6.251 1.00 1.42 N ATOM 2121 CA VAL A 135 -1.007 -17.700 -6.775 1.00 1.24 C ATOM 2122 C VAL A 135 0.479 -17.360 -6.626 1.00 1.64 C ATOM 2123 O VAL A 135 1.070 -17.569 -5.570 1.00 1.78 O ATOM 2124 CB VAL A 135 -1.892 -16.627 -6.100 1.00 1.42 C ATOM 2125 CG1 VAL A 135 -1.693 -15.232 -6.717 1.00 2.07 C ATOM 2126 CG2 VAL A 135 -3.374 -17.021 -6.249 1.00 2.48 C ATOM 0 HA VAL A 135 -1.262 -17.700 -7.835 1.00 1.24 H new ATOM 0 HB VAL A 135 -1.600 -16.579 -5.051 1.00 1.42 H new ATOM 0 HG11 VAL A 135 -2.337 -14.514 -6.209 1.00 2.07 H new ATOM 0 HG12 VAL A 135 -0.652 -14.929 -6.604 1.00 2.07 H new ATOM 0 HG13 VAL A 135 -1.949 -15.263 -7.776 1.00 2.07 H new ATOM 0 HG21 VAL A 135 -4.001 -16.266 -5.774 1.00 2.48 H new ATOM 0 HG22 VAL A 135 -3.628 -17.090 -7.307 1.00 2.48 H new ATOM 0 HG23 VAL A 135 -3.544 -17.986 -5.772 1.00 2.48 H new ATOM 2136 N ASP A 136 1.049 -16.818 -7.701 1.00 1.29 N ATOM 2137 CA ASP A 136 2.329 -16.115 -7.751 1.00 1.37 C ATOM 2138 C ASP A 136 2.034 -14.607 -7.723 1.00 1.28 C ATOM 2139 O ASP A 136 1.290 -14.091 -8.556 1.00 1.35 O ATOM 2140 CB ASP A 136 3.045 -16.546 -9.046 1.00 1.70 C ATOM 2141 CG ASP A 136 4.138 -15.607 -9.567 1.00 2.76 C ATOM 2142 OD1 ASP A 136 4.817 -14.953 -8.744 1.00 3.36 O ATOM 2143 OD2 ASP A 136 4.284 -15.574 -10.812 1.00 4.03 O ATOM 0 H ASP A 136 0.601 -16.861 -8.617 1.00 1.29 H new ATOM 0 HA ASP A 136 2.976 -16.351 -6.906 1.00 1.37 H new ATOM 0 HB2 ASP A 136 3.489 -17.528 -8.880 1.00 1.70 H new ATOM 0 HB3 ASP A 136 2.295 -16.664 -9.828 1.00 1.70 H new ATOM 2148 N HIS A 137 2.555 -13.901 -6.726 1.00 1.21 N ATOM 2149 CA HIS A 137 2.437 -12.448 -6.641 1.00 1.14 C ATOM 2150 C HIS A 137 3.649 -11.753 -5.997 1.00 1.42 C ATOM 2151 O HIS A 137 4.303 -12.284 -5.095 1.00 1.62 O ATOM 2152 CB HIS A 137 1.105 -12.060 -5.971 1.00 1.31 C ATOM 2153 CG HIS A 137 1.032 -12.319 -4.486 1.00 1.55 C ATOM 2154 ND1 HIS A 137 1.527 -11.492 -3.507 1.00 2.11 N ATOM 2155 CD2 HIS A 137 0.376 -13.341 -3.853 1.00 2.21 C ATOM 2156 CE1 HIS A 137 1.180 -12.005 -2.314 1.00 2.47 C ATOM 2157 NE2 HIS A 137 0.468 -13.131 -2.471 1.00 2.38 N ATOM 0 H HIS A 137 3.072 -14.319 -5.952 1.00 1.21 H new ATOM 0 HA HIS A 137 2.432 -12.073 -7.664 1.00 1.14 H new ATOM 0 HB2 HIS A 137 0.923 -11.000 -6.148 1.00 1.31 H new ATOM 0 HB3 HIS A 137 0.299 -12.607 -6.459 1.00 1.31 H new ATOM 0 HD1 HIS A 137 2.064 -10.638 -3.659 1.00 2.11 H new ATOM 0 HD2 HIS A 137 -0.126 -14.166 -4.336 1.00 2.21 H new ATOM 0 HE1 HIS A 137 1.439 -11.570 -1.360 1.00 2.47 H new ATOM 2166 N THR A 138 3.868 -10.493 -6.393 1.00 1.05 N ATOM 2167 CA THR A 138 4.719 -9.538 -5.675 1.00 1.09 C ATOM 2168 C THR A 138 3.976 -9.001 -4.448 1.00 1.59 C ATOM 2169 O THR A 138 2.746 -8.967 -4.420 1.00 2.90 O ATOM 2170 CB THR A 138 5.160 -8.445 -6.658 1.00 1.09 C ATOM 2171 OG1 THR A 138 6.172 -9.004 -7.450 1.00 1.81 O ATOM 2172 CG2 THR A 138 5.753 -7.185 -6.029 1.00 1.31 C ATOM 0 H THR A 138 3.450 -10.102 -7.238 1.00 1.05 H new ATOM 0 HA THR A 138 5.621 -10.016 -5.293 1.00 1.09 H new ATOM 0 HB THR A 138 4.261 -8.132 -7.190 1.00 1.09 H new ATOM 0 HG1 THR A 138 6.122 -8.631 -8.355 1.00 1.81 H new ATOM 0 HG21 THR A 138 6.029 -6.482 -6.815 1.00 1.31 H new ATOM 0 HG22 THR A 138 5.015 -6.724 -5.373 1.00 1.31 H new ATOM 0 HG23 THR A 138 6.638 -7.449 -5.451 1.00 1.31 H new ATOM 2180 N ALA A 139 4.713 -8.576 -3.419 1.00 0.62 N ATOM 2181 CA ALA A 139 4.192 -7.782 -2.307 1.00 0.70 C ATOM 2182 C ALA A 139 5.172 -6.634 -2.008 1.00 0.77 C ATOM 2183 O ALA A 139 6.374 -6.864 -1.825 1.00 1.40 O ATOM 2184 CB ALA A 139 3.945 -8.688 -1.093 1.00 1.27 C ATOM 0 H ALA A 139 5.709 -8.779 -3.335 1.00 0.62 H new ATOM 0 HA ALA A 139 3.232 -7.335 -2.566 1.00 0.70 H new ATOM 0 HB1 ALA A 139 3.557 -8.092 -0.267 1.00 1.27 H new ATOM 0 HB2 ALA A 139 3.221 -9.459 -1.356 1.00 1.27 H new ATOM 0 HB3 ALA A 139 4.882 -9.157 -0.793 1.00 1.27 H new ATOM 2190 N THR A 140 4.695 -5.385 -2.080 1.00 0.82 N ATOM 2191 CA THR A 140 5.547 -4.177 -2.006 1.00 0.75 C ATOM 2192 C THR A 140 4.805 -3.036 -1.319 1.00 0.99 C ATOM 2193 O THR A 140 3.571 -3.012 -1.321 1.00 1.37 O ATOM 2194 CB THR A 140 6.065 -3.794 -3.404 1.00 0.80 C ATOM 2195 OG1 THR A 140 6.545 -4.951 -4.036 1.00 1.16 O ATOM 2196 CG2 THR A 140 7.233 -2.813 -3.432 1.00 0.76 C ATOM 0 H THR A 140 3.703 -5.176 -2.192 1.00 0.82 H new ATOM 0 HA THR A 140 6.422 -4.395 -1.394 1.00 0.75 H new ATOM 0 HB THR A 140 5.213 -3.318 -3.890 1.00 0.80 H new ATOM 0 HG1 THR A 140 6.877 -4.722 -4.929 1.00 1.16 H new ATOM 0 HG21 THR A 140 7.516 -2.614 -4.466 1.00 0.76 H new ATOM 0 HG22 THR A 140 6.937 -1.881 -2.951 1.00 0.76 H new ATOM 0 HG23 THR A 140 8.082 -3.242 -2.900 1.00 0.76 H new ATOM 2204 N THR A 141 5.559 -2.094 -0.748 1.00 0.73 N ATOM 2205 CA THR A 141 5.073 -0.886 -0.083 1.00 0.85 C ATOM 2206 C THR A 141 5.606 0.335 -0.822 1.00 1.09 C ATOM 2207 O THR A 141 6.743 0.350 -1.298 1.00 1.04 O ATOM 2208 CB THR A 141 5.514 -0.892 1.382 1.00 0.90 C ATOM 2209 OG1 THR A 141 5.003 -2.044 2.010 1.00 1.20 O ATOM 2210 CG2 THR A 141 5.019 0.322 2.164 1.00 1.47 C ATOM 0 H THR A 141 6.577 -2.158 -0.737 1.00 0.73 H new ATOM 0 HA THR A 141 3.984 -0.854 -0.103 1.00 0.85 H new ATOM 0 HB THR A 141 6.604 -0.871 1.381 1.00 0.90 H new ATOM 0 HG1 THR A 141 5.283 -2.056 2.949 1.00 1.20 H new ATOM 0 HG21 THR A 141 5.366 0.257 3.195 1.00 1.47 H new ATOM 0 HG22 THR A 141 5.408 1.232 1.707 1.00 1.47 H new ATOM 0 HG23 THR A 141 3.929 0.345 2.149 1.00 1.47 H new ATOM 2218 N PHE A 142 4.766 1.363 -0.922 1.00 1.14 N ATOM 2219 CA PHE A 142 4.986 2.523 -1.778 1.00 1.14 C ATOM 2220 C PHE A 142 4.622 3.810 -1.041 1.00 2.20 C ATOM 2221 O PHE A 142 3.514 3.940 -0.511 1.00 2.51 O ATOM 2222 CB PHE A 142 4.114 2.372 -3.026 1.00 1.18 C ATOM 2223 CG PHE A 142 4.391 1.104 -3.799 1.00 1.21 C ATOM 2224 CD1 PHE A 142 5.504 1.057 -4.651 1.00 2.10 C ATOM 2225 CD2 PHE A 142 3.568 -0.025 -3.648 1.00 2.54 C ATOM 2226 CE1 PHE A 142 5.785 -0.109 -5.379 1.00 2.05 C ATOM 2227 CE2 PHE A 142 3.849 -1.194 -4.376 1.00 2.41 C ATOM 2228 CZ PHE A 142 4.956 -1.230 -5.243 1.00 1.21 C ATOM 0 H PHE A 142 3.893 1.412 -0.397 1.00 1.14 H new ATOM 0 HA PHE A 142 6.038 2.579 -2.057 1.00 1.14 H new ATOM 0 HB2 PHE A 142 3.065 2.388 -2.732 1.00 1.18 H new ATOM 0 HB3 PHE A 142 4.275 3.230 -3.679 1.00 1.18 H new ATOM 0 HD1 PHE A 142 6.146 1.920 -4.747 1.00 2.10 H new ATOM 0 HD2 PHE A 142 2.723 0.005 -2.976 1.00 2.54 H new ATOM 0 HE1 PHE A 142 6.637 -0.142 -6.042 1.00 2.05 H new ATOM 0 HE2 PHE A 142 3.216 -2.063 -4.270 1.00 2.41 H new ATOM 0 HZ PHE A 142 5.168 -2.126 -5.807 1.00 1.21 H new ATOM 2238 N VAL A 143 5.543 4.776 -1.049 1.00 1.13 N ATOM 2239 CA VAL A 143 5.354 6.059 -0.352 1.00 1.17 C ATOM 2240 C VAL A 143 5.028 7.144 -1.359 1.00 1.22 C ATOM 2241 O VAL A 143 5.839 7.513 -2.208 1.00 1.34 O ATOM 2242 CB VAL A 143 6.549 6.479 0.518 1.00 1.14 C ATOM 2243 CG1 VAL A 143 6.188 7.734 1.332 1.00 1.23 C ATOM 2244 CG2 VAL A 143 6.905 5.352 1.492 1.00 1.35 C ATOM 0 H VAL A 143 6.437 4.696 -1.534 1.00 1.13 H new ATOM 0 HA VAL A 143 4.521 5.917 0.337 1.00 1.17 H new ATOM 0 HB VAL A 143 7.397 6.690 -0.133 1.00 1.14 H new ATOM 0 HG11 VAL A 143 7.039 8.026 1.947 1.00 1.23 H new ATOM 0 HG12 VAL A 143 5.934 8.548 0.653 1.00 1.23 H new ATOM 0 HG13 VAL A 143 5.334 7.518 1.974 1.00 1.23 H new ATOM 0 HG21 VAL A 143 7.753 5.656 2.106 1.00 1.35 H new ATOM 0 HG22 VAL A 143 6.049 5.142 2.134 1.00 1.35 H new ATOM 0 HG23 VAL A 143 7.167 4.455 0.931 1.00 1.35 H new ATOM 2254 N VAL A 144 3.804 7.635 -1.235 1.00 1.14 N ATOM 2255 CA VAL A 144 3.204 8.656 -2.103 1.00 1.12 C ATOM 2256 C VAL A 144 3.059 9.989 -1.354 1.00 1.44 C ATOM 2257 O VAL A 144 2.644 9.994 -0.199 1.00 1.58 O ATOM 2258 CB VAL A 144 1.842 8.151 -2.652 1.00 1.38 C ATOM 2259 CG1 VAL A 144 0.952 9.230 -3.300 1.00 2.09 C ATOM 2260 CG2 VAL A 144 2.074 7.027 -3.675 1.00 1.67 C ATOM 0 H VAL A 144 3.170 7.325 -0.499 1.00 1.14 H new ATOM 0 HA VAL A 144 3.863 8.835 -2.952 1.00 1.12 H new ATOM 0 HB VAL A 144 1.301 7.798 -1.774 1.00 1.38 H new ATOM 0 HG11 VAL A 144 0.026 8.775 -3.651 1.00 2.09 H new ATOM 0 HG12 VAL A 144 0.722 10.001 -2.565 1.00 2.09 H new ATOM 0 HG13 VAL A 144 1.478 9.677 -4.143 1.00 2.09 H new ATOM 0 HG21 VAL A 144 1.114 6.678 -4.056 1.00 1.67 H new ATOM 0 HG22 VAL A 144 2.676 7.405 -4.501 1.00 1.67 H new ATOM 0 HG23 VAL A 144 2.596 6.200 -3.194 1.00 1.67 H new ATOM 2270 N LYS A 145 3.330 11.113 -2.031 1.00 0.99 N ATOM 2271 CA LYS A 145 2.854 12.457 -1.665 1.00 1.00 C ATOM 2272 C LYS A 145 2.494 13.302 -2.906 1.00 1.08 C ATOM 2273 O LYS A 145 3.138 13.156 -3.942 1.00 1.27 O ATOM 2274 CB LYS A 145 3.890 13.184 -0.787 1.00 1.20 C ATOM 2275 CG LYS A 145 3.265 14.422 -0.107 1.00 1.46 C ATOM 2276 CD LYS A 145 4.222 15.125 0.854 1.00 1.72 C ATOM 2277 CE LYS A 145 5.187 16.065 0.123 1.00 1.74 C ATOM 2278 NZ LYS A 145 6.047 16.795 1.080 1.00 2.07 N ATOM 0 H LYS A 145 3.904 11.114 -2.874 1.00 0.99 H new ATOM 0 HA LYS A 145 1.939 12.330 -1.086 1.00 1.00 H new ATOM 0 HB2 LYS A 145 4.272 12.501 -0.028 1.00 1.20 H new ATOM 0 HB3 LYS A 145 4.740 13.490 -1.398 1.00 1.20 H new ATOM 0 HG2 LYS A 145 2.946 15.128 -0.874 1.00 1.46 H new ATOM 0 HG3 LYS A 145 2.371 14.118 0.438 1.00 1.46 H new ATOM 0 HD2 LYS A 145 3.648 15.693 1.586 1.00 1.72 H new ATOM 0 HD3 LYS A 145 4.793 14.379 1.407 1.00 1.72 H new ATOM 0 HE2 LYS A 145 5.808 15.491 -0.564 1.00 1.74 H new ATOM 0 HE3 LYS A 145 4.621 16.777 -0.478 1.00 1.74 H new ATOM 0 HZ1 LYS A 145 6.556 17.553 0.581 1.00 2.07 H new ATOM 0 HZ2 LYS A 145 5.458 17.209 1.830 1.00 2.07 H new ATOM 0 HZ3 LYS A 145 6.733 16.137 1.502 1.00 2.07 H new ATOM 2292 N GLU A 146 1.496 14.188 -2.812 1.00 1.12 N ATOM 2293 CA GLU A 146 1.242 15.269 -3.791 1.00 1.28 C ATOM 2294 C GLU A 146 0.598 14.727 -5.096 1.00 1.48 C ATOM 2295 O GLU A 146 0.660 15.358 -6.152 1.00 1.75 O ATOM 2296 CB GLU A 146 2.535 16.090 -4.053 1.00 1.40 C ATOM 2297 CG GLU A 146 2.295 17.600 -4.226 1.00 1.69 C ATOM 2298 CD GLU A 146 3.509 18.335 -4.820 1.00 1.97 C ATOM 2299 OE1 GLU A 146 4.644 17.820 -4.714 1.00 2.02 O ATOM 2300 OE2 GLU A 146 3.299 19.325 -5.560 1.00 2.84 O ATOM 0 H GLU A 146 0.826 14.180 -2.043 1.00 1.12 H new ATOM 0 HA GLU A 146 0.511 15.953 -3.360 1.00 1.28 H new ATOM 0 HB2 GLU A 146 3.225 15.935 -3.224 1.00 1.40 H new ATOM 0 HB3 GLU A 146 3.022 15.705 -4.949 1.00 1.40 H new ATOM 0 HG2 GLU A 146 1.431 17.754 -4.873 1.00 1.69 H new ATOM 0 HG3 GLU A 146 2.050 18.037 -3.258 1.00 1.69 H new ATOM 2307 N GLY A 147 0.069 13.489 -5.048 1.00 1.32 N ATOM 2308 CA GLY A 147 -0.369 12.688 -6.207 1.00 1.36 C ATOM 2309 C GLY A 147 0.753 11.854 -6.842 1.00 1.32 C ATOM 2310 O GLY A 147 0.640 11.449 -8.001 1.00 1.37 O ATOM 0 H GLY A 147 -0.070 13.000 -4.164 1.00 1.32 H new ATOM 0 HA2 GLY A 147 -1.172 12.021 -5.894 1.00 1.36 H new ATOM 0 HA3 GLY A 147 -0.785 13.355 -6.962 1.00 1.36 H new ATOM 2314 N ARG A 148 1.879 11.668 -6.140 1.00 1.35 N ATOM 2315 CA ARG A 148 3.154 11.273 -6.757 1.00 1.31 C ATOM 2316 C ARG A 148 3.952 10.280 -5.918 1.00 1.50 C ATOM 2317 O ARG A 148 3.885 10.297 -4.696 1.00 1.70 O ATOM 2318 CB ARG A 148 4.021 12.514 -7.023 1.00 1.67 C ATOM 2319 CG ARG A 148 3.211 13.717 -7.495 1.00 1.93 C ATOM 2320 CD ARG A 148 4.051 14.854 -8.038 1.00 2.13 C ATOM 2321 NE ARG A 148 3.131 15.973 -8.293 1.00 2.78 N ATOM 2322 CZ ARG A 148 3.291 17.216 -7.874 1.00 3.21 C ATOM 2323 NH1 ARG A 148 4.462 17.739 -7.586 1.00 3.52 N ATOM 2324 NH2 ARG A 148 2.229 17.959 -7.659 1.00 3.90 N ATOM 0 H ARG A 148 1.932 11.787 -5.128 1.00 1.35 H new ATOM 0 HA ARG A 148 2.896 10.774 -7.691 1.00 1.31 H new ATOM 0 HB2 ARG A 148 4.556 12.779 -6.111 1.00 1.67 H new ATOM 0 HB3 ARG A 148 4.772 12.271 -7.775 1.00 1.67 H new ATOM 0 HG2 ARG A 148 2.515 13.392 -8.269 1.00 1.93 H new ATOM 0 HG3 ARG A 148 2.612 14.087 -6.663 1.00 1.93 H new ATOM 0 HD2 ARG A 148 4.822 15.142 -7.323 1.00 2.13 H new ATOM 0 HD3 ARG A 148 4.561 14.556 -8.954 1.00 2.13 H new ATOM 0 HE ARG A 148 2.295 15.772 -8.842 1.00 2.78 H new ATOM 0 HH11 ARG A 148 5.309 17.178 -7.682 1.00 3.52 H new ATOM 0 HH12 ARG A 148 4.524 18.706 -7.266 1.00 3.52 H new ATOM 0 HH21 ARG A 148 1.297 17.574 -7.816 1.00 3.90 H new ATOM 0 HH22 ARG A 148 2.336 18.920 -7.335 1.00 3.90 H new ATOM 2338 N LEU A 149 4.765 9.456 -6.573 1.00 1.09 N ATOM 2339 CA LEU A 149 5.587 8.426 -5.926 1.00 1.02 C ATOM 2340 C LEU A 149 6.945 9.021 -5.562 1.00 1.25 C ATOM 2341 O LEU A 149 7.636 9.539 -6.442 1.00 1.50 O ATOM 2342 CB LEU A 149 5.756 7.187 -6.836 1.00 1.05 C ATOM 2343 CG LEU A 149 5.509 5.842 -6.118 1.00 1.29 C ATOM 2344 CD1 LEU A 149 5.695 4.670 -7.084 1.00 1.40 C ATOM 2345 CD2 LEU A 149 6.439 5.590 -4.926 1.00 2.63 C ATOM 0 H LEU A 149 4.876 9.482 -7.587 1.00 1.09 H new ATOM 0 HA LEU A 149 5.083 8.093 -5.019 1.00 1.02 H new ATOM 0 HB2 LEU A 149 5.068 7.270 -7.677 1.00 1.05 H new ATOM 0 HB3 LEU A 149 6.765 7.187 -7.249 1.00 1.05 H new ATOM 0 HG LEU A 149 4.485 5.911 -5.751 1.00 1.29 H new ATOM 0 HD11 LEU A 149 5.516 3.733 -6.557 1.00 1.40 H new ATOM 0 HD12 LEU A 149 4.989 4.763 -7.909 1.00 1.40 H new ATOM 0 HD13 LEU A 149 6.713 4.678 -7.475 1.00 1.40 H new ATOM 0 HD21 LEU A 149 6.201 4.626 -4.477 1.00 2.63 H new ATOM 0 HD22 LEU A 149 7.474 5.586 -5.267 1.00 2.63 H new ATOM 0 HD23 LEU A 149 6.303 6.378 -4.186 1.00 2.63 H new ATOM 2357 N VAL A 150 7.330 8.937 -4.290 1.00 0.93 N ATOM 2358 CA VAL A 150 8.618 9.449 -3.777 1.00 0.91 C ATOM 2359 C VAL A 150 9.575 8.347 -3.290 1.00 1.09 C ATOM 2360 O VAL A 150 10.783 8.588 -3.216 1.00 1.22 O ATOM 2361 CB VAL A 150 8.396 10.508 -2.668 1.00 1.09 C ATOM 2362 CG1 VAL A 150 7.904 11.821 -3.291 1.00 1.59 C ATOM 2363 CG2 VAL A 150 7.387 10.094 -1.584 1.00 1.51 C ATOM 0 H VAL A 150 6.753 8.506 -3.568 1.00 0.93 H new ATOM 0 HA VAL A 150 9.107 9.921 -4.629 1.00 0.91 H new ATOM 0 HB VAL A 150 9.366 10.621 -2.183 1.00 1.09 H new ATOM 0 HG11 VAL A 150 7.750 12.561 -2.506 1.00 1.59 H new ATOM 0 HG12 VAL A 150 8.648 12.190 -3.997 1.00 1.59 H new ATOM 0 HG13 VAL A 150 6.964 11.646 -3.814 1.00 1.59 H new ATOM 0 HG21 VAL A 150 7.294 10.894 -0.849 1.00 1.51 H new ATOM 0 HG22 VAL A 150 6.416 9.908 -2.043 1.00 1.51 H new ATOM 0 HG23 VAL A 150 7.735 9.187 -1.090 1.00 1.51 H new ATOM 2373 N LEU A 151 9.069 7.135 -3.004 1.00 0.68 N ATOM 2374 CA LEU A 151 9.858 6.052 -2.397 1.00 0.60 C ATOM 2375 C LEU A 151 9.234 4.653 -2.520 1.00 1.03 C ATOM 2376 O LEU A 151 8.024 4.494 -2.325 1.00 1.27 O ATOM 2377 CB LEU A 151 10.126 6.426 -0.917 1.00 0.71 C ATOM 2378 CG LEU A 151 11.630 6.525 -0.641 1.00 0.93 C ATOM 2379 CD1 LEU A 151 11.972 7.498 0.474 1.00 1.13 C ATOM 2380 CD2 LEU A 151 12.227 5.160 -0.327 1.00 0.96 C ATOM 0 H LEU A 151 8.099 6.879 -3.188 1.00 0.68 H new ATOM 0 HA LEU A 151 10.790 5.971 -2.957 1.00 0.60 H new ATOM 0 HB2 LEU A 151 9.647 7.377 -0.686 1.00 0.71 H new ATOM 0 HB3 LEU A 151 9.681 5.677 -0.262 1.00 0.71 H new ATOM 0 HG LEU A 151 12.070 6.912 -1.560 1.00 0.93 H new ATOM 0 HD11 LEU A 151 13.052 7.521 0.619 1.00 1.13 H new ATOM 0 HD12 LEU A 151 11.621 8.495 0.208 1.00 1.13 H new ATOM 0 HD13 LEU A 151 11.489 7.178 1.397 1.00 1.13 H new ATOM 0 HD21 LEU A 151 13.295 5.265 -0.136 1.00 0.96 H new ATOM 0 HD22 LEU A 151 11.740 4.744 0.555 1.00 0.96 H new ATOM 0 HD23 LEU A 151 12.074 4.492 -1.175 1.00 0.96 H new ATOM 2392 N LEU A 152 10.065 3.641 -2.803 1.00 0.51 N ATOM 2393 CA LEU A 152 9.687 2.218 -2.798 1.00 0.50 C ATOM 2394 C LEU A 152 10.301 1.477 -1.603 1.00 1.05 C ATOM 2395 O LEU A 152 11.374 1.833 -1.110 1.00 1.11 O ATOM 2396 CB LEU A 152 10.120 1.485 -4.091 1.00 0.59 C ATOM 2397 CG LEU A 152 10.003 2.241 -5.424 1.00 0.68 C ATOM 2398 CD1 LEU A 152 10.611 1.388 -6.547 1.00 0.86 C ATOM 2399 CD2 LEU A 152 8.547 2.547 -5.769 1.00 1.07 C ATOM 0 H LEU A 152 11.044 3.791 -3.048 1.00 0.51 H new ATOM 0 HA LEU A 152 8.599 2.206 -2.729 1.00 0.50 H new ATOM 0 HB2 LEU A 152 11.160 1.181 -3.970 1.00 0.59 H new ATOM 0 HB3 LEU A 152 9.529 0.573 -4.172 1.00 0.59 H new ATOM 0 HG LEU A 152 10.539 3.185 -5.324 1.00 0.68 H new ATOM 0 HD11 LEU A 152 10.530 1.922 -7.494 1.00 0.86 H new ATOM 0 HD12 LEU A 152 11.661 1.194 -6.329 1.00 0.86 H new ATOM 0 HD13 LEU A 152 10.074 0.442 -6.616 1.00 0.86 H new ATOM 0 HD21 LEU A 152 8.503 3.082 -6.718 1.00 1.07 H new ATOM 0 HD22 LEU A 152 7.989 1.614 -5.852 1.00 1.07 H new ATOM 0 HD23 LEU A 152 8.109 3.163 -4.984 1.00 1.07 H new ATOM 2411 N TYR A 153 9.636 0.383 -1.217 1.00 0.66 N ATOM 2412 CA TYR A 153 10.018 -0.503 -0.123 1.00 0.73 C ATOM 2413 C TYR A 153 9.595 -1.966 -0.345 1.00 1.18 C ATOM 2414 O TYR A 153 8.428 -2.286 -0.554 1.00 1.44 O ATOM 2415 CB TYR A 153 9.361 -0.010 1.172 1.00 0.80 C ATOM 2416 CG TYR A 153 10.076 1.125 1.862 1.00 1.07 C ATOM 2417 CD1 TYR A 153 11.397 0.929 2.299 1.00 2.71 C ATOM 2418 CD2 TYR A 153 9.423 2.352 2.098 1.00 1.70 C ATOM 2419 CE1 TYR A 153 12.079 1.961 2.954 1.00 2.93 C ATOM 2420 CE2 TYR A 153 10.102 3.393 2.754 1.00 1.84 C ATOM 2421 CZ TYR A 153 11.437 3.196 3.172 1.00 1.72 C ATOM 2422 OH TYR A 153 12.117 4.197 3.779 1.00 2.20 O ATOM 0 H TYR A 153 8.780 0.082 -1.682 1.00 0.66 H new ATOM 0 HA TYR A 153 11.106 -0.479 -0.067 1.00 0.73 H new ATOM 0 HB2 TYR A 153 8.343 0.307 0.946 1.00 0.80 H new ATOM 0 HB3 TYR A 153 9.288 -0.848 1.866 1.00 0.80 H new ATOM 0 HD1 TYR A 153 11.886 -0.019 2.129 1.00 2.71 H new ATOM 0 HD2 TYR A 153 8.402 2.492 1.775 1.00 1.70 H new ATOM 0 HE1 TYR A 153 13.094 1.811 3.291 1.00 2.93 H new ATOM 0 HE2 TYR A 153 9.607 4.336 2.937 1.00 1.84 H new ATOM 0 HH TYR A 153 12.754 3.818 4.420 1.00 2.20 H new ATOM 2432 N SER A 154 10.538 -2.885 -0.151 1.00 1.06 N ATOM 2433 CA SER A 154 10.222 -4.261 0.255 1.00 0.90 C ATOM 2434 C SER A 154 9.676 -4.283 1.700 1.00 0.95 C ATOM 2435 O SER A 154 10.091 -3.426 2.496 1.00 1.15 O ATOM 2436 CB SER A 154 11.518 -5.074 0.172 1.00 1.07 C ATOM 2437 OG SER A 154 11.365 -6.378 0.684 1.00 2.51 O ATOM 0 H SER A 154 11.535 -2.704 -0.268 1.00 1.06 H new ATOM 0 HA SER A 154 9.458 -4.684 -0.398 1.00 0.90 H new ATOM 0 HB2 SER A 154 11.843 -5.130 -0.867 1.00 1.07 H new ATOM 0 HB3 SER A 154 12.304 -4.559 0.725 1.00 1.07 H new ATOM 0 HG SER A 154 12.042 -6.540 1.374 1.00 2.51 H new ATOM 2443 N PRO A 155 8.821 -5.257 2.082 1.00 0.69 N ATOM 2444 CA PRO A 155 8.487 -5.487 3.484 1.00 0.90 C ATOM 2445 C PRO A 155 9.745 -5.779 4.309 1.00 1.13 C ATOM 2446 O PRO A 155 9.889 -5.215 5.386 1.00 1.15 O ATOM 2447 CB PRO A 155 7.480 -6.642 3.502 1.00 1.08 C ATOM 2448 CG PRO A 155 7.744 -7.374 2.187 1.00 0.97 C ATOM 2449 CD PRO A 155 8.168 -6.253 1.240 1.00 0.78 C ATOM 0 HA PRO A 155 8.046 -4.603 3.945 1.00 0.90 H new ATOM 0 HB2 PRO A 155 7.635 -7.294 4.361 1.00 1.08 H new ATOM 0 HB3 PRO A 155 6.454 -6.278 3.559 1.00 1.08 H new ATOM 0 HG2 PRO A 155 8.525 -8.126 2.295 1.00 0.97 H new ATOM 0 HG3 PRO A 155 6.853 -7.889 1.827 1.00 0.97 H new ATOM 0 HD2 PRO A 155 8.847 -6.624 0.472 1.00 0.78 H new ATOM 0 HD3 PRO A 155 7.307 -5.828 0.725 1.00 0.78 H new ATOM 2457 N ASP A 156 10.726 -6.534 3.784 1.00 0.84 N ATOM 2458 CA ASP A 156 11.970 -6.830 4.521 1.00 1.03 C ATOM 2459 C ASP A 156 12.853 -5.579 4.760 1.00 1.25 C ATOM 2460 O ASP A 156 13.860 -5.636 5.463 1.00 1.70 O ATOM 2461 CB ASP A 156 12.738 -7.976 3.832 1.00 1.27 C ATOM 2462 CG ASP A 156 13.860 -7.494 2.912 1.00 1.52 C ATOM 2463 OD1 ASP A 156 13.583 -6.708 1.972 1.00 1.94 O ATOM 2464 OD2 ASP A 156 15.041 -7.796 3.181 1.00 2.63 O ATOM 0 H ASP A 156 10.683 -6.950 2.854 1.00 0.84 H new ATOM 0 HA ASP A 156 11.686 -7.164 5.519 1.00 1.03 H new ATOM 0 HB2 ASP A 156 13.161 -8.629 4.595 1.00 1.27 H new ATOM 0 HB3 ASP A 156 12.036 -8.576 3.252 1.00 1.27 H new ATOM 2469 N LYS A 157 12.482 -4.435 4.175 1.00 1.02 N ATOM 2470 CA LYS A 157 12.901 -3.114 4.621 1.00 1.09 C ATOM 2471 C LYS A 157 11.837 -2.501 5.553 1.00 1.35 C ATOM 2472 O LYS A 157 12.178 -2.123 6.675 1.00 1.58 O ATOM 2473 CB LYS A 157 13.170 -2.226 3.389 1.00 1.06 C ATOM 2474 CG LYS A 157 14.235 -2.722 2.392 1.00 1.43 C ATOM 2475 CD LYS A 157 15.675 -2.817 2.934 1.00 1.94 C ATOM 2476 CE LYS A 157 16.005 -4.126 3.668 1.00 2.55 C ATOM 2477 NZ LYS A 157 15.932 -5.316 2.785 1.00 3.14 N ATOM 0 H LYS A 157 11.868 -4.408 3.361 1.00 1.02 H new ATOM 0 HA LYS A 157 13.824 -3.190 5.196 1.00 1.09 H new ATOM 0 HB2 LYS A 157 12.231 -2.102 2.849 1.00 1.06 H new ATOM 0 HB3 LYS A 157 13.468 -1.239 3.741 1.00 1.06 H new ATOM 0 HG2 LYS A 157 13.937 -3.707 2.033 1.00 1.43 H new ATOM 0 HG3 LYS A 157 14.236 -2.055 1.530 1.00 1.43 H new ATOM 0 HD2 LYS A 157 16.369 -2.699 2.102 1.00 1.94 H new ATOM 0 HD3 LYS A 157 15.848 -1.983 3.614 1.00 1.94 H new ATOM 0 HE2 LYS A 157 17.006 -4.056 4.093 1.00 2.55 H new ATOM 0 HE3 LYS A 157 15.313 -4.254 4.501 1.00 2.55 H new ATOM 0 HZ1 LYS A 157 16.012 -6.180 3.359 1.00 3.14 H new ATOM 0 HZ2 LYS A 157 15.022 -5.319 2.281 1.00 3.14 H new ATOM 0 HZ3 LYS A 157 16.710 -5.285 2.095 1.00 3.14 H new ATOM 2491 N ALA A 158 10.581 -2.362 5.107 1.00 0.95 N ATOM 2492 CA ALA A 158 9.525 -1.567 5.755 1.00 1.03 C ATOM 2493 C ALA A 158 9.069 -2.053 7.142 1.00 1.09 C ATOM 2494 O ALA A 158 8.614 -1.244 7.952 1.00 1.12 O ATOM 2495 CB ALA A 158 8.327 -1.468 4.806 1.00 1.19 C ATOM 0 H ALA A 158 10.259 -2.817 4.253 1.00 0.95 H new ATOM 0 HA ALA A 158 9.970 -0.591 5.950 1.00 1.03 H new ATOM 0 HB1 ALA A 158 7.538 -0.881 5.276 1.00 1.19 H new ATOM 0 HB2 ALA A 158 8.636 -0.985 3.879 1.00 1.19 H new ATOM 0 HB3 ALA A 158 7.953 -2.468 4.586 1.00 1.19 H new ATOM 2501 N GLU A 159 9.224 -3.345 7.439 1.00 0.74 N ATOM 2502 CA GLU A 159 8.894 -3.887 8.760 1.00 0.71 C ATOM 2503 C GLU A 159 9.844 -3.357 9.858 1.00 1.09 C ATOM 2504 O GLU A 159 9.520 -3.418 11.043 1.00 1.32 O ATOM 2505 CB GLU A 159 8.742 -5.419 8.687 1.00 0.89 C ATOM 2506 CG GLU A 159 7.574 -5.772 7.740 1.00 1.33 C ATOM 2507 CD GLU A 159 7.156 -7.236 7.742 1.00 1.88 C ATOM 2508 OE1 GLU A 159 7.994 -8.111 8.035 1.00 2.28 O ATOM 2509 OE2 GLU A 159 5.969 -7.455 7.403 1.00 2.88 O ATOM 0 H GLU A 159 9.577 -4.038 6.780 1.00 0.74 H new ATOM 0 HA GLU A 159 7.918 -3.517 9.074 1.00 0.71 H new ATOM 0 HB2 GLU A 159 9.666 -5.871 8.327 1.00 0.89 H new ATOM 0 HB3 GLU A 159 8.555 -5.825 9.681 1.00 0.89 H new ATOM 0 HG2 GLU A 159 6.711 -5.164 8.012 1.00 1.33 H new ATOM 0 HG3 GLU A 159 7.854 -5.492 6.724 1.00 1.33 H new ATOM 2516 N ALA A 160 10.949 -2.689 9.486 1.00 0.81 N ATOM 2517 CA ALA A 160 11.631 -1.716 10.349 1.00 0.78 C ATOM 2518 C ALA A 160 10.927 -0.336 10.306 1.00 0.98 C ATOM 2519 O ALA A 160 11.434 0.615 9.701 1.00 1.01 O ATOM 2520 CB ALA A 160 13.121 -1.645 9.965 1.00 0.91 C ATOM 0 H ALA A 160 11.393 -2.810 8.576 1.00 0.81 H new ATOM 0 HA ALA A 160 11.573 -2.045 11.387 1.00 0.78 H new ATOM 0 HB1 ALA A 160 13.628 -0.923 10.605 1.00 0.91 H new ATOM 0 HB2 ALA A 160 13.577 -2.627 10.093 1.00 0.91 H new ATOM 0 HB3 ALA A 160 13.214 -1.335 8.924 1.00 0.91 H new ATOM 2526 N THR A 161 9.769 -0.215 10.977 1.00 0.89 N ATOM 2527 CA THR A 161 8.939 1.012 11.009 1.00 1.16 C ATOM 2528 C THR A 161 9.729 2.280 11.314 1.00 1.20 C ATOM 2529 O THR A 161 9.622 3.255 10.579 1.00 1.51 O ATOM 2530 CB THR A 161 7.799 0.877 12.019 1.00 1.50 C ATOM 2531 OG1 THR A 161 7.062 -0.278 11.729 1.00 1.68 O ATOM 2532 CG2 THR A 161 6.841 2.067 11.953 1.00 2.10 C ATOM 0 H THR A 161 9.372 -0.979 11.524 1.00 0.89 H new ATOM 0 HA THR A 161 8.539 1.114 10.000 1.00 1.16 H new ATOM 0 HB THR A 161 8.243 0.831 13.013 1.00 1.50 H new ATOM 0 HG1 THR A 161 6.276 -0.039 11.195 1.00 1.68 H new ATOM 0 HG21 THR A 161 6.045 1.934 12.685 1.00 2.10 H new ATOM 0 HG22 THR A 161 7.386 2.985 12.172 1.00 2.10 H new ATOM 0 HG23 THR A 161 6.408 2.131 10.955 1.00 2.10 H new ATOM 2540 N ASP A 162 10.555 2.287 12.359 1.00 0.94 N ATOM 2541 CA ASP A 162 11.379 3.450 12.722 1.00 1.00 C ATOM 2542 C ASP A 162 12.298 3.909 11.585 1.00 1.33 C ATOM 2543 O ASP A 162 12.501 5.106 11.398 1.00 1.42 O ATOM 2544 CB ASP A 162 12.192 3.131 13.988 1.00 1.12 C ATOM 2545 CG ASP A 162 11.397 3.471 15.248 1.00 1.48 C ATOM 2546 OD1 ASP A 162 10.225 3.041 15.352 1.00 2.50 O ATOM 2547 OD2 ASP A 162 11.876 4.289 16.069 1.00 2.50 O ATOM 0 H ASP A 162 10.675 1.488 12.982 1.00 0.94 H new ATOM 0 HA ASP A 162 10.703 4.282 12.919 1.00 1.00 H new ATOM 0 HB2 ASP A 162 12.460 2.074 13.996 1.00 1.12 H new ATOM 0 HB3 ASP A 162 13.124 3.696 13.978 1.00 1.12 H new ATOM 2552 N ARG A 163 12.791 2.968 10.769 1.00 1.04 N ATOM 2553 CA ARG A 163 13.507 3.303 9.543 1.00 1.17 C ATOM 2554 C ARG A 163 12.585 3.866 8.458 1.00 1.38 C ATOM 2555 O ARG A 163 12.962 4.858 7.842 1.00 1.67 O ATOM 2556 CB ARG A 163 14.326 2.106 9.040 1.00 1.27 C ATOM 2557 CG ARG A 163 15.345 1.539 10.041 1.00 1.42 C ATOM 2558 CD ARG A 163 16.235 2.576 10.738 1.00 1.58 C ATOM 2559 NE ARG A 163 16.643 3.693 9.858 1.00 2.10 N ATOM 2560 CZ ARG A 163 17.443 3.666 8.801 1.00 3.21 C ATOM 2561 NH1 ARG A 163 18.156 2.605 8.481 1.00 4.02 N ATOM 2562 NH2 ARG A 163 17.528 4.720 8.023 1.00 4.82 N ATOM 0 H ARG A 163 12.704 1.967 10.942 1.00 1.04 H new ATOM 0 HA ARG A 163 14.205 4.104 9.787 1.00 1.17 H new ATOM 0 HB2 ARG A 163 13.638 1.309 8.757 1.00 1.27 H new ATOM 0 HB3 ARG A 163 14.857 2.405 8.136 1.00 1.27 H new ATOM 0 HG2 ARG A 163 14.805 0.978 10.804 1.00 1.42 H new ATOM 0 HG3 ARG A 163 15.986 0.829 9.518 1.00 1.42 H new ATOM 0 HD2 ARG A 163 15.703 2.979 11.600 1.00 1.58 H new ATOM 0 HD3 ARG A 163 17.128 2.079 11.118 1.00 1.58 H new ATOM 0 HE ARG A 163 16.257 4.607 10.096 1.00 2.10 H new ATOM 0 HH11 ARG A 163 18.104 1.764 9.055 1.00 4.02 H new ATOM 0 HH12 ARG A 163 18.760 2.625 7.659 1.00 4.02 H new ATOM 0 HH21 ARG A 163 16.980 5.554 8.233 1.00 4.82 H new ATOM 0 HH22 ARG A 163 18.142 4.705 7.209 1.00 4.82 H new ATOM 2576 N VAL A 164 11.373 3.320 8.278 1.00 1.25 N ATOM 2577 CA VAL A 164 10.342 3.912 7.390 1.00 1.36 C ATOM 2578 C VAL A 164 10.083 5.362 7.794 1.00 1.68 C ATOM 2579 O VAL A 164 10.212 6.249 6.958 1.00 1.97 O ATOM 2580 CB VAL A 164 9.001 3.131 7.360 1.00 1.23 C ATOM 2581 CG1 VAL A 164 7.944 3.806 6.470 1.00 1.46 C ATOM 2582 CG2 VAL A 164 9.221 1.713 6.837 1.00 1.26 C ATOM 0 H VAL A 164 11.074 2.460 8.738 1.00 1.25 H new ATOM 0 HA VAL A 164 10.748 3.855 6.380 1.00 1.36 H new ATOM 0 HB VAL A 164 8.636 3.115 8.387 1.00 1.23 H new ATOM 0 HG11 VAL A 164 7.026 3.218 6.485 1.00 1.46 H new ATOM 0 HG12 VAL A 164 7.739 4.809 6.845 1.00 1.46 H new ATOM 0 HG13 VAL A 164 8.317 3.870 5.448 1.00 1.46 H new ATOM 0 HG21 VAL A 164 8.271 1.179 6.822 1.00 1.26 H new ATOM 0 HG22 VAL A 164 9.628 1.757 5.827 1.00 1.26 H new ATOM 0 HG23 VAL A 164 9.921 1.190 7.488 1.00 1.26 H new ATOM 2592 N VAL A 165 9.799 5.604 9.080 1.00 1.37 N ATOM 2593 CA VAL A 165 9.525 6.948 9.611 1.00 1.41 C ATOM 2594 C VAL A 165 10.698 7.895 9.341 1.00 1.63 C ATOM 2595 O VAL A 165 10.474 9.011 8.894 1.00 1.88 O ATOM 2596 CB VAL A 165 9.215 6.921 11.126 1.00 1.26 C ATOM 2597 CG1 VAL A 165 9.207 8.323 11.778 1.00 1.36 C ATOM 2598 CG2 VAL A 165 7.855 6.244 11.372 1.00 1.62 C ATOM 0 H VAL A 165 9.752 4.870 9.786 1.00 1.37 H new ATOM 0 HA VAL A 165 8.641 7.316 9.091 1.00 1.41 H new ATOM 0 HB VAL A 165 10.021 6.354 11.592 1.00 1.26 H new ATOM 0 HG11 VAL A 165 8.983 8.229 12.841 1.00 1.36 H new ATOM 0 HG12 VAL A 165 10.185 8.788 11.653 1.00 1.36 H new ATOM 0 HG13 VAL A 165 8.447 8.942 11.300 1.00 1.36 H new ATOM 0 HG21 VAL A 165 7.644 6.229 12.441 1.00 1.62 H new ATOM 0 HG22 VAL A 165 7.073 6.801 10.856 1.00 1.62 H new ATOM 0 HG23 VAL A 165 7.883 5.222 10.993 1.00 1.62 H new ATOM 2608 N ALA A 166 11.940 7.473 9.577 1.00 1.34 N ATOM 2609 CA ALA A 166 13.126 8.306 9.375 1.00 1.51 C ATOM 2610 C ALA A 166 13.425 8.647 7.905 1.00 1.84 C ATOM 2611 O ALA A 166 14.132 9.627 7.666 1.00 2.35 O ATOM 2612 CB ALA A 166 14.296 7.564 10.013 1.00 1.49 C ATOM 0 H ALA A 166 12.153 6.535 9.917 1.00 1.34 H new ATOM 0 HA ALA A 166 12.950 9.276 9.839 1.00 1.51 H new ATOM 0 HB1 ALA A 166 15.208 8.147 9.888 1.00 1.49 H new ATOM 0 HB2 ALA A 166 14.100 7.420 11.075 1.00 1.49 H new ATOM 0 HB3 ALA A 166 14.417 6.594 9.532 1.00 1.49 H new ATOM 2618 N ASP A 167 12.880 7.906 6.944 1.00 1.50 N ATOM 2619 CA ASP A 167 12.835 8.331 5.538 1.00 1.62 C ATOM 2620 C ASP A 167 11.607 9.223 5.253 1.00 1.80 C ATOM 2621 O ASP A 167 11.724 10.246 4.581 1.00 1.84 O ATOM 2622 CB ASP A 167 12.858 7.082 4.638 1.00 1.76 C ATOM 2623 CG ASP A 167 13.676 7.275 3.356 1.00 2.18 C ATOM 2624 OD1 ASP A 167 13.705 8.413 2.829 1.00 2.95 O ATOM 2625 OD2 ASP A 167 14.320 6.285 2.927 1.00 2.84 O ATOM 0 H ASP A 167 12.456 6.994 7.112 1.00 1.50 H new ATOM 0 HA ASP A 167 13.711 8.942 5.319 1.00 1.62 H new ATOM 0 HB2 ASP A 167 13.270 6.244 5.201 1.00 1.76 H new ATOM 0 HB3 ASP A 167 11.835 6.815 4.372 1.00 1.76 H new ATOM 2630 N LEU A 168 10.441 8.920 5.850 1.00 1.60 N ATOM 2631 CA LEU A 168 9.209 9.738 5.755 1.00 1.64 C ATOM 2632 C LEU A 168 9.389 11.159 6.304 1.00 1.96 C ATOM 2633 O LEU A 168 8.766 12.101 5.833 1.00 2.04 O ATOM 2634 CB LEU A 168 8.039 9.048 6.495 1.00 1.63 C ATOM 2635 CG LEU A 168 7.004 8.325 5.618 1.00 1.57 C ATOM 2636 CD1 LEU A 168 6.254 9.282 4.679 1.00 3.32 C ATOM 2637 CD2 LEU A 168 7.648 7.174 4.842 1.00 2.54 C ATOM 0 H LEU A 168 10.321 8.085 6.424 1.00 1.60 H new ATOM 0 HA LEU A 168 8.982 9.823 4.692 1.00 1.64 H new ATOM 0 HB2 LEU A 168 8.457 8.325 7.195 1.00 1.63 H new ATOM 0 HB3 LEU A 168 7.518 9.801 7.087 1.00 1.63 H new ATOM 0 HG LEU A 168 6.258 7.905 6.293 1.00 1.57 H new ATOM 0 HD11 LEU A 168 5.536 8.719 4.083 1.00 3.32 H new ATOM 0 HD12 LEU A 168 5.727 10.032 5.269 1.00 3.32 H new ATOM 0 HD13 LEU A 168 6.966 9.775 4.018 1.00 3.32 H new ATOM 0 HD21 LEU A 168 6.893 6.680 4.230 1.00 2.54 H new ATOM 0 HD22 LEU A 168 8.437 7.565 4.199 1.00 2.54 H new ATOM 0 HD23 LEU A 168 8.073 6.456 5.543 1.00 2.54 H new ATOM 2649 N GLN A 169 10.271 11.309 7.282 1.00 1.66 N ATOM 2650 CA GLN A 169 10.669 12.562 7.909 1.00 1.72 C ATOM 2651 C GLN A 169 11.342 13.518 6.904 1.00 1.91 C ATOM 2652 O GLN A 169 11.281 14.729 7.088 1.00 2.02 O ATOM 2653 CB GLN A 169 11.599 12.169 9.072 1.00 1.89 C ATOM 2654 CG GLN A 169 10.838 11.623 10.296 1.00 2.10 C ATOM 2655 CD GLN A 169 10.672 12.632 11.423 1.00 1.90 C ATOM 2656 OE1 GLN A 169 9.580 13.069 11.750 1.00 2.15 O ATOM 2657 NE2 GLN A 169 11.733 13.025 12.088 1.00 2.39 N ATOM 0 H GLN A 169 10.759 10.508 7.684 1.00 1.66 H new ATOM 0 HA GLN A 169 9.807 13.119 8.277 1.00 1.72 H new ATOM 0 HB2 GLN A 169 12.306 11.415 8.725 1.00 1.89 H new ATOM 0 HB3 GLN A 169 12.183 13.039 9.373 1.00 1.89 H new ATOM 0 HG2 GLN A 169 9.852 11.285 9.977 1.00 2.10 H new ATOM 0 HG3 GLN A 169 11.366 10.750 10.679 1.00 2.10 H new ATOM 0 HE21 GLN A 169 12.655 12.672 11.832 1.00 2.39 H new ATOM 0 HE22 GLN A 169 11.635 13.683 12.861 1.00 2.39 H new ATOM 2666 N ALA A 170 11.980 12.998 5.845 1.00 1.58 N ATOM 2667 CA ALA A 170 12.437 13.755 4.672 1.00 1.56 C ATOM 2668 C ALA A 170 11.354 14.125 3.640 1.00 1.53 C ATOM 2669 O ALA A 170 11.650 14.844 2.681 1.00 1.73 O ATOM 2670 CB ALA A 170 13.516 12.931 3.979 1.00 1.63 C ATOM 0 H ALA A 170 12.199 12.004 5.780 1.00 1.58 H new ATOM 0 HA ALA A 170 12.796 14.711 5.054 1.00 1.56 H new ATOM 0 HB1 ALA A 170 13.876 13.468 3.102 1.00 1.63 H new ATOM 0 HB2 ALA A 170 14.344 12.763 4.668 1.00 1.63 H new ATOM 0 HB3 ALA A 170 13.100 11.972 3.672 1.00 1.63 H new ATOM 2676 N LEU A 171 10.185 13.482 3.716 1.00 1.42 N ATOM 2677 CA LEU A 171 9.130 13.491 2.693 1.00 1.39 C ATOM 2678 C LEU A 171 7.896 14.297 3.096 1.00 1.64 C ATOM 2679 O LEU A 171 6.999 14.432 2.260 1.00 1.76 O ATOM 2680 CB LEU A 171 8.699 12.040 2.404 1.00 1.41 C ATOM 2681 CG LEU A 171 9.766 11.141 1.762 1.00 1.53 C ATOM 2682 CD1 LEU A 171 9.173 9.738 1.620 1.00 1.62 C ATOM 2683 CD2 LEU A 171 10.188 11.688 0.391 1.00 1.76 C ATOM 0 H LEU A 171 9.935 12.916 4.527 1.00 1.42 H new ATOM 0 HA LEU A 171 9.552 13.971 1.810 1.00 1.39 H new ATOM 0 HB2 LEU A 171 8.381 11.582 3.341 1.00 1.41 H new ATOM 0 HB3 LEU A 171 7.828 12.063 1.749 1.00 1.41 H new ATOM 0 HG LEU A 171 10.657 11.114 2.389 1.00 1.53 H new ATOM 0 HD11 LEU A 171 9.910 9.076 1.166 1.00 1.62 H new ATOM 0 HD12 LEU A 171 8.900 9.357 2.604 1.00 1.62 H new ATOM 0 HD13 LEU A 171 8.285 9.780 0.989 1.00 1.62 H new ATOM 0 HD21 LEU A 171 10.944 11.035 -0.044 1.00 1.76 H new ATOM 0 HD22 LEU A 171 9.320 11.728 -0.268 1.00 1.76 H new ATOM 0 HD23 LEU A 171 10.599 12.690 0.510 1.00 1.76 H new ATOM 2695 N LEU A 172 7.842 14.822 4.324 1.00 1.48 N ATOM 2696 CA LEU A 172 6.727 15.659 4.805 1.00 1.60 C ATOM 2697 C LEU A 172 6.535 16.927 3.954 1.00 2.13 C ATOM 2698 O LEU A 172 5.352 17.246 3.696 1.00 2.01 O ATOM 2699 CB LEU A 172 6.901 15.951 6.312 1.00 1.70 C ATOM 2700 CG LEU A 172 6.534 14.792 7.257 1.00 1.64 C ATOM 2701 CD1 LEU A 172 6.931 15.175 8.683 1.00 2.30 C ATOM 2702 CD2 LEU A 172 5.027 14.489 7.255 1.00 1.90 C ATOM 2703 OXT LEU A 172 7.512 17.434 3.362 1.00 3.20 O ATOM 0 H LEU A 172 8.573 14.680 5.021 1.00 1.48 H new ATOM 0 HA LEU A 172 5.798 15.103 4.684 1.00 1.60 H new ATOM 0 HB2 LEU A 172 7.939 16.230 6.493 1.00 1.70 H new ATOM 0 HB3 LEU A 172 6.289 16.815 6.570 1.00 1.70 H new ATOM 0 HG LEU A 172 7.064 13.906 6.908 1.00 1.64 H new ATOM 0 HD11 LEU A 172 6.676 14.362 9.363 1.00 2.30 H new ATOM 0 HD12 LEU A 172 8.004 15.360 8.725 1.00 2.30 H new ATOM 0 HD13 LEU A 172 6.396 16.077 8.980 1.00 2.30 H new ATOM 0 HD21 LEU A 172 4.821 13.664 7.937 1.00 1.90 H new ATOM 0 HD22 LEU A 172 4.478 15.373 7.578 1.00 1.90 H new ATOM 0 HD23 LEU A 172 4.712 14.214 6.248 1.00 1.90 H new