USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot -161:sc= -0.339 USER MOD Set 1.2: A 105 SER OG : rot 175:sc= 1.17 USER MOD Set 2.1: A 62 TYR OH : rot 42:sc= 0.444 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.368 K(o=0.12,f=-1.2) USER MOD Set 2.3: A 98 HIS :FLIP no HD1:sc= -0.69 F(o=-1.5,f=0.12) USER MOD Single : A 7 TYR OH : rot 34:sc= 0.0473 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.265 X(o=0.27,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.726) USER MOD Single : A 25 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 31 SER OG : rot -81:sc= 1.05 USER MOD Single : A 32 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.19) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.06) USER MOD Single : A 45 THR OG1 : rot -109:sc= 0.559 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.833 USER MOD Single : A 51 CYS SG : rot -83:sc= 0.522 USER MOD Single : A 53 THR OG1 : rot 95:sc= 0.945 USER MOD Single : A 54 THR OG1 : rot 52:sc= 1.34 USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= -0.3 (180deg=-0.347) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 1.2 (180deg=0.741) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 1.27 (180deg=0.806) USER MOD Single : A 74 GLN : amide:sc= -0.907 K(o=-0.91,f=-3.6) USER MOD Single : A 93 TYR OH : rot 150:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -127:sc= -0.804 (180deg=-2.31!) USER MOD Single : A 100 SER OG : rot -50:sc= 0.0103 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.86) USER MOD Single : A 117 THR OG1 : rot -162:sc= 1.25 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.955 X(o=-0.95,f=-1.3) USER MOD Single : A 124 LYS NZ :NH3+ -108:sc= -0.331 (180deg=-3.61!) USER MOD Single : A 137 HIS : no HE2:sc= 0.384 K(o=0.38,f=-1.5!) USER MOD Single : A 138 THR OG1 : rot 88:sc= 0.445 USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -170:sc= 1.02 (180deg=0.975) USER MOD Single : A 153 TYR OH : rot 144:sc= 1.22 USER MOD Single : A 154 SER OG : rot -116:sc= 1.04 USER MOD Single : A 157 LYS NZ :NH3+ -153:sc= 0.591 (180deg=0.145) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc=-0.00636 X(o=-0.0064,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.786 4.097 3.686 1.00 1.83 N ATOM 90 CA TYR A 7 17.214 2.980 2.825 1.00 2.20 C ATOM 91 C TYR A 7 16.155 2.502 1.811 1.00 2.00 C ATOM 92 O TYR A 7 16.316 1.454 1.175 1.00 2.21 O ATOM 93 CB TYR A 7 17.748 1.817 3.684 1.00 3.13 C ATOM 94 CG TYR A 7 16.753 0.951 4.452 1.00 2.19 C ATOM 95 CD1 TYR A 7 15.507 1.443 4.907 1.00 2.21 C ATOM 96 CD2 TYR A 7 17.111 -0.384 4.740 1.00 2.77 C ATOM 97 CE1 TYR A 7 14.675 0.640 5.701 1.00 2.62 C ATOM 98 CE2 TYR A 7 16.278 -1.191 5.535 1.00 2.46 C ATOM 99 CZ TYR A 7 15.094 -0.655 6.065 1.00 2.21 C ATOM 100 OH TYR A 7 14.344 -1.402 6.907 1.00 3.04 O ATOM 0 HA TYR A 7 18.021 3.372 2.206 1.00 2.20 H new ATOM 0 HB2 TYR A 7 18.321 1.160 3.030 1.00 3.13 H new ATOM 0 HB3 TYR A 7 18.448 2.236 4.407 1.00 3.13 H new ATOM 0 HD1 TYR A 7 15.195 2.442 4.642 1.00 2.21 H new ATOM 0 HD2 TYR A 7 18.032 -0.789 4.347 1.00 2.77 H new ATOM 0 HE1 TYR A 7 13.717 1.013 6.032 1.00 2.62 H new ATOM 0 HE2 TYR A 7 16.548 -2.217 5.737 1.00 2.46 H new ATOM 0 HH TYR A 7 13.395 -1.210 6.757 1.00 3.04 H new ATOM 110 N GLY A 8 15.060 3.248 1.645 1.00 1.45 N ATOM 111 CA GLY A 8 14.094 3.027 0.569 1.00 1.22 C ATOM 112 C GLY A 8 14.718 3.328 -0.795 1.00 1.35 C ATOM 113 O GLY A 8 15.798 3.918 -0.879 1.00 1.68 O ATOM 0 H GLY A 8 14.818 4.027 2.258 1.00 1.45 H new ATOM 0 HA2 GLY A 8 13.746 1.995 0.594 1.00 1.22 H new ATOM 0 HA3 GLY A 8 13.221 3.662 0.722 1.00 1.22 H new ATOM 117 N THR A 9 14.063 2.913 -1.884 1.00 1.15 N ATOM 118 CA THR A 9 14.530 3.200 -3.250 1.00 1.24 C ATOM 119 C THR A 9 14.135 4.632 -3.593 1.00 1.27 C ATOM 120 O THR A 9 13.062 4.893 -4.142 1.00 1.23 O ATOM 121 CB THR A 9 13.966 2.209 -4.258 1.00 1.36 C ATOM 122 OG1 THR A 9 14.090 0.888 -3.772 1.00 1.51 O ATOM 123 CG2 THR A 9 14.683 2.290 -5.606 1.00 1.60 C ATOM 0 H THR A 9 13.199 2.372 -1.848 1.00 1.15 H new ATOM 0 HA THR A 9 15.614 3.093 -3.297 1.00 1.24 H new ATOM 0 HB THR A 9 12.917 2.470 -4.399 1.00 1.36 H new ATOM 0 HG1 THR A 9 13.722 0.262 -4.430 1.00 1.51 H new ATOM 0 HG21 THR A 9 14.247 1.565 -6.294 1.00 1.60 H new ATOM 0 HG22 THR A 9 14.572 3.293 -6.018 1.00 1.60 H new ATOM 0 HG23 THR A 9 15.742 2.069 -5.469 1.00 1.60 H new ATOM 131 N ARG A 10 14.984 5.565 -3.172 1.00 1.03 N ATOM 132 CA ARG A 10 14.784 7.003 -3.298 1.00 0.98 C ATOM 133 C ARG A 10 14.838 7.417 -4.768 1.00 1.38 C ATOM 134 O ARG A 10 15.790 7.107 -5.483 1.00 1.62 O ATOM 135 CB ARG A 10 15.824 7.725 -2.437 1.00 1.16 C ATOM 136 CG ARG A 10 15.522 9.209 -2.201 1.00 1.45 C ATOM 137 CD ARG A 10 14.488 9.437 -1.089 1.00 2.01 C ATOM 138 NE ARG A 10 14.240 10.872 -0.879 1.00 2.43 N ATOM 139 CZ ARG A 10 13.432 11.384 0.047 1.00 3.70 C ATOM 140 NH1 ARG A 10 12.857 10.650 0.972 1.00 4.93 N ATOM 141 NH2 ARG A 10 13.202 12.680 0.039 1.00 4.20 N ATOM 0 H ARG A 10 15.865 5.329 -2.716 1.00 1.03 H new ATOM 0 HA ARG A 10 13.796 7.286 -2.935 1.00 0.98 H new ATOM 0 HB2 ARG A 10 15.894 7.222 -1.473 1.00 1.16 H new ATOM 0 HB3 ARG A 10 16.800 7.636 -2.914 1.00 1.16 H new ATOM 0 HG2 ARG A 10 16.446 9.726 -1.943 1.00 1.45 H new ATOM 0 HG3 ARG A 10 15.156 9.652 -3.127 1.00 1.45 H new ATOM 0 HD2 ARG A 10 13.554 8.938 -1.349 1.00 2.01 H new ATOM 0 HD3 ARG A 10 14.842 8.987 -0.162 1.00 2.01 H new ATOM 0 HE ARG A 10 14.726 11.527 -1.492 1.00 2.43 H new ATOM 0 HH11 ARG A 10 13.022 9.644 1.001 1.00 4.93 H new ATOM 0 HH12 ARG A 10 12.245 11.086 1.662 1.00 4.93 H new ATOM 0 HH21 ARG A 10 13.640 13.271 -0.668 1.00 4.20 H new ATOM 0 HH22 ARG A 10 12.586 13.093 0.739 1.00 4.20 H new ATOM 155 N LEU A 11 13.789 8.103 -5.209 1.00 0.96 N ATOM 156 CA LEU A 11 13.602 8.487 -6.608 1.00 1.03 C ATOM 157 C LEU A 11 14.145 9.900 -6.851 1.00 1.52 C ATOM 158 O LEU A 11 14.102 10.755 -5.967 1.00 2.04 O ATOM 159 CB LEU A 11 12.124 8.313 -7.017 1.00 0.90 C ATOM 160 CG LEU A 11 11.581 6.873 -6.841 1.00 0.93 C ATOM 161 CD1 LEU A 11 10.115 6.802 -7.287 1.00 0.93 C ATOM 162 CD2 LEU A 11 12.391 5.826 -7.627 1.00 1.12 C ATOM 0 H LEU A 11 13.033 8.413 -4.598 1.00 0.96 H new ATOM 0 HA LEU A 11 14.178 7.825 -7.254 1.00 1.03 H new ATOM 0 HB2 LEU A 11 11.513 8.995 -6.426 1.00 0.90 H new ATOM 0 HB3 LEU A 11 12.011 8.607 -8.060 1.00 0.90 H new ATOM 0 HG LEU A 11 11.673 6.637 -5.781 1.00 0.93 H new ATOM 0 HD11 LEU A 11 9.744 5.785 -7.159 1.00 0.93 H new ATOM 0 HD12 LEU A 11 9.517 7.485 -6.683 1.00 0.93 H new ATOM 0 HD13 LEU A 11 10.040 7.086 -8.337 1.00 0.93 H new ATOM 0 HD21 LEU A 11 11.963 4.837 -7.464 1.00 1.12 H new ATOM 0 HD22 LEU A 11 12.359 6.064 -8.690 1.00 1.12 H new ATOM 0 HD23 LEU A 11 13.426 5.834 -7.284 1.00 1.12 H new ATOM 174 N LEU A 12 14.691 10.131 -8.049 1.00 1.28 N ATOM 175 CA LEU A 12 15.362 11.385 -8.430 1.00 1.39 C ATOM 176 C LEU A 12 14.387 12.411 -9.028 1.00 1.80 C ATOM 177 O LEU A 12 14.543 13.612 -8.819 1.00 2.25 O ATOM 178 CB LEU A 12 16.505 11.083 -9.417 1.00 1.67 C ATOM 179 CG LEU A 12 17.800 10.567 -8.751 1.00 1.87 C ATOM 180 CD1 LEU A 12 17.675 9.153 -8.159 1.00 2.98 C ATOM 181 CD2 LEU A 12 18.924 10.585 -9.792 1.00 3.34 C ATOM 0 H LEU A 12 14.680 9.439 -8.799 1.00 1.28 H new ATOM 0 HA LEU A 12 15.771 11.832 -7.524 1.00 1.39 H new ATOM 0 HB2 LEU A 12 16.161 10.341 -10.138 1.00 1.67 H new ATOM 0 HB3 LEU A 12 16.735 11.989 -9.977 1.00 1.67 H new ATOM 0 HG LEU A 12 18.015 11.230 -7.913 1.00 1.87 H new ATOM 0 HD11 LEU A 12 18.624 8.861 -7.710 1.00 2.98 H new ATOM 0 HD12 LEU A 12 16.895 9.145 -7.397 1.00 2.98 H new ATOM 0 HD13 LEU A 12 17.417 8.449 -8.950 1.00 2.98 H new ATOM 0 HD21 LEU A 12 19.846 10.223 -9.338 1.00 3.34 H new ATOM 0 HD22 LEU A 12 18.655 9.941 -10.629 1.00 3.34 H new ATOM 0 HD23 LEU A 12 19.071 11.604 -10.151 1.00 3.34 H new ATOM 193 N ASN A 13 13.373 11.946 -9.760 1.00 1.64 N ATOM 194 CA ASN A 13 12.212 12.728 -10.190 1.00 2.02 C ATOM 195 C ASN A 13 10.925 11.998 -9.753 1.00 1.89 C ATOM 196 O ASN A 13 10.906 10.763 -9.804 1.00 2.02 O ATOM 197 CB ASN A 13 12.207 12.875 -11.723 1.00 2.58 C ATOM 198 CG ASN A 13 13.294 13.761 -12.330 1.00 3.20 C ATOM 199 OD1 ASN A 13 13.379 13.872 -13.542 1.00 3.70 O ATOM 200 ND2 ASN A 13 14.134 14.434 -11.566 1.00 4.58 N ATOM 0 H ASN A 13 13.336 10.979 -10.082 1.00 1.64 H new ATOM 0 HA ASN A 13 12.260 13.718 -9.736 1.00 2.02 H new ATOM 0 HB2 ASN A 13 12.295 11.881 -12.161 1.00 2.58 H new ATOM 0 HB3 ASN A 13 11.237 13.271 -12.024 1.00 2.58 H new ATOM 0 HD21 ASN A 13 14.840 15.035 -11.991 1.00 4.58 H new ATOM 0 HD22 ASN A 13 14.077 14.353 -10.551 1.00 4.58 H new ATOM 207 N PRO A 14 9.858 12.720 -9.350 1.00 1.77 N ATOM 208 CA PRO A 14 8.601 12.107 -8.948 1.00 1.62 C ATOM 209 C PRO A 14 7.825 11.642 -10.182 1.00 1.39 C ATOM 210 O PRO A 14 7.340 12.430 -10.993 1.00 1.57 O ATOM 211 CB PRO A 14 7.872 13.182 -8.141 1.00 2.03 C ATOM 212 CG PRO A 14 8.359 14.490 -8.764 1.00 2.16 C ATOM 213 CD PRO A 14 9.800 14.166 -9.167 1.00 2.06 C ATOM 0 HA PRO A 14 8.732 11.211 -8.342 1.00 1.62 H new ATOM 0 HB2 PRO A 14 6.790 13.078 -8.221 1.00 2.03 H new ATOM 0 HB3 PRO A 14 8.121 13.126 -7.081 1.00 2.03 H new ATOM 0 HG2 PRO A 14 7.754 14.777 -9.624 1.00 2.16 H new ATOM 0 HG3 PRO A 14 8.315 15.316 -8.054 1.00 2.16 H new ATOM 0 HD2 PRO A 14 10.073 14.686 -10.085 1.00 2.06 H new ATOM 0 HD3 PRO A 14 10.501 14.489 -8.397 1.00 2.06 H new ATOM 221 N LYS A 15 7.690 10.323 -10.305 1.00 0.91 N ATOM 222 CA LYS A 15 6.877 9.679 -11.338 1.00 0.86 C ATOM 223 C LYS A 15 5.389 9.992 -11.086 1.00 1.08 C ATOM 224 O LYS A 15 4.940 9.806 -9.958 1.00 1.32 O ATOM 225 CB LYS A 15 7.192 8.173 -11.315 1.00 1.23 C ATOM 226 CG LYS A 15 6.174 7.271 -12.037 1.00 1.70 C ATOM 227 CD LYS A 15 6.532 5.783 -11.910 1.00 2.24 C ATOM 228 CE LYS A 15 5.391 4.919 -12.467 1.00 2.08 C ATOM 229 NZ LYS A 15 5.642 3.463 -12.320 1.00 2.97 N ATOM 0 H LYS A 15 8.149 9.660 -9.680 1.00 0.91 H new ATOM 0 HA LYS A 15 7.108 10.057 -12.334 1.00 0.86 H new ATOM 0 HB2 LYS A 15 8.172 8.018 -11.766 1.00 1.23 H new ATOM 0 HB3 LYS A 15 7.264 7.851 -10.276 1.00 1.23 H new ATOM 0 HG2 LYS A 15 5.180 7.441 -11.622 1.00 1.70 H new ATOM 0 HG3 LYS A 15 6.131 7.545 -13.091 1.00 1.70 H new ATOM 0 HD2 LYS A 15 7.455 5.575 -12.452 1.00 2.24 H new ATOM 0 HD3 LYS A 15 6.713 5.532 -10.865 1.00 2.24 H new ATOM 0 HE2 LYS A 15 4.464 5.176 -11.954 1.00 2.08 H new ATOM 0 HE3 LYS A 15 5.247 5.153 -13.522 1.00 2.08 H new ATOM 0 HZ1 LYS A 15 4.735 2.956 -12.285 1.00 2.97 H new ATOM 0 HZ2 LYS A 15 6.198 3.123 -13.131 1.00 2.97 H new ATOM 0 HZ3 LYS A 15 6.170 3.289 -11.441 1.00 2.97 H new ATOM 243 N PRO A 16 4.600 10.432 -12.076 1.00 0.80 N ATOM 244 CA PRO A 16 3.167 10.617 -11.888 1.00 0.89 C ATOM 245 C PRO A 16 2.514 9.237 -11.757 1.00 1.10 C ATOM 246 O PRO A 16 2.906 8.315 -12.472 1.00 1.05 O ATOM 247 CB PRO A 16 2.701 11.394 -13.122 1.00 1.24 C ATOM 248 CG PRO A 16 3.690 10.972 -14.214 1.00 1.33 C ATOM 249 CD PRO A 16 4.983 10.641 -13.460 1.00 1.10 C ATOM 0 HA PRO A 16 2.899 11.169 -10.987 1.00 0.89 H new ATOM 0 HB2 PRO A 16 1.676 11.140 -13.391 1.00 1.24 H new ATOM 0 HB3 PRO A 16 2.729 12.470 -12.951 1.00 1.24 H new ATOM 0 HG2 PRO A 16 3.323 10.109 -14.769 1.00 1.33 H new ATOM 0 HG3 PRO A 16 3.847 11.772 -14.937 1.00 1.33 H new ATOM 0 HD2 PRO A 16 5.457 9.750 -13.872 1.00 1.10 H new ATOM 0 HD3 PRO A 16 5.704 11.454 -13.546 1.00 1.10 H new ATOM 257 N VAL A 17 1.548 9.092 -10.844 1.00 0.70 N ATOM 258 CA VAL A 17 0.778 7.838 -10.673 1.00 0.73 C ATOM 259 C VAL A 17 -0.707 8.087 -10.390 1.00 1.07 C ATOM 260 O VAL A 17 -1.063 9.007 -9.655 1.00 1.16 O ATOM 261 CB VAL A 17 1.347 6.913 -9.565 1.00 0.78 C ATOM 262 CG1 VAL A 17 2.651 6.224 -10.007 1.00 0.94 C ATOM 263 CG2 VAL A 17 1.593 7.647 -8.236 1.00 0.90 C ATOM 0 H VAL A 17 1.272 9.834 -10.200 1.00 0.70 H new ATOM 0 HA VAL A 17 0.879 7.332 -11.633 1.00 0.73 H new ATOM 0 HB VAL A 17 0.577 6.160 -9.400 1.00 0.78 H new ATOM 0 HG11 VAL A 17 3.016 5.586 -9.202 1.00 0.94 H new ATOM 0 HG12 VAL A 17 2.460 5.618 -10.893 1.00 0.94 H new ATOM 0 HG13 VAL A 17 3.401 6.980 -10.239 1.00 0.94 H new ATOM 0 HG21 VAL A 17 1.991 6.947 -7.502 1.00 0.90 H new ATOM 0 HG22 VAL A 17 2.309 8.454 -8.393 1.00 0.90 H new ATOM 0 HG23 VAL A 17 0.654 8.062 -7.870 1.00 0.90 H new ATOM 273 N ASP A 18 -1.559 7.219 -10.938 1.00 0.73 N ATOM 274 CA ASP A 18 -3.009 7.186 -10.726 1.00 0.67 C ATOM 275 C ASP A 18 -3.584 5.794 -11.048 1.00 0.94 C ATOM 276 O ASP A 18 -2.962 4.995 -11.747 1.00 1.40 O ATOM 277 CB ASP A 18 -3.688 8.305 -11.533 1.00 0.87 C ATOM 278 CG ASP A 18 -5.209 8.351 -11.346 1.00 1.18 C ATOM 279 OD1 ASP A 18 -5.698 8.441 -10.193 1.00 1.87 O ATOM 280 OD2 ASP A 18 -5.931 8.300 -12.365 1.00 2.18 O ATOM 0 H ASP A 18 -1.243 6.485 -11.572 1.00 0.73 H new ATOM 0 HA ASP A 18 -3.218 7.370 -9.672 1.00 0.67 H new ATOM 0 HB2 ASP A 18 -3.264 9.265 -11.238 1.00 0.87 H new ATOM 0 HB3 ASP A 18 -3.463 8.168 -12.591 1.00 0.87 H new ATOM 285 N PHE A 19 -4.768 5.489 -10.515 1.00 0.67 N ATOM 286 CA PHE A 19 -5.464 4.213 -10.706 1.00 0.69 C ATOM 287 C PHE A 19 -6.964 4.368 -10.428 1.00 1.53 C ATOM 288 O PHE A 19 -7.395 5.384 -9.880 1.00 1.74 O ATOM 289 CB PHE A 19 -4.811 3.096 -9.858 1.00 0.78 C ATOM 290 CG PHE A 19 -4.937 3.194 -8.341 1.00 0.91 C ATOM 291 CD1 PHE A 19 -6.166 2.912 -7.711 1.00 1.78 C ATOM 292 CD2 PHE A 19 -3.809 3.466 -7.541 1.00 1.99 C ATOM 293 CE1 PHE A 19 -6.276 2.926 -6.310 1.00 1.77 C ATOM 294 CE2 PHE A 19 -3.905 3.425 -6.138 1.00 1.86 C ATOM 295 CZ PHE A 19 -5.143 3.167 -5.521 1.00 1.15 C ATOM 0 H PHE A 19 -5.284 6.139 -9.922 1.00 0.67 H new ATOM 0 HA PHE A 19 -5.365 3.911 -11.749 1.00 0.69 H new ATOM 0 HB2 PHE A 19 -5.240 2.144 -10.170 1.00 0.78 H new ATOM 0 HB3 PHE A 19 -3.750 3.064 -10.105 1.00 0.78 H new ATOM 0 HD1 PHE A 19 -7.033 2.682 -8.312 1.00 1.78 H new ATOM 0 HD2 PHE A 19 -2.865 3.707 -8.008 1.00 1.99 H new ATOM 0 HE1 PHE A 19 -7.233 2.751 -5.842 1.00 1.77 H new ATOM 0 HE2 PHE A 19 -3.026 3.592 -5.533 1.00 1.86 H new ATOM 0 HZ PHE A 19 -5.220 3.155 -4.444 1.00 1.15 H new ATOM 305 N ALA A 20 -7.761 3.347 -10.764 1.00 0.67 N ATOM 306 CA ALA A 20 -9.173 3.225 -10.403 1.00 0.63 C ATOM 307 C ALA A 20 -9.447 1.835 -9.803 1.00 0.81 C ATOM 308 O ALA A 20 -9.223 0.831 -10.470 1.00 0.90 O ATOM 309 CB ALA A 20 -10.004 3.462 -11.673 1.00 0.71 C ATOM 0 H ALA A 20 -7.426 2.556 -11.314 1.00 0.67 H new ATOM 0 HA ALA A 20 -9.446 3.961 -9.647 1.00 0.63 H new ATOM 0 HB1 ALA A 20 -11.064 3.377 -11.435 1.00 0.71 H new ATOM 0 HB2 ALA A 20 -9.798 4.459 -12.062 1.00 0.71 H new ATOM 0 HB3 ALA A 20 -9.740 2.718 -12.425 1.00 0.71 H new ATOM 315 N LEU A 21 -9.896 1.787 -8.546 1.00 0.58 N ATOM 316 CA LEU A 21 -10.239 0.579 -7.791 1.00 0.55 C ATOM 317 C LEU A 21 -11.492 0.805 -6.933 1.00 0.91 C ATOM 318 O LEU A 21 -11.979 1.934 -6.828 1.00 1.09 O ATOM 319 CB LEU A 21 -9.037 0.194 -6.906 1.00 0.59 C ATOM 320 CG LEU A 21 -8.508 -1.240 -7.076 1.00 0.94 C ATOM 321 CD1 LEU A 21 -9.519 -2.333 -6.701 1.00 1.35 C ATOM 322 CD2 LEU A 21 -7.997 -1.490 -8.495 1.00 1.54 C ATOM 0 H LEU A 21 -10.038 2.636 -7.998 1.00 0.58 H new ATOM 0 HA LEU A 21 -10.461 -0.232 -8.485 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -8.222 0.888 -7.112 1.00 0.59 H new ATOM 0 HB3 LEU A 21 -9.319 0.335 -5.863 1.00 0.59 H new ATOM 0 HG LEU A 21 -7.683 -1.310 -6.368 1.00 0.94 H new ATOM 0 HD11 LEU A 21 -9.067 -3.314 -6.850 1.00 1.35 H new ATOM 0 HD12 LEU A 21 -9.806 -2.220 -5.655 1.00 1.35 H new ATOM 0 HD13 LEU A 21 -10.404 -2.242 -7.331 1.00 1.35 H new ATOM 0 HD21 LEU A 21 -7.632 -2.514 -8.575 1.00 1.54 H new ATOM 0 HD22 LEU A 21 -8.809 -1.338 -9.206 1.00 1.54 H new ATOM 0 HD23 LEU A 21 -7.186 -0.797 -8.717 1.00 1.54 H new ATOM 334 N GLU A 22 -11.982 -0.263 -6.311 1.00 0.72 N ATOM 335 CA GLU A 22 -13.290 -0.354 -5.672 1.00 0.66 C ATOM 336 C GLU A 22 -13.164 -0.797 -4.203 1.00 1.03 C ATOM 337 O GLU A 22 -12.237 -1.518 -3.831 1.00 1.22 O ATOM 338 CB GLU A 22 -14.145 -1.301 -6.528 1.00 0.65 C ATOM 339 CG GLU A 22 -15.586 -1.440 -6.052 1.00 1.61 C ATOM 340 CD GLU A 22 -16.276 -0.080 -6.005 1.00 3.44 C ATOM 341 OE1 GLU A 22 -16.644 0.413 -7.093 1.00 3.95 O ATOM 342 OE2 GLU A 22 -16.342 0.496 -4.896 1.00 5.14 O ATOM 0 H GLU A 22 -11.451 -1.131 -6.235 1.00 0.72 H new ATOM 0 HA GLU A 22 -13.778 0.619 -5.625 1.00 0.66 H new ATOM 0 HB2 GLU A 22 -14.147 -0.941 -7.557 1.00 0.65 H new ATOM 0 HB3 GLU A 22 -13.680 -2.287 -6.536 1.00 0.65 H new ATOM 0 HG2 GLU A 22 -16.131 -2.106 -6.720 1.00 1.61 H new ATOM 0 HG3 GLU A 22 -15.604 -1.896 -5.062 1.00 1.61 H new ATOM 349 N GLY A 23 -14.088 -0.328 -3.360 1.00 0.68 N ATOM 350 CA GLY A 23 -14.172 -0.613 -1.922 1.00 0.70 C ATOM 351 C GLY A 23 -15.583 -1.047 -1.497 1.00 0.81 C ATOM 352 O GLY A 23 -16.484 -1.121 -2.330 1.00 0.97 O ATOM 0 H GLY A 23 -14.835 0.291 -3.676 1.00 0.68 H new ATOM 0 HA2 GLY A 23 -13.460 -1.398 -1.667 1.00 0.70 H new ATOM 0 HA3 GLY A 23 -13.882 0.275 -1.360 1.00 0.70 H new ATOM 356 N PRO A 24 -15.833 -1.305 -0.202 1.00 0.71 N ATOM 357 CA PRO A 24 -17.154 -1.665 0.331 1.00 0.83 C ATOM 358 C PRO A 24 -18.089 -0.438 0.451 1.00 1.05 C ATOM 359 O PRO A 24 -18.810 -0.289 1.436 1.00 1.25 O ATOM 360 CB PRO A 24 -16.833 -2.298 1.687 1.00 0.99 C ATOM 361 CG PRO A 24 -15.670 -1.433 2.156 1.00 0.96 C ATOM 362 CD PRO A 24 -14.852 -1.287 0.874 1.00 0.77 C ATOM 0 HA PRO A 24 -17.702 -2.344 -0.322 1.00 0.83 H new ATOM 0 HB2 PRO A 24 -17.680 -2.253 2.372 1.00 0.99 H new ATOM 0 HB3 PRO A 24 -16.553 -3.347 1.594 1.00 0.99 H new ATOM 0 HG2 PRO A 24 -16.006 -0.469 2.539 1.00 0.96 H new ATOM 0 HG3 PRO A 24 -15.100 -1.911 2.952 1.00 0.96 H new ATOM 0 HD2 PRO A 24 -14.282 -0.358 0.873 1.00 0.77 H new ATOM 0 HD3 PRO A 24 -14.135 -2.101 0.768 1.00 0.77 H new ATOM 370 N GLN A 25 -18.027 0.491 -0.507 1.00 0.88 N ATOM 371 CA GLN A 25 -18.595 1.840 -0.376 1.00 0.97 C ATOM 372 C GLN A 25 -18.735 2.631 -1.685 1.00 1.14 C ATOM 373 O GLN A 25 -19.392 3.669 -1.665 1.00 1.45 O ATOM 374 CB GLN A 25 -17.758 2.650 0.641 1.00 1.23 C ATOM 375 CG GLN A 25 -16.341 2.997 0.144 1.00 3.10 C ATOM 376 CD GLN A 25 -15.452 3.502 1.279 1.00 3.86 C ATOM 377 OE1 GLN A 25 -15.569 4.608 1.774 1.00 3.78 O ATOM 378 NE2 GLN A 25 -14.527 2.699 1.768 1.00 5.31 N ATOM 0 H GLN A 25 -17.576 0.328 -1.407 1.00 0.88 H new ATOM 0 HA GLN A 25 -19.618 1.692 -0.029 1.00 0.97 H new ATOM 0 HB2 GLN A 25 -18.286 3.574 0.878 1.00 1.23 H new ATOM 0 HB3 GLN A 25 -17.679 2.081 1.567 1.00 1.23 H new ATOM 0 HG2 GLN A 25 -15.888 2.115 -0.308 1.00 3.10 H new ATOM 0 HG3 GLN A 25 -16.404 3.757 -0.634 1.00 3.10 H new ATOM 0 HE21 GLN A 25 -14.403 1.766 1.376 1.00 5.31 H new ATOM 0 HE22 GLN A 25 -13.936 3.011 2.538 1.00 5.31 H new ATOM 387 N GLY A 26 -18.120 2.197 -2.793 1.00 0.83 N ATOM 388 CA GLY A 26 -17.982 2.991 -4.018 1.00 0.92 C ATOM 389 C GLY A 26 -16.508 3.279 -4.356 1.00 1.15 C ATOM 390 O GLY A 26 -15.646 3.212 -3.469 1.00 1.46 O ATOM 0 H GLY A 26 -17.699 1.271 -2.863 1.00 0.83 H new ATOM 0 HA2 GLY A 26 -18.447 2.460 -4.848 1.00 0.92 H new ATOM 0 HA3 GLY A 26 -18.518 3.933 -3.902 1.00 0.92 H new ATOM 394 N PRO A 27 -16.207 3.598 -5.629 1.00 0.97 N ATOM 395 CA PRO A 27 -14.855 3.525 -6.169 1.00 1.10 C ATOM 396 C PRO A 27 -13.932 4.643 -5.679 1.00 1.28 C ATOM 397 O PRO A 27 -14.345 5.778 -5.449 1.00 1.20 O ATOM 398 CB PRO A 27 -15.011 3.526 -7.696 1.00 1.14 C ATOM 399 CG PRO A 27 -16.341 4.245 -7.912 1.00 0.98 C ATOM 400 CD PRO A 27 -17.163 3.797 -6.708 1.00 0.87 C ATOM 0 HA PRO A 27 -14.361 2.619 -5.816 1.00 1.10 H new ATOM 0 HB2 PRO A 27 -14.188 4.047 -8.184 1.00 1.14 H new ATOM 0 HB3 PRO A 27 -15.031 2.513 -8.099 1.00 1.14 H new ATOM 0 HG2 PRO A 27 -16.217 5.328 -7.937 1.00 0.98 H new ATOM 0 HG3 PRO A 27 -16.810 3.956 -8.853 1.00 0.98 H new ATOM 0 HD2 PRO A 27 -17.905 4.549 -6.439 1.00 0.87 H new ATOM 0 HD3 PRO A 27 -17.705 2.877 -6.925 1.00 0.87 H new ATOM 408 N VAL A 28 -12.644 4.303 -5.590 1.00 0.89 N ATOM 409 CA VAL A 28 -11.535 5.147 -5.134 1.00 0.91 C ATOM 410 C VAL A 28 -10.465 5.212 -6.227 1.00 0.99 C ATOM 411 O VAL A 28 -9.959 4.195 -6.707 1.00 1.04 O ATOM 412 CB VAL A 28 -10.918 4.606 -3.820 1.00 1.04 C ATOM 413 CG1 VAL A 28 -9.696 5.430 -3.377 1.00 1.53 C ATOM 414 CG2 VAL A 28 -11.947 4.616 -2.676 1.00 1.60 C ATOM 0 H VAL A 28 -12.326 3.370 -5.852 1.00 0.89 H new ATOM 0 HA VAL A 28 -11.921 6.146 -4.934 1.00 0.91 H new ATOM 0 HB VAL A 28 -10.605 3.583 -4.030 1.00 1.04 H new ATOM 0 HG11 VAL A 28 -9.294 5.017 -2.452 1.00 1.53 H new ATOM 0 HG12 VAL A 28 -8.931 5.393 -4.153 1.00 1.53 H new ATOM 0 HG13 VAL A 28 -9.995 6.465 -3.212 1.00 1.53 H new ATOM 0 HG21 VAL A 28 -11.485 4.231 -1.767 1.00 1.60 H new ATOM 0 HG22 VAL A 28 -12.290 5.636 -2.504 1.00 1.60 H new ATOM 0 HG23 VAL A 28 -12.796 3.988 -2.945 1.00 1.60 H new ATOM 424 N ARG A 29 -10.104 6.444 -6.590 1.00 0.66 N ATOM 425 CA ARG A 29 -9.000 6.760 -7.500 1.00 0.61 C ATOM 426 C ARG A 29 -7.843 7.397 -6.733 1.00 1.11 C ATOM 427 O ARG A 29 -8.081 8.142 -5.785 1.00 1.35 O ATOM 428 CB ARG A 29 -9.485 7.701 -8.619 1.00 0.70 C ATOM 429 CG ARG A 29 -10.361 6.953 -9.638 1.00 0.92 C ATOM 430 CD ARG A 29 -11.021 7.847 -10.703 1.00 1.37 C ATOM 431 NE ARG A 29 -10.106 8.817 -11.333 1.00 1.98 N ATOM 432 CZ ARG A 29 -9.018 8.579 -12.057 1.00 3.08 C ATOM 433 NH1 ARG A 29 -8.545 7.378 -12.298 1.00 3.80 N ATOM 434 NH2 ARG A 29 -8.320 9.587 -12.515 1.00 4.36 N ATOM 0 H ARG A 29 -10.586 7.275 -6.249 1.00 0.66 H new ATOM 0 HA ARG A 29 -8.646 5.834 -7.952 1.00 0.61 H new ATOM 0 HB2 ARG A 29 -10.052 8.524 -8.184 1.00 0.70 H new ATOM 0 HB3 ARG A 29 -8.626 8.139 -9.127 1.00 0.70 H new ATOM 0 HG2 ARG A 29 -9.749 6.204 -10.141 1.00 0.92 H new ATOM 0 HG3 ARG A 29 -11.142 6.417 -9.099 1.00 0.92 H new ATOM 0 HD2 ARG A 29 -11.449 7.212 -11.479 1.00 1.37 H new ATOM 0 HD3 ARG A 29 -11.847 8.390 -10.244 1.00 1.37 H new ATOM 0 HE ARG A 29 -10.339 9.800 -11.195 1.00 1.98 H new ATOM 0 HH11 ARG A 29 -9.019 6.558 -11.920 1.00 3.80 H new ATOM 0 HH12 ARG A 29 -7.703 7.265 -12.863 1.00 3.80 H new ATOM 0 HH21 ARG A 29 -8.613 10.543 -12.315 1.00 4.36 H new ATOM 0 HH22 ARG A 29 -7.483 9.416 -13.072 1.00 4.36 H new ATOM 448 N LEU A 30 -6.594 7.163 -7.154 1.00 0.61 N ATOM 449 CA LEU A 30 -5.423 7.761 -6.486 1.00 0.66 C ATOM 450 C LEU A 30 -5.479 9.296 -6.533 1.00 1.00 C ATOM 451 O LEU A 30 -5.216 9.977 -5.548 1.00 1.11 O ATOM 452 CB LEU A 30 -4.126 7.253 -7.139 1.00 0.72 C ATOM 453 CG LEU A 30 -3.040 6.806 -6.144 1.00 1.06 C ATOM 454 CD1 LEU A 30 -1.749 6.504 -6.919 1.00 2.35 C ATOM 455 CD2 LEU A 30 -2.726 7.810 -5.035 1.00 1.74 C ATOM 0 H LEU A 30 -6.365 6.567 -7.950 1.00 0.61 H new ATOM 0 HA LEU A 30 -5.438 7.458 -5.439 1.00 0.66 H new ATOM 0 HB2 LEU A 30 -4.368 6.415 -7.793 1.00 0.72 H new ATOM 0 HB3 LEU A 30 -3.719 8.043 -7.770 1.00 0.72 H new ATOM 0 HG LEU A 30 -3.440 5.924 -5.644 1.00 1.06 H new ATOM 0 HD11 LEU A 30 -0.973 6.186 -6.223 1.00 2.35 H new ATOM 0 HD12 LEU A 30 -1.936 5.710 -7.642 1.00 2.35 H new ATOM 0 HD13 LEU A 30 -1.421 7.402 -7.443 1.00 2.35 H new ATOM 0 HD21 LEU A 30 -1.950 7.404 -4.386 1.00 1.74 H new ATOM 0 HD22 LEU A 30 -2.378 8.744 -5.477 1.00 1.74 H new ATOM 0 HD23 LEU A 30 -3.626 7.999 -4.450 1.00 1.74 H new ATOM 467 N SER A 31 -5.923 9.819 -7.674 1.00 0.80 N ATOM 468 CA SER A 31 -6.209 11.239 -7.941 1.00 0.96 C ATOM 469 C SER A 31 -7.309 11.886 -7.071 1.00 1.21 C ATOM 470 O SER A 31 -7.638 13.047 -7.305 1.00 1.69 O ATOM 471 CB SER A 31 -6.533 11.416 -9.435 1.00 1.19 C ATOM 472 OG SER A 31 -7.444 10.426 -9.902 1.00 1.49 O ATOM 0 H SER A 31 -6.106 9.234 -8.489 1.00 0.80 H new ATOM 0 HA SER A 31 -5.302 11.774 -7.659 1.00 0.96 H new ATOM 0 HB2 SER A 31 -6.958 12.406 -9.599 1.00 1.19 H new ATOM 0 HB3 SER A 31 -5.612 11.364 -10.015 1.00 1.19 H new ATOM 0 HG SER A 31 -6.956 9.600 -10.102 1.00 1.49 H new ATOM 478 N GLN A 32 -7.868 11.206 -6.057 1.00 0.91 N ATOM 479 CA GLN A 32 -8.618 11.883 -4.987 1.00 1.06 C ATOM 480 C GLN A 32 -7.709 12.338 -3.832 1.00 1.47 C ATOM 481 O GLN A 32 -7.972 13.382 -3.250 1.00 1.87 O ATOM 482 CB GLN A 32 -9.822 11.041 -4.521 1.00 1.15 C ATOM 483 CG GLN A 32 -9.529 9.807 -3.645 1.00 1.90 C ATOM 484 CD GLN A 32 -10.097 9.932 -2.228 1.00 3.41 C ATOM 485 OE1 GLN A 32 -9.783 10.845 -1.482 1.00 5.09 O ATOM 486 NE2 GLN A 32 -10.979 9.047 -1.796 1.00 3.71 N ATOM 0 H GLN A 32 -7.815 10.192 -5.956 1.00 0.91 H new ATOM 0 HA GLN A 32 -9.030 12.800 -5.408 1.00 1.06 H new ATOM 0 HB2 GLN A 32 -10.496 11.695 -3.967 1.00 1.15 H new ATOM 0 HB3 GLN A 32 -10.361 10.705 -5.407 1.00 1.15 H new ATOM 0 HG2 GLN A 32 -9.949 8.921 -4.122 1.00 1.90 H new ATOM 0 HG3 GLN A 32 -8.451 9.657 -3.587 1.00 1.90 H new ATOM 0 HE21 GLN A 32 -11.261 8.273 -2.397 1.00 3.71 H new ATOM 0 HE22 GLN A 32 -11.377 9.138 -0.862 1.00 3.71 H new ATOM 495 N PHE A 33 -6.610 11.627 -3.536 1.00 0.86 N ATOM 496 CA PHE A 33 -5.732 11.898 -2.390 1.00 0.95 C ATOM 497 C PHE A 33 -4.553 12.825 -2.724 1.00 2.05 C ATOM 498 O PHE A 33 -3.630 12.968 -1.921 1.00 2.58 O ATOM 499 CB PHE A 33 -5.183 10.565 -1.854 1.00 1.20 C ATOM 500 CG PHE A 33 -6.192 9.488 -1.500 1.00 1.02 C ATOM 501 CD1 PHE A 33 -7.011 9.628 -0.363 1.00 1.76 C ATOM 502 CD2 PHE A 33 -6.257 8.311 -2.267 1.00 2.40 C ATOM 503 CE1 PHE A 33 -7.899 8.597 -0.003 1.00 1.80 C ATOM 504 CE2 PHE A 33 -7.140 7.281 -1.904 1.00 2.34 C ATOM 505 CZ PHE A 33 -7.965 7.424 -0.775 1.00 1.36 C ATOM 0 H PHE A 33 -6.302 10.833 -4.098 1.00 0.86 H new ATOM 0 HA PHE A 33 -6.337 12.413 -1.644 1.00 0.95 H new ATOM 0 HB2 PHE A 33 -4.502 10.156 -2.600 1.00 1.20 H new ATOM 0 HB3 PHE A 33 -4.591 10.778 -0.964 1.00 1.20 H new ATOM 0 HD1 PHE A 33 -6.958 10.527 0.233 1.00 1.76 H new ATOM 0 HD2 PHE A 33 -5.627 8.199 -3.137 1.00 2.40 H new ATOM 0 HE1 PHE A 33 -8.530 8.707 0.867 1.00 1.80 H new ATOM 0 HE2 PHE A 33 -7.185 6.377 -2.494 1.00 2.34 H new ATOM 0 HZ PHE A 33 -8.649 6.634 -0.501 1.00 1.36 H new ATOM 515 N GLN A 34 -4.530 13.389 -3.932 1.00 0.79 N ATOM 516 CA GLN A 34 -3.355 14.062 -4.502 1.00 0.94 C ATOM 517 C GLN A 34 -3.007 15.399 -3.833 1.00 1.35 C ATOM 518 O GLN A 34 -1.851 15.803 -3.851 1.00 1.99 O ATOM 519 CB GLN A 34 -3.494 14.167 -6.029 1.00 1.00 C ATOM 520 CG GLN A 34 -4.670 15.030 -6.529 1.00 1.47 C ATOM 521 CD GLN A 34 -4.774 15.026 -8.057 1.00 1.73 C ATOM 522 OE1 GLN A 34 -4.431 14.066 -8.729 1.00 1.99 O ATOM 523 NE2 GLN A 34 -5.229 16.087 -8.687 1.00 2.77 N ATOM 0 H GLN A 34 -5.338 13.393 -4.554 1.00 0.79 H new ATOM 0 HA GLN A 34 -2.491 13.435 -4.281 1.00 0.94 H new ATOM 0 HB2 GLN A 34 -2.568 14.576 -6.434 1.00 1.00 H new ATOM 0 HB3 GLN A 34 -3.604 13.162 -6.437 1.00 1.00 H new ATOM 0 HG2 GLN A 34 -5.601 14.658 -6.101 1.00 1.47 H new ATOM 0 HG3 GLN A 34 -4.544 16.054 -6.177 1.00 1.47 H new ATOM 0 HE21 GLN A 34 -5.524 16.907 -8.157 1.00 2.77 H new ATOM 0 HE22 GLN A 34 -5.286 16.090 -9.705 1.00 2.77 H new ATOM 532 N ASP A 35 -3.966 16.019 -3.148 1.00 1.45 N ATOM 533 CA ASP A 35 -3.780 17.119 -2.191 1.00 1.85 C ATOM 534 C ASP A 35 -2.930 16.710 -0.954 1.00 1.84 C ATOM 535 O ASP A 35 -2.489 17.553 -0.173 1.00 2.31 O ATOM 536 CB ASP A 35 -5.219 17.543 -1.839 1.00 2.12 C ATOM 537 CG ASP A 35 -5.374 18.494 -0.651 1.00 2.53 C ATOM 538 OD1 ASP A 35 -5.021 19.683 -0.765 1.00 3.37 O ATOM 539 OD2 ASP A 35 -5.916 18.012 0.372 1.00 3.23 O ATOM 0 H ASP A 35 -4.947 15.757 -3.248 1.00 1.45 H new ATOM 0 HA ASP A 35 -3.204 17.944 -2.609 1.00 1.85 H new ATOM 0 HB2 ASP A 35 -5.660 18.016 -2.716 1.00 2.12 H new ATOM 0 HB3 ASP A 35 -5.801 16.644 -1.636 1.00 2.12 H new ATOM 544 N LYS A 36 -2.690 15.405 -0.758 1.00 1.43 N ATOM 545 CA LYS A 36 -2.160 14.799 0.474 1.00 1.48 C ATOM 546 C LYS A 36 -0.983 13.796 0.234 1.00 1.55 C ATOM 547 O LYS A 36 -0.203 13.910 -0.720 1.00 1.73 O ATOM 548 CB LYS A 36 -3.355 14.219 1.260 1.00 1.67 C ATOM 549 CG LYS A 36 -4.440 15.284 1.498 1.00 2.09 C ATOM 550 CD LYS A 36 -5.182 15.026 2.806 1.00 1.91 C ATOM 551 CE LYS A 36 -6.656 15.410 2.711 1.00 2.30 C ATOM 552 NZ LYS A 36 -6.822 16.879 2.606 1.00 2.71 N ATOM 0 H LYS A 36 -2.868 14.712 -1.485 1.00 1.43 H new ATOM 0 HA LYS A 36 -1.677 15.564 1.082 1.00 1.48 H new ATOM 0 HB2 LYS A 36 -3.781 13.380 0.710 1.00 1.67 H new ATOM 0 HB3 LYS A 36 -3.008 13.830 2.217 1.00 1.67 H new ATOM 0 HG2 LYS A 36 -3.984 16.274 1.524 1.00 2.09 H new ATOM 0 HG3 LYS A 36 -5.147 15.280 0.668 1.00 2.09 H new ATOM 0 HD2 LYS A 36 -5.098 13.971 3.069 1.00 1.91 H new ATOM 0 HD3 LYS A 36 -4.710 15.593 3.609 1.00 1.91 H new ATOM 0 HE2 LYS A 36 -7.105 14.928 1.843 1.00 2.30 H new ATOM 0 HE3 LYS A 36 -7.187 15.043 3.589 1.00 2.30 H new ATOM 0 HZ1 LYS A 36 -7.742 17.154 3.006 1.00 2.71 H new ATOM 0 HZ2 LYS A 36 -6.060 17.353 3.132 1.00 2.71 H new ATOM 0 HZ3 LYS A 36 -6.781 17.162 1.606 1.00 2.71 H new ATOM 566 N VAL A 37 -0.811 12.832 1.146 1.00 1.33 N ATOM 567 CA VAL A 37 0.207 11.766 1.176 1.00 1.30 C ATOM 568 C VAL A 37 -0.496 10.418 1.427 1.00 1.52 C ATOM 569 O VAL A 37 -1.477 10.370 2.173 1.00 2.06 O ATOM 570 CB VAL A 37 1.258 12.022 2.295 1.00 1.34 C ATOM 571 CG1 VAL A 37 2.552 11.241 2.023 1.00 1.48 C ATOM 572 CG2 VAL A 37 1.607 13.517 2.460 1.00 1.68 C ATOM 0 H VAL A 37 -1.432 12.769 1.953 1.00 1.33 H new ATOM 0 HA VAL A 37 0.730 11.752 0.220 1.00 1.30 H new ATOM 0 HB VAL A 37 0.797 11.676 3.220 1.00 1.34 H new ATOM 0 HG11 VAL A 37 3.270 11.437 2.819 1.00 1.48 H new ATOM 0 HG12 VAL A 37 2.332 10.174 1.987 1.00 1.48 H new ATOM 0 HG13 VAL A 37 2.974 11.557 1.069 1.00 1.48 H new ATOM 0 HG21 VAL A 37 2.344 13.633 3.254 1.00 1.68 H new ATOM 0 HG22 VAL A 37 2.017 13.900 1.526 1.00 1.68 H new ATOM 0 HG23 VAL A 37 0.706 14.075 2.717 1.00 1.68 H new ATOM 582 N VAL A 38 -0.009 9.348 0.791 1.00 0.71 N ATOM 583 CA VAL A 38 -0.589 7.995 0.805 1.00 0.64 C ATOM 584 C VAL A 38 0.522 6.937 0.876 1.00 0.99 C ATOM 585 O VAL A 38 1.503 7.000 0.126 1.00 0.93 O ATOM 586 CB VAL A 38 -1.453 7.738 -0.457 1.00 0.65 C ATOM 587 CG1 VAL A 38 -2.057 6.323 -0.480 1.00 0.95 C ATOM 588 CG2 VAL A 38 -2.606 8.744 -0.593 1.00 1.01 C ATOM 0 H VAL A 38 0.839 9.400 0.226 1.00 0.71 H new ATOM 0 HA VAL A 38 -1.225 7.922 1.687 1.00 0.64 H new ATOM 0 HB VAL A 38 -0.763 7.855 -1.293 1.00 0.65 H new ATOM 0 HG11 VAL A 38 -2.652 6.196 -1.384 1.00 0.95 H new ATOM 0 HG12 VAL A 38 -1.255 5.585 -0.467 1.00 0.95 H new ATOM 0 HG13 VAL A 38 -2.692 6.184 0.395 1.00 0.95 H new ATOM 0 HG21 VAL A 38 -3.180 8.520 -1.492 1.00 1.01 H new ATOM 0 HG22 VAL A 38 -3.256 8.673 0.279 1.00 1.01 H new ATOM 0 HG23 VAL A 38 -2.202 9.754 -0.663 1.00 1.01 H new ATOM 598 N LEU A 39 0.331 5.942 1.749 1.00 0.74 N ATOM 599 CA LEU A 39 1.087 4.686 1.773 1.00 0.77 C ATOM 600 C LEU A 39 0.270 3.551 1.140 1.00 1.11 C ATOM 601 O LEU A 39 -0.940 3.457 1.330 1.00 1.20 O ATOM 602 CB LEU A 39 1.465 4.346 3.228 1.00 0.86 C ATOM 603 CG LEU A 39 2.512 5.306 3.826 1.00 1.21 C ATOM 604 CD1 LEU A 39 2.548 5.203 5.357 1.00 1.80 C ATOM 605 CD2 LEU A 39 3.908 5.023 3.253 1.00 1.65 C ATOM 0 H LEU A 39 -0.377 5.991 2.482 1.00 0.74 H new ATOM 0 HA LEU A 39 1.999 4.803 1.188 1.00 0.77 H new ATOM 0 HB2 LEU A 39 0.566 4.370 3.845 1.00 0.86 H new ATOM 0 HB3 LEU A 39 1.852 3.328 3.267 1.00 0.86 H new ATOM 0 HG LEU A 39 2.218 6.319 3.552 1.00 1.21 H new ATOM 0 HD11 LEU A 39 3.296 5.892 5.751 1.00 1.80 H new ATOM 0 HD12 LEU A 39 1.569 5.460 5.762 1.00 1.80 H new ATOM 0 HD13 LEU A 39 2.805 4.184 5.647 1.00 1.80 H new ATOM 0 HD21 LEU A 39 4.628 5.714 3.691 1.00 1.65 H new ATOM 0 HD22 LEU A 39 4.198 3.999 3.489 1.00 1.65 H new ATOM 0 HD23 LEU A 39 3.891 5.155 2.171 1.00 1.65 H new ATOM 617 N LEU A 40 0.941 2.685 0.381 1.00 1.00 N ATOM 618 CA LEU A 40 0.308 1.624 -0.418 1.00 0.96 C ATOM 619 C LEU A 40 1.036 0.289 -0.258 1.00 1.23 C ATOM 620 O LEU A 40 2.265 0.251 -0.275 1.00 1.42 O ATOM 621 CB LEU A 40 0.331 2.071 -1.889 1.00 1.01 C ATOM 622 CG LEU A 40 -0.851 2.983 -2.269 1.00 1.66 C ATOM 623 CD1 LEU A 40 -0.360 4.135 -3.151 1.00 3.08 C ATOM 624 CD2 LEU A 40 -1.929 2.172 -3.000 1.00 1.80 C ATOM 0 H LEU A 40 1.958 2.697 0.299 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.715 1.470 -0.075 1.00 0.96 H new ATOM 0 HB2 LEU A 40 1.265 2.597 -2.087 1.00 1.01 H new ATOM 0 HB3 LEU A 40 0.321 1.189 -2.529 1.00 1.01 H new ATOM 0 HG LEU A 40 -1.286 3.399 -1.360 1.00 1.66 H new ATOM 0 HD11 LEU A 40 -1.202 4.775 -3.415 1.00 3.08 H new ATOM 0 HD12 LEU A 40 0.383 4.718 -2.607 1.00 3.08 H new ATOM 0 HD13 LEU A 40 0.089 3.732 -4.059 1.00 3.08 H new ATOM 0 HD21 LEU A 40 -2.760 2.826 -3.264 1.00 1.80 H new ATOM 0 HD22 LEU A 40 -1.506 1.739 -3.906 1.00 1.80 H new ATOM 0 HD23 LEU A 40 -2.288 1.374 -2.350 1.00 1.80 H new ATOM 636 N PHE A 41 0.274 -0.805 -0.173 1.00 0.72 N ATOM 637 CA PHE A 41 0.792 -2.178 -0.154 1.00 0.61 C ATOM 638 C PHE A 41 -0.092 -3.130 -0.983 1.00 1.34 C ATOM 639 O PHE A 41 -1.325 -3.051 -0.923 1.00 1.66 O ATOM 640 CB PHE A 41 0.924 -2.637 1.312 1.00 0.74 C ATOM 641 CG PHE A 41 1.473 -4.041 1.514 1.00 0.94 C ATOM 642 CD1 PHE A 41 2.688 -4.425 0.913 1.00 2.25 C ATOM 643 CD2 PHE A 41 0.789 -4.958 2.335 1.00 1.88 C ATOM 644 CE1 PHE A 41 3.194 -5.723 1.102 1.00 2.35 C ATOM 645 CE2 PHE A 41 1.297 -6.257 2.525 1.00 1.92 C ATOM 646 CZ PHE A 41 2.495 -6.641 1.901 1.00 1.28 C ATOM 0 H PHE A 41 -0.743 -0.761 -0.114 1.00 0.72 H new ATOM 0 HA PHE A 41 1.776 -2.202 -0.622 1.00 0.61 H new ATOM 0 HB2 PHE A 41 1.571 -1.934 1.837 1.00 0.74 H new ATOM 0 HB3 PHE A 41 -0.058 -2.579 1.782 1.00 0.74 H new ATOM 0 HD1 PHE A 41 3.233 -3.719 0.304 1.00 2.25 H new ATOM 0 HD2 PHE A 41 -0.129 -4.663 2.821 1.00 1.88 H new ATOM 0 HE1 PHE A 41 4.122 -6.014 0.632 1.00 2.35 H new ATOM 0 HE2 PHE A 41 0.765 -6.958 3.151 1.00 1.92 H new ATOM 0 HZ PHE A 41 2.878 -7.642 2.036 1.00 1.28 H new ATOM 656 N PHE A 42 0.559 -4.032 -1.737 1.00 0.58 N ATOM 657 CA PHE A 42 -0.086 -5.036 -2.597 1.00 0.58 C ATOM 658 C PHE A 42 0.034 -6.454 -2.013 1.00 1.80 C ATOM 659 O PHE A 42 1.121 -7.036 -1.957 1.00 2.21 O ATOM 660 CB PHE A 42 0.512 -4.972 -4.012 1.00 0.61 C ATOM 661 CG PHE A 42 -0.021 -3.826 -4.853 1.00 0.65 C ATOM 662 CD1 PHE A 42 0.421 -2.513 -4.621 1.00 2.12 C ATOM 663 CD2 PHE A 42 -0.972 -4.075 -5.863 1.00 1.93 C ATOM 664 CE1 PHE A 42 -0.080 -1.453 -5.393 1.00 1.92 C ATOM 665 CE2 PHE A 42 -1.463 -3.016 -6.645 1.00 2.02 C ATOM 666 CZ PHE A 42 -1.023 -1.701 -6.404 1.00 0.87 C ATOM 0 H PHE A 42 1.577 -4.083 -1.765 1.00 0.58 H new ATOM 0 HA PHE A 42 -1.150 -4.804 -2.649 1.00 0.58 H new ATOM 0 HB2 PHE A 42 1.595 -4.880 -3.934 1.00 0.61 H new ATOM 0 HB3 PHE A 42 0.308 -5.912 -4.525 1.00 0.61 H new ATOM 0 HD1 PHE A 42 1.148 -2.318 -3.847 1.00 2.12 H new ATOM 0 HD2 PHE A 42 -1.324 -5.081 -6.036 1.00 1.93 H new ATOM 0 HE1 PHE A 42 0.260 -0.445 -5.209 1.00 1.92 H new ATOM 0 HE2 PHE A 42 -2.178 -3.211 -7.431 1.00 2.02 H new ATOM 0 HZ PHE A 42 -1.410 -0.884 -6.995 1.00 0.87 H new ATOM 676 N GLY A 43 -1.102 -7.008 -1.575 1.00 0.63 N ATOM 677 CA GLY A 43 -1.239 -8.386 -1.086 1.00 0.79 C ATOM 678 C GLY A 43 -2.585 -9.032 -1.418 1.00 0.82 C ATOM 679 O GLY A 43 -3.465 -8.417 -2.016 1.00 0.87 O ATOM 0 H GLY A 43 -1.982 -6.492 -1.550 1.00 0.63 H new ATOM 0 HA2 GLY A 43 -0.441 -8.993 -1.513 1.00 0.79 H new ATOM 0 HA3 GLY A 43 -1.101 -8.393 -0.005 1.00 0.79 H new ATOM 683 N PHE A 44 -2.772 -10.269 -0.959 1.00 0.94 N ATOM 684 CA PHE A 44 -4.095 -10.822 -0.641 1.00 0.84 C ATOM 685 C PHE A 44 -4.209 -10.947 0.884 1.00 1.69 C ATOM 686 O PHE A 44 -3.188 -11.130 1.553 1.00 2.47 O ATOM 687 CB PHE A 44 -4.299 -12.170 -1.352 1.00 1.13 C ATOM 688 CG PHE A 44 -3.393 -13.304 -0.894 1.00 1.30 C ATOM 689 CD1 PHE A 44 -2.142 -13.513 -1.509 1.00 2.54 C ATOM 690 CD2 PHE A 44 -3.815 -14.172 0.130 1.00 2.68 C ATOM 691 CE1 PHE A 44 -1.326 -14.587 -1.110 1.00 3.73 C ATOM 692 CE2 PHE A 44 -3.003 -15.251 0.526 1.00 3.66 C ATOM 693 CZ PHE A 44 -1.762 -15.466 -0.101 1.00 3.98 C ATOM 0 H PHE A 44 -2.007 -10.923 -0.795 1.00 0.94 H new ATOM 0 HA PHE A 44 -4.884 -10.161 -0.999 1.00 0.84 H new ATOM 0 HB2 PHE A 44 -5.335 -12.479 -1.213 1.00 1.13 H new ATOM 0 HB3 PHE A 44 -4.151 -12.021 -2.422 1.00 1.13 H new ATOM 0 HD1 PHE A 44 -1.809 -12.846 -2.290 1.00 2.54 H new ATOM 0 HD2 PHE A 44 -4.767 -14.009 0.614 1.00 2.68 H new ATOM 0 HE1 PHE A 44 -0.364 -14.737 -1.578 1.00 3.73 H new ATOM 0 HE2 PHE A 44 -3.333 -15.915 1.312 1.00 3.66 H new ATOM 0 HZ PHE A 44 -1.146 -16.303 0.191 1.00 3.98 H new ATOM 703 N THR A 45 -5.412 -10.812 1.456 1.00 0.85 N ATOM 704 CA THR A 45 -5.597 -10.771 2.921 1.00 1.08 C ATOM 705 C THR A 45 -4.942 -11.958 3.621 1.00 1.54 C ATOM 706 O THR A 45 -4.916 -13.080 3.122 1.00 2.23 O ATOM 707 CB THR A 45 -7.062 -10.596 3.345 1.00 1.22 C ATOM 708 OG1 THR A 45 -7.932 -11.282 2.490 1.00 1.66 O ATOM 709 CG2 THR A 45 -7.429 -9.115 3.354 1.00 1.22 C ATOM 0 H THR A 45 -6.280 -10.728 0.927 1.00 0.85 H new ATOM 0 HA THR A 45 -5.078 -9.873 3.254 1.00 1.08 H new ATOM 0 HB THR A 45 -7.167 -11.013 4.347 1.00 1.22 H new ATOM 0 HG1 THR A 45 -8.435 -10.638 1.949 1.00 1.66 H new ATOM 0 HG21 THR A 45 -8.470 -9.000 3.656 1.00 1.22 H new ATOM 0 HG22 THR A 45 -6.787 -8.585 4.057 1.00 1.22 H new ATOM 0 HG23 THR A 45 -7.293 -8.700 2.355 1.00 1.22 H new ATOM 717 N ARG A 46 -4.288 -11.663 4.751 1.00 2.91 N ATOM 718 CA ARG A 46 -3.369 -12.544 5.495 1.00 3.49 C ATOM 719 C ARG A 46 -2.056 -12.803 4.722 1.00 3.06 C ATOM 720 O ARG A 46 -0.992 -12.690 5.323 1.00 4.31 O ATOM 721 CB ARG A 46 -4.074 -13.851 5.916 1.00 4.19 C ATOM 722 CG ARG A 46 -3.650 -14.388 7.298 1.00 5.62 C ATOM 723 CD ARG A 46 -2.167 -14.733 7.480 1.00 6.89 C ATOM 724 NE ARG A 46 -1.715 -15.706 6.468 1.00 6.60 N ATOM 725 CZ ARG A 46 -0.802 -16.650 6.635 1.00 7.52 C ATOM 726 NH1 ARG A 46 -0.125 -16.799 7.750 1.00 8.72 N ATOM 727 NH2 ARG A 46 -0.537 -17.450 5.633 1.00 7.70 N ATOM 0 H ARG A 46 -4.389 -10.752 5.199 1.00 2.91 H new ATOM 0 HA ARG A 46 -3.081 -12.024 6.409 1.00 3.49 H new ATOM 0 HB2 ARG A 46 -5.151 -13.683 5.920 1.00 4.19 H new ATOM 0 HB3 ARG A 46 -3.873 -14.616 5.166 1.00 4.19 H new ATOM 0 HG2 ARG A 46 -3.921 -13.646 8.049 1.00 5.62 H new ATOM 0 HG3 ARG A 46 -4.235 -15.283 7.509 1.00 5.62 H new ATOM 0 HD2 ARG A 46 -1.569 -13.825 7.407 1.00 6.89 H new ATOM 0 HD3 ARG A 46 -2.006 -15.142 8.478 1.00 6.89 H new ATOM 0 HE ARG A 46 -2.149 -15.646 5.547 1.00 6.60 H new ATOM 0 HH11 ARG A 46 -0.293 -16.171 8.536 1.00 8.72 H new ATOM 0 HH12 ARG A 46 0.569 -17.542 7.830 1.00 8.72 H new ATOM 0 HH21 ARG A 46 -1.030 -17.338 4.747 1.00 7.70 H new ATOM 0 HH22 ARG A 46 0.163 -18.185 5.738 1.00 7.70 H new ATOM 741 N CYS A 47 -2.094 -13.075 3.413 1.00 1.56 N ATOM 742 CA CYS A 47 -0.931 -13.323 2.543 1.00 1.89 C ATOM 743 C CYS A 47 -0.245 -14.667 2.930 1.00 2.22 C ATOM 744 O CYS A 47 -0.883 -15.491 3.604 1.00 2.66 O ATOM 745 CB CYS A 47 -0.044 -12.051 2.554 1.00 2.52 C ATOM 746 SG CYS A 47 -0.004 -11.256 0.912 1.00 3.99 S ATOM 0 H CYS A 47 -2.976 -13.132 2.904 1.00 1.56 H new ATOM 0 HA CYS A 47 -1.206 -13.478 1.500 1.00 1.89 H new ATOM 0 HB2 CYS A 47 -0.425 -11.346 3.293 1.00 2.52 H new ATOM 0 HB3 CYS A 47 0.969 -12.314 2.858 1.00 2.52 H new ATOM 0 HG CYS A 47 0.746 -10.195 0.962 1.00 3.99 H new ATOM 752 N PRO A 48 1.023 -14.930 2.548 1.00 2.55 N ATOM 753 CA PRO A 48 1.860 -15.933 3.214 1.00 3.02 C ATOM 754 C PRO A 48 2.073 -15.655 4.712 1.00 2.71 C ATOM 755 O PRO A 48 2.202 -16.626 5.448 1.00 3.39 O ATOM 756 CB PRO A 48 3.185 -15.971 2.438 1.00 3.61 C ATOM 757 CG PRO A 48 3.193 -14.663 1.649 1.00 3.44 C ATOM 758 CD PRO A 48 1.719 -14.442 1.363 1.00 2.93 C ATOM 0 HA PRO A 48 1.363 -16.903 3.197 1.00 3.02 H new ATOM 0 HB2 PRO A 48 4.040 -16.035 3.112 1.00 3.61 H new ATOM 0 HB3 PRO A 48 3.235 -16.836 1.776 1.00 3.61 H new ATOM 0 HG2 PRO A 48 3.622 -13.844 2.226 1.00 3.44 H new ATOM 0 HG3 PRO A 48 3.776 -14.746 0.732 1.00 3.44 H new ATOM 0 HD2 PRO A 48 1.506 -13.388 1.187 1.00 2.93 H new ATOM 0 HD3 PRO A 48 1.405 -14.984 0.471 1.00 2.93 H new ATOM 766 N ASP A 49 2.030 -14.381 5.141 1.00 2.08 N ATOM 767 CA ASP A 49 1.702 -13.875 6.503 1.00 2.10 C ATOM 768 C ASP A 49 1.918 -12.357 6.611 1.00 1.85 C ATOM 769 O ASP A 49 1.304 -11.682 7.419 1.00 1.97 O ATOM 770 CB ASP A 49 2.462 -14.530 7.669 1.00 2.10 C ATOM 771 CG ASP A 49 1.760 -14.233 9.009 1.00 3.29 C ATOM 772 OD1 ASP A 49 0.555 -14.576 9.117 1.00 4.86 O ATOM 773 OD2 ASP A 49 2.424 -13.704 9.921 1.00 3.41 O ATOM 0 H ASP A 49 2.238 -13.613 4.503 1.00 2.08 H new ATOM 0 HA ASP A 49 0.652 -14.148 6.609 1.00 2.10 H new ATOM 0 HB2 ASP A 49 2.519 -15.607 7.513 1.00 2.10 H new ATOM 0 HB3 ASP A 49 3.486 -14.157 7.698 1.00 2.10 H new ATOM 778 N VAL A 50 2.764 -11.820 5.740 1.00 1.43 N ATOM 779 CA VAL A 50 3.197 -10.415 5.641 1.00 1.14 C ATOM 780 C VAL A 50 2.109 -9.314 5.717 1.00 1.23 C ATOM 781 O VAL A 50 2.439 -8.153 5.948 1.00 1.46 O ATOM 782 CB VAL A 50 4.085 -10.282 4.388 1.00 1.20 C ATOM 783 CG1 VAL A 50 3.311 -10.583 3.097 1.00 1.44 C ATOM 784 CG2 VAL A 50 4.842 -8.956 4.276 1.00 2.04 C ATOM 0 H VAL A 50 3.206 -12.395 5.023 1.00 1.43 H new ATOM 0 HA VAL A 50 3.749 -10.209 6.558 1.00 1.14 H new ATOM 0 HB VAL A 50 4.851 -11.046 4.521 1.00 1.20 H new ATOM 0 HG11 VAL A 50 3.977 -10.477 2.240 1.00 1.44 H new ATOM 0 HG12 VAL A 50 2.926 -11.602 3.133 1.00 1.44 H new ATOM 0 HG13 VAL A 50 2.480 -9.884 3.000 1.00 1.44 H new ATOM 0 HG21 VAL A 50 5.439 -8.954 3.364 1.00 2.04 H new ATOM 0 HG22 VAL A 50 4.129 -8.132 4.245 1.00 2.04 H new ATOM 0 HG23 VAL A 50 5.497 -8.837 5.139 1.00 2.04 H new ATOM 794 N CYS A 51 0.814 -9.622 5.533 1.00 1.22 N ATOM 795 CA CYS A 51 -0.253 -8.624 5.730 1.00 1.27 C ATOM 796 C CYS A 51 -0.238 -8.034 7.155 1.00 1.37 C ATOM 797 O CYS A 51 -0.007 -6.831 7.256 1.00 1.51 O ATOM 798 CB CYS A 51 -1.633 -9.173 5.328 1.00 1.55 C ATOM 799 SG CYS A 51 -1.894 -8.966 3.550 1.00 1.75 S ATOM 0 H CYS A 51 0.482 -10.544 5.251 1.00 1.22 H new ATOM 0 HA CYS A 51 -0.045 -7.794 5.055 1.00 1.27 H new ATOM 0 HB2 CYS A 51 -1.704 -10.228 5.593 1.00 1.55 H new ATOM 0 HB3 CYS A 51 -2.415 -8.652 5.881 1.00 1.55 H new ATOM 0 HG CYS A 51 -2.315 -7.760 3.311 1.00 1.75 H new ATOM 805 N PRO A 52 -0.449 -8.804 8.242 1.00 1.09 N ATOM 806 CA PRO A 52 -0.412 -8.258 9.593 1.00 1.15 C ATOM 807 C PRO A 52 0.912 -7.608 10.013 1.00 1.29 C ATOM 808 O PRO A 52 0.849 -6.666 10.800 1.00 1.17 O ATOM 809 CB PRO A 52 -0.826 -9.398 10.538 1.00 1.34 C ATOM 810 CG PRO A 52 -0.773 -10.656 9.672 1.00 1.32 C ATOM 811 CD PRO A 52 -1.096 -10.103 8.290 1.00 1.34 C ATOM 0 HA PRO A 52 -1.103 -7.417 9.640 1.00 1.15 H new ATOM 0 HB2 PRO A 52 -0.148 -9.474 11.388 1.00 1.34 H new ATOM 0 HB3 PRO A 52 -1.826 -9.236 10.940 1.00 1.34 H new ATOM 0 HG2 PRO A 52 0.207 -11.131 9.702 1.00 1.32 H new ATOM 0 HG3 PRO A 52 -1.499 -11.403 9.993 1.00 1.32 H new ATOM 0 HD2 PRO A 52 -0.721 -10.760 7.505 1.00 1.34 H new ATOM 0 HD3 PRO A 52 -2.172 -10.013 8.143 1.00 1.34 H new ATOM 819 N THR A 53 2.080 -8.044 9.510 1.00 0.98 N ATOM 820 CA THR A 53 3.379 -7.451 9.879 1.00 1.02 C ATOM 821 C THR A 53 3.541 -6.051 9.285 1.00 1.25 C ATOM 822 O THR A 53 3.652 -5.078 10.036 1.00 1.22 O ATOM 823 CB THR A 53 4.554 -8.374 9.524 1.00 1.21 C ATOM 824 OG1 THR A 53 4.621 -8.563 8.138 1.00 3.05 O ATOM 825 CG2 THR A 53 4.427 -9.753 10.176 1.00 1.95 C ATOM 0 H THR A 53 2.151 -8.811 8.842 1.00 0.98 H new ATOM 0 HA THR A 53 3.391 -7.342 10.963 1.00 1.02 H new ATOM 0 HB THR A 53 5.454 -7.885 9.898 1.00 1.21 H new ATOM 0 HG1 THR A 53 5.254 -7.923 7.751 1.00 3.05 H new ATOM 0 HG21 THR A 53 5.281 -10.369 9.895 1.00 1.95 H new ATOM 0 HG22 THR A 53 4.401 -9.642 11.260 1.00 1.95 H new ATOM 0 HG23 THR A 53 3.508 -10.232 9.838 1.00 1.95 H new ATOM 833 N THR A 54 3.458 -5.921 7.955 1.00 1.00 N ATOM 834 CA THR A 54 3.585 -4.638 7.253 1.00 0.98 C ATOM 835 C THR A 54 2.454 -3.681 7.621 1.00 1.06 C ATOM 836 O THR A 54 2.742 -2.513 7.871 1.00 1.07 O ATOM 837 CB THR A 54 3.765 -4.884 5.747 1.00 0.99 C ATOM 838 OG1 THR A 54 5.126 -5.165 5.507 1.00 1.42 O ATOM 839 CG2 THR A 54 3.434 -3.685 4.859 1.00 1.23 C ATOM 0 H THR A 54 3.299 -6.711 7.330 1.00 1.00 H new ATOM 0 HA THR A 54 4.486 -4.121 7.584 1.00 0.98 H new ATOM 0 HB THR A 54 3.079 -5.694 5.498 1.00 0.99 H new ATOM 0 HG1 THR A 54 5.422 -5.882 6.106 1.00 1.42 H new ATOM 0 HG21 THR A 54 3.590 -3.952 3.814 1.00 1.23 H new ATOM 0 HG22 THR A 54 2.393 -3.398 5.008 1.00 1.23 H new ATOM 0 HG23 THR A 54 4.082 -2.849 5.121 1.00 1.23 H new ATOM 847 N LEU A 55 1.198 -4.128 7.768 1.00 0.88 N ATOM 848 CA LEU A 55 0.126 -3.242 8.256 1.00 0.83 C ATOM 849 C LEU A 55 0.346 -2.775 9.703 1.00 1.22 C ATOM 850 O LEU A 55 -0.053 -1.653 10.029 1.00 1.43 O ATOM 851 CB LEU A 55 -1.249 -3.917 8.121 1.00 0.82 C ATOM 852 CG LEU A 55 -1.977 -3.777 6.768 1.00 1.14 C ATOM 853 CD1 LEU A 55 -2.519 -2.352 6.588 1.00 3.05 C ATOM 854 CD2 LEU A 55 -1.145 -4.158 5.536 1.00 1.67 C ATOM 0 H LEU A 55 0.901 -5.081 7.560 1.00 0.88 H new ATOM 0 HA LEU A 55 0.155 -2.354 7.625 1.00 0.83 H new ATOM 0 HB2 LEU A 55 -1.125 -4.980 8.329 1.00 0.82 H new ATOM 0 HB3 LEU A 55 -1.900 -3.515 8.897 1.00 0.82 H new ATOM 0 HG LEU A 55 -2.790 -4.501 6.821 1.00 1.14 H new ATOM 0 HD11 LEU A 55 -3.029 -2.275 5.628 1.00 3.05 H new ATOM 0 HD12 LEU A 55 -3.221 -2.126 7.390 1.00 3.05 H new ATOM 0 HD13 LEU A 55 -1.693 -1.642 6.618 1.00 3.05 H new ATOM 0 HD21 LEU A 55 -1.746 -4.025 4.636 1.00 1.67 H new ATOM 0 HD22 LEU A 55 -0.263 -3.520 5.481 1.00 1.67 H new ATOM 0 HD23 LEU A 55 -0.835 -5.200 5.615 1.00 1.67 H new ATOM 866 N LEU A 56 0.997 -3.570 10.564 1.00 0.83 N ATOM 867 CA LEU A 56 1.386 -3.114 11.898 1.00 0.88 C ATOM 868 C LEU A 56 2.489 -2.056 11.823 1.00 1.32 C ATOM 869 O LEU A 56 2.386 -1.055 12.533 1.00 1.42 O ATOM 870 CB LEU A 56 1.768 -4.323 12.779 1.00 0.92 C ATOM 871 CG LEU A 56 2.040 -3.959 14.254 1.00 1.30 C ATOM 872 CD1 LEU A 56 1.535 -5.076 15.180 1.00 1.46 C ATOM 873 CD2 LEU A 56 3.535 -3.731 14.523 1.00 1.97 C ATOM 0 H LEU A 56 1.264 -4.532 10.356 1.00 0.83 H new ATOM 0 HA LEU A 56 0.535 -2.625 12.371 1.00 0.88 H new ATOM 0 HB2 LEU A 56 0.964 -5.058 12.738 1.00 0.92 H new ATOM 0 HB3 LEU A 56 2.656 -4.798 12.362 1.00 0.92 H new ATOM 0 HG LEU A 56 1.506 -3.031 14.457 1.00 1.30 H new ATOM 0 HD11 LEU A 56 1.733 -4.806 16.217 1.00 1.46 H new ATOM 0 HD12 LEU A 56 0.462 -5.209 15.038 1.00 1.46 H new ATOM 0 HD13 LEU A 56 2.050 -6.007 14.942 1.00 1.46 H new ATOM 0 HD21 LEU A 56 3.681 -3.477 15.573 1.00 1.97 H new ATOM 0 HD22 LEU A 56 4.090 -4.640 14.289 1.00 1.97 H new ATOM 0 HD23 LEU A 56 3.897 -2.914 13.899 1.00 1.97 H new ATOM 885 N ALA A 57 3.504 -2.219 10.971 1.00 1.01 N ATOM 886 CA ALA A 57 4.561 -1.216 10.805 1.00 1.10 C ATOM 887 C ALA A 57 4.056 0.096 10.179 1.00 1.23 C ATOM 888 O ALA A 57 4.399 1.184 10.655 1.00 1.46 O ATOM 889 CB ALA A 57 5.675 -1.833 9.975 1.00 1.16 C ATOM 0 H ALA A 57 3.617 -3.043 10.381 1.00 1.01 H new ATOM 0 HA ALA A 57 4.932 -0.937 11.791 1.00 1.10 H new ATOM 0 HB1 ALA A 57 6.474 -1.104 9.838 1.00 1.16 H new ATOM 0 HB2 ALA A 57 6.068 -2.710 10.489 1.00 1.16 H new ATOM 0 HB3 ALA A 57 5.283 -2.128 9.002 1.00 1.16 H new ATOM 895 N LEU A 58 3.195 -0.001 9.155 1.00 1.04 N ATOM 896 CA LEU A 58 2.496 1.135 8.546 1.00 1.05 C ATOM 897 C LEU A 58 1.722 1.929 9.604 1.00 1.34 C ATOM 898 O LEU A 58 1.892 3.146 9.707 1.00 1.53 O ATOM 899 CB LEU A 58 1.557 0.620 7.435 1.00 1.03 C ATOM 900 CG LEU A 58 2.271 0.168 6.141 1.00 1.20 C ATOM 901 CD1 LEU A 58 1.285 -0.584 5.235 1.00 1.34 C ATOM 902 CD2 LEU A 58 2.828 1.365 5.366 1.00 1.70 C ATOM 0 H LEU A 58 2.962 -0.893 8.719 1.00 1.04 H new ATOM 0 HA LEU A 58 3.227 1.812 8.104 1.00 1.05 H new ATOM 0 HB2 LEU A 58 0.979 -0.218 7.826 1.00 1.03 H new ATOM 0 HB3 LEU A 58 0.847 1.408 7.185 1.00 1.03 H new ATOM 0 HG LEU A 58 3.096 -0.484 6.430 1.00 1.20 H new ATOM 0 HD11 LEU A 58 1.795 -0.900 4.325 1.00 1.34 H new ATOM 0 HD12 LEU A 58 0.904 -1.460 5.760 1.00 1.34 H new ATOM 0 HD13 LEU A 58 0.455 0.073 4.976 1.00 1.34 H new ATOM 0 HD21 LEU A 58 3.324 1.014 4.461 1.00 1.70 H new ATOM 0 HD22 LEU A 58 2.012 2.035 5.096 1.00 1.70 H new ATOM 0 HD23 LEU A 58 3.545 1.900 5.989 1.00 1.70 H new ATOM 914 N LYS A 59 0.923 1.263 10.446 1.00 0.91 N ATOM 915 CA LYS A 59 0.219 1.968 11.525 1.00 0.89 C ATOM 916 C LYS A 59 1.157 2.462 12.644 1.00 1.08 C ATOM 917 O LYS A 59 0.908 3.528 13.204 1.00 1.10 O ATOM 918 CB LYS A 59 -1.038 1.181 11.965 1.00 1.02 C ATOM 919 CG LYS A 59 -0.935 0.096 13.046 1.00 1.00 C ATOM 920 CD LYS A 59 -0.746 0.661 14.455 1.00 1.32 C ATOM 921 CE LYS A 59 -1.145 -0.344 15.537 1.00 1.11 C ATOM 922 NZ LYS A 59 -1.105 0.291 16.878 1.00 1.81 N ATOM 0 H LYS A 59 0.749 0.259 10.405 1.00 0.91 H new ATOM 0 HA LYS A 59 -0.169 2.910 11.137 1.00 0.89 H new ATOM 0 HB2 LYS A 59 -1.771 1.911 12.309 1.00 1.02 H new ATOM 0 HB3 LYS A 59 -1.452 0.710 11.074 1.00 1.02 H new ATOM 0 HG2 LYS A 59 -1.838 -0.515 13.025 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -0.099 -0.563 12.811 1.00 1.00 H new ATOM 0 HD2 LYS A 59 0.297 0.947 14.593 1.00 1.32 H new ATOM 0 HD3 LYS A 59 -1.342 1.567 14.565 1.00 1.32 H new ATOM 0 HE2 LYS A 59 -2.147 -0.723 15.338 1.00 1.11 H new ATOM 0 HE3 LYS A 59 -0.470 -1.200 15.513 1.00 1.11 H new ATOM 0 HZ1 LYS A 59 -1.395 -0.401 17.598 1.00 1.81 H new ATOM 0 HZ2 LYS A 59 -0.138 0.616 17.079 1.00 1.81 H new ATOM 0 HZ3 LYS A 59 -1.754 1.103 16.897 1.00 1.81 H new ATOM 936 N ARG A 60 2.269 1.768 12.932 1.00 0.95 N ATOM 937 CA ARG A 60 3.294 2.239 13.884 1.00 1.03 C ATOM 938 C ARG A 60 3.945 3.554 13.438 1.00 1.46 C ATOM 939 O ARG A 60 4.196 4.407 14.285 1.00 1.46 O ATOM 940 CB ARG A 60 4.389 1.181 14.086 1.00 1.21 C ATOM 941 CG ARG A 60 4.004 -0.009 14.979 1.00 1.31 C ATOM 942 CD ARG A 60 4.365 0.179 16.455 1.00 1.48 C ATOM 943 NE ARG A 60 3.354 0.947 17.201 1.00 2.30 N ATOM 944 CZ ARG A 60 3.314 1.118 18.517 1.00 3.21 C ATOM 945 NH1 ARG A 60 4.327 0.763 19.280 1.00 3.19 N ATOM 946 NH2 ARG A 60 2.252 1.652 19.082 1.00 4.62 N ATOM 0 H ARG A 60 2.485 0.864 12.513 1.00 0.95 H new ATOM 0 HA ARG A 60 2.775 2.415 14.826 1.00 1.03 H new ATOM 0 HB2 ARG A 60 4.685 0.799 13.109 1.00 1.21 H new ATOM 0 HB3 ARG A 60 5.264 1.667 14.516 1.00 1.21 H new ATOM 0 HG2 ARG A 60 2.931 -0.180 14.897 1.00 1.31 H new ATOM 0 HG3 ARG A 60 4.499 -0.906 14.606 1.00 1.31 H new ATOM 0 HD2 ARG A 60 4.487 -0.799 16.921 1.00 1.48 H new ATOM 0 HD3 ARG A 60 5.326 0.688 16.526 1.00 1.48 H new ATOM 0 HE ARG A 60 2.615 1.389 16.655 1.00 2.30 H new ATOM 0 HH11 ARG A 60 5.160 0.349 18.862 1.00 3.19 H new ATOM 0 HH12 ARG A 60 4.278 0.902 20.289 1.00 3.19 H new ATOM 0 HH21 ARG A 60 1.457 1.935 18.509 1.00 4.62 H new ATOM 0 HH22 ARG A 60 2.224 1.782 20.093 1.00 4.62 H new ATOM 960 N ALA A 61 4.204 3.742 12.139 1.00 1.06 N ATOM 961 CA ALA A 61 4.699 5.013 11.600 1.00 1.09 C ATOM 962 C ALA A 61 3.660 6.138 11.748 1.00 1.14 C ATOM 963 O ALA A 61 4.007 7.231 12.187 1.00 1.23 O ATOM 964 CB ALA A 61 5.123 4.794 10.142 1.00 1.16 C ATOM 0 H ALA A 61 4.076 3.018 11.432 1.00 1.06 H new ATOM 0 HA ALA A 61 5.566 5.341 12.173 1.00 1.09 H new ATOM 0 HB1 ALA A 61 5.494 5.731 9.726 1.00 1.16 H new ATOM 0 HB2 ALA A 61 5.911 4.042 10.101 1.00 1.16 H new ATOM 0 HB3 ALA A 61 4.266 4.453 9.561 1.00 1.16 H new ATOM 970 N TYR A 62 2.381 5.853 11.478 1.00 0.96 N ATOM 971 CA TYR A 62 1.274 6.795 11.700 1.00 1.00 C ATOM 972 C TYR A 62 1.109 7.199 13.185 1.00 1.24 C ATOM 973 O TYR A 62 0.860 8.368 13.475 1.00 1.40 O ATOM 974 CB TYR A 62 -0.007 6.185 11.100 1.00 1.07 C ATOM 975 CG TYR A 62 -1.244 7.063 11.162 1.00 1.63 C ATOM 976 CD1 TYR A 62 -1.894 7.267 12.393 1.00 2.49 C ATOM 977 CD2 TYR A 62 -1.773 7.648 9.992 1.00 2.24 C ATOM 978 CE1 TYR A 62 -3.032 8.083 12.471 1.00 3.05 C ATOM 979 CE2 TYR A 62 -2.941 8.436 10.056 1.00 2.69 C ATOM 980 CZ TYR A 62 -3.567 8.661 11.303 1.00 2.82 C ATOM 981 OH TYR A 62 -4.678 9.439 11.397 1.00 3.49 O ATOM 0 H TYR A 62 2.081 4.956 11.096 1.00 0.96 H new ATOM 0 HA TYR A 62 1.498 7.734 11.193 1.00 1.00 H new ATOM 0 HB2 TYR A 62 0.186 5.933 10.057 1.00 1.07 H new ATOM 0 HB3 TYR A 62 -0.220 5.251 11.619 1.00 1.07 H new ATOM 0 HD1 TYR A 62 -1.514 6.791 13.285 1.00 2.49 H new ATOM 0 HD2 TYR A 62 -1.281 7.492 9.043 1.00 2.24 H new ATOM 0 HE1 TYR A 62 -3.499 8.268 13.427 1.00 3.05 H new ATOM 0 HE2 TYR A 62 -3.355 8.866 9.156 1.00 2.69 H new ATOM 0 HH TYR A 62 -4.603 10.023 12.180 1.00 3.49 H new ATOM 991 N GLU A 63 1.295 6.260 14.126 1.00 1.01 N ATOM 992 CA GLU A 63 1.256 6.508 15.580 1.00 1.21 C ATOM 993 C GLU A 63 2.401 7.415 16.058 1.00 1.49 C ATOM 994 O GLU A 63 2.283 8.049 17.105 1.00 1.79 O ATOM 995 CB GLU A 63 1.344 5.175 16.353 1.00 1.49 C ATOM 996 CG GLU A 63 0.051 4.351 16.363 1.00 1.58 C ATOM 997 CD GLU A 63 0.280 2.996 17.040 1.00 2.21 C ATOM 998 OE1 GLU A 63 0.990 2.125 16.493 1.00 3.15 O ATOM 999 OE2 GLU A 63 -0.274 2.682 18.113 1.00 2.71 O ATOM 0 H GLU A 63 1.481 5.284 13.894 1.00 1.01 H new ATOM 0 HA GLU A 63 0.310 7.012 15.778 1.00 1.21 H new ATOM 0 HB2 GLU A 63 2.140 4.571 15.918 1.00 1.49 H new ATOM 0 HB3 GLU A 63 1.631 5.387 17.383 1.00 1.49 H new ATOM 0 HG2 GLU A 63 -0.731 4.899 16.889 1.00 1.58 H new ATOM 0 HG3 GLU A 63 -0.298 4.199 15.341 1.00 1.58 H new ATOM 1006 N LYS A 64 3.519 7.465 15.323 1.00 1.15 N ATOM 1007 CA LYS A 64 4.729 8.168 15.752 1.00 1.20 C ATOM 1008 C LYS A 64 4.880 9.585 15.164 1.00 1.38 C ATOM 1009 O LYS A 64 5.745 10.340 15.615 1.00 1.60 O ATOM 1010 CB LYS A 64 5.941 7.265 15.450 1.00 1.19 C ATOM 1011 CG LYS A 64 6.989 7.387 16.560 1.00 1.62 C ATOM 1012 CD LYS A 64 8.203 6.479 16.325 1.00 2.48 C ATOM 1013 CE LYS A 64 9.026 6.434 17.617 1.00 3.04 C ATOM 1014 NZ LYS A 64 10.306 5.718 17.429 1.00 4.19 N ATOM 0 H LYS A 64 3.607 7.017 14.411 1.00 1.15 H new ATOM 0 HA LYS A 64 4.658 8.349 16.825 1.00 1.20 H new ATOM 0 HB2 LYS A 64 5.616 6.228 15.360 1.00 1.19 H new ATOM 0 HB3 LYS A 64 6.382 7.545 14.493 1.00 1.19 H new ATOM 0 HG2 LYS A 64 7.322 8.423 16.628 1.00 1.62 H new ATOM 0 HG3 LYS A 64 6.531 7.135 17.517 1.00 1.62 H new ATOM 0 HD2 LYS A 64 7.879 5.476 16.046 1.00 2.48 H new ATOM 0 HD3 LYS A 64 8.808 6.859 15.502 1.00 2.48 H new ATOM 0 HE2 LYS A 64 9.225 7.450 17.957 1.00 3.04 H new ATOM 0 HE3 LYS A 64 8.447 5.944 18.400 1.00 3.04 H new ATOM 0 HZ1 LYS A 64 10.738 5.530 18.356 1.00 4.19 H new ATOM 0 HZ2 LYS A 64 10.131 4.817 16.940 1.00 4.19 H new ATOM 0 HZ3 LYS A 64 10.950 6.302 16.859 1.00 4.19 H new ATOM 1028 N LEU A 65 4.056 9.977 14.185 1.00 1.29 N ATOM 1029 CA LEU A 65 4.004 11.335 13.623 1.00 1.33 C ATOM 1030 C LEU A 65 2.895 12.166 14.307 1.00 1.49 C ATOM 1031 O LEU A 65 1.887 11.602 14.733 1.00 1.69 O ATOM 1032 CB LEU A 65 3.953 11.269 12.078 1.00 1.76 C ATOM 1033 CG LEU A 65 2.880 10.376 11.416 1.00 1.15 C ATOM 1034 CD1 LEU A 65 1.502 11.039 11.334 1.00 2.03 C ATOM 1035 CD2 LEU A 65 3.323 10.018 9.990 1.00 2.04 C ATOM 0 H LEU A 65 3.388 9.342 13.749 1.00 1.29 H new ATOM 0 HA LEU A 65 4.919 11.883 13.845 1.00 1.33 H new ATOM 0 HB2 LEU A 65 3.815 12.284 11.707 1.00 1.76 H new ATOM 0 HB3 LEU A 65 4.928 10.931 11.728 1.00 1.76 H new ATOM 0 HG LEU A 65 2.785 9.491 12.046 1.00 1.15 H new ATOM 0 HD11 LEU A 65 0.798 10.357 10.859 1.00 2.03 H new ATOM 0 HD12 LEU A 65 1.153 11.279 12.338 1.00 2.03 H new ATOM 0 HD13 LEU A 65 1.573 11.954 10.747 1.00 2.03 H new ATOM 0 HD21 LEU A 65 2.567 9.388 9.522 1.00 2.04 H new ATOM 0 HD22 LEU A 65 3.446 10.931 9.407 1.00 2.04 H new ATOM 0 HD23 LEU A 65 4.271 9.481 10.027 1.00 2.04 H new ATOM 1047 N PRO A 66 3.061 13.495 14.457 1.00 1.25 N ATOM 1048 CA PRO A 66 2.166 14.306 15.274 1.00 1.31 C ATOM 1049 C PRO A 66 0.781 14.401 14.623 1.00 1.38 C ATOM 1050 O PRO A 66 0.670 14.171 13.412 1.00 1.19 O ATOM 1051 CB PRO A 66 2.846 15.679 15.377 1.00 1.47 C ATOM 1052 CG PRO A 66 3.607 15.776 14.060 1.00 1.48 C ATOM 1053 CD PRO A 66 4.068 14.341 13.834 1.00 1.38 C ATOM 0 HA PRO A 66 2.001 13.876 16.262 1.00 1.31 H new ATOM 0 HB2 PRO A 66 2.119 16.484 15.485 1.00 1.47 H new ATOM 0 HB3 PRO A 66 3.514 15.736 16.236 1.00 1.47 H new ATOM 0 HG2 PRO A 66 2.970 16.129 13.249 1.00 1.48 H new ATOM 0 HG3 PRO A 66 4.448 16.466 14.128 1.00 1.48 H new ATOM 0 HD2 PRO A 66 4.157 14.123 12.770 1.00 1.38 H new ATOM 0 HD3 PRO A 66 5.049 14.172 14.278 1.00 1.38 H new ATOM 1061 N PRO A 67 -0.258 14.819 15.380 1.00 1.24 N ATOM 1062 CA PRO A 67 -1.593 15.053 14.842 1.00 1.35 C ATOM 1063 C PRO A 67 -1.558 15.945 13.596 1.00 1.48 C ATOM 1064 O PRO A 67 -2.273 15.667 12.637 1.00 1.53 O ATOM 1065 CB PRO A 67 -2.417 15.664 15.983 1.00 1.57 C ATOM 1066 CG PRO A 67 -1.376 16.152 16.987 1.00 1.62 C ATOM 1067 CD PRO A 67 -0.232 15.164 16.795 1.00 1.41 C ATOM 0 HA PRO A 67 -2.048 14.123 14.502 1.00 1.35 H new ATOM 0 HB2 PRO A 67 -3.040 16.484 15.627 1.00 1.57 H new ATOM 0 HB3 PRO A 67 -3.084 14.927 16.430 1.00 1.57 H new ATOM 0 HG2 PRO A 67 -1.065 17.176 16.781 1.00 1.62 H new ATOM 0 HG3 PRO A 67 -1.759 16.134 18.007 1.00 1.62 H new ATOM 0 HD2 PRO A 67 0.723 15.609 17.074 1.00 1.41 H new ATOM 0 HD3 PRO A 67 -0.367 14.280 17.418 1.00 1.41 H new ATOM 1075 N LYS A 68 -0.650 16.931 13.542 1.00 1.30 N ATOM 1076 CA LYS A 68 -0.599 17.901 12.438 1.00 1.36 C ATOM 1077 C LYS A 68 -0.013 17.303 11.143 1.00 1.50 C ATOM 1078 O LYS A 68 -0.228 17.821 10.050 1.00 1.58 O ATOM 1079 CB LYS A 68 0.156 19.167 12.908 1.00 1.54 C ATOM 1080 CG LYS A 68 -0.663 20.457 12.719 1.00 1.93 C ATOM 1081 CD LYS A 68 -0.749 20.937 11.258 1.00 2.46 C ATOM 1082 CE LYS A 68 -1.671 22.159 11.129 1.00 2.95 C ATOM 1083 NZ LYS A 68 -3.095 21.750 11.077 1.00 2.95 N ATOM 0 H LYS A 68 0.064 17.078 14.256 1.00 1.30 H new ATOM 0 HA LYS A 68 -1.619 18.181 12.175 1.00 1.36 H new ATOM 0 HB2 LYS A 68 0.416 19.059 13.961 1.00 1.54 H new ATOM 0 HB3 LYS A 68 1.092 19.252 12.355 1.00 1.54 H new ATOM 0 HG2 LYS A 68 -1.672 20.293 13.097 1.00 1.93 H new ATOM 0 HG3 LYS A 68 -0.221 21.248 13.325 1.00 1.93 H new ATOM 0 HD2 LYS A 68 0.248 21.190 10.896 1.00 2.46 H new ATOM 0 HD3 LYS A 68 -1.121 20.129 10.628 1.00 2.46 H new ATOM 0 HE2 LYS A 68 -1.512 22.829 11.974 1.00 2.95 H new ATOM 0 HE3 LYS A 68 -1.417 22.717 10.228 1.00 2.95 H new ATOM 0 HZ1 LYS A 68 -3.701 22.587 11.195 1.00 2.95 H new ATOM 0 HZ2 LYS A 68 -3.295 21.304 10.159 1.00 2.95 H new ATOM 0 HZ3 LYS A 68 -3.289 21.072 11.841 1.00 2.95 H new ATOM 1097 N ALA A 69 0.757 16.216 11.249 1.00 1.14 N ATOM 1098 CA ALA A 69 1.132 15.412 10.093 1.00 1.08 C ATOM 1099 C ALA A 69 -0.017 14.526 9.600 1.00 1.21 C ATOM 1100 O ALA A 69 -0.270 14.505 8.400 1.00 1.41 O ATOM 1101 CB ALA A 69 2.398 14.615 10.404 1.00 1.10 C ATOM 0 H ALA A 69 1.133 15.874 12.134 1.00 1.14 H new ATOM 0 HA ALA A 69 1.351 16.085 9.264 1.00 1.08 H new ATOM 0 HB1 ALA A 69 2.673 14.016 9.536 1.00 1.10 H new ATOM 0 HB2 ALA A 69 3.210 15.301 10.644 1.00 1.10 H new ATOM 0 HB3 ALA A 69 2.215 13.958 11.255 1.00 1.10 H new ATOM 1107 N GLN A 70 -0.707 13.791 10.477 1.00 0.99 N ATOM 1108 CA GLN A 70 -1.659 12.764 10.026 1.00 1.05 C ATOM 1109 C GLN A 70 -2.847 13.322 9.232 1.00 1.13 C ATOM 1110 O GLN A 70 -3.321 12.626 8.340 1.00 1.46 O ATOM 1111 CB GLN A 70 -2.090 11.814 11.150 1.00 1.27 C ATOM 1112 CG GLN A 70 -2.350 12.444 12.515 1.00 1.47 C ATOM 1113 CD GLN A 70 -2.540 11.378 13.585 1.00 1.94 C ATOM 1114 OE1 GLN A 70 -3.614 10.824 13.762 1.00 2.16 O ATOM 1115 NE2 GLN A 70 -1.500 11.022 14.313 1.00 3.07 N ATOM 0 H GLN A 70 -0.629 13.883 11.490 1.00 0.99 H new ATOM 0 HA GLN A 70 -1.100 12.159 9.312 1.00 1.05 H new ATOM 0 HB2 GLN A 70 -2.998 11.301 10.833 1.00 1.27 H new ATOM 0 HB3 GLN A 70 -1.319 11.053 11.267 1.00 1.27 H new ATOM 0 HG2 GLN A 70 -1.515 13.090 12.786 1.00 1.47 H new ATOM 0 HG3 GLN A 70 -3.237 13.075 12.464 1.00 1.47 H new ATOM 0 HE21 GLN A 70 -0.599 11.479 14.173 1.00 3.07 H new ATOM 0 HE22 GLN A 70 -1.597 10.290 15.017 1.00 3.07 H new ATOM 1124 N GLU A 71 -3.209 14.602 9.411 1.00 1.08 N ATOM 1125 CA GLU A 71 -4.163 15.377 8.581 1.00 1.26 C ATOM 1126 C GLU A 71 -4.006 15.163 7.066 1.00 1.44 C ATOM 1127 O GLU A 71 -4.968 15.249 6.299 1.00 1.76 O ATOM 1128 CB GLU A 71 -3.975 16.895 8.799 1.00 1.37 C ATOM 1129 CG GLU A 71 -3.709 17.284 10.253 1.00 1.75 C ATOM 1130 CD GLU A 71 -3.696 18.793 10.508 1.00 2.42 C ATOM 1131 OE1 GLU A 71 -3.523 19.586 9.559 1.00 2.75 O ATOM 1132 OE2 GLU A 71 -3.735 19.215 11.685 1.00 3.41 O ATOM 0 H GLU A 71 -2.828 15.159 10.176 1.00 1.08 H new ATOM 0 HA GLU A 71 -5.140 15.015 8.901 1.00 1.26 H new ATOM 0 HB2 GLU A 71 -3.145 17.240 8.183 1.00 1.37 H new ATOM 0 HB3 GLU A 71 -4.868 17.415 8.452 1.00 1.37 H new ATOM 0 HG2 GLU A 71 -4.471 16.827 10.885 1.00 1.75 H new ATOM 0 HG3 GLU A 71 -2.749 16.867 10.559 1.00 1.75 H new ATOM 1139 N ARG A 72 -2.762 14.902 6.641 1.00 1.15 N ATOM 1140 CA ARG A 72 -2.391 14.635 5.259 1.00 1.28 C ATOM 1141 C ARG A 72 -1.786 13.251 5.004 1.00 1.37 C ATOM 1142 O ARG A 72 -1.264 13.058 3.913 1.00 1.60 O ATOM 1143 CB ARG A 72 -1.613 15.828 4.674 1.00 1.96 C ATOM 1144 CG ARG A 72 -0.461 16.382 5.516 1.00 1.49 C ATOM 1145 CD ARG A 72 0.728 15.428 5.632 1.00 1.58 C ATOM 1146 NE ARG A 72 1.850 16.065 6.340 1.00 2.27 N ATOM 1147 CZ ARG A 72 2.880 16.675 5.766 1.00 3.05 C ATOM 1148 NH1 ARG A 72 2.955 16.874 4.471 1.00 3.49 N ATOM 1149 NH2 ARG A 72 3.912 17.080 6.474 1.00 4.23 N ATOM 0 H ARG A 72 -1.965 14.872 7.277 1.00 1.15 H new ATOM 0 HA ARG A 72 -3.313 14.557 4.683 1.00 1.28 H new ATOM 0 HB2 ARG A 72 -1.212 15.530 3.705 1.00 1.96 H new ATOM 0 HB3 ARG A 72 -2.320 16.637 4.491 1.00 1.96 H new ATOM 0 HG2 ARG A 72 -0.121 17.321 5.078 1.00 1.49 H new ATOM 0 HG3 ARG A 72 -0.831 16.612 6.515 1.00 1.49 H new ATOM 0 HD2 ARG A 72 0.424 14.526 6.163 1.00 1.58 H new ATOM 0 HD3 ARG A 72 1.049 15.120 4.637 1.00 1.58 H new ATOM 0 HE ARG A 72 1.835 16.035 7.359 1.00 2.27 H new ATOM 0 HH11 ARG A 72 2.202 16.555 3.862 1.00 3.49 H new ATOM 0 HH12 ARG A 72 3.766 17.348 4.074 1.00 3.49 H new ATOM 0 HH21 ARG A 72 3.930 16.927 7.482 1.00 4.23 H new ATOM 0 HH22 ARG A 72 4.694 17.547 6.015 1.00 4.23 H new ATOM 1163 N VAL A 73 -1.868 12.298 5.934 1.00 1.03 N ATOM 1164 CA VAL A 73 -1.431 10.897 5.740 1.00 1.03 C ATOM 1165 C VAL A 73 -2.649 9.975 5.644 1.00 1.27 C ATOM 1166 O VAL A 73 -3.593 10.109 6.418 1.00 1.62 O ATOM 1167 CB VAL A 73 -0.495 10.407 6.875 1.00 1.15 C ATOM 1168 CG1 VAL A 73 -0.023 8.956 6.666 1.00 1.39 C ATOM 1169 CG2 VAL A 73 0.752 11.301 6.971 1.00 2.15 C ATOM 0 H VAL A 73 -2.246 12.473 6.865 1.00 1.03 H new ATOM 0 HA VAL A 73 -0.864 10.864 4.809 1.00 1.03 H new ATOM 0 HB VAL A 73 -1.081 10.458 7.793 1.00 1.15 H new ATOM 0 HG11 VAL A 73 0.629 8.664 7.489 1.00 1.39 H new ATOM 0 HG12 VAL A 73 -0.888 8.293 6.635 1.00 1.39 H new ATOM 0 HG13 VAL A 73 0.524 8.883 5.726 1.00 1.39 H new ATOM 0 HG21 VAL A 73 1.397 10.941 7.773 1.00 2.15 H new ATOM 0 HG22 VAL A 73 1.296 11.270 6.027 1.00 2.15 H new ATOM 0 HG23 VAL A 73 0.449 12.327 7.181 1.00 2.15 H new ATOM 1179 N GLN A 74 -2.620 9.029 4.699 1.00 0.81 N ATOM 1180 CA GLN A 74 -3.627 7.978 4.518 1.00 0.80 C ATOM 1181 C GLN A 74 -2.905 6.656 4.147 1.00 0.98 C ATOM 1182 O GLN A 74 -1.719 6.686 3.821 1.00 1.32 O ATOM 1183 CB GLN A 74 -4.656 8.467 3.469 1.00 0.92 C ATOM 1184 CG GLN A 74 -6.092 7.930 3.657 1.00 1.48 C ATOM 1185 CD GLN A 74 -6.255 6.458 3.276 1.00 3.08 C ATOM 1186 OE1 GLN A 74 -5.760 6.011 2.263 1.00 4.42 O ATOM 1187 NE2 GLN A 74 -6.805 5.592 4.108 1.00 4.07 N ATOM 0 H GLN A 74 -1.866 8.972 4.014 1.00 0.81 H new ATOM 0 HA GLN A 74 -4.187 7.771 5.430 1.00 0.80 H new ATOM 0 HB2 GLN A 74 -4.686 9.556 3.494 1.00 0.92 H new ATOM 0 HB3 GLN A 74 -4.305 8.180 2.478 1.00 0.92 H new ATOM 0 HG2 GLN A 74 -6.385 8.061 4.699 1.00 1.48 H new ATOM 0 HG3 GLN A 74 -6.776 8.529 3.056 1.00 1.48 H new ATOM 0 HE21 GLN A 74 -7.234 5.919 4.974 1.00 4.07 H new ATOM 0 HE22 GLN A 74 -6.800 4.597 3.885 1.00 4.07 H new ATOM 1196 N VAL A 75 -3.568 5.498 4.246 1.00 0.77 N ATOM 1197 CA VAL A 75 -2.983 4.166 4.006 1.00 0.68 C ATOM 1198 C VAL A 75 -3.996 3.273 3.282 1.00 0.78 C ATOM 1199 O VAL A 75 -5.145 3.140 3.724 1.00 1.06 O ATOM 1200 CB VAL A 75 -2.522 3.471 5.313 1.00 0.84 C ATOM 1201 CG1 VAL A 75 -1.771 2.157 5.024 1.00 0.90 C ATOM 1202 CG2 VAL A 75 -1.621 4.366 6.183 1.00 1.20 C ATOM 0 H VAL A 75 -4.554 5.456 4.502 1.00 0.77 H new ATOM 0 HA VAL A 75 -2.099 4.314 3.386 1.00 0.68 H new ATOM 0 HB VAL A 75 -3.439 3.262 5.864 1.00 0.84 H new ATOM 0 HG11 VAL A 75 -1.464 1.699 5.964 1.00 0.90 H new ATOM 0 HG12 VAL A 75 -2.427 1.474 4.485 1.00 0.90 H new ATOM 0 HG13 VAL A 75 -0.890 2.367 4.418 1.00 0.90 H new ATOM 0 HG21 VAL A 75 -1.331 3.825 7.083 1.00 1.20 H new ATOM 0 HG22 VAL A 75 -0.728 4.640 5.621 1.00 1.20 H new ATOM 0 HG23 VAL A 75 -2.165 5.268 6.462 1.00 1.20 H new ATOM 1212 N ILE A 76 -3.553 2.644 2.191 1.00 0.55 N ATOM 1213 CA ILE A 76 -4.334 1.730 1.352 1.00 0.58 C ATOM 1214 C ILE A 76 -3.697 0.330 1.349 1.00 0.92 C ATOM 1215 O ILE A 76 -2.514 0.159 1.022 1.00 1.24 O ATOM 1216 CB ILE A 76 -4.412 2.273 -0.095 1.00 0.72 C ATOM 1217 CG1 ILE A 76 -4.922 3.729 -0.217 1.00 1.00 C ATOM 1218 CG2 ILE A 76 -5.265 1.348 -0.983 1.00 0.84 C ATOM 1219 CD1 ILE A 76 -6.396 3.948 0.132 1.00 1.48 C ATOM 0 H ILE A 76 -2.598 2.763 1.853 1.00 0.55 H new ATOM 0 HA ILE A 76 -5.341 1.658 1.762 1.00 0.58 H new ATOM 0 HB ILE A 76 -3.379 2.286 -0.442 1.00 0.72 H new ATOM 0 HG12 ILE A 76 -4.316 4.362 0.431 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -4.756 4.068 -1.239 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -5.305 1.751 -1.995 1.00 0.84 H new ATOM 0 HG22 ILE A 76 -4.820 0.353 -1.006 1.00 0.84 H new ATOM 0 HG23 ILE A 76 -6.275 1.284 -0.578 1.00 0.84 H new ATOM 0 HD11 ILE A 76 -6.646 5.002 0.012 1.00 1.48 H new ATOM 0 HD12 ILE A 76 -7.020 3.350 -0.532 1.00 1.48 H new ATOM 0 HD13 ILE A 76 -6.574 3.648 1.165 1.00 1.48 H new ATOM 1231 N PHE A 77 -4.524 -0.689 1.597 1.00 0.64 N ATOM 1232 CA PHE A 77 -4.221 -2.073 1.233 1.00 0.59 C ATOM 1233 C PHE A 77 -4.919 -2.410 -0.093 1.00 1.35 C ATOM 1234 O PHE A 77 -6.144 -2.336 -0.184 1.00 1.74 O ATOM 1235 CB PHE A 77 -4.690 -3.014 2.351 1.00 0.61 C ATOM 1236 CG PHE A 77 -4.406 -4.469 2.041 1.00 0.74 C ATOM 1237 CD1 PHE A 77 -3.076 -4.928 2.025 1.00 2.21 C ATOM 1238 CD2 PHE A 77 -5.452 -5.341 1.689 1.00 1.96 C ATOM 1239 CE1 PHE A 77 -2.794 -6.258 1.669 1.00 2.30 C ATOM 1240 CE2 PHE A 77 -5.168 -6.668 1.325 1.00 1.84 C ATOM 1241 CZ PHE A 77 -3.842 -7.129 1.323 1.00 1.01 C ATOM 0 H PHE A 77 -5.427 -0.575 2.058 1.00 0.64 H new ATOM 0 HA PHE A 77 -3.146 -2.199 1.106 1.00 0.59 H new ATOM 0 HB2 PHE A 77 -4.195 -2.741 3.283 1.00 0.61 H new ATOM 0 HB3 PHE A 77 -5.760 -2.881 2.508 1.00 0.61 H new ATOM 0 HD1 PHE A 77 -2.271 -4.257 2.287 1.00 2.21 H new ATOM 0 HD2 PHE A 77 -6.474 -4.991 1.699 1.00 1.96 H new ATOM 0 HE1 PHE A 77 -1.773 -6.611 1.661 1.00 2.30 H new ATOM 0 HE2 PHE A 77 -5.971 -7.334 1.046 1.00 1.84 H new ATOM 0 HZ PHE A 77 -3.627 -8.153 1.056 1.00 1.01 H new ATOM 1251 N VAL A 78 -4.142 -2.755 -1.118 1.00 0.54 N ATOM 1252 CA VAL A 78 -4.666 -3.146 -2.435 1.00 0.55 C ATOM 1253 C VAL A 78 -4.655 -4.670 -2.543 1.00 0.80 C ATOM 1254 O VAL A 78 -3.618 -5.307 -2.345 1.00 1.02 O ATOM 1255 CB VAL A 78 -3.880 -2.504 -3.602 1.00 0.69 C ATOM 1256 CG1 VAL A 78 -4.536 -2.822 -4.957 1.00 0.97 C ATOM 1257 CG2 VAL A 78 -3.836 -0.974 -3.455 1.00 1.19 C ATOM 0 H VAL A 78 -3.124 -2.773 -1.063 1.00 0.54 H new ATOM 0 HA VAL A 78 -5.688 -2.775 -2.518 1.00 0.55 H new ATOM 0 HB VAL A 78 -2.873 -2.919 -3.568 1.00 0.69 H new ATOM 0 HG11 VAL A 78 -3.961 -2.357 -5.758 1.00 0.97 H new ATOM 0 HG12 VAL A 78 -4.558 -3.902 -5.106 1.00 0.97 H new ATOM 0 HG13 VAL A 78 -5.554 -2.433 -4.969 1.00 0.97 H new ATOM 0 HG21 VAL A 78 -3.278 -0.544 -4.287 1.00 1.19 H new ATOM 0 HG22 VAL A 78 -4.852 -0.579 -3.457 1.00 1.19 H new ATOM 0 HG23 VAL A 78 -3.347 -0.713 -2.517 1.00 1.19 H new ATOM 1267 N SER A 79 -5.823 -5.236 -2.845 1.00 0.53 N ATOM 1268 CA SER A 79 -6.002 -6.657 -3.140 1.00 0.59 C ATOM 1269 C SER A 79 -5.365 -7.049 -4.481 1.00 0.79 C ATOM 1270 O SER A 79 -5.398 -6.291 -5.446 1.00 1.17 O ATOM 1271 CB SER A 79 -7.491 -6.996 -3.179 1.00 1.02 C ATOM 1272 OG SER A 79 -7.687 -8.342 -3.558 1.00 2.24 O ATOM 0 H SER A 79 -6.693 -4.705 -2.892 1.00 0.53 H new ATOM 0 HA SER A 79 -5.505 -7.218 -2.349 1.00 0.59 H new ATOM 0 HB2 SER A 79 -7.935 -6.821 -2.199 1.00 1.02 H new ATOM 0 HB3 SER A 79 -8.001 -6.337 -3.882 1.00 1.02 H new ATOM 0 HG SER A 79 -8.610 -8.464 -3.865 1.00 2.24 H new ATOM 1278 N VAL A 80 -4.805 -8.258 -4.538 1.00 0.63 N ATOM 1279 CA VAL A 80 -4.146 -8.857 -5.720 1.00 0.65 C ATOM 1280 C VAL A 80 -4.981 -9.996 -6.335 1.00 1.17 C ATOM 1281 O VAL A 80 -4.854 -10.277 -7.529 1.00 1.35 O ATOM 1282 CB VAL A 80 -2.738 -9.367 -5.318 1.00 0.69 C ATOM 1283 CG1 VAL A 80 -2.032 -10.195 -6.404 1.00 2.09 C ATOM 1284 CG2 VAL A 80 -1.807 -8.183 -4.979 1.00 1.84 C ATOM 0 H VAL A 80 -4.793 -8.881 -3.731 1.00 0.63 H new ATOM 0 HA VAL A 80 -4.054 -8.086 -6.485 1.00 0.65 H new ATOM 0 HB VAL A 80 -2.916 -10.010 -4.456 1.00 0.69 H new ATOM 0 HG11 VAL A 80 -1.054 -10.512 -6.042 1.00 2.09 H new ATOM 0 HG12 VAL A 80 -2.633 -11.073 -6.641 1.00 2.09 H new ATOM 0 HG13 VAL A 80 -1.907 -9.588 -7.301 1.00 2.09 H new ATOM 0 HG21 VAL A 80 -0.824 -8.562 -4.699 1.00 1.84 H new ATOM 0 HG22 VAL A 80 -1.712 -7.534 -5.850 1.00 1.84 H new ATOM 0 HG23 VAL A 80 -2.227 -7.616 -4.148 1.00 1.84 H new ATOM 1294 N ASP A 81 -5.850 -10.638 -5.544 1.00 0.72 N ATOM 1295 CA ASP A 81 -6.670 -11.773 -5.974 1.00 0.79 C ATOM 1296 C ASP A 81 -8.160 -11.521 -5.676 1.00 1.02 C ATOM 1297 O ASP A 81 -8.629 -11.799 -4.566 1.00 1.29 O ATOM 1298 CB ASP A 81 -6.174 -13.074 -5.323 1.00 0.96 C ATOM 1299 CG ASP A 81 -6.856 -14.308 -5.927 1.00 1.61 C ATOM 1300 OD1 ASP A 81 -7.924 -14.191 -6.569 1.00 2.41 O ATOM 1301 OD2 ASP A 81 -6.277 -15.411 -5.849 1.00 2.62 O ATOM 0 H ASP A 81 -6.004 -10.377 -4.570 1.00 0.72 H new ATOM 0 HA ASP A 81 -6.569 -11.882 -7.054 1.00 0.79 H new ATOM 0 HB2 ASP A 81 -5.095 -13.156 -5.451 1.00 0.96 H new ATOM 0 HB3 ASP A 81 -6.366 -13.040 -4.251 1.00 0.96 H new ATOM 1306 N PRO A 82 -8.937 -11.038 -6.656 1.00 0.87 N ATOM 1307 CA PRO A 82 -10.356 -10.784 -6.467 1.00 1.14 C ATOM 1308 C PRO A 82 -11.233 -12.043 -6.548 1.00 1.37 C ATOM 1309 O PRO A 82 -12.422 -11.938 -6.267 1.00 1.65 O ATOM 1310 CB PRO A 82 -10.704 -9.766 -7.546 1.00 1.42 C ATOM 1311 CG PRO A 82 -9.771 -10.135 -8.698 1.00 1.34 C ATOM 1312 CD PRO A 82 -8.504 -10.582 -7.972 1.00 1.02 C ATOM 0 HA PRO A 82 -10.556 -10.416 -5.461 1.00 1.14 H new ATOM 0 HB2 PRO A 82 -11.751 -9.835 -7.840 1.00 1.42 H new ATOM 0 HB3 PRO A 82 -10.535 -8.745 -7.204 1.00 1.42 H new ATOM 0 HG2 PRO A 82 -10.186 -10.931 -9.316 1.00 1.34 H new ATOM 0 HG3 PRO A 82 -9.583 -9.286 -9.355 1.00 1.34 H new ATOM 0 HD2 PRO A 82 -8.003 -11.382 -8.517 1.00 1.02 H new ATOM 0 HD3 PRO A 82 -7.793 -9.761 -7.886 1.00 1.02 H new ATOM 1320 N GLU A 83 -10.686 -13.228 -6.868 1.00 1.10 N ATOM 1321 CA GLU A 83 -11.431 -14.495 -6.754 1.00 1.28 C ATOM 1322 C GLU A 83 -11.460 -15.006 -5.300 1.00 1.53 C ATOM 1323 O GLU A 83 -12.083 -16.038 -5.023 1.00 2.00 O ATOM 1324 CB GLU A 83 -10.808 -15.574 -7.657 1.00 1.35 C ATOM 1325 CG GLU A 83 -10.899 -15.288 -9.164 1.00 1.64 C ATOM 1326 CD GLU A 83 -9.717 -15.938 -9.880 1.00 1.96 C ATOM 1327 OE1 GLU A 83 -9.432 -17.128 -9.637 1.00 2.61 O ATOM 1328 OE2 GLU A 83 -8.925 -15.203 -10.510 1.00 2.64 O ATOM 0 H GLU A 83 -9.730 -13.336 -7.208 1.00 1.10 H new ATOM 0 HA GLU A 83 -12.454 -14.296 -7.074 1.00 1.28 H new ATOM 0 HB2 GLU A 83 -9.759 -15.691 -7.387 1.00 1.35 H new ATOM 0 HB3 GLU A 83 -11.298 -16.526 -7.452 1.00 1.35 H new ATOM 0 HG2 GLU A 83 -11.837 -15.676 -9.562 1.00 1.64 H new ATOM 0 HG3 GLU A 83 -10.898 -14.213 -9.341 1.00 1.64 H new ATOM 1335 N ARG A 84 -10.777 -14.311 -4.370 1.00 1.12 N ATOM 1336 CA ARG A 84 -10.555 -14.756 -2.990 1.00 1.27 C ATOM 1337 C ARG A 84 -10.590 -13.635 -1.948 1.00 1.37 C ATOM 1338 O ARG A 84 -11.058 -13.872 -0.839 1.00 1.58 O ATOM 1339 CB ARG A 84 -9.214 -15.524 -2.927 1.00 1.52 C ATOM 1340 CG ARG A 84 -9.221 -16.714 -1.943 1.00 2.23 C ATOM 1341 CD ARG A 84 -9.773 -18.018 -2.548 1.00 2.21 C ATOM 1342 NE ARG A 84 -11.137 -17.858 -3.081 1.00 2.63 N ATOM 1343 CZ ARG A 84 -12.282 -17.889 -2.413 1.00 3.71 C ATOM 1344 NH1 ARG A 84 -12.366 -18.279 -1.160 1.00 4.56 N ATOM 1345 NH2 ARG A 84 -13.366 -17.471 -3.023 1.00 5.00 N ATOM 0 H ARG A 84 -10.356 -13.403 -4.567 1.00 1.12 H new ATOM 0 HA ARG A 84 -11.390 -15.405 -2.726 1.00 1.27 H new ATOM 0 HB2 ARG A 84 -8.969 -15.891 -3.924 1.00 1.52 H new ATOM 0 HB3 ARG A 84 -8.423 -14.832 -2.639 1.00 1.52 H new ATOM 0 HG2 ARG A 84 -8.204 -16.889 -1.592 1.00 2.23 H new ATOM 0 HG3 ARG A 84 -9.818 -16.448 -1.070 1.00 2.23 H new ATOM 0 HD2 ARG A 84 -9.111 -18.353 -3.347 1.00 2.21 H new ATOM 0 HD3 ARG A 84 -9.773 -18.797 -1.786 1.00 2.21 H new ATOM 0 HE ARG A 84 -11.209 -17.705 -4.087 1.00 2.63 H new ATOM 0 HH11 ARG A 84 -11.527 -18.575 -0.661 1.00 4.56 H new ATOM 0 HH12 ARG A 84 -13.270 -18.286 -0.687 1.00 4.56 H new ATOM 0 HH21 ARG A 84 -13.313 -17.135 -3.984 1.00 5.00 H new ATOM 0 HH22 ARG A 84 -14.262 -17.483 -2.536 1.00 5.00 H new ATOM 1359 N ASP A 85 -10.146 -12.428 -2.291 1.00 0.95 N ATOM 1360 CA ASP A 85 -10.053 -11.275 -1.391 1.00 0.89 C ATOM 1361 C ASP A 85 -11.050 -10.171 -1.815 1.00 1.02 C ATOM 1362 O ASP A 85 -10.673 -9.262 -2.563 1.00 1.21 O ATOM 1363 CB ASP A 85 -8.596 -10.760 -1.409 1.00 0.98 C ATOM 1364 CG ASP A 85 -8.273 -9.792 -0.276 1.00 1.48 C ATOM 1365 OD1 ASP A 85 -9.114 -9.625 0.638 1.00 2.48 O ATOM 1366 OD2 ASP A 85 -7.114 -9.321 -0.248 1.00 2.37 O ATOM 0 H ASP A 85 -9.829 -12.216 -3.237 1.00 0.95 H new ATOM 0 HA ASP A 85 -10.318 -11.569 -0.375 1.00 0.89 H new ATOM 0 HB2 ASP A 85 -7.918 -11.612 -1.351 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -8.407 -10.266 -2.362 1.00 0.98 H new ATOM 1371 N PRO A 86 -12.337 -10.255 -1.425 1.00 0.76 N ATOM 1372 CA PRO A 86 -13.362 -9.285 -1.815 1.00 0.84 C ATOM 1373 C PRO A 86 -13.209 -7.977 -1.017 1.00 0.95 C ATOM 1374 O PRO A 86 -12.617 -7.996 0.067 1.00 0.80 O ATOM 1375 CB PRO A 86 -14.692 -9.993 -1.545 1.00 0.89 C ATOM 1376 CG PRO A 86 -14.371 -10.873 -0.342 1.00 0.87 C ATOM 1377 CD PRO A 86 -12.938 -11.320 -0.633 1.00 0.83 C ATOM 0 HA PRO A 86 -13.286 -8.985 -2.860 1.00 0.84 H new ATOM 0 HB2 PRO A 86 -15.490 -9.284 -1.325 1.00 0.89 H new ATOM 0 HB3 PRO A 86 -15.017 -10.583 -2.402 1.00 0.89 H new ATOM 0 HG2 PRO A 86 -14.442 -10.321 0.595 1.00 0.87 H new ATOM 0 HG3 PRO A 86 -15.053 -11.720 -0.265 1.00 0.87 H new ATOM 0 HD2 PRO A 86 -12.384 -11.479 0.292 1.00 0.83 H new ATOM 0 HD3 PRO A 86 -12.927 -12.264 -1.177 1.00 0.83 H new ATOM 1385 N PRO A 87 -13.725 -6.833 -1.515 1.00 0.56 N ATOM 1386 CA PRO A 87 -13.391 -5.512 -0.980 1.00 0.67 C ATOM 1387 C PRO A 87 -13.775 -5.322 0.489 1.00 0.94 C ATOM 1388 O PRO A 87 -13.070 -4.614 1.195 1.00 0.78 O ATOM 1389 CB PRO A 87 -14.074 -4.496 -1.901 1.00 0.73 C ATOM 1390 CG PRO A 87 -15.173 -5.291 -2.602 1.00 0.72 C ATOM 1391 CD PRO A 87 -14.594 -6.703 -2.677 1.00 0.65 C ATOM 0 HA PRO A 87 -12.309 -5.377 -0.972 1.00 0.67 H new ATOM 0 HB2 PRO A 87 -14.488 -3.662 -1.334 1.00 0.73 H new ATOM 0 HB3 PRO A 87 -13.370 -4.075 -2.619 1.00 0.73 H new ATOM 0 HG2 PRO A 87 -16.106 -5.269 -2.040 1.00 0.72 H new ATOM 0 HG3 PRO A 87 -15.388 -4.892 -3.593 1.00 0.72 H new ATOM 0 HD2 PRO A 87 -15.385 -7.452 -2.660 1.00 0.65 H new ATOM 0 HD3 PRO A 87 -14.036 -6.849 -3.602 1.00 0.65 H new ATOM 1399 N GLU A 88 -14.824 -5.987 0.982 1.00 0.55 N ATOM 1400 CA GLU A 88 -15.246 -5.953 2.382 1.00 0.60 C ATOM 1401 C GLU A 88 -14.246 -6.658 3.313 1.00 1.01 C ATOM 1402 O GLU A 88 -14.077 -6.259 4.468 1.00 1.20 O ATOM 1403 CB GLU A 88 -16.625 -6.629 2.549 1.00 0.82 C ATOM 1404 CG GLU A 88 -17.714 -6.249 1.526 1.00 1.31 C ATOM 1405 CD GLU A 88 -17.767 -7.211 0.329 1.00 3.16 C ATOM 1406 OE1 GLU A 88 -16.731 -7.355 -0.356 1.00 4.37 O ATOM 1407 OE2 GLU A 88 -18.840 -7.803 0.106 1.00 4.00 O ATOM 0 H GLU A 88 -15.418 -6.579 0.401 1.00 0.55 H new ATOM 0 HA GLU A 88 -15.299 -4.901 2.661 1.00 0.60 H new ATOM 0 HB2 GLU A 88 -16.481 -7.709 2.507 1.00 0.82 H new ATOM 0 HB3 GLU A 88 -16.999 -6.396 3.546 1.00 0.82 H new ATOM 0 HG2 GLU A 88 -18.685 -6.239 2.022 1.00 1.31 H new ATOM 0 HG3 GLU A 88 -17.530 -5.237 1.165 1.00 1.31 H new ATOM 1414 N VAL A 89 -13.616 -7.735 2.834 1.00 0.63 N ATOM 1415 CA VAL A 89 -12.574 -8.475 3.566 1.00 0.71 C ATOM 1416 C VAL A 89 -11.244 -7.711 3.550 1.00 0.98 C ATOM 1417 O VAL A 89 -10.635 -7.541 4.604 1.00 0.93 O ATOM 1418 CB VAL A 89 -12.430 -9.925 3.055 1.00 0.79 C ATOM 1419 CG1 VAL A 89 -11.278 -10.680 3.736 1.00 1.00 C ATOM 1420 CG2 VAL A 89 -13.725 -10.711 3.336 1.00 1.04 C ATOM 0 H VAL A 89 -13.816 -8.126 1.913 1.00 0.63 H new ATOM 0 HA VAL A 89 -12.888 -8.551 4.607 1.00 0.71 H new ATOM 0 HB VAL A 89 -12.224 -9.855 1.987 1.00 0.79 H new ATOM 0 HG11 VAL A 89 -11.222 -11.694 3.339 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -10.339 -10.162 3.542 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -11.455 -10.720 4.811 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -13.616 -11.733 2.973 1.00 1.04 H new ATOM 0 HG22 VAL A 89 -13.916 -10.726 4.409 1.00 1.04 H new ATOM 0 HG23 VAL A 89 -14.560 -10.231 2.825 1.00 1.04 H new ATOM 1430 N ALA A 90 -10.826 -7.200 2.385 1.00 0.64 N ATOM 1431 CA ALA A 90 -9.645 -6.342 2.260 1.00 0.68 C ATOM 1432 C ALA A 90 -9.753 -5.074 3.137 1.00 0.89 C ATOM 1433 O ALA A 90 -8.830 -4.762 3.895 1.00 0.99 O ATOM 1434 CB ALA A 90 -9.438 -6.042 0.766 1.00 0.67 C ATOM 0 H ALA A 90 -11.301 -7.372 1.499 1.00 0.64 H new ATOM 0 HA ALA A 90 -8.761 -6.854 2.640 1.00 0.68 H new ATOM 0 HB1 ALA A 90 -8.564 -5.403 0.641 1.00 0.67 H new ATOM 0 HB2 ALA A 90 -9.286 -6.976 0.225 1.00 0.67 H new ATOM 0 HB3 ALA A 90 -10.318 -5.534 0.372 1.00 0.67 H new ATOM 1440 N ASP A 91 -10.895 -4.376 3.105 1.00 0.66 N ATOM 1441 CA ASP A 91 -11.137 -3.140 3.871 1.00 0.74 C ATOM 1442 C ASP A 91 -11.216 -3.356 5.377 1.00 1.06 C ATOM 1443 O ASP A 91 -10.639 -2.568 6.135 1.00 1.20 O ATOM 1444 CB ASP A 91 -12.422 -2.465 3.387 1.00 0.72 C ATOM 1445 CG ASP A 91 -12.646 -1.126 4.094 1.00 0.83 C ATOM 1446 OD1 ASP A 91 -11.842 -0.190 3.871 1.00 2.05 O ATOM 1447 OD2 ASP A 91 -13.559 -1.012 4.940 1.00 1.65 O ATOM 0 H ASP A 91 -11.694 -4.657 2.536 1.00 0.66 H new ATOM 0 HA ASP A 91 -10.273 -2.500 3.690 1.00 0.74 H new ATOM 0 HB2 ASP A 91 -12.368 -2.306 2.310 1.00 0.72 H new ATOM 0 HB3 ASP A 91 -13.272 -3.122 3.570 1.00 0.72 H new ATOM 1452 N ARG A 92 -11.886 -4.423 5.822 1.00 0.82 N ATOM 1453 CA ARG A 92 -11.933 -4.725 7.251 1.00 0.97 C ATOM 1454 C ARG A 92 -10.557 -5.129 7.797 1.00 1.36 C ATOM 1455 O ARG A 92 -10.261 -4.821 8.947 1.00 1.57 O ATOM 1456 CB ARG A 92 -13.045 -5.732 7.571 1.00 1.16 C ATOM 1457 CG ARG A 92 -12.688 -7.207 7.330 1.00 1.74 C ATOM 1458 CD ARG A 92 -13.859 -8.133 7.676 1.00 1.96 C ATOM 1459 NE ARG A 92 -14.112 -8.116 9.133 1.00 3.10 N ATOM 1460 CZ ARG A 92 -14.916 -8.910 9.828 1.00 4.09 C ATOM 1461 NH1 ARG A 92 -15.643 -9.846 9.252 1.00 4.12 N ATOM 1462 NH2 ARG A 92 -14.994 -8.763 11.135 1.00 5.57 N ATOM 0 H ARG A 92 -12.392 -5.078 5.226 1.00 0.82 H new ATOM 0 HA ARG A 92 -12.195 -3.810 7.782 1.00 0.97 H new ATOM 0 HB2 ARG A 92 -13.332 -5.611 8.616 1.00 1.16 H new ATOM 0 HB3 ARG A 92 -13.920 -5.485 6.970 1.00 1.16 H new ATOM 0 HG2 ARG A 92 -12.407 -7.348 6.286 1.00 1.74 H new ATOM 0 HG3 ARG A 92 -11.820 -7.475 7.933 1.00 1.74 H new ATOM 0 HD2 ARG A 92 -14.754 -7.815 7.141 1.00 1.96 H new ATOM 0 HD3 ARG A 92 -13.637 -9.149 7.350 1.00 1.96 H new ATOM 0 HE ARG A 92 -13.608 -7.409 9.668 1.00 3.10 H new ATOM 0 HH11 ARG A 92 -15.598 -9.977 8.241 1.00 4.12 H new ATOM 0 HH12 ARG A 92 -16.251 -10.439 9.817 1.00 4.12 H new ATOM 0 HH21 ARG A 92 -14.440 -8.045 11.601 1.00 5.57 H new ATOM 0 HH22 ARG A 92 -15.609 -9.367 11.680 1.00 5.57 H new ATOM 1476 N TYR A 93 -9.709 -5.794 7.003 1.00 0.91 N ATOM 1477 CA TYR A 93 -8.360 -6.183 7.438 1.00 0.89 C ATOM 1478 C TYR A 93 -7.468 -4.946 7.601 1.00 1.26 C ATOM 1479 O TYR A 93 -6.837 -4.781 8.644 1.00 1.46 O ATOM 1480 CB TYR A 93 -7.760 -7.217 6.465 1.00 0.87 C ATOM 1481 CG TYR A 93 -6.823 -8.249 7.083 1.00 1.00 C ATOM 1482 CD1 TYR A 93 -5.718 -7.856 7.866 1.00 2.02 C ATOM 1483 CD2 TYR A 93 -7.073 -9.622 6.882 1.00 1.83 C ATOM 1484 CE1 TYR A 93 -4.893 -8.825 8.471 1.00 2.10 C ATOM 1485 CE2 TYR A 93 -6.241 -10.598 7.463 1.00 2.21 C ATOM 1486 CZ TYR A 93 -5.158 -10.200 8.275 1.00 1.69 C ATOM 1487 OH TYR A 93 -4.387 -11.137 8.889 1.00 2.25 O ATOM 0 H TYR A 93 -9.935 -6.076 6.049 1.00 0.91 H new ATOM 0 HA TYR A 93 -8.423 -6.660 8.416 1.00 0.89 H new ATOM 0 HB2 TYR A 93 -8.579 -7.745 5.976 1.00 0.87 H new ATOM 0 HB3 TYR A 93 -7.216 -6.682 5.686 1.00 0.87 H new ATOM 0 HD1 TYR A 93 -5.503 -6.807 8.003 1.00 2.02 H new ATOM 0 HD2 TYR A 93 -7.912 -9.929 6.275 1.00 1.83 H new ATOM 0 HE1 TYR A 93 -4.059 -8.518 9.084 1.00 2.10 H new ATOM 0 HE2 TYR A 93 -6.431 -11.647 7.288 1.00 2.21 H new ATOM 0 HH TYR A 93 -4.923 -11.939 9.064 1.00 2.25 H new ATOM 1497 N ALA A 94 -7.454 -4.040 6.616 1.00 0.86 N ATOM 1498 CA ALA A 94 -6.761 -2.755 6.702 1.00 0.89 C ATOM 1499 C ALA A 94 -7.235 -1.922 7.908 1.00 1.02 C ATOM 1500 O ALA A 94 -6.433 -1.512 8.745 1.00 1.05 O ATOM 1501 CB ALA A 94 -6.986 -2.020 5.376 1.00 0.91 C ATOM 0 H ALA A 94 -7.931 -4.184 5.726 1.00 0.86 H new ATOM 0 HA ALA A 94 -5.695 -2.918 6.864 1.00 0.89 H new ATOM 0 HB1 ALA A 94 -6.481 -1.054 5.405 1.00 0.91 H new ATOM 0 HB2 ALA A 94 -6.583 -2.616 4.557 1.00 0.91 H new ATOM 0 HB3 ALA A 94 -8.054 -1.867 5.222 1.00 0.91 H new ATOM 1507 N LYS A 95 -8.541 -1.681 8.019 1.00 0.96 N ATOM 1508 CA LYS A 95 -9.105 -0.816 9.059 1.00 1.13 C ATOM 1509 C LYS A 95 -9.088 -1.417 10.479 1.00 1.23 C ATOM 1510 O LYS A 95 -9.104 -0.654 11.445 1.00 1.38 O ATOM 1511 CB LYS A 95 -10.455 -0.299 8.544 1.00 1.59 C ATOM 1512 CG LYS A 95 -11.078 0.800 9.417 1.00 1.77 C ATOM 1513 CD LYS A 95 -11.907 1.857 8.661 1.00 1.69 C ATOM 1514 CE LYS A 95 -12.928 1.313 7.650 1.00 1.43 C ATOM 1515 NZ LYS A 95 -12.305 0.960 6.351 1.00 1.34 N ATOM 0 H LYS A 95 -9.239 -2.079 7.391 1.00 0.96 H new ATOM 0 HA LYS A 95 -8.457 0.045 9.225 1.00 1.13 H new ATOM 0 HB2 LYS A 95 -10.323 0.086 7.533 1.00 1.59 H new ATOM 0 HB3 LYS A 95 -11.151 -1.135 8.479 1.00 1.59 H new ATOM 0 HG2 LYS A 95 -11.717 0.328 10.164 1.00 1.77 H new ATOM 0 HG3 LYS A 95 -10.279 1.308 9.957 1.00 1.77 H new ATOM 0 HD2 LYS A 95 -12.438 2.465 9.393 1.00 1.69 H new ATOM 0 HD3 LYS A 95 -11.221 2.520 8.134 1.00 1.69 H new ATOM 0 HE2 LYS A 95 -13.415 0.432 8.068 1.00 1.43 H new ATOM 0 HE3 LYS A 95 -13.706 2.059 7.486 1.00 1.43 H new ATOM 0 HZ1 LYS A 95 -12.816 1.436 5.580 1.00 1.34 H new ATOM 0 HZ2 LYS A 95 -11.311 1.265 6.348 1.00 1.34 H new ATOM 0 HZ3 LYS A 95 -12.351 -0.070 6.212 1.00 1.34 H new ATOM 1529 N ALA A 96 -8.944 -2.742 10.627 1.00 1.12 N ATOM 1530 CA ALA A 96 -8.703 -3.385 11.928 1.00 1.21 C ATOM 1531 C ALA A 96 -7.396 -2.925 12.601 1.00 1.42 C ATOM 1532 O ALA A 96 -7.297 -2.980 13.825 1.00 1.53 O ATOM 1533 CB ALA A 96 -8.722 -4.910 11.753 1.00 1.20 C ATOM 0 H ALA A 96 -8.991 -3.399 9.848 1.00 1.12 H new ATOM 0 HA ALA A 96 -9.506 -3.077 12.598 1.00 1.21 H new ATOM 0 HB1 ALA A 96 -8.544 -5.389 12.716 1.00 1.20 H new ATOM 0 HB2 ALA A 96 -9.693 -5.220 11.368 1.00 1.20 H new ATOM 0 HB3 ALA A 96 -7.942 -5.205 11.051 1.00 1.20 H new ATOM 1539 N PHE A 97 -6.422 -2.426 11.828 1.00 1.29 N ATOM 1540 CA PHE A 97 -5.205 -1.801 12.361 1.00 1.31 C ATOM 1541 C PHE A 97 -5.391 -0.358 12.825 1.00 2.32 C ATOM 1542 O PHE A 97 -4.706 0.069 13.756 1.00 2.64 O ATOM 1543 CB PHE A 97 -4.102 -1.856 11.299 1.00 1.37 C ATOM 1544 CG PHE A 97 -3.473 -3.219 11.261 1.00 1.39 C ATOM 1545 CD1 PHE A 97 -2.492 -3.541 12.213 1.00 2.69 C ATOM 1546 CD2 PHE A 97 -3.941 -4.190 10.360 1.00 2.26 C ATOM 1547 CE1 PHE A 97 -1.988 -4.850 12.275 1.00 2.53 C ATOM 1548 CE2 PHE A 97 -3.417 -5.491 10.405 1.00 2.32 C ATOM 1549 CZ PHE A 97 -2.449 -5.818 11.371 1.00 1.52 C ATOM 0 H PHE A 97 -6.457 -2.445 10.809 1.00 1.29 H new ATOM 0 HA PHE A 97 -4.933 -2.371 13.249 1.00 1.31 H new ATOM 0 HB2 PHE A 97 -4.519 -1.614 10.321 1.00 1.37 H new ATOM 0 HB3 PHE A 97 -3.343 -1.105 11.516 1.00 1.37 H new ATOM 0 HD1 PHE A 97 -2.127 -2.786 12.894 1.00 2.69 H new ATOM 0 HD2 PHE A 97 -4.701 -3.936 9.636 1.00 2.26 H new ATOM 0 HE1 PHE A 97 -1.247 -5.111 13.017 1.00 2.53 H new ATOM 0 HE2 PHE A 97 -3.755 -6.237 9.701 1.00 2.32 H new ATOM 0 HZ PHE A 97 -2.057 -6.823 11.417 1.00 1.52 H new ATOM 1559 N HIS A 98 -6.273 0.406 12.178 1.00 1.32 N ATOM 1560 CA HIS A 98 -6.424 1.839 12.431 1.00 1.33 C ATOM 1561 C HIS A 98 -7.694 2.412 11.753 1.00 1.55 C ATOM 1562 O HIS A 98 -7.857 2.210 10.545 1.00 1.70 O ATOM 1563 CB HIS A 98 -5.153 2.557 11.941 1.00 1.37 C ATOM 1564 CG HIS A 98 -5.107 3.980 12.416 1.00 1.98 C ATOM 1565 ND1 HIS A 98 -4.901 4.375 13.711 1.00 2.61 N flip ATOM 1566 CD2 HIS A 98 -5.444 5.102 11.694 1.00 2.53 C flip ATOM 1567 CE1 HIS A 98 -5.155 5.741 13.787 1.00 3.31 C flip ATOM 1568 NE2 HIS A 98 -5.476 6.138 12.548 1.00 3.33 N flip ATOM 0 H HIS A 98 -6.904 0.047 11.462 1.00 1.32 H new ATOM 0 HA HIS A 98 -6.550 2.004 13.501 1.00 1.33 H new ATOM 0 HB2 HIS A 98 -4.272 2.024 12.299 1.00 1.37 H new ATOM 0 HB3 HIS A 98 -5.118 2.535 10.852 1.00 1.37 H new ATOM 0 HD2 HIS A 98 -5.646 5.142 10.634 1.00 2.53 H new ATOM 0 HE1 HIS A 98 -5.104 6.360 14.671 1.00 3.31 H new ATOM 0 HE2 HIS A 98 -5.712 7.096 12.289 1.00 3.33 H new ATOM 1577 N PRO A 99 -8.562 3.172 12.460 1.00 1.37 N ATOM 1578 CA PRO A 99 -9.917 3.524 12.005 1.00 1.50 C ATOM 1579 C PRO A 99 -10.015 4.536 10.843 1.00 1.90 C ATOM 1580 O PRO A 99 -11.110 4.995 10.541 1.00 2.38 O ATOM 1581 CB PRO A 99 -10.650 4.014 13.266 1.00 1.68 C ATOM 1582 CG PRO A 99 -9.528 4.579 14.127 1.00 1.60 C ATOM 1583 CD PRO A 99 -8.393 3.604 13.842 1.00 1.40 C ATOM 0 HA PRO A 99 -10.373 2.643 11.554 1.00 1.50 H new ATOM 0 HB2 PRO A 99 -11.396 4.773 13.028 1.00 1.68 H new ATOM 0 HB3 PRO A 99 -11.172 3.200 13.769 1.00 1.68 H new ATOM 0 HG2 PRO A 99 -9.270 5.600 13.844 1.00 1.60 H new ATOM 0 HG3 PRO A 99 -9.794 4.599 15.184 1.00 1.60 H new ATOM 0 HD2 PRO A 99 -7.424 4.083 13.984 1.00 1.40 H new ATOM 0 HD3 PRO A 99 -8.431 2.753 14.523 1.00 1.40 H new ATOM 1591 N SER A 100 -8.917 4.874 10.160 1.00 1.67 N ATOM 1592 CA SER A 100 -8.907 5.777 8.983 1.00 2.11 C ATOM 1593 C SER A 100 -8.199 5.137 7.766 1.00 1.93 C ATOM 1594 O SER A 100 -7.719 5.815 6.855 1.00 2.10 O ATOM 1595 CB SER A 100 -8.300 7.135 9.374 1.00 2.84 C ATOM 1596 OG SER A 100 -8.727 8.162 8.490 1.00 3.78 O ATOM 0 H SER A 100 -7.990 4.527 10.406 1.00 1.67 H new ATOM 0 HA SER A 100 -9.936 5.947 8.666 1.00 2.11 H new ATOM 0 HB2 SER A 100 -8.590 7.386 10.394 1.00 2.84 H new ATOM 0 HB3 SER A 100 -7.212 7.068 9.359 1.00 2.84 H new ATOM 0 HG SER A 100 -8.594 7.872 7.563 1.00 3.78 H new ATOM 1602 N PHE A 101 -8.082 3.802 7.755 1.00 1.49 N ATOM 1603 CA PHE A 101 -7.459 3.030 6.673 1.00 1.28 C ATOM 1604 C PHE A 101 -8.515 2.452 5.715 1.00 2.00 C ATOM 1605 O PHE A 101 -9.693 2.313 6.061 1.00 2.46 O ATOM 1606 CB PHE A 101 -6.592 1.904 7.265 1.00 1.34 C ATOM 1607 CG PHE A 101 -5.282 2.277 7.945 1.00 1.92 C ATOM 1608 CD1 PHE A 101 -4.901 3.613 8.217 1.00 3.38 C ATOM 1609 CD2 PHE A 101 -4.403 1.230 8.283 1.00 2.05 C ATOM 1610 CE1 PHE A 101 -3.662 3.887 8.824 1.00 3.81 C ATOM 1611 CE2 PHE A 101 -3.160 1.508 8.872 1.00 2.32 C ATOM 1612 CZ PHE A 101 -2.790 2.835 9.145 1.00 3.02 C ATOM 0 H PHE A 101 -8.426 3.216 8.516 1.00 1.49 H new ATOM 0 HA PHE A 101 -6.825 3.703 6.095 1.00 1.28 H new ATOM 0 HB2 PHE A 101 -7.200 1.364 7.991 1.00 1.34 H new ATOM 0 HB3 PHE A 101 -6.361 1.206 6.461 1.00 1.34 H new ATOM 0 HD1 PHE A 101 -5.564 4.425 7.957 1.00 3.38 H new ATOM 0 HD2 PHE A 101 -4.687 0.207 8.088 1.00 2.05 H new ATOM 0 HE1 PHE A 101 -3.382 4.907 9.043 1.00 3.81 H new ATOM 0 HE2 PHE A 101 -2.486 0.700 9.116 1.00 2.32 H new ATOM 0 HZ PHE A 101 -1.834 3.046 9.602 1.00 3.02 H new ATOM 1622 N LEU A 102 -8.070 2.104 4.503 1.00 0.73 N ATOM 1623 CA LEU A 102 -8.914 1.608 3.409 1.00 0.60 C ATOM 1624 C LEU A 102 -8.357 0.294 2.846 1.00 0.88 C ATOM 1625 O LEU A 102 -7.138 0.138 2.752 1.00 1.28 O ATOM 1626 CB LEU A 102 -8.938 2.678 2.294 1.00 0.70 C ATOM 1627 CG LEU A 102 -10.304 3.055 1.695 1.00 0.86 C ATOM 1628 CD1 LEU A 102 -11.019 1.866 1.046 1.00 1.34 C ATOM 1629 CD2 LEU A 102 -11.204 3.730 2.742 1.00 1.96 C ATOM 0 H LEU A 102 -7.084 2.161 4.248 1.00 0.73 H new ATOM 0 HA LEU A 102 -9.920 1.419 3.783 1.00 0.60 H new ATOM 0 HB2 LEU A 102 -8.483 3.586 2.690 1.00 0.70 H new ATOM 0 HB3 LEU A 102 -8.300 2.330 1.482 1.00 0.70 H new ATOM 0 HG LEU A 102 -10.102 3.771 0.899 1.00 0.86 H new ATOM 0 HD11 LEU A 102 -11.977 2.194 0.642 1.00 1.34 H new ATOM 0 HD12 LEU A 102 -10.403 1.466 0.241 1.00 1.34 H new ATOM 0 HD13 LEU A 102 -11.187 1.091 1.793 1.00 1.34 H new ATOM 0 HD21 LEU A 102 -12.162 3.985 2.289 1.00 1.96 H new ATOM 0 HD22 LEU A 102 -11.367 3.047 3.576 1.00 1.96 H new ATOM 0 HD23 LEU A 102 -10.722 4.638 3.105 1.00 1.96 H new ATOM 1641 N GLY A 103 -9.237 -0.605 2.399 1.00 0.53 N ATOM 1642 CA GLY A 103 -8.873 -1.752 1.556 1.00 0.57 C ATOM 1643 C GLY A 103 -9.661 -1.763 0.248 1.00 0.62 C ATOM 1644 O GLY A 103 -10.860 -1.481 0.249 1.00 0.72 O ATOM 0 H GLY A 103 -10.233 -0.559 2.613 1.00 0.53 H new ATOM 0 HA2 GLY A 103 -7.806 -1.719 1.338 1.00 0.57 H new ATOM 0 HA3 GLY A 103 -9.059 -2.678 2.101 1.00 0.57 H new ATOM 1648 N LEU A 104 -8.982 -2.068 -0.862 1.00 0.48 N ATOM 1649 CA LEU A 104 -9.529 -1.981 -2.219 1.00 0.48 C ATOM 1650 C LEU A 104 -9.416 -3.313 -2.967 1.00 1.04 C ATOM 1651 O LEU A 104 -8.332 -3.884 -3.072 1.00 1.31 O ATOM 1652 CB LEU A 104 -8.797 -0.863 -2.988 1.00 0.55 C ATOM 1653 CG LEU A 104 -8.957 0.560 -2.414 1.00 0.66 C ATOM 1654 CD1 LEU A 104 -8.134 1.565 -3.232 1.00 0.86 C ATOM 1655 CD2 LEU A 104 -10.423 1.023 -2.410 1.00 1.12 C ATOM 0 H LEU A 104 -8.014 -2.390 -0.841 1.00 0.48 H new ATOM 0 HA LEU A 104 -10.591 -1.746 -2.148 1.00 0.48 H new ATOM 0 HB2 LEU A 104 -7.735 -1.105 -3.020 1.00 0.55 H new ATOM 0 HB3 LEU A 104 -9.154 -0.862 -4.018 1.00 0.55 H new ATOM 0 HG LEU A 104 -8.599 0.522 -1.385 1.00 0.66 H new ATOM 0 HD11 LEU A 104 -8.259 2.564 -2.813 1.00 0.86 H new ATOM 0 HD12 LEU A 104 -7.081 1.286 -3.198 1.00 0.86 H new ATOM 0 HD13 LEU A 104 -8.477 1.560 -4.266 1.00 0.86 H new ATOM 0 HD21 LEU A 104 -10.485 2.030 -1.997 1.00 1.12 H new ATOM 0 HD22 LEU A 104 -10.807 1.025 -3.430 1.00 1.12 H new ATOM 0 HD23 LEU A 104 -11.018 0.343 -1.800 1.00 1.12 H new ATOM 1667 N SER A 105 -10.522 -3.799 -3.523 1.00 0.45 N ATOM 1668 CA SER A 105 -10.567 -4.966 -4.406 1.00 0.47 C ATOM 1669 C SER A 105 -11.631 -4.791 -5.499 1.00 0.78 C ATOM 1670 O SER A 105 -12.596 -4.058 -5.304 1.00 1.14 O ATOM 1671 CB SER A 105 -10.860 -6.218 -3.582 1.00 0.59 C ATOM 1672 OG SER A 105 -10.672 -7.383 -4.355 1.00 0.90 O ATOM 0 H SER A 105 -11.440 -3.381 -3.369 1.00 0.45 H new ATOM 0 HA SER A 105 -9.598 -5.070 -4.895 1.00 0.47 H new ATOM 0 HB2 SER A 105 -10.207 -6.246 -2.710 1.00 0.59 H new ATOM 0 HB3 SER A 105 -11.885 -6.183 -3.212 1.00 0.59 H new ATOM 0 HG SER A 105 -10.782 -8.174 -3.787 1.00 0.90 H new ATOM 1678 N GLY A 106 -11.492 -5.455 -6.651 1.00 0.66 N ATOM 1679 CA GLY A 106 -12.412 -5.290 -7.783 1.00 0.80 C ATOM 1680 C GLY A 106 -12.098 -6.213 -8.958 1.00 0.97 C ATOM 1681 O GLY A 106 -11.376 -7.194 -8.822 1.00 1.11 O ATOM 0 H GLY A 106 -10.740 -6.121 -6.826 1.00 0.66 H new ATOM 0 HA2 GLY A 106 -13.431 -5.479 -7.444 1.00 0.80 H new ATOM 0 HA3 GLY A 106 -12.376 -4.255 -8.123 1.00 0.80 H new ATOM 1685 N SER A 107 -12.658 -5.910 -10.125 1.00 0.94 N ATOM 1686 CA SER A 107 -12.436 -6.682 -11.353 1.00 1.11 C ATOM 1687 C SER A 107 -10.944 -6.785 -11.749 1.00 1.17 C ATOM 1688 O SER A 107 -10.168 -5.846 -11.514 1.00 1.12 O ATOM 1689 CB SER A 107 -13.271 -6.081 -12.484 1.00 1.39 C ATOM 1690 OG SER A 107 -14.654 -6.168 -12.195 1.00 2.60 O ATOM 0 H SER A 107 -13.285 -5.115 -10.251 1.00 0.94 H new ATOM 0 HA SER A 107 -12.757 -7.706 -11.162 1.00 1.11 H new ATOM 0 HB2 SER A 107 -12.992 -5.038 -12.632 1.00 1.39 H new ATOM 0 HB3 SER A 107 -13.057 -6.604 -13.416 1.00 1.39 H new ATOM 0 HG SER A 107 -15.167 -5.776 -12.932 1.00 2.60 H new ATOM 1696 N PRO A 108 -10.509 -7.932 -12.307 1.00 1.09 N ATOM 1697 CA PRO A 108 -9.097 -8.298 -12.374 1.00 1.20 C ATOM 1698 C PRO A 108 -8.277 -7.399 -13.306 1.00 1.44 C ATOM 1699 O PRO A 108 -7.097 -7.202 -13.052 1.00 1.34 O ATOM 1700 CB PRO A 108 -9.071 -9.766 -12.815 1.00 1.48 C ATOM 1701 CG PRO A 108 -10.382 -9.936 -13.576 1.00 1.50 C ATOM 1702 CD PRO A 108 -11.332 -9.027 -12.802 1.00 1.26 C ATOM 0 HA PRO A 108 -8.623 -8.160 -11.402 1.00 1.20 H new ATOM 0 HB2 PRO A 108 -8.210 -9.979 -13.448 1.00 1.48 H new ATOM 0 HB3 PRO A 108 -9.013 -10.440 -11.961 1.00 1.48 H new ATOM 0 HG2 PRO A 108 -10.289 -9.632 -14.619 1.00 1.50 H new ATOM 0 HG3 PRO A 108 -10.721 -10.972 -13.575 1.00 1.50 H new ATOM 0 HD2 PRO A 108 -12.131 -8.657 -13.444 1.00 1.26 H new ATOM 0 HD3 PRO A 108 -11.806 -9.564 -11.980 1.00 1.26 H new ATOM 1710 N GLU A 109 -8.878 -6.827 -14.347 1.00 1.32 N ATOM 1711 CA GLU A 109 -8.277 -5.793 -15.201 1.00 1.41 C ATOM 1712 C GLU A 109 -8.128 -4.437 -14.483 1.00 1.30 C ATOM 1713 O GLU A 109 -7.082 -3.803 -14.600 1.00 1.44 O ATOM 1714 CB GLU A 109 -8.983 -5.722 -16.562 1.00 1.91 C ATOM 1715 CG GLU A 109 -10.332 -5.022 -16.525 1.00 1.34 C ATOM 1716 CD GLU A 109 -11.262 -5.627 -15.479 1.00 2.28 C ATOM 1717 OE1 GLU A 109 -11.408 -6.872 -15.459 1.00 2.91 O ATOM 1718 OE2 GLU A 109 -11.661 -4.880 -14.564 1.00 3.56 O ATOM 0 H GLU A 109 -9.826 -7.075 -14.632 1.00 1.32 H new ATOM 0 HA GLU A 109 -7.250 -6.089 -15.414 1.00 1.41 H new ATOM 0 HB2 GLU A 109 -8.335 -5.203 -17.269 1.00 1.91 H new ATOM 0 HB3 GLU A 109 -9.121 -6.735 -16.941 1.00 1.91 H new ATOM 0 HG2 GLU A 109 -10.185 -3.963 -16.310 1.00 1.34 H new ATOM 0 HG3 GLU A 109 -10.801 -5.086 -17.507 1.00 1.34 H new ATOM 1725 N ALA A 110 -9.087 -4.016 -13.648 1.00 1.09 N ATOM 1726 CA ALA A 110 -8.911 -2.866 -12.756 1.00 0.98 C ATOM 1727 C ALA A 110 -7.815 -3.122 -11.702 1.00 1.01 C ATOM 1728 O ALA A 110 -7.007 -2.231 -11.434 1.00 0.96 O ATOM 1729 CB ALA A 110 -10.268 -2.513 -12.136 1.00 1.02 C ATOM 0 H ALA A 110 -10.002 -4.461 -13.573 1.00 1.09 H new ATOM 0 HA ALA A 110 -8.560 -2.007 -13.328 1.00 0.98 H new ATOM 0 HB1 ALA A 110 -10.152 -1.658 -11.469 1.00 1.02 H new ATOM 0 HB2 ALA A 110 -10.975 -2.263 -12.927 1.00 1.02 H new ATOM 0 HB3 ALA A 110 -10.643 -3.366 -11.570 1.00 1.02 H new ATOM 1735 N VAL A 111 -7.720 -4.352 -11.179 1.00 0.87 N ATOM 1736 CA VAL A 111 -6.568 -4.780 -10.352 1.00 0.80 C ATOM 1737 C VAL A 111 -5.253 -4.740 -11.157 1.00 1.11 C ATOM 1738 O VAL A 111 -4.224 -4.322 -10.618 1.00 0.93 O ATOM 1739 CB VAL A 111 -6.797 -6.156 -9.679 1.00 0.82 C ATOM 1740 CG1 VAL A 111 -5.568 -6.639 -8.888 1.00 1.20 C ATOM 1741 CG2 VAL A 111 -7.993 -6.099 -8.711 1.00 1.05 C ATOM 0 H VAL A 111 -8.427 -5.075 -11.311 1.00 0.87 H new ATOM 0 HA VAL A 111 -6.476 -4.059 -9.540 1.00 0.80 H new ATOM 0 HB VAL A 111 -6.991 -6.857 -10.491 1.00 0.82 H new ATOM 0 HG11 VAL A 111 -5.783 -7.608 -8.437 1.00 1.20 H new ATOM 0 HG12 VAL A 111 -4.716 -6.733 -9.561 1.00 1.20 H new ATOM 0 HG13 VAL A 111 -5.333 -5.918 -8.105 1.00 1.20 H new ATOM 0 HG21 VAL A 111 -8.135 -7.076 -8.250 1.00 1.05 H new ATOM 0 HG22 VAL A 111 -7.799 -5.357 -7.936 1.00 1.05 H new ATOM 0 HG23 VAL A 111 -8.893 -5.823 -9.260 1.00 1.05 H new ATOM 1751 N ARG A 112 -5.269 -5.082 -12.457 1.00 0.85 N ATOM 1752 CA ARG A 112 -4.095 -4.911 -13.322 1.00 0.83 C ATOM 1753 C ARG A 112 -3.711 -3.451 -13.484 1.00 1.05 C ATOM 1754 O ARG A 112 -2.525 -3.156 -13.375 1.00 1.18 O ATOM 1755 CB ARG A 112 -4.266 -5.529 -14.715 1.00 0.96 C ATOM 1756 CG ARG A 112 -4.083 -7.037 -14.670 1.00 2.00 C ATOM 1757 CD ARG A 112 -3.605 -7.602 -16.011 1.00 2.35 C ATOM 1758 NE ARG A 112 -3.388 -9.059 -15.936 1.00 3.85 N ATOM 1759 CZ ARG A 112 -2.370 -9.684 -15.348 1.00 5.07 C ATOM 1760 NH1 ARG A 112 -1.390 -9.063 -14.722 1.00 5.50 N ATOM 1761 NH2 ARG A 112 -2.310 -10.996 -15.380 1.00 6.64 N ATOM 0 H ARG A 112 -6.082 -5.478 -12.929 1.00 0.85 H new ATOM 0 HA ARG A 112 -3.298 -5.446 -12.806 1.00 0.83 H new ATOM 0 HB2 ARG A 112 -5.256 -5.291 -15.103 1.00 0.96 H new ATOM 0 HB3 ARG A 112 -3.541 -5.092 -15.402 1.00 0.96 H new ATOM 0 HG2 ARG A 112 -3.362 -7.291 -13.893 1.00 2.00 H new ATOM 0 HG3 ARG A 112 -5.027 -7.508 -14.395 1.00 2.00 H new ATOM 0 HD2 ARG A 112 -4.342 -7.382 -16.783 1.00 2.35 H new ATOM 0 HD3 ARG A 112 -2.678 -7.109 -16.305 1.00 2.35 H new ATOM 0 HE ARG A 112 -4.091 -9.649 -16.381 1.00 3.85 H new ATOM 0 HH11 ARG A 112 -1.384 -8.044 -14.668 1.00 5.50 H new ATOM 0 HH12 ARG A 112 -0.638 -9.601 -14.291 1.00 5.50 H new ATOM 0 HH21 ARG A 112 -3.040 -11.529 -15.853 1.00 6.64 H new ATOM 0 HH22 ARG A 112 -1.533 -11.482 -14.932 1.00 6.64 H new ATOM 1775 N GLU A 113 -4.663 -2.556 -13.697 1.00 0.74 N ATOM 1776 CA GLU A 113 -4.364 -1.116 -13.791 1.00 0.74 C ATOM 1777 C GLU A 113 -3.604 -0.605 -12.555 1.00 1.14 C ATOM 1778 O GLU A 113 -2.503 -0.065 -12.687 1.00 1.20 O ATOM 1779 CB GLU A 113 -5.618 -0.300 -14.076 1.00 0.84 C ATOM 1780 CG GLU A 113 -6.093 -0.525 -15.515 1.00 1.17 C ATOM 1781 CD GLU A 113 -5.202 0.129 -16.577 1.00 1.86 C ATOM 1782 OE1 GLU A 113 -4.134 -0.448 -16.893 1.00 2.94 O ATOM 1783 OE2 GLU A 113 -5.617 1.196 -17.079 1.00 2.58 O ATOM 0 H GLU A 113 -5.650 -2.790 -13.809 1.00 0.74 H new ATOM 0 HA GLU A 113 -3.698 -0.979 -14.643 1.00 0.74 H new ATOM 0 HB2 GLU A 113 -6.407 -0.581 -13.379 1.00 0.84 H new ATOM 0 HB3 GLU A 113 -5.414 0.759 -13.916 1.00 0.84 H new ATOM 0 HG2 GLU A 113 -6.142 -1.597 -15.707 1.00 1.17 H new ATOM 0 HG3 GLU A 113 -7.106 -0.137 -15.617 1.00 1.17 H new ATOM 1790 N ALA A 114 -4.103 -0.875 -11.341 1.00 0.74 N ATOM 1791 CA ALA A 114 -3.410 -0.512 -10.098 1.00 0.80 C ATOM 1792 C ALA A 114 -1.991 -1.098 -10.010 1.00 0.96 C ATOM 1793 O ALA A 114 -1.062 -0.415 -9.585 1.00 1.09 O ATOM 1794 CB ALA A 114 -4.270 -0.954 -8.910 1.00 0.93 C ATOM 0 H ALA A 114 -4.994 -1.349 -11.193 1.00 0.74 H new ATOM 0 HA ALA A 114 -3.280 0.570 -10.082 1.00 0.80 H new ATOM 0 HB1 ALA A 114 -3.768 -0.691 -7.979 1.00 0.93 H new ATOM 0 HB2 ALA A 114 -5.237 -0.453 -8.955 1.00 0.93 H new ATOM 0 HB3 ALA A 114 -4.418 -2.033 -8.950 1.00 0.93 H new ATOM 1800 N ALA A 115 -1.796 -2.348 -10.432 1.00 0.61 N ATOM 1801 CA ALA A 115 -0.487 -2.997 -10.453 1.00 0.60 C ATOM 1802 C ALA A 115 0.480 -2.381 -11.485 1.00 0.82 C ATOM 1803 O ALA A 115 1.654 -2.136 -11.185 1.00 0.90 O ATOM 1804 CB ALA A 115 -0.746 -4.473 -10.764 1.00 0.67 C ATOM 0 H ALA A 115 -2.551 -2.943 -10.772 1.00 0.61 H new ATOM 0 HA ALA A 115 0.005 -2.861 -9.490 1.00 0.60 H new ATOM 0 HB1 ALA A 115 0.202 -5.011 -10.793 1.00 0.67 H new ATOM 0 HB2 ALA A 115 -1.383 -4.902 -9.990 1.00 0.67 H new ATOM 0 HB3 ALA A 115 -1.241 -4.560 -11.731 1.00 0.67 H new ATOM 1810 N GLN A 116 -0.018 -2.152 -12.703 1.00 0.63 N ATOM 1811 CA GLN A 116 0.709 -1.656 -13.874 1.00 0.70 C ATOM 1812 C GLN A 116 1.221 -0.239 -13.643 1.00 1.17 C ATOM 1813 O GLN A 116 2.369 0.042 -13.993 1.00 1.31 O ATOM 1814 CB GLN A 116 -0.227 -1.735 -15.103 1.00 0.83 C ATOM 1815 CG GLN A 116 -0.363 -3.194 -15.579 1.00 1.16 C ATOM 1816 CD GLN A 116 -1.528 -3.541 -16.516 1.00 2.17 C ATOM 1817 OE1 GLN A 116 -1.677 -4.701 -16.883 1.00 2.50 O ATOM 1818 NE2 GLN A 116 -2.423 -2.659 -16.912 1.00 3.50 N ATOM 0 H GLN A 116 -1.003 -2.319 -12.910 1.00 0.63 H new ATOM 0 HA GLN A 116 1.588 -2.276 -14.054 1.00 0.70 H new ATOM 0 HB2 GLN A 116 -1.209 -1.336 -14.847 1.00 0.83 H new ATOM 0 HB3 GLN A 116 0.168 -1.117 -15.910 1.00 0.83 H new ATOM 0 HG2 GLN A 116 0.564 -3.469 -16.083 1.00 1.16 H new ATOM 0 HG3 GLN A 116 -0.445 -3.827 -14.696 1.00 1.16 H new ATOM 0 HE21 GLN A 116 -2.337 -1.683 -16.629 1.00 3.50 H new ATOM 0 HE22 GLN A 116 -3.202 -2.952 -17.501 1.00 3.50 H new ATOM 1827 N THR A 117 0.414 0.605 -12.981 1.00 0.73 N ATOM 1828 CA THR A 117 0.768 1.992 -12.626 1.00 0.87 C ATOM 1829 C THR A 117 2.098 2.055 -11.893 1.00 1.00 C ATOM 1830 O THR A 117 2.984 2.813 -12.285 1.00 0.93 O ATOM 1831 CB THR A 117 -0.374 2.635 -11.820 1.00 1.19 C ATOM 1832 OG1 THR A 117 -1.324 3.028 -12.776 1.00 1.50 O ATOM 1833 CG2 THR A 117 0.013 3.890 -11.032 1.00 1.73 C ATOM 0 H THR A 117 -0.521 0.339 -12.671 1.00 0.73 H new ATOM 0 HA THR A 117 0.896 2.568 -13.542 1.00 0.87 H new ATOM 0 HB THR A 117 -0.714 1.907 -11.083 1.00 1.19 H new ATOM 0 HG1 THR A 117 -1.930 3.690 -12.382 1.00 1.50 H new ATOM 0 HG21 THR A 117 -0.859 4.268 -10.498 1.00 1.73 H new ATOM 0 HG22 THR A 117 0.797 3.643 -10.317 1.00 1.73 H new ATOM 0 HG23 THR A 117 0.376 4.654 -11.720 1.00 1.73 H new ATOM 1841 N PHE A 118 2.242 1.291 -10.812 1.00 0.71 N ATOM 1842 CA PHE A 118 3.482 1.232 -10.038 1.00 0.80 C ATOM 1843 C PHE A 118 4.601 0.426 -10.720 1.00 1.86 C ATOM 1844 O PHE A 118 5.745 0.887 -10.722 1.00 2.36 O ATOM 1845 CB PHE A 118 3.175 0.722 -8.625 1.00 0.99 C ATOM 1846 CG PHE A 118 2.176 1.592 -7.885 1.00 0.93 C ATOM 1847 CD1 PHE A 118 2.514 2.907 -7.521 1.00 2.01 C ATOM 1848 CD2 PHE A 118 0.882 1.112 -7.624 1.00 2.17 C ATOM 1849 CE1 PHE A 118 1.555 3.743 -6.919 1.00 1.88 C ATOM 1850 CE2 PHE A 118 -0.080 1.945 -7.028 1.00 2.23 C ATOM 1851 CZ PHE A 118 0.256 3.262 -6.683 1.00 1.19 C ATOM 0 H PHE A 118 1.500 0.694 -10.447 1.00 0.71 H new ATOM 0 HA PHE A 118 3.880 2.245 -9.975 1.00 0.80 H new ATOM 0 HB2 PHE A 118 2.787 -0.295 -8.688 1.00 0.99 H new ATOM 0 HB3 PHE A 118 4.101 0.675 -8.053 1.00 0.99 H new ATOM 0 HD1 PHE A 118 3.512 3.277 -7.704 1.00 2.01 H new ATOM 0 HD2 PHE A 118 0.625 0.096 -7.883 1.00 2.17 H new ATOM 0 HE1 PHE A 118 1.817 4.753 -6.639 1.00 1.88 H new ATOM 0 HE2 PHE A 118 -1.075 1.572 -6.836 1.00 2.23 H new ATOM 0 HZ PHE A 118 -0.485 3.908 -6.235 1.00 1.19 H new ATOM 1861 N GLY A 119 4.268 -0.737 -11.303 1.00 0.70 N ATOM 1862 CA GLY A 119 5.214 -1.757 -11.800 1.00 0.70 C ATOM 1863 C GLY A 119 5.143 -3.110 -11.078 1.00 0.78 C ATOM 1864 O GLY A 119 6.123 -3.848 -11.087 1.00 0.89 O ATOM 0 H GLY A 119 3.295 -1.006 -11.448 1.00 0.70 H new ATOM 0 HA2 GLY A 119 5.028 -1.918 -12.862 1.00 0.70 H new ATOM 0 HA3 GLY A 119 6.228 -1.366 -11.710 1.00 0.70 H new ATOM 1868 N VAL A 120 4.009 -3.447 -10.463 1.00 0.60 N ATOM 1869 CA VAL A 120 3.743 -4.745 -9.811 1.00 0.60 C ATOM 1870 C VAL A 120 3.344 -5.768 -10.880 1.00 0.85 C ATOM 1871 O VAL A 120 2.541 -5.452 -11.762 1.00 1.02 O ATOM 1872 CB VAL A 120 2.611 -4.614 -8.759 1.00 0.66 C ATOM 1873 CG1 VAL A 120 2.186 -5.939 -8.105 1.00 0.97 C ATOM 1874 CG2 VAL A 120 2.994 -3.637 -7.643 1.00 1.15 C ATOM 0 H VAL A 120 3.218 -2.806 -10.399 1.00 0.60 H new ATOM 0 HA VAL A 120 4.646 -5.075 -9.297 1.00 0.60 H new ATOM 0 HB VAL A 120 1.762 -4.242 -9.333 1.00 0.66 H new ATOM 0 HG11 VAL A 120 1.391 -5.750 -7.384 1.00 0.97 H new ATOM 0 HG12 VAL A 120 1.825 -6.624 -8.872 1.00 0.97 H new ATOM 0 HG13 VAL A 120 3.040 -6.383 -7.595 1.00 0.97 H new ATOM 0 HG21 VAL A 120 2.178 -3.569 -6.923 1.00 1.15 H new ATOM 0 HG22 VAL A 120 3.893 -3.993 -7.140 1.00 1.15 H new ATOM 0 HG23 VAL A 120 3.184 -2.652 -8.071 1.00 1.15 H new ATOM 1884 N PHE A 121 3.865 -6.997 -10.791 1.00 0.82 N ATOM 1885 CA PHE A 121 3.536 -8.083 -11.719 1.00 0.91 C ATOM 1886 C PHE A 121 3.057 -9.336 -10.974 1.00 1.67 C ATOM 1887 O PHE A 121 3.630 -9.750 -9.962 1.00 1.75 O ATOM 1888 CB PHE A 121 4.718 -8.351 -12.663 1.00 1.00 C ATOM 1889 CG PHE A 121 6.048 -8.626 -11.989 1.00 1.10 C ATOM 1890 CD1 PHE A 121 6.892 -7.554 -11.631 1.00 1.98 C ATOM 1891 CD2 PHE A 121 6.448 -9.951 -11.731 1.00 2.26 C ATOM 1892 CE1 PHE A 121 8.127 -7.814 -11.012 1.00 1.98 C ATOM 1893 CE2 PHE A 121 7.685 -10.207 -11.115 1.00 2.20 C ATOM 1894 CZ PHE A 121 8.524 -9.137 -10.755 1.00 1.38 C ATOM 0 H PHE A 121 4.531 -7.267 -10.068 1.00 0.82 H new ATOM 0 HA PHE A 121 2.695 -7.774 -12.341 1.00 0.91 H new ATOM 0 HB2 PHE A 121 4.469 -9.203 -13.295 1.00 1.00 H new ATOM 0 HB3 PHE A 121 4.836 -7.490 -13.321 1.00 1.00 H new ATOM 0 HD1 PHE A 121 6.590 -6.537 -11.832 1.00 1.98 H new ATOM 0 HD2 PHE A 121 5.803 -10.772 -12.007 1.00 2.26 H new ATOM 0 HE1 PHE A 121 8.773 -6.994 -10.733 1.00 1.98 H new ATOM 0 HE2 PHE A 121 7.991 -11.224 -10.918 1.00 2.20 H new ATOM 0 HZ PHE A 121 9.474 -9.333 -10.281 1.00 1.38 H new ATOM 1904 N TYR A 122 1.940 -9.888 -11.458 1.00 0.93 N ATOM 1905 CA TYR A 122 1.285 -11.062 -10.877 1.00 0.95 C ATOM 1906 C TYR A 122 0.633 -11.994 -11.914 1.00 1.24 C ATOM 1907 O TYR A 122 0.053 -11.546 -12.918 1.00 1.34 O ATOM 1908 CB TYR A 122 0.278 -10.627 -9.795 1.00 0.95 C ATOM 1909 CG TYR A 122 -1.004 -10.007 -10.319 1.00 0.92 C ATOM 1910 CD1 TYR A 122 -1.008 -8.684 -10.807 1.00 2.02 C ATOM 1911 CD2 TYR A 122 -2.196 -10.758 -10.320 1.00 1.68 C ATOM 1912 CE1 TYR A 122 -2.197 -8.120 -11.305 1.00 2.11 C ATOM 1913 CE2 TYR A 122 -3.393 -10.192 -10.795 1.00 1.77 C ATOM 1914 CZ TYR A 122 -3.394 -8.871 -11.298 1.00 1.27 C ATOM 1915 OH TYR A 122 -4.542 -8.323 -11.778 1.00 1.64 O ATOM 0 H TYR A 122 1.458 -9.524 -12.280 1.00 0.93 H new ATOM 0 HA TYR A 122 2.072 -11.660 -10.417 1.00 0.95 H new ATOM 0 HB2 TYR A 122 0.022 -11.496 -9.189 1.00 0.95 H new ATOM 0 HB3 TYR A 122 0.766 -9.911 -9.134 1.00 0.95 H new ATOM 0 HD1 TYR A 122 -0.098 -8.103 -10.798 1.00 2.02 H new ATOM 0 HD2 TYR A 122 -2.191 -11.774 -9.954 1.00 1.68 H new ATOM 0 HE1 TYR A 122 -2.195 -7.112 -11.693 1.00 2.11 H new ATOM 0 HE2 TYR A 122 -4.308 -10.765 -10.775 1.00 1.77 H new ATOM 0 HH TYR A 122 -5.272 -8.973 -11.701 1.00 1.64 H new ATOM 1925 N GLN A 123 0.669 -13.293 -11.612 1.00 1.07 N ATOM 1926 CA GLN A 123 -0.040 -14.366 -12.308 1.00 1.26 C ATOM 1927 C GLN A 123 -0.757 -15.240 -11.258 1.00 1.41 C ATOM 1928 O GLN A 123 -0.706 -14.939 -10.067 1.00 1.82 O ATOM 1929 CB GLN A 123 0.925 -15.209 -13.180 1.00 1.66 C ATOM 1930 CG GLN A 123 1.969 -14.451 -14.026 1.00 2.06 C ATOM 1931 CD GLN A 123 3.095 -13.799 -13.215 1.00 2.64 C ATOM 1932 OE1 GLN A 123 3.314 -12.599 -13.286 1.00 3.81 O ATOM 1933 NE2 GLN A 123 3.807 -14.528 -12.383 1.00 2.99 N ATOM 0 H GLN A 123 1.225 -13.643 -10.832 1.00 1.07 H new ATOM 0 HA GLN A 123 -0.775 -13.935 -12.987 1.00 1.26 H new ATOM 0 HB2 GLN A 123 1.459 -15.895 -12.523 1.00 1.66 H new ATOM 0 HB3 GLN A 123 0.323 -15.818 -13.855 1.00 1.66 H new ATOM 0 HG2 GLN A 123 2.409 -15.144 -14.743 1.00 2.06 H new ATOM 0 HG3 GLN A 123 1.459 -13.678 -14.602 1.00 2.06 H new ATOM 0 HE21 GLN A 123 3.638 -15.531 -12.311 1.00 2.99 H new ATOM 0 HE22 GLN A 123 4.528 -14.090 -11.810 1.00 2.99 H new ATOM 1942 N LYS A 124 -1.428 -16.312 -11.684 1.00 1.10 N ATOM 1943 CA LYS A 124 -1.784 -17.433 -10.800 1.00 1.02 C ATOM 1944 C LYS A 124 -1.654 -18.783 -11.527 1.00 1.32 C ATOM 1945 O LYS A 124 -1.920 -18.875 -12.730 1.00 1.80 O ATOM 1946 CB LYS A 124 -3.157 -17.216 -10.136 1.00 1.23 C ATOM 1947 CG LYS A 124 -4.314 -16.906 -11.096 1.00 1.64 C ATOM 1948 CD LYS A 124 -5.673 -16.958 -10.380 1.00 1.99 C ATOM 1949 CE LYS A 124 -5.727 -16.075 -9.126 1.00 2.94 C ATOM 1950 NZ LYS A 124 -7.091 -16.071 -8.560 1.00 3.48 N ATOM 0 H LYS A 124 -1.741 -16.431 -12.648 1.00 1.10 H new ATOM 0 HA LYS A 124 -1.064 -17.465 -9.982 1.00 1.02 H new ATOM 0 HB2 LYS A 124 -3.411 -18.110 -9.566 1.00 1.23 H new ATOM 0 HB3 LYS A 124 -3.071 -16.397 -9.422 1.00 1.23 H new ATOM 0 HG2 LYS A 124 -4.170 -15.918 -11.533 1.00 1.64 H new ATOM 0 HG3 LYS A 124 -4.307 -17.622 -11.918 1.00 1.64 H new ATOM 0 HD2 LYS A 124 -6.454 -16.644 -11.072 1.00 1.99 H new ATOM 0 HD3 LYS A 124 -5.891 -17.989 -10.101 1.00 1.99 H new ATOM 0 HE2 LYS A 124 -5.019 -16.443 -8.383 1.00 2.94 H new ATOM 0 HE3 LYS A 124 -5.427 -15.057 -9.376 1.00 2.94 H new ATOM 0 HZ1 LYS A 124 -7.536 -15.148 -8.734 1.00 3.48 H new ATOM 0 HZ2 LYS A 124 -7.656 -16.819 -9.011 1.00 3.48 H new ATOM 0 HZ3 LYS A 124 -7.042 -16.244 -7.536 1.00 3.48 H new ATOM 2120 N VAL A 135 -1.237 -18.191 -6.169 1.00 1.29 N ATOM 2121 CA VAL A 135 -1.014 -16.850 -6.739 1.00 1.12 C ATOM 2122 C VAL A 135 0.493 -16.623 -6.886 1.00 1.47 C ATOM 2123 O VAL A 135 1.242 -16.848 -5.937 1.00 1.69 O ATOM 2124 CB VAL A 135 -1.615 -15.717 -5.868 1.00 1.55 C ATOM 2125 CG1 VAL A 135 -1.651 -14.398 -6.654 1.00 2.41 C ATOM 2126 CG2 VAL A 135 -3.046 -16.027 -5.405 1.00 2.31 C ATOM 0 HA VAL A 135 -1.518 -16.815 -7.705 1.00 1.12 H new ATOM 0 HB VAL A 135 -0.971 -15.633 -4.992 1.00 1.55 H new ATOM 0 HG11 VAL A 135 -2.076 -13.613 -6.028 1.00 2.41 H new ATOM 0 HG12 VAL A 135 -0.638 -14.121 -6.946 1.00 2.41 H new ATOM 0 HG13 VAL A 135 -2.265 -14.523 -7.546 1.00 2.41 H new ATOM 0 HG21 VAL A 135 -3.419 -15.202 -4.799 1.00 2.31 H new ATOM 0 HG22 VAL A 135 -3.689 -16.158 -6.275 1.00 2.31 H new ATOM 0 HG23 VAL A 135 -3.046 -16.942 -4.812 1.00 2.31 H new ATOM 2136 N ASP A 136 0.923 -16.160 -8.059 1.00 1.22 N ATOM 2137 CA ASP A 136 2.324 -15.894 -8.400 1.00 1.75 C ATOM 2138 C ASP A 136 2.581 -14.376 -8.402 1.00 1.66 C ATOM 2139 O ASP A 136 2.736 -13.746 -9.452 1.00 1.98 O ATOM 2140 CB ASP A 136 2.660 -16.483 -9.777 1.00 2.33 C ATOM 2141 CG ASP A 136 2.137 -17.892 -10.044 1.00 3.81 C ATOM 2142 OD1 ASP A 136 2.571 -18.842 -9.363 1.00 4.40 O ATOM 2143 OD2 ASP A 136 1.336 -18.017 -10.999 1.00 5.03 O ATOM 0 H ASP A 136 0.284 -15.952 -8.827 1.00 1.22 H new ATOM 0 HA ASP A 136 2.963 -16.366 -7.653 1.00 1.75 H new ATOM 0 HB2 ASP A 136 2.262 -15.817 -10.543 1.00 2.33 H new ATOM 0 HB3 ASP A 136 3.744 -16.490 -9.893 1.00 2.33 H new ATOM 2148 N HIS A 137 2.542 -13.751 -7.227 1.00 1.42 N ATOM 2149 CA HIS A 137 2.532 -12.289 -7.130 1.00 1.30 C ATOM 2150 C HIS A 137 3.798 -11.647 -6.551 1.00 1.60 C ATOM 2151 O HIS A 137 4.391 -12.103 -5.572 1.00 1.71 O ATOM 2152 CB HIS A 137 1.272 -11.779 -6.418 1.00 1.39 C ATOM 2153 CG HIS A 137 1.289 -11.781 -4.910 1.00 1.41 C ATOM 2154 ND1 HIS A 137 1.448 -10.672 -4.116 1.00 2.09 N ATOM 2155 CD2 HIS A 137 1.073 -12.848 -4.077 1.00 1.98 C ATOM 2156 CE1 HIS A 137 1.338 -11.059 -2.833 1.00 2.41 C ATOM 2157 NE2 HIS A 137 1.114 -12.380 -2.757 1.00 2.15 N ATOM 0 H HIS A 137 2.517 -14.232 -6.328 1.00 1.42 H new ATOM 0 HA HIS A 137 2.517 -11.959 -8.169 1.00 1.30 H new ATOM 0 HB2 HIS A 137 1.083 -10.759 -6.753 1.00 1.39 H new ATOM 0 HB3 HIS A 137 0.428 -12.385 -6.748 1.00 1.39 H new ATOM 0 HD1 HIS A 137 1.620 -9.721 -4.442 1.00 2.09 H new ATOM 0 HD2 HIS A 137 0.901 -13.869 -4.384 1.00 1.98 H new ATOM 0 HE1 HIS A 137 1.419 -10.399 -1.982 1.00 2.41 H new ATOM 2166 N THR A 138 4.127 -10.496 -7.137 1.00 1.33 N ATOM 2167 CA THR A 138 4.920 -9.447 -6.500 1.00 1.13 C ATOM 2168 C THR A 138 4.130 -8.895 -5.318 1.00 1.62 C ATOM 2169 O THR A 138 2.947 -8.581 -5.454 1.00 2.77 O ATOM 2170 CB THR A 138 5.217 -8.356 -7.530 1.00 1.14 C ATOM 2171 OG1 THR A 138 6.032 -8.910 -8.524 1.00 1.79 O ATOM 2172 CG2 THR A 138 5.956 -7.152 -6.957 1.00 1.04 C ATOM 0 H THR A 138 3.843 -10.263 -8.088 1.00 1.33 H new ATOM 0 HA THR A 138 5.869 -9.838 -6.134 1.00 1.13 H new ATOM 0 HB THR A 138 4.255 -8.004 -7.904 1.00 1.14 H new ATOM 0 HG1 THR A 138 5.471 -9.312 -9.220 1.00 1.79 H new ATOM 0 HG21 THR A 138 6.130 -6.422 -7.748 1.00 1.04 H new ATOM 0 HG22 THR A 138 5.355 -6.697 -6.169 1.00 1.04 H new ATOM 0 HG23 THR A 138 6.912 -7.475 -6.544 1.00 1.04 H new ATOM 2180 N ALA A 139 4.779 -8.753 -4.164 1.00 0.91 N ATOM 2181 CA ALA A 139 4.295 -7.958 -3.039 1.00 1.07 C ATOM 2182 C ALA A 139 5.250 -6.771 -2.860 1.00 1.28 C ATOM 2183 O ALA A 139 6.454 -6.967 -2.690 1.00 2.03 O ATOM 2184 CB ALA A 139 4.250 -8.840 -1.784 1.00 1.18 C ATOM 0 H ALA A 139 5.678 -9.199 -3.982 1.00 0.91 H new ATOM 0 HA ALA A 139 3.288 -7.582 -3.218 1.00 1.07 H new ATOM 0 HB1 ALA A 139 3.889 -8.253 -0.939 1.00 1.18 H new ATOM 0 HB2 ALA A 139 3.578 -9.681 -1.954 1.00 1.18 H new ATOM 0 HB3 ALA A 139 5.251 -9.213 -1.566 1.00 1.18 H new ATOM 2190 N THR A 140 4.759 -5.531 -2.975 1.00 0.75 N ATOM 2191 CA THR A 140 5.603 -4.323 -2.894 1.00 0.70 C ATOM 2192 C THR A 140 4.857 -3.191 -2.205 1.00 0.72 C ATOM 2193 O THR A 140 3.624 -3.160 -2.205 1.00 1.00 O ATOM 2194 CB THR A 140 6.163 -3.928 -4.274 1.00 0.78 C ATOM 2195 OG1 THR A 140 6.811 -5.055 -4.799 1.00 1.26 O ATOM 2196 CG2 THR A 140 7.233 -2.836 -4.268 1.00 0.75 C ATOM 0 H THR A 140 3.770 -5.333 -3.126 1.00 0.75 H new ATOM 0 HA THR A 140 6.472 -4.549 -2.276 1.00 0.70 H new ATOM 0 HB THR A 140 5.307 -3.557 -4.837 1.00 0.78 H new ATOM 0 HG1 THR A 140 7.180 -4.839 -5.681 1.00 1.26 H new ATOM 0 HG21 THR A 140 7.556 -2.637 -5.290 1.00 0.75 H new ATOM 0 HG22 THR A 140 6.821 -1.925 -3.834 1.00 0.75 H new ATOM 0 HG23 THR A 140 8.086 -3.166 -3.676 1.00 0.75 H new ATOM 2204 N THR A 141 5.642 -2.291 -1.607 1.00 0.58 N ATOM 2205 CA THR A 141 5.207 -1.128 -0.841 1.00 0.55 C ATOM 2206 C THR A 141 5.572 0.129 -1.628 1.00 0.85 C ATOM 2207 O THR A 141 6.628 0.195 -2.259 1.00 1.01 O ATOM 2208 CB THR A 141 5.879 -1.117 0.539 1.00 0.89 C ATOM 2209 OG1 THR A 141 5.930 -2.418 1.080 1.00 1.35 O ATOM 2210 CG2 THR A 141 5.155 -0.216 1.539 1.00 1.26 C ATOM 0 H THR A 141 6.659 -2.362 -1.649 1.00 0.58 H new ATOM 0 HA THR A 141 4.129 -1.165 -0.685 1.00 0.55 H new ATOM 0 HB THR A 141 6.884 -0.726 0.379 1.00 0.89 H new ATOM 0 HG1 THR A 141 6.363 -2.390 1.959 1.00 1.35 H new ATOM 0 HG21 THR A 141 5.673 -0.246 2.498 1.00 1.26 H new ATOM 0 HG22 THR A 141 5.144 0.808 1.165 1.00 1.26 H new ATOM 0 HG23 THR A 141 4.131 -0.566 1.669 1.00 1.26 H new ATOM 2218 N PHE A 142 4.721 1.150 -1.594 1.00 0.59 N ATOM 2219 CA PHE A 142 4.890 2.355 -2.413 1.00 0.62 C ATOM 2220 C PHE A 142 4.593 3.623 -1.618 1.00 1.88 C ATOM 2221 O PHE A 142 3.627 3.658 -0.852 1.00 2.29 O ATOM 2222 CB PHE A 142 3.980 2.261 -3.648 1.00 0.68 C ATOM 2223 CG PHE A 142 4.275 1.076 -4.537 1.00 0.75 C ATOM 2224 CD1 PHE A 142 5.419 1.076 -5.354 1.00 2.03 C ATOM 2225 CD2 PHE A 142 3.433 -0.052 -4.508 1.00 2.17 C ATOM 2226 CE1 PHE A 142 5.723 -0.050 -6.140 1.00 2.05 C ATOM 2227 CE2 PHE A 142 3.733 -1.172 -5.297 1.00 2.02 C ATOM 2228 CZ PHE A 142 4.877 -1.170 -6.115 1.00 0.83 C ATOM 0 H PHE A 142 3.893 1.169 -0.999 1.00 0.59 H new ATOM 0 HA PHE A 142 5.931 2.415 -2.731 1.00 0.62 H new ATOM 0 HB2 PHE A 142 2.942 2.207 -3.319 1.00 0.68 H new ATOM 0 HB3 PHE A 142 4.082 3.175 -4.232 1.00 0.68 H new ATOM 0 HD1 PHE A 142 6.065 1.941 -5.378 1.00 2.03 H new ATOM 0 HD2 PHE A 142 2.556 -0.055 -3.878 1.00 2.17 H new ATOM 0 HE1 PHE A 142 6.606 -0.053 -6.762 1.00 2.05 H new ATOM 0 HE2 PHE A 142 3.085 -2.036 -5.276 1.00 2.02 H new ATOM 0 HZ PHE A 142 5.105 -2.032 -6.725 1.00 0.83 H new ATOM 2238 N VAL A 143 5.396 4.675 -1.825 1.00 0.54 N ATOM 2239 CA VAL A 143 5.181 5.970 -1.157 1.00 0.54 C ATOM 2240 C VAL A 143 4.782 7.012 -2.187 1.00 0.74 C ATOM 2241 O VAL A 143 5.540 7.356 -3.097 1.00 0.95 O ATOM 2242 CB VAL A 143 6.386 6.450 -0.328 1.00 0.60 C ATOM 2243 CG1 VAL A 143 6.011 7.705 0.478 1.00 0.68 C ATOM 2244 CG2 VAL A 143 6.836 5.351 0.643 1.00 0.98 C ATOM 0 H VAL A 143 6.202 4.657 -2.450 1.00 0.54 H new ATOM 0 HA VAL A 143 4.374 5.826 -0.438 1.00 0.54 H new ATOM 0 HB VAL A 143 7.199 6.685 -1.014 1.00 0.60 H new ATOM 0 HG11 VAL A 143 6.872 8.034 1.060 1.00 0.68 H new ATOM 0 HG12 VAL A 143 5.709 8.499 -0.205 1.00 0.68 H new ATOM 0 HG13 VAL A 143 5.186 7.472 1.151 1.00 0.68 H new ATOM 0 HG21 VAL A 143 7.689 5.704 1.223 1.00 0.98 H new ATOM 0 HG22 VAL A 143 6.016 5.103 1.318 1.00 0.98 H new ATOM 0 HG23 VAL A 143 7.123 4.463 0.080 1.00 0.98 H new ATOM 2254 N VAL A 144 3.557 7.488 -2.008 1.00 0.52 N ATOM 2255 CA VAL A 144 2.877 8.450 -2.883 1.00 0.61 C ATOM 2256 C VAL A 144 2.592 9.757 -2.134 1.00 0.96 C ATOM 2257 O VAL A 144 2.078 9.762 -1.019 1.00 0.94 O ATOM 2258 CB VAL A 144 1.594 7.846 -3.505 1.00 0.84 C ATOM 2259 CG1 VAL A 144 0.851 8.852 -4.402 1.00 1.46 C ATOM 2260 CG2 VAL A 144 1.958 6.617 -4.360 1.00 1.64 C ATOM 0 H VAL A 144 2.980 7.205 -1.216 1.00 0.52 H new ATOM 0 HA VAL A 144 3.545 8.684 -3.712 1.00 0.61 H new ATOM 0 HB VAL A 144 0.940 7.570 -2.678 1.00 0.84 H new ATOM 0 HG11 VAL A 144 -0.041 8.382 -4.815 1.00 1.46 H new ATOM 0 HG12 VAL A 144 0.563 9.722 -3.812 1.00 1.46 H new ATOM 0 HG13 VAL A 144 1.505 9.166 -5.216 1.00 1.46 H new ATOM 0 HG21 VAL A 144 1.052 6.196 -4.795 1.00 1.64 H new ATOM 0 HG22 VAL A 144 2.638 6.917 -5.157 1.00 1.64 H new ATOM 0 HG23 VAL A 144 2.442 5.868 -3.733 1.00 1.64 H new ATOM 2270 N LYS A 145 2.939 10.865 -2.784 1.00 0.66 N ATOM 2271 CA LYS A 145 2.880 12.266 -2.343 1.00 0.65 C ATOM 2272 C LYS A 145 2.428 13.076 -3.566 1.00 0.89 C ATOM 2273 O LYS A 145 2.989 12.879 -4.642 1.00 1.17 O ATOM 2274 CB LYS A 145 4.314 12.636 -1.886 1.00 0.89 C ATOM 2275 CG LYS A 145 4.747 14.113 -1.748 1.00 1.58 C ATOM 2276 CD LYS A 145 4.185 14.883 -0.543 1.00 1.23 C ATOM 2277 CE LYS A 145 5.010 16.160 -0.270 1.00 1.71 C ATOM 2278 NZ LYS A 145 4.698 17.302 -1.165 1.00 2.59 N ATOM 0 H LYS A 145 3.308 10.802 -3.733 1.00 0.66 H new ATOM 0 HA LYS A 145 2.191 12.458 -1.520 1.00 0.65 H new ATOM 0 HB2 LYS A 145 4.472 12.165 -0.916 1.00 0.89 H new ATOM 0 HB3 LYS A 145 5.004 12.165 -2.586 1.00 0.89 H new ATOM 0 HG2 LYS A 145 5.835 14.146 -1.696 1.00 1.58 H new ATOM 0 HG3 LYS A 145 4.455 14.640 -2.656 1.00 1.58 H new ATOM 0 HD2 LYS A 145 3.145 15.150 -0.730 1.00 1.23 H new ATOM 0 HD3 LYS A 145 4.196 14.243 0.339 1.00 1.23 H new ATOM 0 HE2 LYS A 145 4.845 16.469 0.762 1.00 1.71 H new ATOM 0 HE3 LYS A 145 6.069 15.920 -0.366 1.00 1.71 H new ATOM 0 HZ1 LYS A 145 5.405 18.053 -1.029 1.00 2.59 H new ATOM 0 HZ2 LYS A 145 4.718 16.983 -2.155 1.00 2.59 H new ATOM 0 HZ3 LYS A 145 3.752 17.672 -0.940 1.00 2.59 H new ATOM 2292 N GLU A 146 1.429 13.963 -3.454 1.00 0.81 N ATOM 2293 CA GLU A 146 1.150 14.980 -4.500 1.00 0.93 C ATOM 2294 C GLU A 146 0.429 14.416 -5.751 1.00 1.29 C ATOM 2295 O GLU A 146 0.376 15.081 -6.783 1.00 1.62 O ATOM 2296 CB GLU A 146 2.475 15.664 -4.906 1.00 1.01 C ATOM 2297 CG GLU A 146 2.494 17.183 -4.938 1.00 1.44 C ATOM 2298 CD GLU A 146 3.970 17.560 -4.893 1.00 1.64 C ATOM 2299 OE1 GLU A 146 4.608 17.493 -5.967 1.00 2.14 O ATOM 2300 OE2 GLU A 146 4.474 17.760 -3.766 1.00 2.76 O ATOM 0 H GLU A 146 0.797 14.004 -2.654 1.00 0.81 H new ATOM 0 HA GLU A 146 0.459 15.702 -4.065 1.00 0.93 H new ATOM 0 HB2 GLU A 146 3.251 15.331 -4.217 1.00 1.01 H new ATOM 0 HB3 GLU A 146 2.752 15.302 -5.896 1.00 1.01 H new ATOM 0 HG2 GLU A 146 2.016 17.565 -5.840 1.00 1.44 H new ATOM 0 HG3 GLU A 146 1.953 17.602 -4.089 1.00 1.44 H new ATOM 2307 N GLY A 147 -0.046 13.159 -5.715 1.00 0.99 N ATOM 2308 CA GLY A 147 -0.475 12.400 -6.908 1.00 1.05 C ATOM 2309 C GLY A 147 0.685 11.704 -7.639 1.00 0.98 C ATOM 2310 O GLY A 147 0.567 11.335 -8.810 1.00 1.06 O ATOM 0 H GLY A 147 -0.145 12.633 -4.847 1.00 0.99 H new ATOM 0 HA2 GLY A 147 -1.208 11.651 -6.609 1.00 1.05 H new ATOM 0 HA3 GLY A 147 -0.976 13.077 -7.600 1.00 1.05 H new ATOM 2314 N ARG A 148 1.838 11.560 -6.972 1.00 0.91 N ATOM 2315 CA ARG A 148 3.086 11.113 -7.590 1.00 0.84 C ATOM 2316 C ARG A 148 3.881 10.160 -6.690 1.00 1.17 C ATOM 2317 O ARG A 148 3.878 10.255 -5.465 1.00 1.39 O ATOM 2318 CB ARG A 148 3.960 12.317 -7.951 1.00 1.06 C ATOM 2319 CG ARG A 148 3.244 13.490 -8.634 1.00 2.05 C ATOM 2320 CD ARG A 148 4.242 14.623 -8.862 1.00 2.00 C ATOM 2321 NE ARG A 148 3.671 15.651 -9.751 1.00 2.78 N ATOM 2322 CZ ARG A 148 3.744 16.976 -9.643 1.00 3.22 C ATOM 2323 NH1 ARG A 148 4.263 17.615 -8.619 1.00 3.54 N ATOM 2324 NH2 ARG A 148 3.269 17.725 -10.615 1.00 4.07 N ATOM 0 H ARG A 148 1.928 11.754 -5.975 1.00 0.91 H new ATOM 0 HA ARG A 148 2.811 10.565 -8.491 1.00 0.84 H new ATOM 0 HB2 ARG A 148 4.430 12.686 -7.039 1.00 1.06 H new ATOM 0 HB3 ARG A 148 4.761 11.975 -8.607 1.00 1.06 H new ATOM 0 HG2 ARG A 148 2.818 13.168 -9.584 1.00 2.05 H new ATOM 0 HG3 ARG A 148 2.417 13.837 -8.015 1.00 2.05 H new ATOM 0 HD2 ARG A 148 4.514 15.072 -7.907 1.00 2.00 H new ATOM 0 HD3 ARG A 148 5.158 14.225 -9.299 1.00 2.00 H new ATOM 0 HE ARG A 148 3.151 15.301 -10.556 1.00 2.78 H new ATOM 0 HH11 ARG A 148 4.647 17.091 -7.832 1.00 3.54 H new ATOM 0 HH12 ARG A 148 4.282 18.635 -8.611 1.00 3.54 H new ATOM 0 HH21 ARG A 148 2.852 17.289 -11.437 1.00 4.07 H new ATOM 0 HH22 ARG A 148 3.318 18.741 -10.546 1.00 4.07 H new ATOM 2338 N LEU A 149 4.601 9.234 -7.307 1.00 0.66 N ATOM 2339 CA LEU A 149 5.379 8.198 -6.639 1.00 0.60 C ATOM 2340 C LEU A 149 6.765 8.766 -6.346 1.00 0.91 C ATOM 2341 O LEU A 149 7.523 9.055 -7.268 1.00 1.18 O ATOM 2342 CB LEU A 149 5.405 6.942 -7.529 1.00 0.73 C ATOM 2343 CG LEU A 149 6.100 5.718 -6.901 1.00 0.83 C ATOM 2344 CD1 LEU A 149 5.291 5.135 -5.737 1.00 1.82 C ATOM 2345 CD2 LEU A 149 6.265 4.627 -7.966 1.00 1.93 C ATOM 0 H LEU A 149 4.662 9.181 -8.324 1.00 0.66 H new ATOM 0 HA LEU A 149 4.939 7.897 -5.688 1.00 0.60 H new ATOM 0 HB2 LEU A 149 4.380 6.671 -7.780 1.00 0.73 H new ATOM 0 HB3 LEU A 149 5.908 7.187 -8.464 1.00 0.73 H new ATOM 0 HG LEU A 149 7.067 6.048 -6.521 1.00 0.83 H new ATOM 0 HD11 LEU A 149 5.817 4.274 -5.324 1.00 1.82 H new ATOM 0 HD12 LEU A 149 5.170 5.893 -4.963 1.00 1.82 H new ATOM 0 HD13 LEU A 149 4.310 4.823 -6.096 1.00 1.82 H new ATOM 0 HD21 LEU A 149 6.756 3.760 -7.525 1.00 1.93 H new ATOM 0 HD22 LEU A 149 5.285 4.336 -8.344 1.00 1.93 H new ATOM 0 HD23 LEU A 149 6.871 5.009 -8.787 1.00 1.93 H new ATOM 2357 N VAL A 150 7.074 8.930 -5.065 1.00 0.58 N ATOM 2358 CA VAL A 150 8.341 9.517 -4.588 1.00 0.61 C ATOM 2359 C VAL A 150 9.330 8.468 -4.057 1.00 0.95 C ATOM 2360 O VAL A 150 10.508 8.777 -3.874 1.00 1.10 O ATOM 2361 CB VAL A 150 8.080 10.601 -3.520 1.00 0.66 C ATOM 2362 CG1 VAL A 150 7.480 11.852 -4.182 1.00 1.48 C ATOM 2363 CG2 VAL A 150 7.131 10.113 -2.411 1.00 1.19 C ATOM 0 H VAL A 150 6.447 8.657 -4.308 1.00 0.58 H new ATOM 0 HA VAL A 150 8.809 9.978 -5.458 1.00 0.61 H new ATOM 0 HB VAL A 150 9.040 10.836 -3.060 1.00 0.66 H new ATOM 0 HG11 VAL A 150 7.298 12.613 -3.423 1.00 1.48 H new ATOM 0 HG12 VAL A 150 8.176 12.240 -4.925 1.00 1.48 H new ATOM 0 HG13 VAL A 150 6.539 11.591 -4.667 1.00 1.48 H new ATOM 0 HG21 VAL A 150 6.979 10.911 -1.685 1.00 1.19 H new ATOM 0 HG22 VAL A 150 6.173 9.834 -2.849 1.00 1.19 H new ATOM 0 HG23 VAL A 150 7.568 9.248 -1.913 1.00 1.19 H new ATOM 2373 N LEU A 151 8.866 7.228 -3.842 1.00 0.63 N ATOM 2374 CA LEU A 151 9.662 6.167 -3.225 1.00 0.72 C ATOM 2375 C LEU A 151 9.056 4.776 -3.415 1.00 1.24 C ATOM 2376 O LEU A 151 7.837 4.595 -3.296 1.00 1.31 O ATOM 2377 CB LEU A 151 9.845 6.504 -1.729 1.00 0.73 C ATOM 2378 CG LEU A 151 11.322 6.679 -1.371 1.00 0.97 C ATOM 2379 CD1 LEU A 151 11.482 7.617 -0.185 1.00 0.99 C ATOM 2380 CD2 LEU A 151 11.970 5.337 -1.053 1.00 1.14 C ATOM 0 H LEU A 151 7.922 6.936 -4.094 1.00 0.63 H new ATOM 0 HA LEU A 151 10.631 6.127 -3.723 1.00 0.72 H new ATOM 0 HB2 LEU A 151 9.301 7.418 -1.492 1.00 0.73 H new ATOM 0 HB3 LEU A 151 9.414 5.709 -1.120 1.00 0.73 H new ATOM 0 HG LEU A 151 11.821 7.113 -2.237 1.00 0.97 H new ATOM 0 HD11 LEU A 151 12.540 7.727 0.052 1.00 0.99 H new ATOM 0 HD12 LEU A 151 11.063 8.592 -0.433 1.00 0.99 H new ATOM 0 HD13 LEU A 151 10.958 7.206 0.678 1.00 0.99 H new ATOM 0 HD21 LEU A 151 13.020 5.490 -0.802 1.00 1.14 H new ATOM 0 HD22 LEU A 151 11.458 4.877 -0.208 1.00 1.14 H new ATOM 0 HD23 LEU A 151 11.897 4.683 -1.922 1.00 1.14 H new ATOM 2392 N LEU A 152 9.932 3.789 -3.644 1.00 0.96 N ATOM 2393 CA LEU A 152 9.599 2.362 -3.547 1.00 0.88 C ATOM 2394 C LEU A 152 10.126 1.784 -2.231 1.00 1.18 C ATOM 2395 O LEU A 152 11.256 2.063 -1.823 1.00 1.28 O ATOM 2396 CB LEU A 152 10.183 1.530 -4.709 1.00 0.89 C ATOM 2397 CG LEU A 152 10.138 2.146 -6.118 1.00 1.01 C ATOM 2398 CD1 LEU A 152 10.773 1.167 -7.114 1.00 1.17 C ATOM 2399 CD2 LEU A 152 8.701 2.437 -6.554 1.00 1.28 C ATOM 0 H LEU A 152 10.903 3.961 -3.905 1.00 0.96 H new ATOM 0 HA LEU A 152 8.512 2.299 -3.594 1.00 0.88 H new ATOM 0 HB2 LEU A 152 11.223 1.307 -4.473 1.00 0.89 H new ATOM 0 HB3 LEU A 152 9.652 0.578 -4.741 1.00 0.89 H new ATOM 0 HG LEU A 152 10.688 3.087 -6.098 1.00 1.01 H new ATOM 0 HD11 LEU A 152 10.745 1.597 -8.115 1.00 1.17 H new ATOM 0 HD12 LEU A 152 11.808 0.979 -6.829 1.00 1.17 H new ATOM 0 HD13 LEU A 152 10.218 0.229 -7.106 1.00 1.17 H new ATOM 0 HD21 LEU A 152 8.705 2.872 -7.554 1.00 1.28 H new ATOM 0 HD22 LEU A 152 8.129 1.509 -6.564 1.00 1.28 H new ATOM 0 HD23 LEU A 152 8.244 3.138 -5.856 1.00 1.28 H new ATOM 2411 N TYR A 153 9.338 0.904 -1.621 1.00 0.80 N ATOM 2412 CA TYR A 153 9.744 0.074 -0.490 1.00 0.82 C ATOM 2413 C TYR A 153 9.458 -1.421 -0.741 1.00 1.24 C ATOM 2414 O TYR A 153 8.570 -1.824 -1.486 1.00 1.62 O ATOM 2415 CB TYR A 153 9.092 0.589 0.808 1.00 0.80 C ATOM 2416 CG TYR A 153 9.999 1.478 1.635 1.00 1.07 C ATOM 2417 CD1 TYR A 153 10.855 0.893 2.587 1.00 2.32 C ATOM 2418 CD2 TYR A 153 10.011 2.873 1.444 1.00 2.14 C ATOM 2419 CE1 TYR A 153 11.751 1.694 3.321 1.00 2.75 C ATOM 2420 CE2 TYR A 153 10.899 3.682 2.183 1.00 2.22 C ATOM 2421 CZ TYR A 153 11.793 3.090 3.102 1.00 1.95 C ATOM 2422 OH TYR A 153 12.735 3.847 3.726 1.00 2.57 O ATOM 0 H TYR A 153 8.372 0.744 -1.907 1.00 0.80 H new ATOM 0 HA TYR A 153 10.825 0.155 -0.374 1.00 0.82 H new ATOM 0 HB2 TYR A 153 8.188 1.143 0.555 1.00 0.80 H new ATOM 0 HB3 TYR A 153 8.785 -0.264 1.413 1.00 0.80 H new ATOM 0 HD1 TYR A 153 10.825 -0.173 2.755 1.00 2.32 H new ATOM 0 HD2 TYR A 153 9.338 3.325 0.730 1.00 2.14 H new ATOM 0 HE1 TYR A 153 12.406 1.242 4.051 1.00 2.75 H new ATOM 0 HE2 TYR A 153 10.895 4.753 2.046 1.00 2.22 H new ATOM 0 HH TYR A 153 13.031 4.562 3.125 1.00 2.57 H new ATOM 2432 N SER A 154 10.237 -2.261 -0.076 1.00 0.89 N ATOM 2433 CA SER A 154 9.963 -3.692 0.077 1.00 0.85 C ATOM 2434 C SER A 154 9.356 -3.880 1.479 1.00 1.03 C ATOM 2435 O SER A 154 9.694 -3.058 2.341 1.00 1.18 O ATOM 2436 CB SER A 154 11.293 -4.436 -0.081 1.00 0.96 C ATOM 2437 OG SER A 154 11.087 -5.782 -0.420 1.00 1.92 O ATOM 0 H SER A 154 11.098 -1.965 0.385 1.00 0.89 H new ATOM 0 HA SER A 154 9.266 -4.081 -0.665 1.00 0.85 H new ATOM 0 HB2 SER A 154 11.893 -3.952 -0.852 1.00 0.96 H new ATOM 0 HB3 SER A 154 11.859 -4.375 0.849 1.00 0.96 H new ATOM 0 HG SER A 154 11.421 -6.356 0.301 1.00 1.92 H new ATOM 2443 N PRO A 155 8.472 -4.870 1.734 1.00 0.94 N ATOM 2444 CA PRO A 155 7.824 -5.018 3.037 1.00 1.24 C ATOM 2445 C PRO A 155 8.838 -5.192 4.174 1.00 1.36 C ATOM 2446 O PRO A 155 8.678 -4.578 5.220 1.00 1.38 O ATOM 2447 CB PRO A 155 6.873 -6.212 2.909 1.00 1.44 C ATOM 2448 CG PRO A 155 7.392 -6.979 1.692 1.00 1.32 C ATOM 2449 CD PRO A 155 7.972 -5.877 0.810 1.00 1.08 C ATOM 0 HA PRO A 155 7.273 -4.116 3.302 1.00 1.24 H new ATOM 0 HB2 PRO A 155 6.889 -6.831 3.806 1.00 1.44 H new ATOM 0 HB3 PRO A 155 5.843 -5.886 2.765 1.00 1.44 H new ATOM 0 HG2 PRO A 155 8.149 -7.713 1.970 1.00 1.32 H new ATOM 0 HG3 PRO A 155 6.593 -7.521 1.186 1.00 1.32 H new ATOM 0 HD2 PRO A 155 8.771 -6.260 0.176 1.00 1.08 H new ATOM 0 HD3 PRO A 155 7.212 -5.461 0.149 1.00 1.08 H new ATOM 2457 N ASP A 156 9.931 -5.917 3.935 1.00 1.11 N ATOM 2458 CA ASP A 156 11.069 -6.076 4.847 1.00 1.25 C ATOM 2459 C ASP A 156 11.619 -4.727 5.329 1.00 1.53 C ATOM 2460 O ASP A 156 11.608 -4.374 6.507 1.00 2.51 O ATOM 2461 CB ASP A 156 12.119 -6.962 4.142 1.00 1.35 C ATOM 2462 CG ASP A 156 12.314 -6.617 2.654 1.00 1.64 C ATOM 2463 OD1 ASP A 156 11.463 -7.005 1.821 1.00 2.60 O ATOM 2464 OD2 ASP A 156 13.246 -5.851 2.331 1.00 1.96 O ATOM 0 H ASP A 156 10.055 -6.433 3.064 1.00 1.11 H new ATOM 0 HA ASP A 156 10.754 -6.573 5.765 1.00 1.25 H new ATOM 0 HB2 ASP A 156 13.074 -6.861 4.658 1.00 1.35 H new ATOM 0 HB3 ASP A 156 11.819 -8.006 4.228 1.00 1.35 H new ATOM 2469 N LYS A 157 12.047 -3.925 4.372 1.00 0.81 N ATOM 2470 CA LYS A 157 12.523 -2.569 4.550 1.00 0.86 C ATOM 2471 C LYS A 157 11.459 -1.645 5.170 1.00 1.22 C ATOM 2472 O LYS A 157 11.800 -0.780 5.977 1.00 1.39 O ATOM 2473 CB LYS A 157 13.047 -2.059 3.198 1.00 1.01 C ATOM 2474 CG LYS A 157 14.350 -2.790 2.823 1.00 1.48 C ATOM 2475 CD LYS A 157 14.754 -2.627 1.356 1.00 2.19 C ATOM 2476 CE LYS A 157 14.939 -1.138 1.060 1.00 3.43 C ATOM 2477 NZ LYS A 157 15.623 -0.876 -0.228 1.00 5.21 N ATOM 0 H LYS A 157 12.073 -4.220 3.396 1.00 0.81 H new ATOM 0 HA LYS A 157 13.340 -2.564 5.272 1.00 0.86 H new ATOM 0 HB2 LYS A 157 12.296 -2.219 2.425 1.00 1.01 H new ATOM 0 HB3 LYS A 157 13.226 -0.985 3.251 1.00 1.01 H new ATOM 0 HG2 LYS A 157 15.157 -2.420 3.455 1.00 1.48 H new ATOM 0 HG3 LYS A 157 14.235 -3.852 3.042 1.00 1.48 H new ATOM 0 HD2 LYS A 157 15.678 -3.169 1.156 1.00 2.19 H new ATOM 0 HD3 LYS A 157 13.989 -3.049 0.704 1.00 2.19 H new ATOM 0 HE2 LYS A 157 13.963 -0.653 1.050 1.00 3.43 H new ATOM 0 HE3 LYS A 157 15.513 -0.683 1.867 1.00 3.43 H new ATOM 0 HZ1 LYS A 157 16.118 0.037 -0.179 1.00 5.21 H new ATOM 0 HZ2 LYS A 157 16.311 -1.633 -0.416 1.00 5.21 H new ATOM 0 HZ3 LYS A 157 14.921 -0.848 -0.995 1.00 5.21 H new ATOM 2491 N ALA A 158 10.183 -1.819 4.815 1.00 0.92 N ATOM 2492 CA ALA A 158 9.063 -1.021 5.318 1.00 1.08 C ATOM 2493 C ALA A 158 8.766 -1.301 6.800 1.00 1.26 C ATOM 2494 O ALA A 158 8.264 -0.420 7.499 1.00 1.39 O ATOM 2495 CB ALA A 158 7.824 -1.298 4.457 1.00 1.12 C ATOM 0 H ALA A 158 9.893 -2.538 4.152 1.00 0.92 H new ATOM 0 HA ALA A 158 9.337 0.032 5.249 1.00 1.08 H new ATOM 0 HB1 ALA A 158 6.985 -0.707 4.825 1.00 1.12 H new ATOM 0 HB2 ALA A 158 8.032 -1.027 3.422 1.00 1.12 H new ATOM 0 HB3 ALA A 158 7.573 -2.357 4.511 1.00 1.12 H new ATOM 2501 N GLU A 159 9.115 -2.492 7.297 1.00 1.07 N ATOM 2502 CA GLU A 159 8.769 -2.854 8.677 1.00 1.16 C ATOM 2503 C GLU A 159 9.588 -2.084 9.730 1.00 1.41 C ATOM 2504 O GLU A 159 9.133 -1.850 10.855 1.00 1.73 O ATOM 2505 CB GLU A 159 8.731 -4.383 8.838 1.00 1.20 C ATOM 2506 CG GLU A 159 7.384 -4.846 8.251 1.00 1.73 C ATOM 2507 CD GLU A 159 7.166 -6.350 8.150 1.00 1.90 C ATOM 2508 OE1 GLU A 159 7.766 -7.120 8.930 1.00 2.19 O ATOM 2509 OE2 GLU A 159 6.272 -6.726 7.352 1.00 2.86 O ATOM 0 H GLU A 159 9.625 -3.208 6.779 1.00 1.07 H new ATOM 0 HA GLU A 159 7.754 -2.515 8.884 1.00 1.16 H new ATOM 0 HB2 GLU A 159 9.565 -4.850 8.314 1.00 1.20 H new ATOM 0 HB3 GLU A 159 8.816 -4.666 9.887 1.00 1.20 H new ATOM 0 HG2 GLU A 159 6.584 -4.426 8.861 1.00 1.73 H new ATOM 0 HG3 GLU A 159 7.282 -4.419 7.253 1.00 1.73 H new ATOM 2516 N ALA A 160 10.739 -1.540 9.324 1.00 1.04 N ATOM 2517 CA ALA A 160 11.498 -0.552 10.094 1.00 1.09 C ATOM 2518 C ALA A 160 10.760 0.804 10.172 1.00 1.34 C ATOM 2519 O ALA A 160 11.075 1.746 9.435 1.00 1.31 O ATOM 2520 CB ALA A 160 12.918 -0.424 9.524 1.00 1.06 C ATOM 0 H ALA A 160 11.177 -1.779 8.434 1.00 1.04 H new ATOM 0 HA ALA A 160 11.584 -0.900 11.123 1.00 1.09 H new ATOM 0 HB1 ALA A 160 13.477 0.312 10.101 1.00 1.06 H new ATOM 0 HB2 ALA A 160 13.422 -1.389 9.582 1.00 1.06 H new ATOM 0 HB3 ALA A 160 12.865 -0.105 8.483 1.00 1.06 H new ATOM 2526 N THR A 161 9.838 0.903 11.141 1.00 1.24 N ATOM 2527 CA THR A 161 9.056 2.104 11.507 1.00 1.35 C ATOM 2528 C THR A 161 9.883 3.381 11.442 1.00 1.50 C ATOM 2529 O THR A 161 9.589 4.248 10.629 1.00 1.74 O ATOM 2530 CB THR A 161 8.454 1.926 12.911 1.00 1.48 C ATOM 2531 OG1 THR A 161 7.520 0.874 12.873 1.00 1.50 O ATOM 2532 CG2 THR A 161 7.729 3.175 13.420 1.00 1.66 C ATOM 0 H THR A 161 9.601 0.103 11.727 1.00 1.24 H new ATOM 0 HA THR A 161 8.256 2.209 10.774 1.00 1.35 H new ATOM 0 HB THR A 161 9.284 1.721 13.587 1.00 1.48 H new ATOM 0 HG1 THR A 161 7.131 0.750 13.764 1.00 1.50 H new ATOM 0 HG21 THR A 161 7.328 2.983 14.415 1.00 1.66 H new ATOM 0 HG22 THR A 161 8.429 4.009 13.466 1.00 1.66 H new ATOM 0 HG23 THR A 161 6.913 3.424 12.742 1.00 1.66 H new ATOM 2540 N ASP A 162 10.942 3.497 12.242 1.00 1.44 N ATOM 2541 CA ASP A 162 11.744 4.721 12.334 1.00 1.56 C ATOM 2542 C ASP A 162 12.553 5.024 11.060 1.00 1.79 C ATOM 2543 O ASP A 162 12.801 6.193 10.769 1.00 1.91 O ATOM 2544 CB ASP A 162 12.632 4.646 13.584 1.00 1.67 C ATOM 2545 CG ASP A 162 11.822 4.973 14.842 1.00 2.20 C ATOM 2546 OD1 ASP A 162 11.111 4.080 15.366 1.00 2.22 O ATOM 2547 OD2 ASP A 162 11.863 6.138 15.297 1.00 3.58 O ATOM 0 H ASP A 162 11.271 2.744 12.847 1.00 1.44 H new ATOM 0 HA ASP A 162 11.060 5.564 12.428 1.00 1.56 H new ATOM 0 HB2 ASP A 162 13.062 3.648 13.671 1.00 1.67 H new ATOM 0 HB3 ASP A 162 13.463 5.345 13.488 1.00 1.67 H new ATOM 2552 N ARG A 163 12.882 4.005 10.248 1.00 1.34 N ATOM 2553 CA ARG A 163 13.418 4.214 8.896 1.00 1.33 C ATOM 2554 C ARG A 163 12.347 4.781 7.959 1.00 1.48 C ATOM 2555 O ARG A 163 12.640 5.727 7.234 1.00 1.78 O ATOM 2556 CB ARG A 163 14.000 2.920 8.301 1.00 1.22 C ATOM 2557 CG ARG A 163 15.161 2.298 9.097 1.00 1.32 C ATOM 2558 CD ARG A 163 16.324 3.279 9.182 1.00 1.90 C ATOM 2559 NE ARG A 163 17.557 2.659 9.695 1.00 1.87 N ATOM 2560 CZ ARG A 163 18.671 3.317 10.000 1.00 2.82 C ATOM 2561 NH1 ARG A 163 18.773 4.619 9.814 1.00 3.85 N ATOM 2562 NH2 ARG A 163 19.712 2.671 10.491 1.00 3.22 N ATOM 0 H ARG A 163 12.785 3.024 10.508 1.00 1.34 H new ATOM 0 HA ARG A 163 14.228 4.938 8.988 1.00 1.33 H new ATOM 0 HB2 ARG A 163 13.200 2.184 8.221 1.00 1.22 H new ATOM 0 HB3 ARG A 163 14.345 3.128 7.288 1.00 1.22 H new ATOM 0 HG2 ARG A 163 14.824 2.034 10.099 1.00 1.32 H new ATOM 0 HG3 ARG A 163 15.488 1.376 8.617 1.00 1.32 H new ATOM 0 HD2 ARG A 163 16.516 3.694 8.193 1.00 1.90 H new ATOM 0 HD3 ARG A 163 16.045 4.111 9.828 1.00 1.90 H new ATOM 0 HE ARG A 163 17.556 1.647 9.826 1.00 1.87 H new ATOM 0 HH11 ARG A 163 17.987 5.142 9.429 1.00 3.85 H new ATOM 0 HH12 ARG A 163 19.638 5.102 10.056 1.00 3.85 H new ATOM 0 HH21 ARG A 163 19.664 1.663 10.638 1.00 3.22 H new ATOM 0 HH22 ARG A 163 20.565 3.180 10.724 1.00 3.22 H new ATOM 2576 N VAL A 164 11.116 4.258 8.013 1.00 1.29 N ATOM 2577 CA VAL A 164 9.978 4.787 7.241 1.00 1.31 C ATOM 2578 C VAL A 164 9.588 6.195 7.714 1.00 1.52 C ATOM 2579 O VAL A 164 9.408 7.059 6.866 1.00 1.61 O ATOM 2580 CB VAL A 164 8.774 3.811 7.233 1.00 1.28 C ATOM 2581 CG1 VAL A 164 7.504 4.428 6.621 1.00 1.27 C ATOM 2582 CG2 VAL A 164 9.143 2.562 6.415 1.00 1.51 C ATOM 0 H VAL A 164 10.877 3.454 8.594 1.00 1.29 H new ATOM 0 HA VAL A 164 10.302 4.877 6.204 1.00 1.31 H new ATOM 0 HB VAL A 164 8.559 3.565 8.273 1.00 1.28 H new ATOM 0 HG11 VAL A 164 6.697 3.696 6.644 1.00 1.27 H new ATOM 0 HG12 VAL A 164 7.213 5.307 7.196 1.00 1.27 H new ATOM 0 HG13 VAL A 164 7.701 4.718 5.589 1.00 1.27 H new ATOM 0 HG21 VAL A 164 8.300 1.871 6.405 1.00 1.51 H new ATOM 0 HG22 VAL A 164 9.384 2.855 5.393 1.00 1.51 H new ATOM 0 HG23 VAL A 164 10.007 2.074 6.866 1.00 1.51 H new ATOM 2592 N VAL A 165 9.544 6.468 9.025 1.00 1.39 N ATOM 2593 CA VAL A 165 9.356 7.833 9.555 1.00 1.48 C ATOM 2594 C VAL A 165 10.436 8.777 9.018 1.00 1.67 C ATOM 2595 O VAL A 165 10.091 9.843 8.528 1.00 1.90 O ATOM 2596 CB VAL A 165 9.326 7.888 11.102 1.00 1.49 C ATOM 2597 CG1 VAL A 165 9.330 9.332 11.651 1.00 1.70 C ATOM 2598 CG2 VAL A 165 8.077 7.173 11.646 1.00 1.64 C ATOM 0 H VAL A 165 9.637 5.755 9.748 1.00 1.39 H new ATOM 0 HA VAL A 165 8.377 8.161 9.206 1.00 1.48 H new ATOM 0 HB VAL A 165 10.235 7.388 11.436 1.00 1.49 H new ATOM 0 HG11 VAL A 165 9.308 9.307 12.740 1.00 1.70 H new ATOM 0 HG12 VAL A 165 10.232 9.845 11.318 1.00 1.70 H new ATOM 0 HG13 VAL A 165 8.453 9.864 11.283 1.00 1.70 H new ATOM 0 HG21 VAL A 165 8.075 7.223 12.735 1.00 1.64 H new ATOM 0 HG22 VAL A 165 7.182 7.659 11.259 1.00 1.64 H new ATOM 0 HG23 VAL A 165 8.089 6.130 11.331 1.00 1.64 H new ATOM 2608 N ALA A 166 11.722 8.420 9.065 1.00 1.41 N ATOM 2609 CA ALA A 166 12.806 9.271 8.554 1.00 1.48 C ATOM 2610 C ALA A 166 12.690 9.565 7.049 1.00 1.61 C ATOM 2611 O ALA A 166 12.820 10.717 6.631 1.00 1.68 O ATOM 2612 CB ALA A 166 14.133 8.564 8.867 1.00 1.52 C ATOM 0 H ALA A 166 12.043 7.535 9.457 1.00 1.41 H new ATOM 0 HA ALA A 166 12.747 10.243 9.044 1.00 1.48 H new ATOM 0 HB1 ALA A 166 14.963 9.169 8.501 1.00 1.52 H new ATOM 0 HB2 ALA A 166 14.229 8.431 9.945 1.00 1.52 H new ATOM 0 HB3 ALA A 166 14.151 7.590 8.378 1.00 1.52 H new ATOM 2618 N ASP A 167 12.432 8.537 6.241 1.00 1.42 N ATOM 2619 CA ASP A 167 12.328 8.681 4.787 1.00 1.50 C ATOM 2620 C ASP A 167 11.061 9.453 4.367 1.00 1.75 C ATOM 2621 O ASP A 167 11.119 10.267 3.441 1.00 1.79 O ATOM 2622 CB ASP A 167 12.389 7.283 4.152 1.00 1.60 C ATOM 2623 CG ASP A 167 13.093 7.240 2.792 1.00 2.01 C ATOM 2624 OD1 ASP A 167 13.507 8.299 2.270 1.00 2.92 O ATOM 2625 OD2 ASP A 167 13.245 6.103 2.291 1.00 2.49 O ATOM 0 H ASP A 167 12.289 7.583 6.573 1.00 1.42 H new ATOM 0 HA ASP A 167 13.165 9.278 4.426 1.00 1.50 H new ATOM 0 HB2 ASP A 167 12.903 6.608 4.836 1.00 1.60 H new ATOM 0 HB3 ASP A 167 11.373 6.905 4.035 1.00 1.60 H new ATOM 2630 N LEU A 168 9.954 9.280 5.107 1.00 1.55 N ATOM 2631 CA LEU A 168 8.765 10.133 5.013 1.00 1.63 C ATOM 2632 C LEU A 168 9.093 11.576 5.400 1.00 2.09 C ATOM 2633 O LEU A 168 8.779 12.489 4.655 1.00 2.47 O ATOM 2634 CB LEU A 168 7.626 9.587 5.896 1.00 1.64 C ATOM 2635 CG LEU A 168 6.877 8.373 5.314 1.00 1.61 C ATOM 2636 CD1 LEU A 168 5.925 7.815 6.383 1.00 1.65 C ATOM 2637 CD2 LEU A 168 6.061 8.743 4.063 1.00 1.97 C ATOM 0 H LEU A 168 9.862 8.533 5.795 1.00 1.55 H new ATOM 0 HA LEU A 168 8.431 10.124 3.975 1.00 1.63 H new ATOM 0 HB2 LEU A 168 8.039 9.309 6.866 1.00 1.64 H new ATOM 0 HB3 LEU A 168 6.908 10.388 6.073 1.00 1.64 H new ATOM 0 HG LEU A 168 7.619 7.629 5.023 1.00 1.61 H new ATOM 0 HD11 LEU A 168 5.390 6.955 5.980 1.00 1.65 H new ATOM 0 HD12 LEU A 168 6.499 7.508 7.257 1.00 1.65 H new ATOM 0 HD13 LEU A 168 5.209 8.585 6.671 1.00 1.65 H new ATOM 0 HD21 LEU A 168 5.550 7.857 3.687 1.00 1.97 H new ATOM 0 HD22 LEU A 168 5.325 9.504 4.321 1.00 1.97 H new ATOM 0 HD23 LEU A 168 6.729 9.130 3.294 1.00 1.97 H new ATOM 2649 N GLN A 169 9.746 11.803 6.533 1.00 1.58 N ATOM 2650 CA GLN A 169 10.123 13.130 7.032 1.00 1.63 C ATOM 2651 C GLN A 169 11.037 13.908 6.068 1.00 1.98 C ATOM 2652 O GLN A 169 11.110 15.130 6.142 1.00 2.14 O ATOM 2653 CB GLN A 169 10.814 12.919 8.384 1.00 1.56 C ATOM 2654 CG GLN A 169 9.856 12.669 9.564 1.00 1.60 C ATOM 2655 CD GLN A 169 9.423 13.957 10.254 1.00 2.04 C ATOM 2656 OE1 GLN A 169 8.266 14.343 10.242 1.00 2.75 O ATOM 2657 NE2 GLN A 169 10.338 14.668 10.881 1.00 2.61 N ATOM 0 H GLN A 169 10.039 11.048 7.153 1.00 1.58 H new ATOM 0 HA GLN A 169 9.226 13.742 7.128 1.00 1.63 H new ATOM 0 HB2 GLN A 169 11.495 12.072 8.301 1.00 1.56 H new ATOM 0 HB3 GLN A 169 11.422 13.796 8.607 1.00 1.56 H new ATOM 0 HG2 GLN A 169 8.973 12.140 9.204 1.00 1.60 H new ATOM 0 HG3 GLN A 169 10.343 12.019 10.291 1.00 1.60 H new ATOM 0 HE21 GLN A 169 11.308 14.352 10.896 1.00 2.61 H new ATOM 0 HE22 GLN A 169 10.077 15.534 11.352 1.00 2.61 H new ATOM 2666 N ALA A 170 11.753 13.222 5.174 1.00 1.64 N ATOM 2667 CA ALA A 170 12.470 13.780 4.028 1.00 1.76 C ATOM 2668 C ALA A 170 11.622 14.185 2.798 1.00 1.91 C ATOM 2669 O ALA A 170 12.176 14.745 1.850 1.00 2.26 O ATOM 2670 CB ALA A 170 13.549 12.769 3.659 1.00 1.70 C ATOM 0 H ALA A 170 11.853 12.209 5.234 1.00 1.64 H new ATOM 0 HA ALA A 170 12.876 14.743 4.339 1.00 1.76 H new ATOM 0 HB1 ALA A 170 14.117 13.138 2.805 1.00 1.70 H new ATOM 0 HB2 ALA A 170 14.220 12.627 4.506 1.00 1.70 H new ATOM 0 HB3 ALA A 170 13.083 11.818 3.401 1.00 1.70 H new ATOM 2676 N LEU A 171 10.357 13.760 2.709 1.00 1.84 N ATOM 2677 CA LEU A 171 9.450 13.928 1.552 1.00 1.97 C ATOM 2678 C LEU A 171 8.046 14.469 1.889 1.00 1.99 C ATOM 2679 O LEU A 171 7.208 14.615 0.993 1.00 2.15 O ATOM 2680 CB LEU A 171 9.458 12.634 0.738 1.00 2.51 C ATOM 2681 CG LEU A 171 8.739 11.438 1.371 1.00 1.26 C ATOM 2682 CD1 LEU A 171 7.217 11.585 1.309 1.00 2.44 C ATOM 2683 CD2 LEU A 171 9.209 10.187 0.641 1.00 1.96 C ATOM 0 H LEU A 171 9.908 13.263 3.478 1.00 1.84 H new ATOM 0 HA LEU A 171 9.838 14.736 0.931 1.00 1.97 H new ATOM 0 HB2 LEU A 171 9.002 12.835 -0.231 1.00 2.51 H new ATOM 0 HB3 LEU A 171 10.494 12.352 0.551 1.00 2.51 H new ATOM 0 HG LEU A 171 8.985 11.375 2.431 1.00 1.26 H new ATOM 0 HD11 LEU A 171 6.748 10.715 1.769 1.00 2.44 H new ATOM 0 HD12 LEU A 171 6.916 12.485 1.845 1.00 2.44 H new ATOM 0 HD13 LEU A 171 6.901 11.660 0.269 1.00 2.44 H new ATOM 0 HD21 LEU A 171 8.717 9.312 1.065 1.00 1.96 H new ATOM 0 HD22 LEU A 171 8.958 10.267 -0.417 1.00 1.96 H new ATOM 0 HD23 LEU A 171 10.289 10.085 0.751 1.00 1.96 H new ATOM 2695 N LEU A 172 7.803 14.702 3.184 1.00 1.74 N ATOM 2696 CA LEU A 172 6.576 15.266 3.779 1.00 1.72 C ATOM 2697 C LEU A 172 6.449 16.798 3.590 1.00 2.07 C ATOM 2698 O LEU A 172 5.599 17.372 4.311 1.00 2.15 O ATOM 2699 CB LEU A 172 6.513 14.789 5.267 1.00 1.89 C ATOM 2700 CG LEU A 172 5.880 13.408 5.531 1.00 2.89 C ATOM 2701 CD1 LEU A 172 6.012 13.022 7.009 1.00 3.59 C ATOM 2702 CD2 LEU A 172 4.393 13.391 5.199 1.00 3.48 C ATOM 2703 OXT LEU A 172 7.063 17.363 2.665 1.00 3.01 O ATOM 0 H LEU A 172 8.502 14.489 3.895 1.00 1.74 H new ATOM 0 HA LEU A 172 5.698 14.892 3.251 1.00 1.72 H new ATOM 0 HB2 LEU A 172 7.529 14.778 5.663 1.00 1.89 H new ATOM 0 HB3 LEU A 172 5.956 15.532 5.838 1.00 1.89 H new ATOM 0 HG LEU A 172 6.413 12.704 4.892 1.00 2.89 H new ATOM 0 HD11 LEU A 172 5.558 12.044 7.172 1.00 3.59 H new ATOM 0 HD12 LEU A 172 7.067 12.983 7.282 1.00 3.59 H new ATOM 0 HD13 LEU A 172 5.505 13.764 7.626 1.00 3.59 H new ATOM 0 HD21 LEU A 172 3.987 12.400 5.399 1.00 3.48 H new ATOM 0 HD22 LEU A 172 3.874 14.127 5.814 1.00 3.48 H new ATOM 0 HD23 LEU A 172 4.253 13.635 4.146 1.00 3.48 H new