USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 954 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 103 THR OG1 : rot 180:sc= 0.535 USER MOD Set 1.2: A 121 THR OG1 : rot -103:sc= -0.0159 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.17) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0219 (180deg=-0.177) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0177) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.541 F(o=-1.5,f=-0.54) USER MOD Single : A 41 HIS : no HD1:sc=-0.00963 X(o=-0.0096,f=-0.33) USER MOD Single : A 70 THR OG1 : rot -34:sc= 0.309 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.708 F(o=-2.2!,f=-0.71) USER MOD Single : A 79 TYR OH : rot -133:sc= 1.1 USER MOD Single : A 81 HIS :FLIP no HE2:sc= 0.251 F(o=-0.97,f=0.25) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= -0.0901 (180deg=-0.412) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 1.76 (180deg=1.61) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.229 K(o=-0.23,f=-5.4!) USER MOD Single : A 112 MET CE :methyl 136:sc= -2.44! (180deg=-7.46!) USER MOD Single : A 113 LYS NZ :NH3+ -147:sc= 1.23 (180deg=-0.104!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.0454 USER MOD Single : A 116 LYS NZ :NH3+ 174:sc= 1.1 (180deg=0.779) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.79) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.21) USER MOD Single : A 133 SER OG : rot 87:sc= 0.962 USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.6!) USER MOD Single : A 141 TYR OH : rot 55:sc= 0.0919 USER MOD Single : A 143 LYS NZ :NH3+ -163:sc= -0.0248 (180deg=-0.299) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.9!) USER MOD Single : A 153 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 156 GLN : amide:sc= -1.73! C(o=-1.7!,f=-4.6!) USER MOD Single : A 158 CYS SG : rot 57:sc= 0.649 USER MOD Single : A 162 SER OG : rot 79:sc= 0.538 USER MOD Single : A 163 LYS NZ :NH3+ -162:sc= -2.03! (180deg=-2.89!) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -7.180 -22.235 5.658 1.00 75.32 N ATOM 63 CA LEU A 22 -6.780 -21.770 4.330 1.00 60.40 C ATOM 64 C LEU A 22 -6.115 -20.398 4.406 1.00 74.44 C ATOM 65 O LEU A 22 -6.012 -19.681 3.410 1.00 55.13 O ATOM 66 CB LEU A 22 -7.972 -21.739 3.364 1.00 43.33 C ATOM 67 CG LEU A 22 -8.617 -23.090 3.019 1.00 45.00 C ATOM 68 CD1 LEU A 22 -9.767 -22.889 2.045 1.00 12.32 C ATOM 69 CD2 LEU A 22 -7.586 -24.045 2.424 1.00 22.11 C ATOM 0 HA LEU A 22 -6.052 -22.482 3.941 1.00 60.40 H new ATOM 0 HB2 LEU A 22 -8.740 -21.095 3.792 1.00 43.33 H new ATOM 0 HB3 LEU A 22 -7.645 -21.271 2.435 1.00 43.33 H new ATOM 0 HG LEU A 22 -9.004 -23.530 3.938 1.00 45.00 H new ATOM 0 HD11 LEU A 22 -10.216 -23.854 1.808 1.00 12.32 H new ATOM 0 HD12 LEU A 22 -10.518 -22.241 2.497 1.00 12.32 H new ATOM 0 HD13 LEU A 22 -9.393 -22.429 1.131 1.00 12.32 H new ATOM 0 HD21 LEU A 22 -8.064 -24.995 2.187 1.00 22.11 H new ATOM 0 HD22 LEU A 22 -7.171 -23.611 1.514 1.00 22.11 H new ATOM 0 HD23 LEU A 22 -6.786 -24.211 3.145 1.00 22.11 H new ATOM 81 N VAL A 23 -5.666 -20.053 5.584 1.00 40.11 N ATOM 82 CA VAL A 23 -4.913 -18.860 5.804 1.00 33.23 C ATOM 83 C VAL A 23 -3.507 -19.058 5.208 1.00 71.24 C ATOM 84 O VAL A 23 -2.877 -20.107 5.394 1.00 10.22 O ATOM 85 CB VAL A 23 -4.834 -18.519 7.325 1.00 1.33 C ATOM 86 CG1 VAL A 23 -4.194 -19.656 8.116 1.00 53.21 C ATOM 87 CG2 VAL A 23 -4.099 -17.202 7.559 1.00 61.14 C ATOM 0 H VAL A 23 -5.819 -20.606 6.427 1.00 40.11 H new ATOM 0 HA VAL A 23 -5.405 -18.019 5.315 1.00 33.23 H new ATOM 0 HB VAL A 23 -5.855 -18.398 7.688 1.00 1.33 H new ATOM 0 HG11 VAL A 23 -4.154 -19.387 9.172 1.00 53.21 H new ATOM 0 HG12 VAL A 23 -4.787 -20.562 7.995 1.00 53.21 H new ATOM 0 HG13 VAL A 23 -3.183 -19.832 7.748 1.00 53.21 H new ATOM 0 HG21 VAL A 23 -4.060 -16.992 8.628 1.00 61.14 H new ATOM 0 HG22 VAL A 23 -3.085 -17.277 7.167 1.00 61.14 H new ATOM 0 HG23 VAL A 23 -4.626 -16.396 7.050 1.00 61.14 H new ATOM 97 N GLY A 24 -3.050 -18.097 4.491 1.00 65.42 N ATOM 98 CA GLY A 24 -1.799 -18.208 3.832 1.00 33.51 C ATOM 99 C GLY A 24 -1.004 -16.947 3.917 1.00 63.53 C ATOM 100 O GLY A 24 -1.523 -15.890 4.301 1.00 3.11 O ATOM 0 H GLY A 24 -3.532 -17.210 4.344 1.00 65.42 H new ATOM 0 HA2 GLY A 24 -1.229 -19.026 4.273 1.00 33.51 H new ATOM 0 HA3 GLY A 24 -1.963 -18.462 2.785 1.00 33.51 H new ATOM 104 N LYS A 25 0.231 -17.049 3.553 1.00 21.21 N ATOM 105 CA LYS A 25 1.151 -15.953 3.604 1.00 4.13 C ATOM 106 C LYS A 25 1.853 -15.791 2.312 1.00 20.30 C ATOM 107 O LYS A 25 1.905 -16.722 1.494 1.00 73.41 O ATOM 108 CB LYS A 25 2.249 -16.181 4.593 1.00 44.43 C ATOM 109 CG LYS A 25 1.908 -16.234 6.049 1.00 75.53 C ATOM 110 CD LYS A 25 3.198 -16.478 6.822 1.00 2.51 C ATOM 111 CE LYS A 25 4.273 -15.442 6.439 1.00 50.40 C ATOM 112 NZ LYS A 25 5.552 -15.674 7.133 1.00 54.24 N ATOM 0 H LYS A 25 0.642 -17.915 3.203 1.00 21.21 H new ATOM 0 HA LYS A 25 0.544 -15.087 3.869 1.00 4.13 H new ATOM 0 HB2 LYS A 25 2.737 -17.121 4.334 1.00 44.43 H new ATOM 0 HB3 LYS A 25 2.987 -15.390 4.455 1.00 44.43 H new ATOM 0 HG2 LYS A 25 1.443 -15.300 6.367 1.00 75.53 H new ATOM 0 HG3 LYS A 25 1.190 -17.030 6.244 1.00 75.53 H new ATOM 0 HD2 LYS A 25 3.001 -16.424 7.893 1.00 2.51 H new ATOM 0 HD3 LYS A 25 3.566 -17.483 6.616 1.00 2.51 H new ATOM 0 HE2 LYS A 25 4.437 -15.474 5.362 1.00 50.40 H new ATOM 0 HE3 LYS A 25 3.910 -14.442 6.677 1.00 50.40 H new ATOM 0 HZ1 LYS A 25 6.282 -15.051 6.732 1.00 54.24 H new ATOM 0 HZ2 LYS A 25 5.440 -15.468 8.146 1.00 54.24 H new ATOM 0 HZ3 LYS A 25 5.838 -16.666 7.011 1.00 54.24 H new ATOM 126 N LEU A 26 2.341 -14.614 2.095 1.00 2.12 N ATOM 127 CA LEU A 26 3.276 -14.378 1.052 1.00 4.22 C ATOM 128 C LEU A 26 4.146 -13.211 1.460 1.00 0.35 C ATOM 129 O LEU A 26 3.654 -12.238 1.995 1.00 43.33 O ATOM 130 CB LEU A 26 2.589 -14.135 -0.288 1.00 71.32 C ATOM 131 CG LEU A 26 3.500 -13.913 -1.492 1.00 21.42 C ATOM 132 CD1 LEU A 26 4.367 -15.140 -1.759 1.00 63.30 C ATOM 133 CD2 LEU A 26 2.673 -13.571 -2.707 1.00 23.12 C ATOM 0 H LEU A 26 2.099 -13.787 2.641 1.00 2.12 H new ATOM 0 HA LEU A 26 3.894 -15.264 0.906 1.00 4.22 H new ATOM 0 HB2 LEU A 26 1.945 -14.988 -0.501 1.00 71.32 H new ATOM 0 HB3 LEU A 26 1.941 -13.265 -0.186 1.00 71.32 H new ATOM 0 HG LEU A 26 4.166 -13.079 -1.271 1.00 21.42 H new ATOM 0 HD11 LEU A 26 5.006 -14.953 -2.622 1.00 63.30 H new ATOM 0 HD12 LEU A 26 4.987 -15.344 -0.886 1.00 63.30 H new ATOM 0 HD13 LEU A 26 3.728 -16.000 -1.960 1.00 63.30 H new ATOM 0 HD21 LEU A 26 3.330 -13.414 -3.562 1.00 23.12 H new ATOM 0 HD22 LEU A 26 1.987 -14.390 -2.922 1.00 23.12 H new ATOM 0 HD23 LEU A 26 2.104 -12.662 -2.515 1.00 23.12 H new ATOM 145 N GLU A 27 5.426 -13.331 1.274 1.00 12.04 N ATOM 146 CA GLU A 27 6.333 -12.269 1.634 1.00 5.31 C ATOM 147 C GLU A 27 7.297 -12.003 0.507 1.00 65.25 C ATOM 148 O GLU A 27 7.710 -12.929 -0.198 1.00 41.53 O ATOM 149 CB GLU A 27 7.087 -12.579 2.942 1.00 62.35 C ATOM 150 CG GLU A 27 6.173 -12.779 4.147 1.00 54.24 C ATOM 151 CD GLU A 27 6.918 -12.975 5.433 1.00 31.22 C ATOM 152 OE1 GLU A 27 7.237 -14.118 5.783 1.00 11.20 O ATOM 153 OE2 GLU A 27 7.177 -11.985 6.137 1.00 13.24 O ATOM 0 H GLU A 27 5.873 -14.156 0.873 1.00 12.04 H new ATOM 0 HA GLU A 27 5.742 -11.370 1.810 1.00 5.31 H new ATOM 0 HB2 GLU A 27 7.687 -13.478 2.800 1.00 62.35 H new ATOM 0 HB3 GLU A 27 7.779 -11.764 3.154 1.00 62.35 H new ATOM 0 HG2 GLU A 27 5.517 -11.914 4.244 1.00 54.24 H new ATOM 0 HG3 GLU A 27 5.535 -13.645 3.970 1.00 54.24 H new ATOM 160 N THR A 28 7.626 -10.762 0.322 1.00 61.35 N ATOM 161 CA THR A 28 8.545 -10.351 -0.698 1.00 25.51 C ATOM 162 C THR A 28 9.222 -9.064 -0.230 1.00 2.13 C ATOM 163 O THR A 28 8.763 -8.431 0.735 1.00 60.33 O ATOM 164 CB THR A 28 7.811 -10.124 -2.077 1.00 52.42 C ATOM 165 OG1 THR A 28 8.755 -9.810 -3.115 1.00 32.13 O ATOM 166 CG2 THR A 28 6.782 -8.998 -1.983 1.00 53.14 C ATOM 0 H THR A 28 7.259 -9.993 0.883 1.00 61.35 H new ATOM 0 HA THR A 28 9.287 -11.133 -0.860 1.00 25.51 H new ATOM 0 HB THR A 28 7.297 -11.054 -2.321 1.00 52.42 H new ATOM 0 HG1 THR A 28 8.278 -9.675 -3.961 1.00 32.13 H new ATOM 0 HG21 THR A 28 6.295 -8.868 -2.950 1.00 53.14 H new ATOM 0 HG22 THR A 28 6.034 -9.250 -1.231 1.00 53.14 H new ATOM 0 HG23 THR A 28 7.282 -8.071 -1.701 1.00 53.14 H new ATOM 174 N ASP A 29 10.292 -8.694 -0.868 1.00 23.01 N ATOM 175 CA ASP A 29 10.975 -7.475 -0.546 1.00 42.31 C ATOM 176 C ASP A 29 11.287 -6.735 -1.818 1.00 31.15 C ATOM 177 O ASP A 29 11.814 -7.305 -2.772 1.00 21.32 O ATOM 178 CB ASP A 29 12.246 -7.706 0.316 1.00 22.13 C ATOM 179 CG ASP A 29 13.319 -8.556 -0.342 1.00 61.25 C ATOM 180 OD1 ASP A 29 13.287 -9.798 -0.186 1.00 71.54 O ATOM 181 OD2 ASP A 29 14.225 -8.001 -0.999 1.00 21.42 O ATOM 0 H ASP A 29 10.717 -9.228 -1.626 1.00 23.01 H new ATOM 0 HA ASP A 29 10.315 -6.866 0.072 1.00 42.31 H new ATOM 0 HB2 ASP A 29 12.676 -6.737 0.570 1.00 22.13 H new ATOM 0 HB3 ASP A 29 11.951 -8.180 1.252 1.00 22.13 H new ATOM 186 N VAL A 30 10.913 -5.489 -1.847 1.00 70.43 N ATOM 187 CA VAL A 30 11.124 -4.646 -3.002 1.00 12.34 C ATOM 188 C VAL A 30 12.101 -3.549 -2.624 1.00 74.02 C ATOM 189 O VAL A 30 12.103 -3.088 -1.483 1.00 61.12 O ATOM 190 CB VAL A 30 9.778 -4.003 -3.497 1.00 20.14 C ATOM 191 CG1 VAL A 30 9.997 -3.106 -4.707 1.00 53.13 C ATOM 192 CG2 VAL A 30 8.752 -5.074 -3.833 1.00 55.25 C ATOM 0 H VAL A 30 10.450 -5.020 -1.068 1.00 70.43 H new ATOM 0 HA VAL A 30 11.521 -5.254 -3.815 1.00 12.34 H new ATOM 0 HB VAL A 30 9.398 -3.391 -2.679 1.00 20.14 H new ATOM 0 HG11 VAL A 30 9.044 -2.679 -5.021 1.00 53.13 H new ATOM 0 HG12 VAL A 30 10.686 -2.303 -4.445 1.00 53.13 H new ATOM 0 HG13 VAL A 30 10.418 -3.693 -5.523 1.00 53.13 H new ATOM 0 HG21 VAL A 30 7.830 -4.601 -4.173 1.00 55.25 H new ATOM 0 HG22 VAL A 30 9.142 -5.717 -4.622 1.00 55.25 H new ATOM 0 HG23 VAL A 30 8.547 -5.673 -2.945 1.00 55.25 H new ATOM 202 N GLU A 31 12.944 -3.164 -3.532 1.00 13.14 N ATOM 203 CA GLU A 31 13.860 -2.099 -3.252 1.00 3.33 C ATOM 204 C GLU A 31 13.265 -0.802 -3.760 1.00 45.41 C ATOM 205 O GLU A 31 12.739 -0.747 -4.889 1.00 10.40 O ATOM 206 CB GLU A 31 15.234 -2.265 -3.940 1.00 43.12 C ATOM 207 CG GLU A 31 15.855 -3.661 -3.963 1.00 60.14 C ATOM 208 CD GLU A 31 15.216 -4.591 -4.978 1.00 41.20 C ATOM 209 OE1 GLU A 31 15.639 -4.583 -6.146 1.00 75.45 O ATOM 210 OE2 GLU A 31 14.291 -5.344 -4.628 1.00 43.23 O ATOM 0 H GLU A 31 13.018 -3.567 -4.466 1.00 13.14 H new ATOM 0 HA GLU A 31 14.018 -2.105 -2.174 1.00 3.33 H new ATOM 0 HB2 GLU A 31 15.136 -1.925 -4.971 1.00 43.12 H new ATOM 0 HB3 GLU A 31 15.938 -1.593 -3.449 1.00 43.12 H new ATOM 0 HG2 GLU A 31 16.919 -3.573 -4.182 1.00 60.14 H new ATOM 0 HG3 GLU A 31 15.769 -4.105 -2.971 1.00 60.14 H new ATOM 217 N ILE A 32 13.313 0.210 -2.958 1.00 11.33 N ATOM 218 CA ILE A 32 12.936 1.520 -3.403 1.00 3.22 C ATOM 219 C ILE A 32 14.209 2.309 -3.569 1.00 54.30 C ATOM 220 O ILE A 32 15.195 2.010 -2.915 1.00 23.51 O ATOM 221 CB ILE A 32 11.945 2.252 -2.442 1.00 44.12 C ATOM 222 CG1 ILE A 32 12.538 2.416 -1.034 1.00 52.20 C ATOM 223 CG2 ILE A 32 10.610 1.511 -2.393 1.00 43.34 C ATOM 224 CD1 ILE A 32 11.641 3.178 -0.072 1.00 12.11 C ATOM 0 H ILE A 32 13.611 0.159 -1.984 1.00 11.33 H new ATOM 0 HA ILE A 32 12.390 1.430 -4.342 1.00 3.22 H new ATOM 0 HB ILE A 32 11.772 3.253 -2.836 1.00 44.12 H new ATOM 0 HG12 ILE A 32 12.743 1.429 -0.620 1.00 52.20 H new ATOM 0 HG13 ILE A 32 13.494 2.934 -1.111 1.00 52.20 H new ATOM 0 HG21 ILE A 32 9.929 2.032 -1.720 1.00 43.34 H new ATOM 0 HG22 ILE A 32 10.176 1.476 -3.392 1.00 43.34 H new ATOM 0 HG23 ILE A 32 10.771 0.495 -2.032 1.00 43.34 H new ATOM 0 HD11 ILE A 32 12.129 3.252 0.900 1.00 12.11 H new ATOM 0 HD12 ILE A 32 11.456 4.179 -0.462 1.00 12.11 H new ATOM 0 HD13 ILE A 32 10.693 2.651 0.037 1.00 12.11 H new ATOM 236 N LYS A 33 14.206 3.283 -4.433 1.00 15.44 N ATOM 237 CA LYS A 33 15.411 4.042 -4.729 1.00 74.45 C ATOM 238 C LYS A 33 15.521 5.226 -3.791 1.00 33.11 C ATOM 239 O LYS A 33 16.542 5.923 -3.748 1.00 54.14 O ATOM 240 CB LYS A 33 15.369 4.548 -6.166 1.00 14.54 C ATOM 241 CG LYS A 33 15.124 3.472 -7.209 1.00 32.40 C ATOM 242 CD LYS A 33 15.134 4.059 -8.609 1.00 21.54 C ATOM 243 CE LYS A 33 14.767 3.025 -9.659 1.00 4.11 C ATOM 244 NZ LYS A 33 13.371 2.545 -9.519 1.00 33.11 N ATOM 0 H LYS A 33 13.381 3.580 -4.954 1.00 15.44 H new ATOM 0 HA LYS A 33 16.274 3.390 -4.597 1.00 74.45 H new ATOM 0 HB2 LYS A 33 14.585 5.301 -6.249 1.00 14.54 H new ATOM 0 HB3 LYS A 33 16.313 5.044 -6.390 1.00 14.54 H new ATOM 0 HG2 LYS A 33 15.891 2.701 -7.129 1.00 32.40 H new ATOM 0 HG3 LYS A 33 14.165 2.989 -7.020 1.00 32.40 H new ATOM 0 HD2 LYS A 33 14.432 4.892 -8.659 1.00 21.54 H new ATOM 0 HD3 LYS A 33 16.123 4.462 -8.827 1.00 21.54 H new ATOM 0 HE2 LYS A 33 14.902 3.456 -10.651 1.00 4.11 H new ATOM 0 HE3 LYS A 33 15.449 2.178 -9.584 1.00 4.11 H new ATOM 0 HZ1 LYS A 33 13.098 2.018 -10.373 1.00 33.11 H new ATOM 0 HZ2 LYS A 33 13.300 1.922 -8.689 1.00 33.11 H new ATOM 0 HZ3 LYS A 33 12.735 3.359 -9.397 1.00 33.11 H new ATOM 258 N ALA A 34 14.474 5.450 -3.044 1.00 33.44 N ATOM 259 CA ALA A 34 14.404 6.560 -2.140 1.00 10.34 C ATOM 260 C ALA A 34 14.903 6.191 -0.759 1.00 3.11 C ATOM 261 O ALA A 34 14.976 5.003 -0.395 1.00 53.14 O ATOM 262 CB ALA A 34 12.987 7.080 -2.064 1.00 10.41 C ATOM 0 H ALA A 34 13.641 4.862 -3.047 1.00 33.44 H new ATOM 0 HA ALA A 34 15.055 7.345 -2.526 1.00 10.34 H new ATOM 0 HB1 ALA A 34 12.945 7.923 -1.374 1.00 10.41 H new ATOM 0 HB2 ALA A 34 12.665 7.404 -3.054 1.00 10.41 H new ATOM 0 HB3 ALA A 34 12.327 6.288 -1.709 1.00 10.41 H new ATOM 268 N SER A 35 15.243 7.202 0.001 1.00 22.41 N ATOM 269 CA SER A 35 15.695 7.028 1.348 1.00 3.21 C ATOM 270 C SER A 35 14.513 6.713 2.256 1.00 3.32 C ATOM 271 O SER A 35 13.381 7.192 2.023 1.00 14.15 O ATOM 272 CB SER A 35 16.408 8.298 1.829 1.00 34.53 C ATOM 273 OG SER A 35 16.849 8.171 3.171 1.00 10.54 O ATOM 0 H SER A 35 15.212 8.174 -0.305 1.00 22.41 H new ATOM 0 HA SER A 35 16.398 6.195 1.383 1.00 3.21 H new ATOM 0 HB2 SER A 35 17.261 8.504 1.183 1.00 34.53 H new ATOM 0 HB3 SER A 35 15.732 9.149 1.746 1.00 34.53 H new ATOM 0 HG SER A 35 17.301 8.996 3.446 1.00 10.54 H new ATOM 279 N ALA A 36 14.771 5.924 3.285 1.00 2.40 N ATOM 280 CA ALA A 36 13.766 5.558 4.260 1.00 54.55 C ATOM 281 C ALA A 36 13.303 6.795 5.018 1.00 63.03 C ATOM 282 O ALA A 36 12.172 6.844 5.533 1.00 21.43 O ATOM 283 CB ALA A 36 14.320 4.509 5.222 1.00 4.20 C ATOM 0 H ALA A 36 15.689 5.519 3.466 1.00 2.40 H new ATOM 0 HA ALA A 36 12.908 5.127 3.743 1.00 54.55 H new ATOM 0 HB1 ALA A 36 13.554 4.243 5.950 1.00 4.20 H new ATOM 0 HB2 ALA A 36 14.613 3.621 4.662 1.00 4.20 H new ATOM 0 HB3 ALA A 36 15.189 4.914 5.741 1.00 4.20 H new ATOM 289 N ASP A 37 14.170 7.801 5.055 1.00 20.34 N ATOM 290 CA ASP A 37 13.893 9.065 5.726 1.00 2.12 C ATOM 291 C ASP A 37 12.664 9.733 5.107 1.00 64.42 C ATOM 292 O ASP A 37 11.841 10.314 5.811 1.00 41.11 O ATOM 293 CB ASP A 37 15.102 9.998 5.618 1.00 23.12 C ATOM 294 CG ASP A 37 14.938 11.281 6.412 1.00 31.50 C ATOM 295 OD1 ASP A 37 14.360 12.255 5.892 1.00 14.50 O ATOM 296 OD2 ASP A 37 15.404 11.330 7.569 1.00 31.53 O ATOM 0 H ASP A 37 15.090 7.762 4.617 1.00 20.34 H new ATOM 0 HA ASP A 37 13.695 8.864 6.779 1.00 2.12 H new ATOM 0 HB2 ASP A 37 15.991 9.473 5.968 1.00 23.12 H new ATOM 0 HB3 ASP A 37 15.270 10.246 4.570 1.00 23.12 H new ATOM 301 N LYS A 38 12.528 9.609 3.787 1.00 5.32 N ATOM 302 CA LYS A 38 11.387 10.171 3.070 1.00 65.13 C ATOM 303 C LYS A 38 10.097 9.446 3.372 1.00 31.55 C ATOM 304 O LYS A 38 9.041 10.060 3.435 1.00 2.54 O ATOM 305 CB LYS A 38 11.596 10.164 1.583 1.00 52.23 C ATOM 306 CG LYS A 38 12.547 11.192 1.105 1.00 22.21 C ATOM 307 CD LYS A 38 12.566 11.206 -0.385 1.00 14.42 C ATOM 308 CE LYS A 38 13.230 12.442 -0.890 1.00 54.10 C ATOM 309 NZ LYS A 38 14.668 12.524 -0.521 1.00 51.33 N ATOM 0 H LYS A 38 13.198 9.122 3.192 1.00 5.32 H new ATOM 0 HA LYS A 38 11.308 11.199 3.424 1.00 65.13 H new ATOM 0 HB2 LYS A 38 11.958 9.181 1.282 1.00 52.23 H new ATOM 0 HB3 LYS A 38 10.635 10.315 1.090 1.00 52.23 H new ATOM 0 HG2 LYS A 38 12.258 12.172 1.484 1.00 22.21 H new ATOM 0 HG3 LYS A 38 13.546 10.984 1.489 1.00 22.21 H new ATOM 0 HD2 LYS A 38 13.093 10.327 -0.756 1.00 14.42 H new ATOM 0 HD3 LYS A 38 11.547 11.152 -0.768 1.00 14.42 H new ATOM 0 HE2 LYS A 38 13.137 12.480 -1.975 1.00 54.10 H new ATOM 0 HE3 LYS A 38 12.709 13.314 -0.495 1.00 54.10 H new ATOM 0 HZ1 LYS A 38 15.082 13.387 -0.928 1.00 51.33 H new ATOM 0 HZ2 LYS A 38 14.760 12.551 0.515 1.00 51.33 H new ATOM 0 HZ3 LYS A 38 15.169 11.691 -0.891 1.00 51.33 H new ATOM 323 N PHE A 39 10.174 8.147 3.558 1.00 41.44 N ATOM 324 CA PHE A 39 8.982 7.376 3.849 1.00 60.44 C ATOM 325 C PHE A 39 8.485 7.758 5.240 1.00 65.02 C ATOM 326 O PHE A 39 7.298 7.956 5.459 1.00 11.42 O ATOM 327 CB PHE A 39 9.275 5.873 3.749 1.00 33.41 C ATOM 328 CG PHE A 39 8.057 4.994 3.862 1.00 4.50 C ATOM 329 CD1 PHE A 39 7.270 4.741 2.751 1.00 43.35 C ATOM 330 CD2 PHE A 39 7.706 4.414 5.066 1.00 41.44 C ATOM 331 CE1 PHE A 39 6.155 3.928 2.839 1.00 23.21 C ATOM 332 CE2 PHE A 39 6.594 3.598 5.163 1.00 4.05 C ATOM 333 CZ PHE A 39 5.818 3.355 4.049 1.00 0.14 C ATOM 0 H PHE A 39 11.038 7.606 3.514 1.00 41.44 H new ATOM 0 HA PHE A 39 8.204 7.599 3.119 1.00 60.44 H new ATOM 0 HB2 PHE A 39 9.765 5.673 2.796 1.00 33.41 H new ATOM 0 HB3 PHE A 39 9.980 5.599 4.534 1.00 33.41 H new ATOM 0 HD1 PHE A 39 7.531 5.185 1.802 1.00 43.35 H new ATOM 0 HD2 PHE A 39 8.308 4.600 5.943 1.00 41.44 H new ATOM 0 HE1 PHE A 39 5.550 3.742 1.964 1.00 23.21 H new ATOM 0 HE2 PHE A 39 6.333 3.151 6.111 1.00 4.05 H new ATOM 0 HZ PHE A 39 4.949 2.718 4.123 1.00 0.14 H new ATOM 343 N HIS A 40 9.436 7.922 6.154 1.00 10.01 N ATOM 344 CA HIS A 40 9.162 8.360 7.530 1.00 30.50 C ATOM 345 C HIS A 40 8.598 9.792 7.484 1.00 10.45 C ATOM 346 O HIS A 40 7.752 10.175 8.279 1.00 73.21 O ATOM 347 CB HIS A 40 10.494 8.345 8.330 1.00 60.43 C ATOM 348 CG HIS A 40 10.399 8.620 9.824 1.00 5.23 C ATOM 349 ND1 HIS A 40 9.929 9.686 10.524 1.00 10.43 N flip ATOM 350 CD2 HIS A 40 10.904 7.756 10.767 1.00 52.51 C flip ATOM 351 CE1 HIS A 40 10.168 9.437 11.848 1.00 1.05 C flip ATOM 352 NE2 HIS A 40 10.754 8.270 11.965 1.00 61.23 N flip ATOM 0 H HIS A 40 10.425 7.756 5.966 1.00 10.01 H new ATOM 0 HA HIS A 40 8.441 7.698 8.010 1.00 30.50 H new ATOM 0 HB2 HIS A 40 10.962 7.370 8.193 1.00 60.43 H new ATOM 0 HB3 HIS A 40 11.163 9.084 7.890 1.00 60.43 H new ATOM 0 HD2 HIS A 40 11.356 6.799 10.554 1.00 52.51 H new ATOM 0 HE1 HIS A 40 9.915 10.096 12.665 1.00 1.05 H new ATOM 0 HE2 HIS A 40 11.045 7.835 12.840 1.00 61.23 H new ATOM 361 N HIS A 41 9.077 10.548 6.506 1.00 24.32 N ATOM 362 CA HIS A 41 8.731 11.955 6.305 1.00 14.33 C ATOM 363 C HIS A 41 7.246 12.104 5.996 1.00 55.51 C ATOM 364 O HIS A 41 6.619 13.071 6.406 1.00 34.13 O ATOM 365 CB HIS A 41 9.538 12.506 5.120 1.00 74.41 C ATOM 366 CG HIS A 41 9.519 13.991 4.948 1.00 62.15 C ATOM 367 ND1 HIS A 41 8.426 14.717 4.523 1.00 65.43 N ATOM 368 CD2 HIS A 41 10.493 14.877 5.153 1.00 11.13 C ATOM 369 CE1 HIS A 41 8.747 15.994 4.482 1.00 41.24 C ATOM 370 NE2 HIS A 41 9.997 16.119 4.862 1.00 72.31 N ATOM 0 H HIS A 41 9.734 10.194 5.811 1.00 24.32 H new ATOM 0 HA HIS A 41 8.962 12.506 7.217 1.00 14.33 H new ATOM 0 HB2 HIS A 41 10.574 12.186 5.232 1.00 74.41 H new ATOM 0 HB3 HIS A 41 9.160 12.049 4.205 1.00 74.41 H new ATOM 0 HD2 HIS A 41 11.495 14.655 5.489 1.00 11.13 H new ATOM 0 HE1 HIS A 41 8.093 16.801 4.186 1.00 41.24 H new ATOM 0 HE2 HIS A 41 10.513 16.996 4.929 1.00 72.31 H new ATOM 778 N THR A 70 -6.331 9.839 11.410 1.00 2.14 N ATOM 779 CA THR A 70 -6.149 8.859 12.454 1.00 21.24 C ATOM 780 C THR A 70 -6.061 7.450 11.875 1.00 73.44 C ATOM 781 O THR A 70 -6.315 7.244 10.674 1.00 74.04 O ATOM 782 CB THR A 70 -7.313 8.938 13.474 1.00 22.44 C ATOM 783 OG1 THR A 70 -8.571 9.074 12.776 1.00 4.44 O ATOM 784 CG2 THR A 70 -7.131 10.089 14.456 1.00 11.43 C ATOM 0 HA THR A 70 -5.211 9.080 12.963 1.00 21.24 H new ATOM 0 HB THR A 70 -7.313 8.013 14.050 1.00 22.44 H new ATOM 0 HG1 THR A 70 -8.439 9.609 11.966 1.00 4.44 H new ATOM 0 HG21 THR A 70 -7.969 10.108 15.153 1.00 11.43 H new ATOM 0 HG22 THR A 70 -6.202 9.952 15.009 1.00 11.43 H new ATOM 0 HG23 THR A 70 -7.092 11.031 13.909 1.00 11.43 H new ATOM 792 N VAL A 71 -5.698 6.486 12.717 1.00 21.20 N ATOM 793 CA VAL A 71 -5.607 5.095 12.305 1.00 63.54 C ATOM 794 C VAL A 71 -7.018 4.597 11.980 1.00 30.35 C ATOM 795 O VAL A 71 -7.982 4.955 12.664 1.00 75.05 O ATOM 796 CB VAL A 71 -4.962 4.202 13.414 1.00 25.21 C ATOM 797 CG1 VAL A 71 -4.787 2.767 12.932 1.00 4.25 C ATOM 798 CG2 VAL A 71 -3.621 4.768 13.850 1.00 72.02 C ATOM 0 H VAL A 71 -5.461 6.649 13.696 1.00 21.20 H new ATOM 0 HA VAL A 71 -4.964 5.027 11.427 1.00 63.54 H new ATOM 0 HB VAL A 71 -5.638 4.200 14.269 1.00 25.21 H new ATOM 0 HG11 VAL A 71 -4.336 2.169 13.724 1.00 4.25 H new ATOM 0 HG12 VAL A 71 -5.760 2.350 12.671 1.00 4.25 H new ATOM 0 HG13 VAL A 71 -4.140 2.754 12.055 1.00 4.25 H new ATOM 0 HG21 VAL A 71 -3.191 4.130 14.622 1.00 72.02 H new ATOM 0 HG22 VAL A 71 -2.947 4.807 12.994 1.00 72.02 H new ATOM 0 HG23 VAL A 71 -3.762 5.773 14.247 1.00 72.02 H new ATOM 808 N GLY A 72 -7.143 3.807 10.944 1.00 44.21 N ATOM 809 CA GLY A 72 -8.451 3.380 10.510 1.00 61.04 C ATOM 810 C GLY A 72 -8.857 4.107 9.257 1.00 42.24 C ATOM 811 O GLY A 72 -9.943 3.884 8.715 1.00 61.20 O ATOM 0 H GLY A 72 -6.365 3.449 10.390 1.00 44.21 H new ATOM 0 HA2 GLY A 72 -8.447 2.305 10.328 1.00 61.04 H new ATOM 0 HA3 GLY A 72 -9.181 3.567 11.298 1.00 61.04 H new ATOM 815 N SER A 73 -7.970 4.977 8.812 1.00 43.31 N ATOM 816 CA SER A 73 -8.146 5.769 7.619 1.00 0.22 C ATOM 817 C SER A 73 -8.302 4.870 6.393 1.00 33.23 C ATOM 818 O SER A 73 -7.736 3.758 6.340 1.00 64.11 O ATOM 819 CB SER A 73 -6.920 6.695 7.455 1.00 61.14 C ATOM 820 OG SER A 73 -7.027 7.555 6.329 1.00 21.34 O ATOM 0 H SER A 73 -7.085 5.154 9.287 1.00 43.31 H new ATOM 0 HA SER A 73 -9.052 6.368 7.710 1.00 0.22 H new ATOM 0 HB2 SER A 73 -6.802 7.297 8.356 1.00 61.14 H new ATOM 0 HB3 SER A 73 -6.021 6.086 7.358 1.00 61.14 H new ATOM 0 HG SER A 73 -6.228 8.120 6.272 1.00 21.34 H new ATOM 826 N ILE A 74 -9.097 5.336 5.444 1.00 51.14 N ATOM 827 CA ILE A 74 -9.335 4.659 4.190 1.00 34.24 C ATOM 828 C ILE A 74 -9.144 5.637 3.043 1.00 51.01 C ATOM 829 O ILE A 74 -9.877 6.638 2.928 1.00 53.44 O ATOM 830 CB ILE A 74 -10.766 4.073 4.140 1.00 3.23 C ATOM 831 CG1 ILE A 74 -10.893 2.984 5.191 1.00 12.22 C ATOM 832 CG2 ILE A 74 -11.096 3.528 2.751 1.00 61.54 C ATOM 833 CD1 ILE A 74 -12.262 2.396 5.309 1.00 0.41 C ATOM 0 H ILE A 74 -9.604 6.217 5.531 1.00 51.14 H new ATOM 0 HA ILE A 74 -8.624 3.837 4.100 1.00 34.24 H new ATOM 0 HB ILE A 74 -11.481 4.868 4.351 1.00 3.23 H new ATOM 0 HG12 ILE A 74 -10.187 2.187 4.958 1.00 12.22 H new ATOM 0 HG13 ILE A 74 -10.602 3.394 6.158 1.00 12.22 H new ATOM 0 HG21 ILE A 74 -12.108 3.124 2.750 1.00 61.54 H new ATOM 0 HG22 ILE A 74 -11.026 4.332 2.018 1.00 61.54 H new ATOM 0 HG23 ILE A 74 -10.390 2.739 2.493 1.00 61.54 H new ATOM 0 HD11 ILE A 74 -12.262 1.627 6.082 1.00 0.41 H new ATOM 0 HD12 ILE A 74 -12.972 3.179 5.575 1.00 0.41 H new ATOM 0 HD13 ILE A 74 -12.551 1.953 4.356 1.00 0.41 H new ATOM 845 N VAL A 75 -8.175 5.375 2.224 1.00 1.44 N ATOM 846 CA VAL A 75 -7.866 6.217 1.075 1.00 51.22 C ATOM 847 C VAL A 75 -7.683 5.338 -0.148 1.00 1.01 C ATOM 848 O VAL A 75 -7.105 4.269 -0.062 1.00 62.05 O ATOM 849 CB VAL A 75 -6.566 7.063 1.307 1.00 65.34 C ATOM 850 CG1 VAL A 75 -6.234 7.915 0.090 1.00 4.42 C ATOM 851 CG2 VAL A 75 -6.698 7.950 2.534 1.00 14.24 C ATOM 0 H VAL A 75 -7.561 4.566 2.321 1.00 1.44 H new ATOM 0 HA VAL A 75 -8.694 6.910 0.929 1.00 51.22 H new ATOM 0 HB VAL A 75 -5.751 6.358 1.471 1.00 65.34 H new ATOM 0 HG11 VAL A 75 -5.328 8.489 0.284 1.00 4.42 H new ATOM 0 HG12 VAL A 75 -6.077 7.270 -0.774 1.00 4.42 H new ATOM 0 HG13 VAL A 75 -7.059 8.598 -0.112 1.00 4.42 H new ATOM 0 HG21 VAL A 75 -5.781 8.524 2.668 1.00 14.24 H new ATOM 0 HG22 VAL A 75 -7.537 8.633 2.401 1.00 14.24 H new ATOM 0 HG23 VAL A 75 -6.870 7.330 3.414 1.00 14.24 H new ATOM 861 N PHE A 76 -8.170 5.783 -1.274 1.00 71.40 N ATOM 862 CA PHE A 76 -8.070 5.000 -2.461 1.00 43.02 C ATOM 863 C PHE A 76 -7.130 5.618 -3.452 1.00 30.51 C ATOM 864 O PHE A 76 -7.109 6.842 -3.638 1.00 32.24 O ATOM 865 CB PHE A 76 -9.440 4.780 -3.091 1.00 63.14 C ATOM 866 CG PHE A 76 -10.396 4.071 -2.184 1.00 44.54 C ATOM 867 CD1 PHE A 76 -10.065 2.845 -1.663 1.00 21.31 C ATOM 868 CD2 PHE A 76 -11.616 4.623 -1.862 1.00 44.11 C ATOM 869 CE1 PHE A 76 -10.923 2.172 -0.833 1.00 1.15 C ATOM 870 CE2 PHE A 76 -12.491 3.959 -1.029 1.00 42.51 C ATOM 871 CZ PHE A 76 -12.143 2.728 -0.512 1.00 0.42 C ATOM 0 H PHE A 76 -8.638 6.682 -1.388 1.00 71.40 H new ATOM 0 HA PHE A 76 -7.664 4.030 -2.174 1.00 43.02 H new ATOM 0 HB2 PHE A 76 -9.863 5.744 -3.373 1.00 63.14 H new ATOM 0 HB3 PHE A 76 -9.323 4.203 -4.008 1.00 63.14 H new ATOM 0 HD1 PHE A 76 -9.111 2.403 -1.912 1.00 21.31 H new ATOM 0 HD2 PHE A 76 -11.890 5.586 -2.266 1.00 44.11 H new ATOM 0 HE1 PHE A 76 -10.644 1.209 -0.432 1.00 1.15 H new ATOM 0 HE2 PHE A 76 -13.445 4.401 -0.782 1.00 42.51 H new ATOM 0 HZ PHE A 76 -12.823 2.202 0.141 1.00 0.42 H new ATOM 881 N TRP A 77 -6.344 4.786 -4.068 1.00 51.14 N ATOM 882 CA TRP A 77 -5.445 5.205 -5.101 1.00 35.23 C ATOM 883 C TRP A 77 -5.955 4.709 -6.418 1.00 1.22 C ATOM 884 O TRP A 77 -6.400 3.556 -6.527 1.00 12.54 O ATOM 885 CB TRP A 77 -4.022 4.698 -4.841 1.00 4.50 C ATOM 886 CG TRP A 77 -3.432 5.268 -3.599 1.00 24.25 C ATOM 887 CD1 TRP A 77 -3.060 6.549 -3.418 1.00 73.54 C ATOM 888 CD2 TRP A 77 -3.132 4.585 -2.379 1.00 72.21 C ATOM 889 NE1 TRP A 77 -2.564 6.734 -2.158 1.00 50.23 N ATOM 890 CE2 TRP A 77 -2.595 5.539 -1.495 1.00 23.42 C ATOM 891 CE3 TRP A 77 -3.271 3.268 -1.942 1.00 41.01 C ATOM 892 CZ2 TRP A 77 -2.197 5.220 -0.210 1.00 51.33 C ATOM 893 CZ3 TRP A 77 -2.871 2.953 -0.662 1.00 64.35 C ATOM 894 CH2 TRP A 77 -2.343 3.925 0.192 1.00 32.41 C ATOM 0 H TRP A 77 -6.309 3.787 -3.865 1.00 51.14 H new ATOM 0 HA TRP A 77 -5.399 6.294 -5.114 1.00 35.23 H new ATOM 0 HB2 TRP A 77 -4.035 3.611 -4.767 1.00 4.50 H new ATOM 0 HB3 TRP A 77 -3.388 4.952 -5.690 1.00 4.50 H new ATOM 0 HD1 TRP A 77 -3.142 7.324 -4.166 1.00 73.54 H new ATOM 0 HE1 TRP A 77 -2.227 7.617 -1.776 1.00 50.23 H new ATOM 0 HE3 TRP A 77 -3.683 2.511 -2.593 1.00 41.01 H new ATOM 0 HZ2 TRP A 77 -1.786 5.969 0.451 1.00 51.33 H new ATOM 0 HZ3 TRP A 77 -2.967 1.936 -0.312 1.00 64.35 H new ATOM 0 HH2 TRP A 77 -2.044 3.645 1.191 1.00 32.41 H new ATOM 905 N ASN A 78 -5.944 5.569 -7.398 1.00 43.11 N ATOM 906 CA ASN A 78 -6.443 5.228 -8.706 1.00 63.22 C ATOM 907 C ASN A 78 -5.353 5.398 -9.728 1.00 32.13 C ATOM 908 O ASN A 78 -4.666 6.421 -9.751 1.00 22.34 O ATOM 909 CB ASN A 78 -7.648 6.106 -9.109 1.00 30.54 C ATOM 910 CG ASN A 78 -8.852 6.032 -8.164 1.00 23.34 C ATOM 911 OD1 ASN A 78 -9.033 4.922 -7.493 1.00 64.34 O flip ATOM 912 ND2 ASN A 78 -9.615 6.998 -8.044 1.00 70.20 N flip ATOM 0 H ASN A 78 -5.591 6.523 -7.316 1.00 43.11 H new ATOM 0 HA ASN A 78 -6.772 4.190 -8.669 1.00 63.22 H new ATOM 0 HB2 ASN A 78 -7.318 7.143 -9.171 1.00 30.54 H new ATOM 0 HB3 ASN A 78 -7.972 5.815 -10.108 1.00 30.54 H new ATOM 0 HD21 ASN A 78 -9.448 7.849 -8.580 1.00 70.20 H new ATOM 0 HD22 ASN A 78 -10.411 6.943 -7.409 1.00 70.20 H new ATOM 919 N TYR A 79 -5.183 4.415 -10.553 1.00 44.23 N ATOM 920 CA TYR A 79 -4.212 4.473 -11.618 1.00 12.20 C ATOM 921 C TYR A 79 -4.842 3.901 -12.865 1.00 73.32 C ATOM 922 O TYR A 79 -5.789 3.134 -12.771 1.00 55.41 O ATOM 923 CB TYR A 79 -2.910 3.749 -11.233 1.00 44.45 C ATOM 924 CG TYR A 79 -3.037 2.267 -10.969 1.00 71.44 C ATOM 925 CD1 TYR A 79 -3.431 1.785 -9.725 1.00 53.44 C ATOM 926 CD2 TYR A 79 -2.739 1.350 -11.962 1.00 64.10 C ATOM 927 CE1 TYR A 79 -3.529 0.428 -9.489 1.00 11.13 C ATOM 928 CE2 TYR A 79 -2.828 0.004 -11.736 1.00 52.15 C ATOM 929 CZ TYR A 79 -3.221 -0.459 -10.503 1.00 15.23 C ATOM 930 OH TYR A 79 -3.298 -1.814 -10.288 1.00 11.34 O ATOM 0 H TYR A 79 -5.711 3.543 -10.514 1.00 44.23 H new ATOM 0 HA TYR A 79 -3.928 5.508 -11.807 1.00 12.20 H new ATOM 0 HB2 TYR A 79 -2.184 3.896 -12.033 1.00 44.45 H new ATOM 0 HB3 TYR A 79 -2.502 4.224 -10.341 1.00 44.45 H new ATOM 0 HD1 TYR A 79 -3.663 2.482 -8.933 1.00 53.44 H new ATOM 0 HD2 TYR A 79 -2.430 1.704 -12.934 1.00 64.10 H new ATOM 0 HE1 TYR A 79 -3.843 0.064 -8.522 1.00 11.13 H new ATOM 0 HE2 TYR A 79 -2.590 -0.694 -12.525 1.00 52.15 H new ATOM 0 HH TYR A 79 -2.490 -2.247 -10.635 1.00 11.34 H new ATOM 940 N VAL A 80 -4.344 4.247 -14.013 1.00 24.22 N ATOM 941 CA VAL A 80 -5.007 3.863 -15.238 1.00 5.01 C ATOM 942 C VAL A 80 -4.247 2.780 -15.993 1.00 52.31 C ATOM 943 O VAL A 80 -3.070 2.933 -16.315 1.00 42.44 O ATOM 944 CB VAL A 80 -5.243 5.094 -16.150 1.00 42.41 C ATOM 945 CG1 VAL A 80 -6.010 4.712 -17.418 1.00 1.11 C ATOM 946 CG2 VAL A 80 -5.987 6.176 -15.381 1.00 72.04 C ATOM 0 H VAL A 80 -3.489 4.790 -14.135 1.00 24.22 H new ATOM 0 HA VAL A 80 -5.973 3.445 -14.955 1.00 5.01 H new ATOM 0 HB VAL A 80 -4.271 5.480 -16.458 1.00 42.41 H new ATOM 0 HG11 VAL A 80 -6.158 5.599 -18.035 1.00 1.11 H new ATOM 0 HG12 VAL A 80 -5.440 3.971 -17.979 1.00 1.11 H new ATOM 0 HG13 VAL A 80 -6.979 4.294 -17.145 1.00 1.11 H new ATOM 0 HG21 VAL A 80 -6.149 7.037 -16.029 1.00 72.04 H new ATOM 0 HG22 VAL A 80 -6.949 5.788 -15.046 1.00 72.04 H new ATOM 0 HG23 VAL A 80 -5.397 6.479 -14.516 1.00 72.04 H new ATOM 956 N HIS A 81 -4.937 1.688 -16.256 1.00 54.11 N ATOM 957 CA HIS A 81 -4.399 0.579 -17.020 1.00 12.30 C ATOM 958 C HIS A 81 -5.538 0.037 -17.894 1.00 34.23 C ATOM 959 O HIS A 81 -6.650 -0.150 -17.405 1.00 35.34 O ATOM 960 CB HIS A 81 -3.831 -0.503 -16.070 1.00 43.50 C ATOM 961 CG HIS A 81 -3.109 -1.642 -16.751 1.00 73.44 C ATOM 962 ND1 HIS A 81 -3.569 -2.786 -17.277 1.00 10.22 N flip ATOM 963 CD2 HIS A 81 -1.745 -1.681 -16.911 1.00 50.15 C flip ATOM 964 CE1 HIS A 81 -2.492 -3.490 -17.742 1.00 53.52 C flip ATOM 965 NE2 HIS A 81 -1.405 -2.799 -17.508 1.00 61.52 N flip ATOM 0 H HIS A 81 -5.897 1.544 -15.942 1.00 54.11 H new ATOM 0 HA HIS A 81 -3.571 0.898 -17.653 1.00 12.30 H new ATOM 0 HB2 HIS A 81 -3.145 -0.026 -15.370 1.00 43.50 H new ATOM 0 HB3 HIS A 81 -4.651 -0.914 -15.482 1.00 43.50 H new ATOM 0 HD1 HIS A 81 -4.545 -3.079 -17.322 1.00 10.22 H new ATOM 0 HD2 HIS A 81 -1.058 -0.910 -16.594 1.00 50.15 H new ATOM 0 HE1 HIS A 81 -2.532 -4.456 -18.223 1.00 53.52 H new ATOM 974 N ASP A 82 -5.261 -0.155 -19.182 1.00 60.41 N ATOM 975 CA ASP A 82 -6.257 -0.585 -20.216 1.00 3.31 C ATOM 976 C ASP A 82 -7.357 0.439 -20.350 1.00 71.31 C ATOM 977 O ASP A 82 -8.479 0.130 -20.777 1.00 12.41 O ATOM 978 CB ASP A 82 -6.901 -1.960 -19.908 1.00 71.10 C ATOM 979 CG ASP A 82 -5.950 -3.115 -19.964 1.00 23.53 C ATOM 980 OD1 ASP A 82 -5.386 -3.389 -21.047 1.00 20.12 O ATOM 981 OD2 ASP A 82 -5.744 -3.768 -18.934 1.00 23.34 O ATOM 0 H ASP A 82 -4.325 -0.019 -19.565 1.00 60.41 H new ATOM 0 HA ASP A 82 -5.698 -0.676 -21.147 1.00 3.31 H new ATOM 0 HB2 ASP A 82 -7.350 -1.923 -18.916 1.00 71.10 H new ATOM 0 HB3 ASP A 82 -7.709 -2.136 -20.618 1.00 71.10 H new ATOM 986 N GLY A 83 -7.019 1.672 -20.065 1.00 61.43 N ATOM 987 CA GLY A 83 -7.982 2.741 -20.142 1.00 31.33 C ATOM 988 C GLY A 83 -8.944 2.761 -18.964 1.00 22.13 C ATOM 989 O GLY A 83 -9.818 3.625 -18.889 1.00 31.34 O ATOM 0 H GLY A 83 -6.084 1.960 -19.777 1.00 61.43 H new ATOM 0 HA2 GLY A 83 -7.455 3.694 -20.190 1.00 31.33 H new ATOM 0 HA3 GLY A 83 -8.551 2.644 -21.067 1.00 31.33 H new ATOM 993 N GLU A 84 -8.808 1.808 -18.059 1.00 41.30 N ATOM 994 CA GLU A 84 -9.640 1.763 -16.880 1.00 14.11 C ATOM 995 C GLU A 84 -8.891 2.285 -15.711 1.00 60.02 C ATOM 996 O GLU A 84 -7.658 2.203 -15.656 1.00 41.23 O ATOM 997 CB GLU A 84 -10.091 0.353 -16.529 1.00 51.22 C ATOM 998 CG GLU A 84 -10.993 -0.317 -17.516 1.00 42.24 C ATOM 999 CD GLU A 84 -11.430 -1.667 -17.005 1.00 35.45 C ATOM 1000 OE1 GLU A 84 -12.405 -1.719 -16.227 1.00 3.45 O ATOM 1001 OE2 GLU A 84 -10.793 -2.685 -17.324 1.00 43.41 O ATOM 0 H GLU A 84 -8.125 1.054 -18.123 1.00 41.30 H new ATOM 0 HA GLU A 84 -10.517 2.370 -17.106 1.00 14.11 H new ATOM 0 HB2 GLU A 84 -9.205 -0.268 -16.399 1.00 51.22 H new ATOM 0 HB3 GLU A 84 -10.601 0.386 -15.566 1.00 51.22 H new ATOM 0 HG2 GLU A 84 -11.867 0.308 -17.701 1.00 42.24 H new ATOM 0 HG3 GLU A 84 -10.476 -0.433 -18.469 1.00 42.24 H new ATOM 1008 N ALA A 85 -9.610 2.794 -14.784 1.00 31.42 N ATOM 1009 CA ALA A 85 -9.033 3.242 -13.565 1.00 61.43 C ATOM 1010 C ALA A 85 -9.069 2.105 -12.564 1.00 55.01 C ATOM 1011 O ALA A 85 -10.133 1.580 -12.240 1.00 72.43 O ATOM 1012 CB ALA A 85 -9.757 4.465 -13.030 1.00 20.03 C ATOM 0 H ALA A 85 -10.621 2.915 -14.845 1.00 31.42 H new ATOM 0 HA ALA A 85 -7.999 3.539 -13.742 1.00 61.43 H new ATOM 0 HB1 ALA A 85 -9.292 4.784 -12.097 1.00 20.03 H new ATOM 0 HB2 ALA A 85 -9.696 5.272 -13.760 1.00 20.03 H new ATOM 0 HB3 ALA A 85 -10.803 4.218 -12.849 1.00 20.03 H new ATOM 1018 N LYS A 86 -7.924 1.719 -12.112 1.00 32.52 N ATOM 1019 CA LYS A 86 -7.780 0.673 -11.144 1.00 55.35 C ATOM 1020 C LYS A 86 -7.707 1.284 -9.785 1.00 30.45 C ATOM 1021 O LYS A 86 -7.175 2.391 -9.620 1.00 44.41 O ATOM 1022 CB LYS A 86 -6.535 -0.179 -11.413 1.00 70.30 C ATOM 1023 CG LYS A 86 -6.673 -1.234 -12.511 1.00 62.01 C ATOM 1024 CD LYS A 86 -7.076 -0.684 -13.856 1.00 34.24 C ATOM 1025 CE LYS A 86 -7.218 -1.805 -14.862 1.00 34.31 C ATOM 1026 NZ LYS A 86 -8.230 -2.809 -14.462 1.00 44.33 N ATOM 0 H LYS A 86 -7.038 2.129 -12.409 1.00 32.52 H new ATOM 0 HA LYS A 86 -8.643 0.011 -11.212 1.00 55.35 H new ATOM 0 HB2 LYS A 86 -5.713 0.486 -11.676 1.00 70.30 H new ATOM 0 HB3 LYS A 86 -6.255 -0.681 -10.487 1.00 70.30 H new ATOM 0 HG2 LYS A 86 -5.723 -1.758 -12.616 1.00 62.01 H new ATOM 0 HG3 LYS A 86 -7.411 -1.972 -12.198 1.00 62.01 H new ATOM 0 HD2 LYS A 86 -8.019 -0.144 -13.768 1.00 34.24 H new ATOM 0 HD3 LYS A 86 -6.330 0.032 -14.202 1.00 34.24 H new ATOM 0 HE2 LYS A 86 -7.491 -1.386 -15.830 1.00 34.31 H new ATOM 0 HE3 LYS A 86 -6.254 -2.298 -14.989 1.00 34.31 H new ATOM 0 HZ1 LYS A 86 -8.496 -3.382 -15.288 1.00 44.33 H new ATOM 0 HZ2 LYS A 86 -7.834 -3.427 -13.725 1.00 44.33 H new ATOM 0 HZ3 LYS A 86 -9.072 -2.324 -14.091 1.00 44.33 H new ATOM 1040 N VAL A 87 -8.232 0.595 -8.819 1.00 1.24 N ATOM 1041 CA VAL A 87 -8.343 1.130 -7.496 1.00 64.12 C ATOM 1042 C VAL A 87 -7.607 0.258 -6.494 1.00 72.21 C ATOM 1043 O VAL A 87 -7.621 -0.970 -6.593 1.00 34.24 O ATOM 1044 CB VAL A 87 -9.846 1.247 -7.078 1.00 12.44 C ATOM 1045 CG1 VAL A 87 -10.010 1.818 -5.677 1.00 31.33 C ATOM 1046 CG2 VAL A 87 -10.637 2.072 -8.087 1.00 41.32 C ATOM 0 H VAL A 87 -8.595 -0.352 -8.924 1.00 1.24 H new ATOM 0 HA VAL A 87 -7.890 2.122 -7.499 1.00 64.12 H new ATOM 0 HB VAL A 87 -10.248 0.234 -7.068 1.00 12.44 H new ATOM 0 HG11 VAL A 87 -11.070 1.880 -5.431 1.00 31.33 H new ATOM 0 HG12 VAL A 87 -9.509 1.169 -4.959 1.00 31.33 H new ATOM 0 HG13 VAL A 87 -9.569 2.814 -5.636 1.00 31.33 H new ATOM 0 HG21 VAL A 87 -11.678 2.135 -7.769 1.00 41.32 H new ATOM 0 HG22 VAL A 87 -10.215 3.075 -8.148 1.00 41.32 H new ATOM 0 HG23 VAL A 87 -10.585 1.596 -9.066 1.00 41.32 H new ATOM 1056 N ALA A 88 -6.986 0.896 -5.541 1.00 21.03 N ATOM 1057 CA ALA A 88 -6.336 0.226 -4.450 1.00 2.34 C ATOM 1058 C ALA A 88 -7.192 0.474 -3.223 1.00 10.15 C ATOM 1059 O ALA A 88 -7.380 1.622 -2.825 1.00 2.43 O ATOM 1060 CB ALA A 88 -4.938 0.803 -4.247 1.00 40.50 C ATOM 0 H ALA A 88 -6.916 1.913 -5.500 1.00 21.03 H new ATOM 0 HA ALA A 88 -6.229 -0.841 -4.643 1.00 2.34 H new ATOM 0 HB1 ALA A 88 -4.450 0.291 -3.418 1.00 40.50 H new ATOM 0 HB2 ALA A 88 -4.352 0.664 -5.155 1.00 40.50 H new ATOM 0 HB3 ALA A 88 -5.013 1.867 -4.023 1.00 40.50 H new ATOM 1066 N LYS A 89 -7.749 -0.590 -2.664 1.00 3.45 N ATOM 1067 CA LYS A 89 -8.677 -0.471 -1.562 1.00 23.22 C ATOM 1068 C LYS A 89 -7.941 -0.824 -0.282 1.00 4.30 C ATOM 1069 O LYS A 89 -7.376 -1.915 -0.185 1.00 11.43 O ATOM 1070 CB LYS A 89 -9.922 -1.407 -1.744 1.00 62.35 C ATOM 1071 CG LYS A 89 -10.609 -1.406 -3.143 1.00 71.31 C ATOM 1072 CD LYS A 89 -9.774 -2.141 -4.217 1.00 63.43 C ATOM 1073 CE LYS A 89 -10.480 -2.177 -5.569 1.00 41.24 C ATOM 1074 NZ LYS A 89 -9.663 -2.857 -6.617 1.00 64.24 N ATOM 0 H LYS A 89 -7.569 -1.549 -2.962 1.00 3.45 H new ATOM 0 HA LYS A 89 -9.051 0.552 -1.522 1.00 23.22 H new ATOM 0 HB2 LYS A 89 -9.614 -2.428 -1.518 1.00 62.35 H new ATOM 0 HB3 LYS A 89 -10.668 -1.127 -1.000 1.00 62.35 H new ATOM 0 HG2 LYS A 89 -11.588 -1.879 -3.063 1.00 71.31 H new ATOM 0 HG3 LYS A 89 -10.777 -0.377 -3.460 1.00 71.31 H new ATOM 0 HD2 LYS A 89 -8.809 -1.647 -4.326 1.00 63.43 H new ATOM 0 HD3 LYS A 89 -9.575 -3.160 -3.886 1.00 63.43 H new ATOM 0 HE2 LYS A 89 -11.435 -2.693 -5.464 1.00 41.24 H new ATOM 0 HE3 LYS A 89 -10.701 -1.158 -5.888 1.00 41.24 H new ATOM 0 HZ1 LYS A 89 -10.101 -2.710 -7.549 1.00 64.24 H new ATOM 0 HZ2 LYS A 89 -8.702 -2.460 -6.620 1.00 64.24 H new ATOM 0 HZ3 LYS A 89 -9.616 -3.876 -6.413 1.00 64.24 H new ATOM 1088 N GLU A 90 -7.963 0.065 0.703 1.00 21.12 N ATOM 1089 CA GLU A 90 -7.175 -0.123 1.897 1.00 42.41 C ATOM 1090 C GLU A 90 -7.822 0.519 3.104 1.00 61.42 C ATOM 1091 O GLU A 90 -8.656 1.406 2.974 1.00 0.12 O ATOM 1092 CB GLU A 90 -5.733 0.391 1.664 1.00 40.40 C ATOM 1093 CG GLU A 90 -5.596 1.881 1.292 1.00 53.12 C ATOM 1094 CD GLU A 90 -5.512 2.844 2.482 1.00 22.33 C ATOM 1095 OE1 GLU A 90 -4.372 3.115 2.959 1.00 24.15 O ATOM 1096 OE2 GLU A 90 -6.536 3.361 2.938 1.00 4.02 O ATOM 0 H GLU A 90 -8.520 0.920 0.691 1.00 21.12 H new ATOM 0 HA GLU A 90 -7.124 -1.190 2.114 1.00 42.41 H new ATOM 0 HB2 GLU A 90 -5.153 0.209 2.569 1.00 40.40 H new ATOM 0 HB3 GLU A 90 -5.281 -0.204 0.870 1.00 40.40 H new ATOM 0 HG2 GLU A 90 -4.703 2.006 0.680 1.00 53.12 H new ATOM 0 HG3 GLU A 90 -6.448 2.165 0.674 1.00 53.12 H new ATOM 1103 N ARG A 91 -7.508 -0.021 4.244 1.00 63.22 N ATOM 1104 CA ARG A 91 -7.929 0.486 5.523 1.00 10.44 C ATOM 1105 C ARG A 91 -6.714 0.363 6.412 1.00 1.22 C ATOM 1106 O ARG A 91 -6.159 -0.736 6.515 1.00 61.13 O ATOM 1107 CB ARG A 91 -9.086 -0.408 6.023 1.00 51.51 C ATOM 1108 CG ARG A 91 -9.884 0.014 7.275 1.00 11.55 C ATOM 1109 CD ARG A 91 -9.120 -0.061 8.590 1.00 35.34 C ATOM 1110 NE ARG A 91 -10.021 0.195 9.745 1.00 42.44 N ATOM 1111 CZ ARG A 91 -9.660 0.203 11.048 1.00 50.23 C ATOM 1112 NH1 ARG A 91 -8.394 0.082 11.396 1.00 4.42 N ATOM 1113 NH2 ARG A 91 -10.584 0.368 11.994 1.00 63.44 N ATOM 0 H ARG A 91 -6.930 -0.858 4.315 1.00 63.22 H new ATOM 0 HA ARG A 91 -8.283 1.516 5.499 1.00 10.44 H new ATOM 0 HB2 ARG A 91 -9.796 -0.513 5.203 1.00 51.51 H new ATOM 0 HB3 ARG A 91 -8.674 -1.398 6.216 1.00 51.51 H new ATOM 0 HG2 ARG A 91 -10.234 1.037 7.135 1.00 11.55 H new ATOM 0 HG3 ARG A 91 -10.769 -0.618 7.351 1.00 11.55 H new ATOM 0 HD2 ARG A 91 -8.662 -1.045 8.693 1.00 35.34 H new ATOM 0 HD3 ARG A 91 -8.311 0.669 8.587 1.00 35.34 H new ATOM 0 HE ARG A 91 -11.002 0.382 9.535 1.00 42.44 H new ATOM 0 HH11 ARG A 91 -7.675 -0.019 10.679 1.00 4.42 H new ATOM 0 HH12 ARG A 91 -8.133 0.089 12.382 1.00 4.42 H new ATOM 0 HH21 ARG A 91 -11.563 0.488 11.735 1.00 63.44 H new ATOM 0 HH22 ARG A 91 -10.312 0.374 12.977 1.00 63.44 H new ATOM 1127 N ILE A 92 -6.260 1.449 7.011 1.00 31.42 N ATOM 1128 CA ILE A 92 -5.088 1.355 7.887 1.00 3.24 C ATOM 1129 C ILE A 92 -5.445 0.529 9.109 1.00 42.31 C ATOM 1130 O ILE A 92 -6.359 0.874 9.839 1.00 32.12 O ATOM 1131 CB ILE A 92 -4.581 2.748 8.362 1.00 71.43 C ATOM 1132 CG1 ILE A 92 -4.229 3.639 7.165 1.00 34.14 C ATOM 1133 CG2 ILE A 92 -3.368 2.583 9.277 1.00 12.30 C ATOM 1134 CD1 ILE A 92 -3.690 5.005 7.548 1.00 3.43 C ATOM 0 H ILE A 92 -6.663 2.381 6.918 1.00 31.42 H new ATOM 0 HA ILE A 92 -4.290 0.888 7.310 1.00 3.24 H new ATOM 0 HB ILE A 92 -5.382 3.232 8.921 1.00 71.43 H new ATOM 0 HG12 ILE A 92 -3.489 3.127 6.550 1.00 34.14 H new ATOM 0 HG13 ILE A 92 -5.119 3.771 6.549 1.00 34.14 H new ATOM 0 HG21 ILE A 92 -3.022 3.564 9.603 1.00 12.30 H new ATOM 0 HG22 ILE A 92 -3.647 1.989 10.147 1.00 12.30 H new ATOM 0 HG23 ILE A 92 -2.569 2.078 8.734 1.00 12.30 H new ATOM 0 HD11 ILE A 92 -3.465 5.574 6.646 1.00 3.43 H new ATOM 0 HD12 ILE A 92 -4.436 5.539 8.137 1.00 3.43 H new ATOM 0 HD13 ILE A 92 -2.781 4.885 8.137 1.00 3.43 H new ATOM 1146 N GLU A 93 -4.725 -0.536 9.331 1.00 52.13 N ATOM 1147 CA GLU A 93 -4.998 -1.402 10.457 1.00 24.11 C ATOM 1148 C GLU A 93 -4.079 -1.032 11.611 1.00 30.32 C ATOM 1149 O GLU A 93 -4.501 -0.950 12.759 1.00 35.44 O ATOM 1150 CB GLU A 93 -4.776 -2.854 10.043 1.00 73.15 C ATOM 1151 CG GLU A 93 -5.166 -3.880 11.089 1.00 31.24 C ATOM 1152 CD GLU A 93 -6.629 -3.813 11.437 1.00 22.04 C ATOM 1153 OE1 GLU A 93 -7.457 -4.207 10.608 1.00 43.42 O ATOM 1154 OE2 GLU A 93 -6.973 -3.389 12.547 1.00 24.31 O ATOM 0 H GLU A 93 -3.941 -0.830 8.748 1.00 52.13 H new ATOM 0 HA GLU A 93 -6.033 -1.281 10.778 1.00 24.11 H new ATOM 0 HB2 GLU A 93 -5.344 -3.049 9.134 1.00 73.15 H new ATOM 0 HB3 GLU A 93 -3.723 -2.990 9.796 1.00 73.15 H new ATOM 0 HG2 GLU A 93 -4.927 -4.878 10.722 1.00 31.24 H new ATOM 0 HG3 GLU A 93 -4.573 -3.721 11.990 1.00 31.24 H new ATOM 1161 N ALA A 94 -2.835 -0.769 11.279 1.00 72.31 N ATOM 1162 CA ALA A 94 -1.829 -0.391 12.239 1.00 44.21 C ATOM 1163 C ALA A 94 -0.758 0.376 11.511 1.00 72.30 C ATOM 1164 O ALA A 94 -0.514 0.122 10.328 1.00 52.15 O ATOM 1165 CB ALA A 94 -1.231 -1.626 12.910 1.00 30.31 C ATOM 0 H ALA A 94 -2.491 -0.813 10.320 1.00 72.31 H new ATOM 0 HA ALA A 94 -2.274 0.226 13.020 1.00 44.21 H new ATOM 0 HB1 ALA A 94 -0.474 -1.318 13.631 1.00 30.31 H new ATOM 0 HB2 ALA A 94 -2.018 -2.178 13.424 1.00 30.31 H new ATOM 0 HB3 ALA A 94 -0.774 -2.265 12.155 1.00 30.31 H new ATOM 1171 N VAL A 95 -0.158 1.321 12.166 1.00 70.13 N ATOM 1172 CA VAL A 95 0.882 2.112 11.557 1.00 63.31 C ATOM 1173 C VAL A 95 1.921 2.512 12.600 1.00 64.02 C ATOM 1174 O VAL A 95 1.582 2.758 13.760 1.00 54.22 O ATOM 1175 CB VAL A 95 0.278 3.390 10.861 1.00 11.11 C ATOM 1176 CG1 VAL A 95 -0.457 4.280 11.853 1.00 12.23 C ATOM 1177 CG2 VAL A 95 1.340 4.184 10.109 1.00 61.11 C ATOM 0 H VAL A 95 -0.369 1.570 13.132 1.00 70.13 H new ATOM 0 HA VAL A 95 1.370 1.508 10.792 1.00 63.31 H new ATOM 0 HB VAL A 95 -0.448 3.032 10.131 1.00 11.11 H new ATOM 0 HG11 VAL A 95 -0.858 5.150 11.333 1.00 12.23 H new ATOM 0 HG12 VAL A 95 -1.274 3.720 12.308 1.00 12.23 H new ATOM 0 HG13 VAL A 95 0.234 4.608 12.629 1.00 12.23 H new ATOM 0 HG21 VAL A 95 0.881 5.056 9.644 1.00 61.11 H new ATOM 0 HG22 VAL A 95 2.113 4.509 10.806 1.00 61.11 H new ATOM 0 HG23 VAL A 95 1.787 3.555 9.339 1.00 61.11 H new ATOM 1187 N GLU A 96 3.174 2.535 12.217 1.00 63.33 N ATOM 1188 CA GLU A 96 4.192 3.052 13.082 1.00 43.21 C ATOM 1189 C GLU A 96 4.891 4.114 12.262 1.00 5.32 C ATOM 1190 O GLU A 96 5.646 3.779 11.340 1.00 74.11 O ATOM 1191 CB GLU A 96 5.224 1.963 13.468 1.00 44.42 C ATOM 1192 CG GLU A 96 5.968 2.227 14.747 1.00 21.10 C ATOM 1193 CD GLU A 96 5.096 2.155 15.963 1.00 3.25 C ATOM 1194 OE1 GLU A 96 4.849 1.047 16.458 1.00 24.23 O ATOM 1195 OE2 GLU A 96 4.668 3.193 16.455 1.00 53.20 O ATOM 0 H GLU A 96 3.508 2.201 11.313 1.00 63.33 H new ATOM 0 HA GLU A 96 3.760 3.427 14.010 1.00 43.21 H new ATOM 0 HB2 GLU A 96 4.708 1.007 13.555 1.00 44.42 H new ATOM 0 HB3 GLU A 96 5.946 1.863 12.658 1.00 44.42 H new ATOM 0 HG2 GLU A 96 6.777 1.503 14.845 1.00 21.10 H new ATOM 0 HG3 GLU A 96 6.427 3.214 14.695 1.00 21.10 H new ATOM 1202 N PRO A 97 4.646 5.397 12.547 1.00 20.14 N ATOM 1203 CA PRO A 97 5.262 6.497 11.798 1.00 4.41 C ATOM 1204 C PRO A 97 6.759 6.548 12.023 1.00 3.04 C ATOM 1205 O PRO A 97 7.527 6.953 11.154 1.00 73.35 O ATOM 1206 CB PRO A 97 4.585 7.757 12.368 1.00 51.01 C ATOM 1207 CG PRO A 97 4.053 7.349 13.698 1.00 31.40 C ATOM 1208 CD PRO A 97 3.711 5.891 13.582 1.00 1.34 C ATOM 0 HA PRO A 97 5.128 6.390 10.722 1.00 4.41 H new ATOM 0 HB2 PRO A 97 5.297 8.577 12.464 1.00 51.01 H new ATOM 0 HB3 PRO A 97 3.785 8.104 11.714 1.00 51.01 H new ATOM 0 HG2 PRO A 97 4.793 7.514 14.481 1.00 31.40 H new ATOM 0 HG3 PRO A 97 3.173 7.936 13.962 1.00 31.40 H new ATOM 0 HD2 PRO A 97 3.849 5.370 14.529 1.00 1.34 H new ATOM 0 HD3 PRO A 97 2.672 5.745 13.287 1.00 1.34 H new ATOM 1216 N ASP A 98 7.160 6.102 13.188 1.00 23.21 N ATOM 1217 CA ASP A 98 8.548 6.113 13.577 1.00 24.40 C ATOM 1218 C ASP A 98 9.315 4.957 12.962 1.00 45.33 C ATOM 1219 O ASP A 98 10.479 5.099 12.597 1.00 3.45 O ATOM 1220 CB ASP A 98 8.661 6.097 15.101 1.00 3.52 C ATOM 1221 CG ASP A 98 10.083 6.141 15.609 1.00 74.11 C ATOM 1222 OD1 ASP A 98 10.677 7.241 15.634 1.00 61.54 O ATOM 1223 OD2 ASP A 98 10.606 5.083 16.036 1.00 5.31 O ATOM 0 H ASP A 98 6.531 5.720 13.895 1.00 23.21 H new ATOM 0 HA ASP A 98 8.999 7.030 13.198 1.00 24.40 H new ATOM 0 HB2 ASP A 98 8.114 6.949 15.505 1.00 3.52 H new ATOM 0 HB3 ASP A 98 8.177 5.198 15.482 1.00 3.52 H new ATOM 1228 N LYS A 99 8.661 3.831 12.809 1.00 74.01 N ATOM 1229 CA LYS A 99 9.335 2.648 12.314 1.00 21.43 C ATOM 1230 C LYS A 99 9.100 2.415 10.848 1.00 45.42 C ATOM 1231 O LYS A 99 9.510 1.382 10.329 1.00 40.23 O ATOM 1232 CB LYS A 99 8.920 1.413 13.091 1.00 42.44 C ATOM 1233 CG LYS A 99 9.190 1.525 14.553 1.00 11.14 C ATOM 1234 CD LYS A 99 9.051 0.195 15.239 1.00 14.44 C ATOM 1235 CE LYS A 99 9.374 0.298 16.719 1.00 35.13 C ATOM 1236 NZ LYS A 99 9.238 -0.997 17.411 1.00 31.15 N ATOM 0 H LYS A 99 7.670 3.706 13.017 1.00 74.01 H new ATOM 0 HA LYS A 99 10.400 2.830 12.459 1.00 21.43 H new ATOM 0 HB2 LYS A 99 7.856 1.234 12.937 1.00 42.44 H new ATOM 0 HB3 LYS A 99 9.450 0.547 12.695 1.00 42.44 H new ATOM 0 HG2 LYS A 99 10.196 1.914 14.710 1.00 11.14 H new ATOM 0 HG3 LYS A 99 8.499 2.240 14.999 1.00 11.14 H new ATOM 0 HD2 LYS A 99 8.034 -0.177 15.112 1.00 14.44 H new ATOM 0 HD3 LYS A 99 9.716 -0.529 14.769 1.00 14.44 H new ATOM 0 HE2 LYS A 99 10.392 0.668 16.842 1.00 35.13 H new ATOM 0 HE3 LYS A 99 8.711 1.028 17.184 1.00 35.13 H new ATOM 0 HZ1 LYS A 99 9.468 -0.878 18.418 1.00 31.15 H new ATOM 0 HZ2 LYS A 99 8.261 -1.340 17.317 1.00 31.15 H new ATOM 0 HZ3 LYS A 99 9.889 -1.688 16.986 1.00 31.15 H new ATOM 1250 N ASN A 100 8.448 3.367 10.177 1.00 3.43 N ATOM 1251 CA ASN A 100 8.131 3.225 8.730 1.00 52.05 C ATOM 1252 C ASN A 100 7.309 1.965 8.491 1.00 70.54 C ATOM 1253 O ASN A 100 7.540 1.230 7.522 1.00 43.24 O ATOM 1254 CB ASN A 100 9.423 3.158 7.875 1.00 11.32 C ATOM 1255 CG ASN A 100 10.229 4.437 7.860 1.00 51.11 C ATOM 1256 OD1 ASN A 100 10.242 5.201 8.818 1.00 62.40 O ATOM 1257 ND2 ASN A 100 10.908 4.679 6.768 1.00 1.33 N ATOM 0 H ASN A 100 8.127 4.240 10.595 1.00 3.43 H new ATOM 0 HA ASN A 100 7.557 4.102 8.431 1.00 52.05 H new ATOM 0 HB2 ASN A 100 10.052 2.351 8.251 1.00 11.32 H new ATOM 0 HB3 ASN A 100 9.153 2.901 6.851 1.00 11.32 H new ATOM 0 HD21 ASN A 100 11.471 5.526 6.695 1.00 1.33 H new ATOM 0 HD22 ASN A 100 10.874 4.021 5.990 1.00 1.33 H new ATOM 1264 N LEU A 101 6.314 1.758 9.327 1.00 32.31 N ATOM 1265 CA LEU A 101 5.509 0.554 9.282 1.00 44.14 C ATOM 1266 C LEU A 101 4.076 0.905 8.982 1.00 12.32 C ATOM 1267 O LEU A 101 3.536 1.851 9.554 1.00 31.33 O ATOM 1268 CB LEU A 101 5.534 -0.129 10.647 1.00 12.12 C ATOM 1269 CG LEU A 101 4.701 -1.403 10.766 1.00 20.32 C ATOM 1270 CD1 LEU A 101 5.312 -2.531 9.981 1.00 73.13 C ATOM 1271 CD2 LEU A 101 4.465 -1.785 12.209 1.00 1.23 C ATOM 0 H LEU A 101 6.040 2.417 10.056 1.00 32.31 H new ATOM 0 HA LEU A 101 5.913 -0.101 8.510 1.00 44.14 H new ATOM 0 HB2 LEU A 101 6.568 -0.369 10.894 1.00 12.12 H new ATOM 0 HB3 LEU A 101 5.185 0.583 11.395 1.00 12.12 H new ATOM 0 HG LEU A 101 3.724 -1.196 10.330 1.00 20.32 H new ATOM 0 HD11 LEU A 101 4.695 -3.424 10.086 1.00 73.13 H new ATOM 0 HD12 LEU A 101 5.370 -2.252 8.929 1.00 73.13 H new ATOM 0 HD13 LEU A 101 6.314 -2.736 10.358 1.00 73.13 H new ATOM 0 HD21 LEU A 101 3.869 -2.696 12.251 1.00 1.23 H new ATOM 0 HD22 LEU A 101 5.422 -1.955 12.702 1.00 1.23 H new ATOM 0 HD23 LEU A 101 3.934 -0.980 12.716 1.00 1.23 H new ATOM 1283 N ILE A 102 3.462 0.152 8.107 1.00 65.23 N ATOM 1284 CA ILE A 102 2.080 0.370 7.757 1.00 54.52 C ATOM 1285 C ILE A 102 1.378 -0.948 7.368 1.00 4.32 C ATOM 1286 O ILE A 102 1.832 -1.687 6.484 1.00 20.15 O ATOM 1287 CB ILE A 102 1.944 1.441 6.631 1.00 3.32 C ATOM 1288 CG1 ILE A 102 0.490 1.628 6.168 1.00 54.01 C ATOM 1289 CG2 ILE A 102 2.862 1.144 5.467 1.00 41.44 C ATOM 1290 CD1 ILE A 102 -0.433 2.162 7.236 1.00 71.54 C ATOM 0 H ILE A 102 3.902 -0.627 7.618 1.00 65.23 H new ATOM 0 HA ILE A 102 1.576 0.756 8.643 1.00 54.52 H new ATOM 0 HB ILE A 102 2.257 2.390 7.066 1.00 3.32 H new ATOM 0 HG12 ILE A 102 0.476 2.309 5.317 1.00 54.01 H new ATOM 0 HG13 ILE A 102 0.106 0.670 5.817 1.00 54.01 H new ATOM 0 HG21 ILE A 102 2.740 1.911 4.702 1.00 41.44 H new ATOM 0 HG22 ILE A 102 3.896 1.137 5.812 1.00 41.44 H new ATOM 0 HG23 ILE A 102 2.613 0.170 5.047 1.00 41.44 H new ATOM 0 HD11 ILE A 102 -1.439 2.265 6.829 1.00 71.54 H new ATOM 0 HD12 ILE A 102 -0.452 1.472 8.079 1.00 71.54 H new ATOM 0 HD13 ILE A 102 -0.076 3.136 7.572 1.00 71.54 H new ATOM 1302 N THR A 103 0.317 -1.240 8.074 1.00 70.30 N ATOM 1303 CA THR A 103 -0.515 -2.398 7.818 1.00 51.52 C ATOM 1304 C THR A 103 -1.799 -1.992 7.050 1.00 13.12 C ATOM 1305 O THR A 103 -2.600 -1.173 7.539 1.00 32.42 O ATOM 1306 CB THR A 103 -0.905 -3.088 9.147 1.00 24.21 C ATOM 1307 OG1 THR A 103 0.283 -3.460 9.865 1.00 55.31 O ATOM 1308 CG2 THR A 103 -1.728 -4.333 8.886 1.00 54.11 C ATOM 0 H THR A 103 -0.003 -0.672 8.859 1.00 70.30 H new ATOM 0 HA THR A 103 0.058 -3.095 7.206 1.00 51.52 H new ATOM 0 HB THR A 103 -1.497 -2.386 9.735 1.00 24.21 H new ATOM 0 HG1 THR A 103 0.034 -3.895 10.707 1.00 55.31 H new ATOM 0 HG21 THR A 103 -1.990 -4.801 9.835 1.00 54.11 H new ATOM 0 HG22 THR A 103 -2.638 -4.062 8.351 1.00 54.11 H new ATOM 0 HG23 THR A 103 -1.148 -5.033 8.284 1.00 54.11 H new ATOM 1316 N PHE A 104 -1.978 -2.576 5.879 1.00 54.44 N ATOM 1317 CA PHE A 104 -3.113 -2.318 5.000 1.00 32.14 C ATOM 1318 C PHE A 104 -4.108 -3.469 5.086 1.00 43.35 C ATOM 1319 O PHE A 104 -3.718 -4.638 4.984 1.00 44.20 O ATOM 1320 CB PHE A 104 -2.640 -2.269 3.526 1.00 14.11 C ATOM 1321 CG PHE A 104 -1.632 -1.217 3.173 1.00 62.40 C ATOM 1322 CD1 PHE A 104 -0.280 -1.470 3.286 1.00 62.32 C ATOM 1323 CD2 PHE A 104 -2.036 0.011 2.695 1.00 75.45 C ATOM 1324 CE1 PHE A 104 0.643 -0.514 2.940 1.00 2.02 C ATOM 1325 CE2 PHE A 104 -1.114 0.968 2.343 1.00 71.52 C ATOM 1326 CZ PHE A 104 0.226 0.707 2.465 1.00 34.21 C ATOM 0 H PHE A 104 -1.324 -3.261 5.500 1.00 54.44 H new ATOM 0 HA PHE A 104 -3.564 -1.374 5.307 1.00 32.14 H new ATOM 0 HB2 PHE A 104 -2.219 -3.242 3.272 1.00 14.11 H new ATOM 0 HB3 PHE A 104 -3.516 -2.126 2.893 1.00 14.11 H new ATOM 0 HD1 PHE A 104 0.056 -2.430 3.650 1.00 62.32 H new ATOM 0 HD2 PHE A 104 -3.090 0.224 2.596 1.00 75.45 H new ATOM 0 HE1 PHE A 104 1.698 -0.722 3.041 1.00 2.02 H new ATOM 0 HE2 PHE A 104 -1.446 1.926 1.970 1.00 71.52 H new ATOM 0 HZ PHE A 104 0.952 1.458 2.189 1.00 34.21 H new ATOM 1336 N ARG A 105 -5.367 -3.161 5.281 1.00 31.21 N ATOM 1337 CA ARG A 105 -6.401 -4.168 5.177 1.00 40.34 C ATOM 1338 C ARG A 105 -7.194 -3.885 3.925 1.00 45.31 C ATOM 1339 O ARG A 105 -7.720 -2.788 3.771 1.00 63.43 O ATOM 1340 CB ARG A 105 -7.377 -4.143 6.374 1.00 4.44 C ATOM 1341 CG ARG A 105 -8.497 -5.182 6.224 1.00 75.10 C ATOM 1342 CD ARG A 105 -9.619 -5.038 7.247 1.00 11.15 C ATOM 1343 NE ARG A 105 -9.192 -5.241 8.630 1.00 52.01 N ATOM 1344 CZ ARG A 105 -9.909 -5.887 9.563 1.00 31.34 C ATOM 1345 NH1 ARG A 105 -11.056 -6.508 9.246 1.00 34.43 N ATOM 1346 NH2 ARG A 105 -9.462 -5.922 10.801 1.00 43.12 N ATOM 0 H ARG A 105 -5.702 -2.226 5.512 1.00 31.21 H new ATOM 0 HA ARG A 105 -5.920 -5.146 5.159 1.00 40.34 H new ATOM 0 HB2 ARG A 105 -6.826 -4.334 7.295 1.00 4.44 H new ATOM 0 HB3 ARG A 105 -7.814 -3.149 6.465 1.00 4.44 H new ATOM 0 HG2 ARG A 105 -8.920 -5.103 5.223 1.00 75.10 H new ATOM 0 HG3 ARG A 105 -8.067 -6.180 6.310 1.00 75.10 H new ATOM 0 HD2 ARG A 105 -10.056 -4.044 7.155 1.00 11.15 H new ATOM 0 HD3 ARG A 105 -10.406 -5.755 7.011 1.00 11.15 H new ATOM 0 HE ARG A 105 -8.285 -4.865 8.906 1.00 52.01 H new ATOM 0 HH11 ARG A 105 -11.395 -6.494 8.284 1.00 34.43 H new ATOM 0 HH12 ARG A 105 -11.589 -6.994 9.967 1.00 34.43 H new ATOM 0 HH21 ARG A 105 -8.583 -5.462 11.039 1.00 43.12 H new ATOM 0 HH22 ARG A 105 -9.995 -6.409 11.522 1.00 43.12 H new ATOM 1360 N VAL A 106 -7.274 -4.834 3.028 1.00 63.14 N ATOM 1361 CA VAL A 106 -8.078 -4.641 1.850 1.00 54.22 C ATOM 1362 C VAL A 106 -9.523 -4.875 2.238 1.00 45.25 C ATOM 1363 O VAL A 106 -9.861 -5.926 2.776 1.00 51.44 O ATOM 1364 CB VAL A 106 -7.657 -5.585 0.703 1.00 22.14 C ATOM 1365 CG1 VAL A 106 -8.532 -5.372 -0.520 1.00 21.22 C ATOM 1366 CG2 VAL A 106 -6.198 -5.353 0.353 1.00 41.23 C ATOM 0 H VAL A 106 -6.800 -5.735 3.089 1.00 63.14 H new ATOM 0 HA VAL A 106 -7.939 -3.627 1.476 1.00 54.22 H new ATOM 0 HB VAL A 106 -7.785 -6.615 1.037 1.00 22.14 H new ATOM 0 HG11 VAL A 106 -8.217 -6.048 -1.315 1.00 21.22 H new ATOM 0 HG12 VAL A 106 -9.572 -5.574 -0.263 1.00 21.22 H new ATOM 0 HG13 VAL A 106 -8.436 -4.341 -0.861 1.00 21.22 H new ATOM 0 HG21 VAL A 106 -5.907 -6.022 -0.457 1.00 41.23 H new ATOM 0 HG22 VAL A 106 -6.060 -4.319 0.037 1.00 41.23 H new ATOM 0 HG23 VAL A 106 -5.578 -5.551 1.227 1.00 41.23 H new ATOM 1376 N ILE A 107 -10.357 -3.900 1.997 1.00 4.44 N ATOM 1377 CA ILE A 107 -11.736 -3.975 2.446 1.00 21.01 C ATOM 1378 C ILE A 107 -12.701 -4.220 1.313 1.00 73.01 C ATOM 1379 O ILE A 107 -13.760 -4.803 1.508 1.00 3.12 O ATOM 1380 CB ILE A 107 -12.191 -2.693 3.236 1.00 74.23 C ATOM 1381 CG1 ILE A 107 -12.354 -1.424 2.338 1.00 42.20 C ATOM 1382 CG2 ILE A 107 -11.210 -2.395 4.340 1.00 25.11 C ATOM 1383 CD1 ILE A 107 -11.089 -0.897 1.688 1.00 44.21 C ATOM 0 H ILE A 107 -10.115 -3.045 1.496 1.00 4.44 H new ATOM 0 HA ILE A 107 -11.761 -4.829 3.123 1.00 21.01 H new ATOM 0 HB ILE A 107 -13.176 -2.922 3.641 1.00 74.23 H new ATOM 0 HG12 ILE A 107 -13.074 -1.651 1.552 1.00 42.20 H new ATOM 0 HG13 ILE A 107 -12.785 -0.628 2.945 1.00 42.20 H new ATOM 0 HG21 ILE A 107 -11.532 -1.506 4.882 1.00 25.11 H new ATOM 0 HG22 ILE A 107 -11.165 -3.242 5.025 1.00 25.11 H new ATOM 0 HG23 ILE A 107 -10.223 -2.221 3.912 1.00 25.11 H new ATOM 0 HD11 ILE A 107 -11.326 -0.017 1.091 1.00 44.21 H new ATOM 0 HD12 ILE A 107 -10.368 -0.628 2.460 1.00 44.21 H new ATOM 0 HD13 ILE A 107 -10.662 -1.667 1.045 1.00 44.21 H new ATOM 1395 N GLU A 108 -12.335 -3.806 0.138 1.00 61.24 N ATOM 1396 CA GLU A 108 -13.236 -3.854 -0.974 1.00 30.24 C ATOM 1397 C GLU A 108 -12.481 -4.319 -2.193 1.00 3.22 C ATOM 1398 O GLU A 108 -11.248 -4.403 -2.170 1.00 21.44 O ATOM 1399 CB GLU A 108 -13.774 -2.429 -1.223 1.00 54.23 C ATOM 1400 CG GLU A 108 -14.900 -2.331 -2.245 1.00 43.15 C ATOM 1401 CD GLU A 108 -15.311 -0.917 -2.531 1.00 50.22 C ATOM 1402 OE1 GLU A 108 -16.102 -0.345 -1.749 1.00 3.33 O ATOM 1403 OE2 GLU A 108 -14.853 -0.351 -3.546 1.00 4.44 O ATOM 0 H GLU A 108 -11.412 -3.429 -0.077 1.00 61.24 H new ATOM 0 HA GLU A 108 -14.060 -4.538 -0.770 1.00 30.24 H new ATOM 0 HB2 GLU A 108 -14.127 -2.021 -0.276 1.00 54.23 H new ATOM 0 HB3 GLU A 108 -12.949 -1.799 -1.554 1.00 54.23 H new ATOM 0 HG2 GLU A 108 -14.583 -2.806 -3.173 1.00 43.15 H new ATOM 0 HG3 GLU A 108 -15.763 -2.888 -1.881 1.00 43.15 H new ATOM 1410 N GLY A 109 -13.197 -4.637 -3.220 1.00 60.14 N ATOM 1411 CA GLY A 109 -12.599 -4.928 -4.448 1.00 32.44 C ATOM 1412 C GLY A 109 -12.554 -6.369 -4.778 1.00 51.14 C ATOM 1413 O GLY A 109 -12.992 -7.236 -4.010 1.00 71.32 O ATOM 0 H GLY A 109 -14.215 -4.698 -3.215 1.00 60.14 H new ATOM 0 HA2 GLY A 109 -13.140 -4.404 -5.236 1.00 32.44 H new ATOM 0 HA3 GLY A 109 -11.582 -4.536 -4.445 1.00 32.44 H new ATOM 1417 N ASP A 110 -11.980 -6.599 -5.908 1.00 72.05 N ATOM 1418 CA ASP A 110 -11.768 -7.884 -6.524 1.00 24.43 C ATOM 1419 C ASP A 110 -10.974 -8.826 -5.627 1.00 52.13 C ATOM 1420 O ASP A 110 -11.171 -10.032 -5.656 1.00 13.14 O ATOM 1421 CB ASP A 110 -11.021 -7.636 -7.842 1.00 64.32 C ATOM 1422 CG ASP A 110 -9.756 -6.792 -7.644 1.00 13.30 C ATOM 1423 OD1 ASP A 110 -9.874 -5.579 -7.287 1.00 43.14 O ATOM 1424 OD2 ASP A 110 -8.652 -7.297 -7.852 1.00 24.43 O ATOM 0 H ASP A 110 -11.613 -5.838 -6.480 1.00 72.05 H new ATOM 0 HA ASP A 110 -12.728 -8.370 -6.700 1.00 24.43 H new ATOM 0 HB2 ASP A 110 -10.751 -8.592 -8.289 1.00 64.32 H new ATOM 0 HB3 ASP A 110 -11.685 -7.132 -8.544 1.00 64.32 H new ATOM 1429 N LEU A 111 -10.114 -8.268 -4.807 1.00 1.11 N ATOM 1430 CA LEU A 111 -9.280 -9.055 -3.916 1.00 20.34 C ATOM 1431 C LEU A 111 -10.115 -9.766 -2.841 1.00 21.15 C ATOM 1432 O LEU A 111 -9.765 -10.850 -2.396 1.00 14.21 O ATOM 1433 CB LEU A 111 -8.210 -8.168 -3.279 1.00 32.45 C ATOM 1434 CG LEU A 111 -7.238 -7.485 -4.256 1.00 74.21 C ATOM 1435 CD1 LEU A 111 -6.271 -6.580 -3.514 1.00 73.32 C ATOM 1436 CD2 LEU A 111 -6.473 -8.519 -5.075 1.00 41.44 C ATOM 0 H LEU A 111 -9.970 -7.261 -4.735 1.00 1.11 H new ATOM 0 HA LEU A 111 -8.789 -9.829 -4.506 1.00 20.34 H new ATOM 0 HB2 LEU A 111 -8.707 -7.396 -2.692 1.00 32.45 H new ATOM 0 HB3 LEU A 111 -7.630 -8.774 -2.583 1.00 32.45 H new ATOM 0 HG LEU A 111 -7.828 -6.873 -4.939 1.00 74.21 H new ATOM 0 HD11 LEU A 111 -5.594 -6.109 -4.227 1.00 73.32 H new ATOM 0 HD12 LEU A 111 -6.829 -5.811 -2.980 1.00 73.32 H new ATOM 0 HD13 LEU A 111 -5.694 -7.170 -2.802 1.00 73.32 H new ATOM 0 HD21 LEU A 111 -5.792 -8.011 -5.758 1.00 41.44 H new ATOM 0 HD22 LEU A 111 -5.902 -9.163 -4.406 1.00 41.44 H new ATOM 0 HD23 LEU A 111 -7.177 -9.123 -5.647 1.00 41.44 H new ATOM 1448 N MET A 112 -11.241 -9.174 -2.471 1.00 75.24 N ATOM 1449 CA MET A 112 -12.101 -9.754 -1.437 1.00 62.42 C ATOM 1450 C MET A 112 -12.997 -10.857 -1.982 1.00 13.11 C ATOM 1451 O MET A 112 -13.627 -11.591 -1.217 1.00 12.32 O ATOM 1452 CB MET A 112 -12.929 -8.691 -0.714 1.00 41.10 C ATOM 1453 CG MET A 112 -12.169 -7.735 0.230 1.00 15.05 C ATOM 1454 SD MET A 112 -11.709 -8.429 1.877 1.00 22.14 S ATOM 1455 CE MET A 112 -10.487 -9.694 1.517 1.00 65.21 C ATOM 0 H MET A 112 -11.583 -8.298 -2.865 1.00 75.24 H new ATOM 0 HA MET A 112 -11.430 -10.207 -0.707 1.00 62.42 H new ATOM 0 HB2 MET A 112 -13.440 -8.090 -1.466 1.00 41.10 H new ATOM 0 HB3 MET A 112 -13.700 -9.198 -0.134 1.00 41.10 H new ATOM 0 HG2 MET A 112 -11.259 -7.407 -0.272 1.00 15.05 H new ATOM 0 HG3 MET A 112 -12.783 -6.848 0.389 1.00 15.05 H new ATOM 0 HE1 MET A 112 -9.662 -9.615 2.225 1.00 65.21 H new ATOM 0 HE2 MET A 112 -10.946 -10.679 1.604 1.00 65.21 H new ATOM 0 HE3 MET A 112 -10.110 -9.558 0.503 1.00 65.21 H new ATOM 1465 N LYS A 113 -13.070 -10.978 -3.296 1.00 43.52 N ATOM 1466 CA LYS A 113 -13.848 -12.042 -3.872 1.00 23.13 C ATOM 1467 C LYS A 113 -12.956 -13.200 -4.301 1.00 22.40 C ATOM 1468 O LYS A 113 -13.424 -14.240 -4.762 1.00 44.04 O ATOM 1469 CB LYS A 113 -14.815 -11.535 -4.963 1.00 73.35 C ATOM 1470 CG LYS A 113 -14.206 -10.874 -6.167 1.00 42.10 C ATOM 1471 CD LYS A 113 -13.583 -11.876 -7.113 1.00 10.53 C ATOM 1472 CE LYS A 113 -12.946 -11.212 -8.304 1.00 1.11 C ATOM 1473 NZ LYS A 113 -12.375 -12.211 -9.222 1.00 63.11 N ATOM 0 H LYS A 113 -12.608 -10.363 -3.966 1.00 43.52 H new ATOM 0 HA LYS A 113 -14.504 -12.446 -3.101 1.00 23.13 H new ATOM 0 HB2 LYS A 113 -15.410 -12.381 -5.307 1.00 73.35 H new ATOM 0 HB3 LYS A 113 -15.504 -10.828 -4.502 1.00 73.35 H new ATOM 0 HG2 LYS A 113 -14.972 -10.306 -6.695 1.00 42.10 H new ATOM 0 HG3 LYS A 113 -13.447 -10.161 -5.844 1.00 42.10 H new ATOM 0 HD2 LYS A 113 -12.832 -12.459 -6.579 1.00 10.53 H new ATOM 0 HD3 LYS A 113 -14.347 -12.575 -7.454 1.00 10.53 H new ATOM 0 HE2 LYS A 113 -13.688 -10.612 -8.830 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -12.164 -10.531 -7.970 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -11.525 -11.819 -9.676 1.00 63.11 H new ATOM 0 HZ2 LYS A 113 -12.119 -13.066 -8.689 1.00 63.11 H new ATOM 0 HZ3 LYS A 113 -13.076 -12.454 -9.950 1.00 63.11 H new ATOM 1487 N GLU A 114 -11.668 -13.001 -4.132 1.00 72.13 N ATOM 1488 CA GLU A 114 -10.678 -14.041 -4.373 1.00 32.12 C ATOM 1489 C GLU A 114 -10.260 -14.612 -3.016 1.00 61.20 C ATOM 1490 O GLU A 114 -10.149 -15.829 -2.822 1.00 54.33 O ATOM 1491 CB GLU A 114 -9.431 -13.451 -5.051 1.00 31.22 C ATOM 1492 CG GLU A 114 -9.653 -12.789 -6.400 1.00 2.34 C ATOM 1493 CD GLU A 114 -10.049 -13.744 -7.498 1.00 64.13 C ATOM 1494 OE1 GLU A 114 -11.255 -14.056 -7.647 1.00 14.33 O ATOM 1495 OE2 GLU A 114 -9.170 -14.152 -8.276 1.00 24.34 O ATOM 0 H GLU A 114 -11.271 -12.114 -3.823 1.00 72.13 H new ATOM 0 HA GLU A 114 -11.106 -14.808 -5.019 1.00 32.12 H new ATOM 0 HB2 GLU A 114 -8.989 -12.717 -4.377 1.00 31.22 H new ATOM 0 HB3 GLU A 114 -8.699 -14.249 -5.177 1.00 31.22 H new ATOM 0 HG2 GLU A 114 -10.428 -12.030 -6.297 1.00 2.34 H new ATOM 0 HG3 GLU A 114 -8.739 -12.273 -6.694 1.00 2.34 H new ATOM 1502 N TYR A 115 -10.039 -13.707 -2.077 1.00 74.31 N ATOM 1503 CA TYR A 115 -9.607 -14.041 -0.747 1.00 74.20 C ATOM 1504 C TYR A 115 -10.656 -13.529 0.209 1.00 72.50 C ATOM 1505 O TYR A 115 -11.158 -12.438 0.034 1.00 35.14 O ATOM 1506 CB TYR A 115 -8.268 -13.334 -0.443 1.00 2.22 C ATOM 1507 CG TYR A 115 -7.229 -13.517 -1.523 1.00 73.24 C ATOM 1508 CD1 TYR A 115 -6.380 -14.607 -1.539 1.00 53.21 C ATOM 1509 CD2 TYR A 115 -7.128 -12.595 -2.555 1.00 21.24 C ATOM 1510 CE1 TYR A 115 -5.458 -14.763 -2.550 1.00 32.51 C ATOM 1511 CE2 TYR A 115 -6.224 -12.752 -3.563 1.00 43.30 C ATOM 1512 CZ TYR A 115 -5.393 -13.835 -3.559 1.00 0.21 C ATOM 1513 OH TYR A 115 -4.503 -13.999 -4.572 1.00 30.51 O ATOM 0 H TYR A 115 -10.159 -12.706 -2.229 1.00 74.31 H new ATOM 0 HA TYR A 115 -9.472 -15.118 -0.648 1.00 74.20 H new ATOM 0 HB2 TYR A 115 -8.452 -12.269 -0.305 1.00 2.22 H new ATOM 0 HB3 TYR A 115 -7.872 -13.714 0.499 1.00 2.22 H new ATOM 0 HD1 TYR A 115 -6.440 -15.343 -0.751 1.00 53.21 H new ATOM 0 HD2 TYR A 115 -7.780 -11.734 -2.560 1.00 21.24 H new ATOM 0 HE1 TYR A 115 -4.790 -15.611 -2.549 1.00 32.51 H new ATOM 0 HE2 TYR A 115 -6.166 -12.025 -4.359 1.00 43.30 H new ATOM 0 HH TYR A 115 -4.586 -13.255 -5.204 1.00 30.51 H new ATOM 1523 N LYS A 116 -10.971 -14.289 1.221 1.00 23.24 N ATOM 1524 CA LYS A 116 -11.989 -13.882 2.180 1.00 4.35 C ATOM 1525 C LYS A 116 -11.412 -13.028 3.297 1.00 40.11 C ATOM 1526 O LYS A 116 -12.119 -12.601 4.209 1.00 72.20 O ATOM 1527 CB LYS A 116 -12.823 -15.082 2.669 1.00 74.22 C ATOM 1528 CG LYS A 116 -12.024 -16.303 3.114 1.00 62.42 C ATOM 1529 CD LYS A 116 -12.941 -17.522 3.332 1.00 21.12 C ATOM 1530 CE LYS A 116 -13.969 -17.301 4.436 1.00 11.11 C ATOM 1531 NZ LYS A 116 -13.354 -17.212 5.768 1.00 74.44 N ATOM 0 H LYS A 116 -10.544 -15.195 1.413 1.00 23.24 H new ATOM 0 HA LYS A 116 -12.694 -13.231 1.663 1.00 4.35 H new ATOM 0 HB2 LYS A 116 -13.445 -14.754 3.502 1.00 74.22 H new ATOM 0 HB3 LYS A 116 -13.497 -15.384 1.867 1.00 74.22 H new ATOM 0 HG2 LYS A 116 -11.271 -16.541 2.363 1.00 62.42 H new ATOM 0 HG3 LYS A 116 -11.492 -16.075 4.038 1.00 62.42 H new ATOM 0 HD2 LYS A 116 -13.459 -17.752 2.401 1.00 21.12 H new ATOM 0 HD3 LYS A 116 -12.330 -18.390 3.580 1.00 21.12 H new ATOM 0 HE2 LYS A 116 -14.524 -16.385 4.233 1.00 11.11 H new ATOM 0 HE3 LYS A 116 -14.690 -18.119 4.426 1.00 11.11 H new ATOM 0 HZ1 LYS A 116 -14.080 -16.961 6.469 1.00 74.44 H new ATOM 0 HZ2 LYS A 116 -12.933 -18.130 6.018 1.00 74.44 H new ATOM 0 HZ3 LYS A 116 -12.613 -16.482 5.760 1.00 74.44 H new ATOM 1545 N SER A 117 -10.139 -12.755 3.179 1.00 11.44 N ATOM 1546 CA SER A 117 -9.421 -11.876 4.051 1.00 12.33 C ATOM 1547 C SER A 117 -8.050 -11.639 3.456 1.00 11.35 C ATOM 1548 O SER A 117 -7.469 -12.550 2.858 1.00 64.12 O ATOM 1549 CB SER A 117 -9.320 -12.464 5.446 1.00 23.13 C ATOM 1550 OG SER A 117 -8.646 -11.587 6.344 1.00 13.32 O ATOM 0 H SER A 117 -9.556 -13.156 2.444 1.00 11.44 H new ATOM 0 HA SER A 117 -9.950 -10.927 4.144 1.00 12.33 H new ATOM 0 HB2 SER A 117 -10.320 -12.673 5.825 1.00 23.13 H new ATOM 0 HB3 SER A 117 -8.790 -13.416 5.402 1.00 23.13 H new ATOM 0 HG SER A 117 -8.602 -11.999 7.232 1.00 13.32 H new ATOM 1556 N PHE A 118 -7.570 -10.425 3.566 1.00 51.14 N ATOM 1557 CA PHE A 118 -6.277 -10.041 3.050 1.00 12.42 C ATOM 1558 C PHE A 118 -5.769 -8.819 3.804 1.00 52.40 C ATOM 1559 O PHE A 118 -6.393 -7.741 3.784 1.00 51.55 O ATOM 1560 CB PHE A 118 -6.345 -9.799 1.519 1.00 40.51 C ATOM 1561 CG PHE A 118 -5.048 -9.358 0.863 1.00 43.31 C ATOM 1562 CD1 PHE A 118 -3.811 -9.757 1.360 1.00 32.34 C ATOM 1563 CD2 PHE A 118 -5.076 -8.559 -0.264 1.00 4.53 C ATOM 1564 CE1 PHE A 118 -2.644 -9.358 0.747 1.00 40.23 C ATOM 1565 CE2 PHE A 118 -3.906 -8.158 -0.880 1.00 50.15 C ATOM 1566 CZ PHE A 118 -2.691 -8.557 -0.375 1.00 0.21 C ATOM 0 H PHE A 118 -8.073 -9.664 4.023 1.00 51.14 H new ATOM 0 HA PHE A 118 -5.567 -10.853 3.208 1.00 12.42 H new ATOM 0 HB2 PHE A 118 -6.679 -10.719 1.039 1.00 40.51 H new ATOM 0 HB3 PHE A 118 -7.105 -9.043 1.323 1.00 40.51 H new ATOM 0 HD1 PHE A 118 -3.766 -10.387 2.236 1.00 32.34 H new ATOM 0 HD2 PHE A 118 -6.026 -8.243 -0.669 1.00 4.53 H new ATOM 0 HE1 PHE A 118 -1.691 -9.673 1.145 1.00 40.23 H new ATOM 0 HE2 PHE A 118 -3.946 -7.531 -1.758 1.00 50.15 H new ATOM 0 HZ PHE A 118 -1.776 -8.244 -0.856 1.00 0.21 H new ATOM 1576 N LEU A 119 -4.667 -9.007 4.481 1.00 61.02 N ATOM 1577 CA LEU A 119 -4.039 -7.999 5.286 1.00 75.22 C ATOM 1578 C LEU A 119 -2.547 -7.994 4.942 1.00 23.14 C ATOM 1579 O LEU A 119 -1.902 -9.045 4.946 1.00 64.03 O ATOM 1580 CB LEU A 119 -4.224 -8.387 6.764 1.00 12.35 C ATOM 1581 CG LEU A 119 -3.734 -7.396 7.817 1.00 23.44 C ATOM 1582 CD1 LEU A 119 -4.561 -6.126 7.779 1.00 75.35 C ATOM 1583 CD2 LEU A 119 -3.776 -8.023 9.202 1.00 1.50 C ATOM 0 H LEU A 119 -4.167 -9.896 4.486 1.00 61.02 H new ATOM 0 HA LEU A 119 -4.470 -7.014 5.105 1.00 75.22 H new ATOM 0 HB2 LEU A 119 -5.286 -8.563 6.936 1.00 12.35 H new ATOM 0 HB3 LEU A 119 -3.713 -9.335 6.930 1.00 12.35 H new ATOM 0 HG LEU A 119 -2.700 -7.137 7.590 1.00 23.44 H new ATOM 0 HD11 LEU A 119 -4.197 -5.432 8.536 1.00 75.35 H new ATOM 0 HD12 LEU A 119 -4.476 -5.666 6.795 1.00 75.35 H new ATOM 0 HD13 LEU A 119 -5.605 -6.366 7.979 1.00 75.35 H new ATOM 0 HD21 LEU A 119 -3.423 -7.301 9.939 1.00 1.50 H new ATOM 0 HD22 LEU A 119 -4.800 -8.313 9.439 1.00 1.50 H new ATOM 0 HD23 LEU A 119 -3.135 -8.905 9.222 1.00 1.50 H new ATOM 1595 N LEU A 120 -2.000 -6.855 4.645 1.00 23.55 N ATOM 1596 CA LEU A 120 -0.601 -6.792 4.280 1.00 61.43 C ATOM 1597 C LEU A 120 0.108 -5.675 5.000 1.00 21.20 C ATOM 1598 O LEU A 120 -0.372 -4.556 5.053 1.00 70.23 O ATOM 1599 CB LEU A 120 -0.363 -6.716 2.739 1.00 75.00 C ATOM 1600 CG LEU A 120 -0.935 -5.508 1.954 1.00 73.34 C ATOM 1601 CD1 LEU A 120 -0.403 -5.530 0.536 1.00 1.32 C ATOM 1602 CD2 LEU A 120 -2.461 -5.535 1.908 1.00 70.23 C ATOM 0 H LEU A 120 -2.488 -5.959 4.645 1.00 23.55 H new ATOM 0 HA LEU A 120 -0.166 -7.737 4.605 1.00 61.43 H new ATOM 0 HB2 LEU A 120 0.714 -6.740 2.570 1.00 75.00 H new ATOM 0 HB3 LEU A 120 -0.775 -7.623 2.296 1.00 75.00 H new ATOM 0 HG LEU A 120 -0.623 -4.599 2.469 1.00 73.34 H new ATOM 0 HD11 LEU A 120 -0.805 -4.681 -0.017 1.00 1.32 H new ATOM 0 HD12 LEU A 120 0.685 -5.469 0.555 1.00 1.32 H new ATOM 0 HD13 LEU A 120 -0.706 -6.456 0.048 1.00 1.32 H new ATOM 0 HD21 LEU A 120 -2.823 -4.672 1.349 1.00 70.23 H new ATOM 0 HD22 LEU A 120 -2.794 -6.450 1.419 1.00 70.23 H new ATOM 0 HD23 LEU A 120 -2.856 -5.502 2.923 1.00 70.23 H new ATOM 1614 N THR A 121 1.230 -5.988 5.559 1.00 14.11 N ATOM 1615 CA THR A 121 2.001 -5.034 6.293 1.00 3.43 C ATOM 1616 C THR A 121 3.333 -4.810 5.607 1.00 30.33 C ATOM 1617 O THR A 121 4.009 -5.768 5.234 1.00 42.14 O ATOM 1618 CB THR A 121 2.255 -5.537 7.719 1.00 54.54 C ATOM 1619 OG1 THR A 121 1.005 -5.836 8.359 1.00 71.01 O ATOM 1620 CG2 THR A 121 2.986 -4.492 8.527 1.00 35.04 C ATOM 0 H THR A 121 1.643 -6.920 5.520 1.00 14.11 H new ATOM 0 HA THR A 121 1.443 -4.099 6.333 1.00 3.43 H new ATOM 0 HB THR A 121 2.867 -6.437 7.663 1.00 54.54 H new ATOM 0 HG1 THR A 121 0.777 -5.117 8.984 1.00 71.01 H new ATOM 0 HG21 THR A 121 3.157 -4.867 9.536 1.00 35.04 H new ATOM 0 HG22 THR A 121 3.943 -4.271 8.055 1.00 35.04 H new ATOM 0 HG23 THR A 121 2.386 -3.583 8.574 1.00 35.04 H new ATOM 1628 N ILE A 122 3.704 -3.570 5.424 1.00 64.10 N ATOM 1629 CA ILE A 122 4.980 -3.261 4.838 1.00 3.10 C ATOM 1630 C ILE A 122 5.772 -2.391 5.775 1.00 3.21 C ATOM 1631 O ILE A 122 5.200 -1.624 6.570 1.00 5.52 O ATOM 1632 CB ILE A 122 4.863 -2.558 3.462 1.00 62.33 C ATOM 1633 CG1 ILE A 122 4.221 -1.195 3.586 1.00 60.01 C ATOM 1634 CG2 ILE A 122 4.057 -3.407 2.521 1.00 21.35 C ATOM 1635 CD1 ILE A 122 4.152 -0.419 2.277 1.00 12.02 C ATOM 0 H ILE A 122 3.140 -2.758 5.673 1.00 64.10 H new ATOM 0 HA ILE A 122 5.488 -4.211 4.672 1.00 3.10 H new ATOM 0 HB ILE A 122 5.872 -2.424 3.071 1.00 62.33 H new ATOM 0 HG12 ILE A 122 3.211 -1.315 3.978 1.00 60.01 H new ATOM 0 HG13 ILE A 122 4.779 -0.607 4.315 1.00 60.01 H new ATOM 0 HG21 ILE A 122 3.979 -2.907 1.556 1.00 21.35 H new ATOM 0 HG22 ILE A 122 4.547 -4.372 2.391 1.00 21.35 H new ATOM 0 HG23 ILE A 122 3.059 -3.559 2.932 1.00 21.35 H new ATOM 0 HD11 ILE A 122 3.678 0.547 2.451 1.00 12.02 H new ATOM 0 HD12 ILE A 122 5.160 -0.265 1.892 1.00 12.02 H new ATOM 0 HD13 ILE A 122 3.568 -0.983 1.550 1.00 12.02 H new ATOM 1647 N GLN A 123 7.059 -2.529 5.722 1.00 51.13 N ATOM 1648 CA GLN A 123 7.925 -1.709 6.503 1.00 75.33 C ATOM 1649 C GLN A 123 9.173 -1.424 5.710 1.00 21.50 C ATOM 1650 O GLN A 123 9.739 -2.329 5.075 1.00 74.52 O ATOM 1651 CB GLN A 123 8.258 -2.370 7.849 1.00 50.32 C ATOM 1652 CG GLN A 123 9.042 -1.468 8.796 1.00 43.35 C ATOM 1653 CD GLN A 123 9.241 -2.069 10.171 1.00 12.55 C ATOM 1654 OE1 GLN A 123 9.331 -3.280 10.333 1.00 35.32 O ATOM 1655 NE2 GLN A 123 9.309 -1.229 11.171 1.00 4.34 N ATOM 0 H GLN A 123 7.537 -3.213 5.136 1.00 51.13 H new ATOM 0 HA GLN A 123 7.421 -0.770 6.731 1.00 75.33 H new ATOM 0 HB2 GLN A 123 7.330 -2.673 8.334 1.00 50.32 H new ATOM 0 HB3 GLN A 123 8.833 -3.278 7.666 1.00 50.32 H new ATOM 0 HG2 GLN A 123 10.016 -1.252 8.357 1.00 43.35 H new ATOM 0 HG3 GLN A 123 8.520 -0.517 8.896 1.00 43.35 H new ATOM 0 HE21 GLN A 123 9.230 -0.226 11.001 1.00 4.34 H new ATOM 0 HE22 GLN A 123 9.441 -1.576 12.121 1.00 4.34 H new ATOM 1664 N VAL A 124 9.592 -0.193 5.719 1.00 71.44 N ATOM 1665 CA VAL A 124 10.771 0.205 4.997 1.00 24.32 C ATOM 1666 C VAL A 124 11.944 0.166 5.940 1.00 62.14 C ATOM 1667 O VAL A 124 11.904 0.750 7.018 1.00 64.42 O ATOM 1668 CB VAL A 124 10.618 1.619 4.382 1.00 15.11 C ATOM 1669 CG1 VAL A 124 11.873 2.028 3.630 1.00 75.02 C ATOM 1670 CG2 VAL A 124 9.417 1.657 3.450 1.00 42.31 C ATOM 0 H VAL A 124 9.130 0.563 6.224 1.00 71.44 H new ATOM 0 HA VAL A 124 10.929 -0.486 4.169 1.00 24.32 H new ATOM 0 HB VAL A 124 10.463 2.327 5.196 1.00 15.11 H new ATOM 0 HG11 VAL A 124 11.737 3.024 3.209 1.00 75.02 H new ATOM 0 HG12 VAL A 124 12.721 2.036 4.315 1.00 75.02 H new ATOM 0 HG13 VAL A 124 12.063 1.317 2.826 1.00 75.02 H new ATOM 0 HG21 VAL A 124 9.319 2.655 3.023 1.00 42.31 H new ATOM 0 HG22 VAL A 124 9.556 0.932 2.648 1.00 42.31 H new ATOM 0 HG23 VAL A 124 8.514 1.411 4.009 1.00 42.31 H new ATOM 1680 N THR A 125 12.956 -0.538 5.553 1.00 31.04 N ATOM 1681 CA THR A 125 14.097 -0.765 6.380 1.00 51.44 C ATOM 1682 C THR A 125 15.372 -0.530 5.558 1.00 75.10 C ATOM 1683 O THR A 125 15.384 -0.806 4.348 1.00 24.12 O ATOM 1684 CB THR A 125 14.043 -2.241 6.866 1.00 52.33 C ATOM 1685 OG1 THR A 125 12.768 -2.471 7.488 1.00 40.44 O ATOM 1686 CG2 THR A 125 15.146 -2.560 7.866 1.00 22.14 C ATOM 0 H THR A 125 13.015 -0.980 4.636 1.00 31.04 H new ATOM 0 HA THR A 125 14.101 -0.087 7.234 1.00 51.44 H new ATOM 0 HB THR A 125 14.186 -2.887 6.000 1.00 52.33 H new ATOM 0 HG1 THR A 125 12.718 -3.399 7.799 1.00 40.44 H new ATOM 0 HG21 THR A 125 15.066 -3.602 8.176 1.00 22.14 H new ATOM 0 HG22 THR A 125 16.118 -2.393 7.401 1.00 22.14 H new ATOM 0 HG23 THR A 125 15.045 -1.914 8.738 1.00 22.14 H new ATOM 1694 N PRO A 126 16.427 0.058 6.175 1.00 15.42 N ATOM 1695 CA PRO A 126 17.736 0.202 5.536 1.00 1.44 C ATOM 1696 C PRO A 126 18.168 -1.127 4.912 1.00 64.52 C ATOM 1697 O PRO A 126 18.226 -2.155 5.597 1.00 1.41 O ATOM 1698 CB PRO A 126 18.647 0.557 6.710 1.00 61.04 C ATOM 1699 CG PRO A 126 17.761 1.284 7.656 1.00 40.30 C ATOM 1700 CD PRO A 126 16.408 0.651 7.531 1.00 60.24 C ATOM 0 HA PRO A 126 17.752 0.940 4.734 1.00 1.44 H new ATOM 0 HB2 PRO A 126 19.071 -0.336 7.169 1.00 61.04 H new ATOM 0 HB3 PRO A 126 19.483 1.179 6.391 1.00 61.04 H new ATOM 0 HG2 PRO A 126 18.134 1.206 8.677 1.00 40.30 H new ATOM 0 HG3 PRO A 126 17.718 2.345 7.412 1.00 40.30 H new ATOM 0 HD2 PRO A 126 16.247 -0.107 8.298 1.00 60.24 H new ATOM 0 HD3 PRO A 126 15.610 1.386 7.636 1.00 60.24 H new ATOM 1708 N LYS A 127 18.425 -1.109 3.620 1.00 14.22 N ATOM 1709 CA LYS A 127 18.764 -2.322 2.888 1.00 74.10 C ATOM 1710 C LYS A 127 20.079 -2.932 3.363 1.00 25.30 C ATOM 1711 O LYS A 127 21.026 -2.207 3.675 1.00 54.11 O ATOM 1712 CB LYS A 127 18.818 -2.108 1.343 1.00 45.42 C ATOM 1713 CG LYS A 127 19.908 -1.207 0.808 1.00 42.43 C ATOM 1714 CD LYS A 127 19.651 0.220 1.131 1.00 21.33 C ATOM 1715 CE LYS A 127 20.782 1.092 0.599 1.00 70.53 C ATOM 1716 NZ LYS A 127 20.620 2.510 0.953 1.00 22.10 N ATOM 0 H LYS A 127 18.406 -0.264 3.048 1.00 14.22 H new ATOM 0 HA LYS A 127 17.953 -3.018 3.103 1.00 74.10 H new ATOM 0 HB2 LYS A 127 18.924 -3.084 0.870 1.00 45.42 H new ATOM 0 HB3 LYS A 127 17.858 -1.702 1.024 1.00 45.42 H new ATOM 0 HG2 LYS A 127 20.868 -1.508 1.229 1.00 42.43 H new ATOM 0 HG3 LYS A 127 19.982 -1.328 -0.273 1.00 42.43 H new ATOM 0 HD2 LYS A 127 18.703 0.534 0.694 1.00 21.33 H new ATOM 0 HD3 LYS A 127 19.562 0.346 2.210 1.00 21.33 H new ATOM 0 HE2 LYS A 127 21.731 0.729 0.994 1.00 70.53 H new ATOM 0 HE3 LYS A 127 20.830 0.996 -0.486 1.00 70.53 H new ATOM 0 HZ1 LYS A 127 21.407 3.060 0.552 1.00 22.10 H new ATOM 0 HZ2 LYS A 127 19.720 2.863 0.569 1.00 22.10 H new ATOM 0 HZ3 LYS A 127 20.619 2.611 1.988 1.00 22.10 H new ATOM 1772 N GLY A 132 18.790 2.601 -2.432 1.00 73.13 N ATOM 1773 CA GLY A 132 17.647 3.196 -1.745 1.00 73.14 C ATOM 1774 C GLY A 132 17.352 2.620 -0.378 1.00 71.45 C ATOM 1775 O GLY A 132 18.037 2.933 0.590 1.00 42.24 O ATOM 0 HA2 GLY A 132 17.822 4.267 -1.641 1.00 73.14 H new ATOM 0 HA3 GLY A 132 16.763 3.076 -2.372 1.00 73.14 H new ATOM 1779 N SER A 133 16.333 1.797 -0.299 1.00 34.32 N ATOM 1780 CA SER A 133 15.906 1.169 0.940 1.00 43.44 C ATOM 1781 C SER A 133 15.163 -0.113 0.592 1.00 74.04 C ATOM 1782 O SER A 133 14.638 -0.236 -0.522 1.00 44.40 O ATOM 1783 CB SER A 133 14.938 2.101 1.678 1.00 52.43 C ATOM 1784 OG SER A 133 15.487 3.394 1.853 1.00 23.15 O ATOM 0 H SER A 133 15.764 1.537 -1.105 1.00 34.32 H new ATOM 0 HA SER A 133 16.772 0.962 1.569 1.00 43.44 H new ATOM 0 HB2 SER A 133 14.006 2.174 1.118 1.00 52.43 H new ATOM 0 HB3 SER A 133 14.693 1.675 2.651 1.00 52.43 H new ATOM 0 HG SER A 133 15.300 3.939 1.060 1.00 23.15 H new ATOM 1790 N ILE A 134 15.101 -1.060 1.510 1.00 12.00 N ATOM 1791 CA ILE A 134 14.334 -2.246 1.244 1.00 33.54 C ATOM 1792 C ILE A 134 12.963 -2.126 1.896 1.00 50.42 C ATOM 1793 O ILE A 134 12.855 -1.734 3.062 1.00 11.13 O ATOM 1794 CB ILE A 134 15.003 -3.586 1.740 1.00 3.31 C ATOM 1795 CG1 ILE A 134 16.189 -3.969 0.894 1.00 62.25 C ATOM 1796 CG2 ILE A 134 14.009 -4.746 1.793 1.00 64.34 C ATOM 1797 CD1 ILE A 134 15.876 -4.222 -0.555 1.00 45.23 C ATOM 0 H ILE A 134 15.561 -1.028 2.420 1.00 12.00 H new ATOM 0 HA ILE A 134 14.267 -2.310 0.158 1.00 33.54 H new ATOM 0 HB ILE A 134 15.349 -3.388 2.755 1.00 3.31 H new ATOM 0 HG12 ILE A 134 16.934 -3.175 0.957 1.00 62.25 H new ATOM 0 HG13 ILE A 134 16.643 -4.866 1.315 1.00 62.25 H new ATOM 0 HG21 ILE A 134 14.518 -5.645 2.140 1.00 64.34 H new ATOM 0 HG22 ILE A 134 13.199 -4.500 2.479 1.00 64.34 H new ATOM 0 HG23 ILE A 134 13.601 -4.921 0.798 1.00 64.34 H new ATOM 0 HD11 ILE A 134 16.791 -4.491 -1.083 1.00 45.23 H new ATOM 0 HD12 ILE A 134 15.157 -5.038 -0.635 1.00 45.23 H new ATOM 0 HD13 ILE A 134 15.453 -3.321 -0.999 1.00 45.23 H new ATOM 1809 N VAL A 135 11.939 -2.447 1.177 1.00 74.31 N ATOM 1810 CA VAL A 135 10.624 -2.492 1.762 1.00 74.01 C ATOM 1811 C VAL A 135 10.186 -3.947 1.924 1.00 23.40 C ATOM 1812 O VAL A 135 10.108 -4.704 0.949 1.00 45.55 O ATOM 1813 CB VAL A 135 9.555 -1.623 1.003 1.00 62.55 C ATOM 1814 CG1 VAL A 135 9.399 -2.022 -0.448 1.00 62.40 C ATOM 1815 CG2 VAL A 135 8.211 -1.650 1.724 1.00 71.43 C ATOM 0 H VAL A 135 11.978 -2.683 0.185 1.00 74.31 H new ATOM 0 HA VAL A 135 10.691 -2.029 2.746 1.00 74.01 H new ATOM 0 HB VAL A 135 9.929 -0.599 1.008 1.00 62.55 H new ATOM 0 HG11 VAL A 135 8.649 -1.388 -0.921 1.00 62.40 H new ATOM 0 HG12 VAL A 135 10.352 -1.902 -0.963 1.00 62.40 H new ATOM 0 HG13 VAL A 135 9.084 -3.064 -0.507 1.00 62.40 H new ATOM 0 HG21 VAL A 135 7.492 -1.041 1.176 1.00 71.43 H new ATOM 0 HG22 VAL A 135 7.849 -2.676 1.780 1.00 71.43 H new ATOM 0 HG23 VAL A 135 8.331 -1.252 2.732 1.00 71.43 H new ATOM 1825 N HIS A 136 9.959 -4.339 3.156 1.00 63.02 N ATOM 1826 CA HIS A 136 9.554 -5.695 3.467 1.00 0.11 C ATOM 1827 C HIS A 136 8.055 -5.827 3.444 1.00 52.42 C ATOM 1828 O HIS A 136 7.361 -5.244 4.276 1.00 30.20 O ATOM 1829 CB HIS A 136 10.119 -6.178 4.822 1.00 63.32 C ATOM 1830 CG HIS A 136 11.591 -6.482 4.824 1.00 41.23 C ATOM 1831 ND1 HIS A 136 12.090 -7.731 4.526 1.00 63.40 N ATOM 1832 CD2 HIS A 136 12.675 -5.706 5.095 1.00 3.53 C ATOM 1833 CE1 HIS A 136 13.402 -7.715 4.612 1.00 30.33 C ATOM 1834 NE2 HIS A 136 13.785 -6.503 4.953 1.00 64.34 N ATOM 0 H HIS A 136 10.049 -3.731 3.970 1.00 63.02 H new ATOM 0 HA HIS A 136 9.974 -6.336 2.692 1.00 0.11 H new ATOM 0 HB2 HIS A 136 9.920 -5.415 5.574 1.00 63.32 H new ATOM 0 HB3 HIS A 136 9.578 -7.074 5.126 1.00 63.32 H new ATOM 0 HD2 HIS A 136 12.665 -4.662 5.370 1.00 3.53 H new ATOM 0 HE1 HIS A 136 14.056 -8.556 4.433 1.00 30.33 H new ATOM 0 HE2 HIS A 136 14.750 -6.204 5.090 1.00 64.34 H new ATOM 1843 N TRP A 137 7.568 -6.568 2.484 1.00 0.24 N ATOM 1844 CA TRP A 137 6.157 -6.813 2.322 1.00 34.34 C ATOM 1845 C TRP A 137 5.776 -8.103 3.011 1.00 33.53 C ATOM 1846 O TRP A 137 6.381 -9.157 2.759 1.00 45.44 O ATOM 1847 CB TRP A 137 5.788 -6.908 0.839 1.00 53.42 C ATOM 1848 CG TRP A 137 5.918 -5.635 0.061 1.00 3.51 C ATOM 1849 CD1 TRP A 137 7.065 -5.006 -0.342 1.00 3.50 C ATOM 1850 CD2 TRP A 137 4.838 -4.846 -0.431 1.00 53.53 C ATOM 1851 NE1 TRP A 137 6.749 -3.868 -1.037 1.00 44.44 N ATOM 1852 CE2 TRP A 137 5.391 -3.748 -1.106 1.00 72.23 C ATOM 1853 CE3 TRP A 137 3.446 -4.965 -0.356 1.00 3.51 C ATOM 1854 CZ2 TRP A 137 4.603 -2.774 -1.706 1.00 2.33 C ATOM 1855 CZ3 TRP A 137 2.668 -4.000 -0.948 1.00 2.22 C ATOM 1856 CH2 TRP A 137 3.244 -2.920 -1.611 1.00 43.20 C ATOM 0 H TRP A 137 8.148 -7.026 1.781 1.00 0.24 H new ATOM 0 HA TRP A 137 5.614 -5.980 2.769 1.00 34.34 H new ATOM 0 HB2 TRP A 137 6.419 -7.665 0.373 1.00 53.42 H new ATOM 0 HB3 TRP A 137 4.759 -7.259 0.760 1.00 53.42 H new ATOM 0 HD1 TRP A 137 8.068 -5.354 -0.142 1.00 3.50 H new ATOM 0 HE1 TRP A 137 7.421 -3.215 -1.439 1.00 44.44 H new ATOM 0 HE3 TRP A 137 2.992 -5.800 0.157 1.00 3.51 H new ATOM 0 HZ2 TRP A 137 5.043 -1.936 -2.226 1.00 2.33 H new ATOM 0 HZ3 TRP A 137 1.592 -4.081 -0.898 1.00 2.22 H new ATOM 0 HH2 TRP A 137 2.603 -2.178 -2.062 1.00 43.20 H new ATOM 1867 N HIS A 138 4.807 -8.024 3.888 1.00 52.13 N ATOM 1868 CA HIS A 138 4.307 -9.190 4.587 1.00 53.13 C ATOM 1869 C HIS A 138 2.844 -9.309 4.259 1.00 73.40 C ATOM 1870 O HIS A 138 2.049 -8.463 4.662 1.00 71.33 O ATOM 1871 CB HIS A 138 4.455 -9.027 6.108 1.00 42.22 C ATOM 1872 CG HIS A 138 5.809 -8.600 6.566 1.00 71.12 C ATOM 1873 ND1 HIS A 138 6.872 -9.448 6.707 1.00 72.33 N ATOM 1874 CD2 HIS A 138 6.259 -7.382 6.909 1.00 62.33 C ATOM 1875 CE1 HIS A 138 7.913 -8.765 7.120 1.00 0.52 C ATOM 1876 NE2 HIS A 138 7.567 -7.511 7.248 1.00 14.31 N ATOM 0 H HIS A 138 4.340 -7.153 4.140 1.00 52.13 H new ATOM 0 HA HIS A 138 4.870 -10.072 4.281 1.00 53.13 H new ATOM 0 HB2 HIS A 138 3.724 -8.296 6.453 1.00 42.22 H new ATOM 0 HB3 HIS A 138 4.208 -9.975 6.586 1.00 42.22 H new ATOM 0 HD1 HIS A 138 6.858 -10.451 6.521 1.00 72.33 H new ATOM 0 HD2 HIS A 138 5.685 -6.467 6.914 1.00 62.33 H new ATOM 0 HE1 HIS A 138 8.893 -9.171 7.321 1.00 0.52 H new ATOM 1885 N LEU A 139 2.481 -10.316 3.531 1.00 35.44 N ATOM 1886 CA LEU A 139 1.122 -10.468 3.095 1.00 2.53 C ATOM 1887 C LEU A 139 0.494 -11.674 3.747 1.00 72.11 C ATOM 1888 O LEU A 139 1.035 -12.775 3.683 1.00 51.13 O ATOM 1889 CB LEU A 139 1.032 -10.588 1.551 1.00 61.24 C ATOM 1890 CG LEU A 139 1.598 -9.416 0.705 1.00 11.21 C ATOM 1891 CD1 LEU A 139 3.114 -9.352 0.718 1.00 63.13 C ATOM 1892 CD2 LEU A 139 1.087 -9.459 -0.701 1.00 33.25 C ATOM 0 H LEU A 139 3.112 -11.055 3.221 1.00 35.44 H new ATOM 0 HA LEU A 139 0.575 -9.574 3.395 1.00 2.53 H new ATOM 0 HB2 LEU A 139 1.552 -11.499 1.254 1.00 61.24 H new ATOM 0 HB3 LEU A 139 -0.017 -10.719 1.285 1.00 61.24 H new ATOM 0 HG LEU A 139 1.237 -8.504 1.180 1.00 11.21 H new ATOM 0 HD11 LEU A 139 3.448 -8.512 0.109 1.00 63.13 H new ATOM 0 HD12 LEU A 139 3.464 -9.219 1.742 1.00 63.13 H new ATOM 0 HD13 LEU A 139 3.521 -10.278 0.313 1.00 63.13 H new ATOM 0 HD21 LEU A 139 1.503 -8.624 -1.265 1.00 33.25 H new ATOM 0 HD22 LEU A 139 1.386 -10.397 -1.168 1.00 33.25 H new ATOM 0 HD23 LEU A 139 -0.001 -9.387 -0.695 1.00 33.25 H new ATOM 1904 N GLU A 140 -0.626 -11.467 4.377 1.00 1.00 N ATOM 1905 CA GLU A 140 -1.351 -12.521 5.041 1.00 0.31 C ATOM 1906 C GLU A 140 -2.785 -12.494 4.555 1.00 21.53 C ATOM 1907 O GLU A 140 -3.449 -11.454 4.588 1.00 2.52 O ATOM 1908 CB GLU A 140 -1.268 -12.334 6.553 1.00 32.32 C ATOM 1909 CG GLU A 140 0.162 -12.374 7.074 1.00 23.01 C ATOM 1910 CD GLU A 140 0.258 -12.129 8.549 1.00 61.31 C ATOM 1911 OE1 GLU A 140 0.141 -13.098 9.329 1.00 34.40 O ATOM 1912 OE2 GLU A 140 0.454 -10.954 8.964 1.00 32.01 O ATOM 0 H GLU A 140 -1.070 -10.552 4.447 1.00 1.00 H new ATOM 0 HA GLU A 140 -0.917 -13.493 4.808 1.00 0.31 H new ATOM 0 HB2 GLU A 140 -1.721 -11.380 6.822 1.00 32.32 H new ATOM 0 HB3 GLU A 140 -1.851 -13.114 7.044 1.00 32.32 H new ATOM 0 HG2 GLU A 140 0.599 -13.346 6.844 1.00 23.01 H new ATOM 0 HG3 GLU A 140 0.755 -11.626 6.548 1.00 23.01 H new ATOM 1919 N TYR A 141 -3.258 -13.609 4.116 1.00 1.03 N ATOM 1920 CA TYR A 141 -4.552 -13.681 3.479 1.00 71.14 C ATOM 1921 C TYR A 141 -5.197 -15.030 3.670 1.00 15.54 C ATOM 1922 O TYR A 141 -4.544 -15.977 4.040 1.00 41.30 O ATOM 1923 CB TYR A 141 -4.418 -13.318 1.982 1.00 61.05 C ATOM 1924 CG TYR A 141 -3.325 -14.075 1.253 1.00 20.02 C ATOM 1925 CD1 TYR A 141 -1.993 -13.694 1.382 1.00 23.51 C ATOM 1926 CD2 TYR A 141 -3.615 -15.147 0.447 1.00 43.14 C ATOM 1927 CE1 TYR A 141 -0.994 -14.364 0.734 1.00 41.15 C ATOM 1928 CE2 TYR A 141 -2.620 -15.828 -0.213 1.00 5.41 C ATOM 1929 CZ TYR A 141 -1.306 -15.432 -0.065 1.00 74.34 C ATOM 1930 OH TYR A 141 -0.309 -16.111 -0.719 1.00 51.53 O ATOM 0 H TYR A 141 -2.769 -14.502 4.182 1.00 1.03 H new ATOM 0 HA TYR A 141 -5.212 -12.955 3.955 1.00 71.14 H new ATOM 0 HB2 TYR A 141 -5.370 -13.510 1.487 1.00 61.05 H new ATOM 0 HB3 TYR A 141 -4.224 -12.249 1.895 1.00 61.05 H new ATOM 0 HD1 TYR A 141 -1.743 -12.850 2.008 1.00 23.51 H new ATOM 0 HD2 TYR A 141 -4.642 -15.461 0.329 1.00 43.14 H new ATOM 0 HE1 TYR A 141 0.034 -14.054 0.851 1.00 41.15 H new ATOM 0 HE2 TYR A 141 -2.865 -16.669 -0.845 1.00 5.41 H new ATOM 0 HH TYR A 141 0.362 -16.412 -0.071 1.00 51.53 H new ATOM 1940 N GLU A 142 -6.464 -15.102 3.403 1.00 35.51 N ATOM 1941 CA GLU A 142 -7.229 -16.307 3.613 1.00 54.13 C ATOM 1942 C GLU A 142 -7.974 -16.654 2.324 1.00 61.02 C ATOM 1943 O GLU A 142 -8.713 -15.822 1.789 1.00 2.41 O ATOM 1944 CB GLU A 142 -8.203 -16.046 4.766 1.00 72.30 C ATOM 1945 CG GLU A 142 -9.046 -17.218 5.211 1.00 30.25 C ATOM 1946 CD GLU A 142 -9.958 -16.823 6.349 1.00 23.22 C ATOM 1947 OE1 GLU A 142 -10.990 -16.172 6.093 1.00 53.11 O ATOM 1948 OE2 GLU A 142 -9.646 -17.123 7.525 1.00 54.21 O ATOM 0 H GLU A 142 -7.007 -14.324 3.030 1.00 35.51 H new ATOM 0 HA GLU A 142 -6.587 -17.150 3.869 1.00 54.13 H new ATOM 0 HB2 GLU A 142 -7.631 -15.692 5.623 1.00 72.30 H new ATOM 0 HB3 GLU A 142 -8.871 -15.236 4.472 1.00 72.30 H new ATOM 0 HG2 GLU A 142 -9.640 -17.583 4.373 1.00 30.25 H new ATOM 0 HG3 GLU A 142 -8.400 -18.038 5.525 1.00 30.25 H new ATOM 1955 N LYS A 143 -7.761 -17.856 1.820 1.00 0.14 N ATOM 1956 CA LYS A 143 -8.388 -18.293 0.574 1.00 65.22 C ATOM 1957 C LYS A 143 -9.864 -18.599 0.776 1.00 63.44 C ATOM 1958 O LYS A 143 -10.244 -19.191 1.779 1.00 33.12 O ATOM 1959 CB LYS A 143 -7.722 -19.573 -0.012 1.00 12.05 C ATOM 1960 CG LYS A 143 -6.299 -19.449 -0.563 1.00 50.32 C ATOM 1961 CD LYS A 143 -5.271 -19.089 0.479 1.00 13.32 C ATOM 1962 CE LYS A 143 -3.885 -19.044 -0.118 1.00 53.01 C ATOM 1963 NZ LYS A 143 -3.449 -20.355 -0.651 1.00 12.45 N ATOM 0 H LYS A 143 -7.156 -18.554 2.253 1.00 0.14 H new ATOM 0 HA LYS A 143 -8.258 -17.465 -0.123 1.00 65.22 H new ATOM 0 HB2 LYS A 143 -7.714 -20.334 0.769 1.00 12.05 H new ATOM 0 HB3 LYS A 143 -8.360 -19.946 -0.813 1.00 12.05 H new ATOM 0 HG2 LYS A 143 -6.016 -20.394 -1.028 1.00 50.32 H new ATOM 0 HG3 LYS A 143 -6.288 -18.692 -1.347 1.00 50.32 H new ATOM 0 HD2 LYS A 143 -5.514 -18.120 0.915 1.00 13.32 H new ATOM 0 HD3 LYS A 143 -5.298 -19.818 1.288 1.00 13.32 H new ATOM 0 HE2 LYS A 143 -3.863 -18.305 -0.919 1.00 53.01 H new ATOM 0 HE3 LYS A 143 -3.177 -18.712 0.642 1.00 53.01 H new ATOM 0 HZ1 LYS A 143 -2.417 -20.351 -0.781 1.00 12.45 H new ATOM 0 HZ2 LYS A 143 -3.711 -21.106 0.019 1.00 12.45 H new ATOM 0 HZ3 LYS A 143 -3.913 -20.530 -1.565 1.00 12.45 H new ATOM 1977 N ILE A 144 -10.695 -18.183 -0.176 1.00 62.51 N ATOM 1978 CA ILE A 144 -12.102 -18.593 -0.180 1.00 75.44 C ATOM 1979 C ILE A 144 -12.134 -20.048 -0.591 1.00 64.43 C ATOM 1980 O ILE A 144 -12.946 -20.856 -0.120 1.00 2.24 O ATOM 1981 CB ILE A 144 -12.937 -17.747 -1.182 1.00 20.42 C ATOM 1982 CG1 ILE A 144 -12.936 -16.288 -0.751 1.00 54.04 C ATOM 1983 CG2 ILE A 144 -14.364 -18.275 -1.302 1.00 73.42 C ATOM 1984 CD1 ILE A 144 -13.720 -15.376 -1.651 1.00 12.24 C ATOM 0 H ILE A 144 -10.427 -17.570 -0.946 1.00 62.51 H new ATOM 0 HA ILE A 144 -12.537 -18.443 0.808 1.00 75.44 H new ATOM 0 HB ILE A 144 -12.476 -17.827 -2.167 1.00 20.42 H new ATOM 0 HG12 ILE A 144 -13.342 -16.219 0.258 1.00 54.04 H new ATOM 0 HG13 ILE A 144 -11.906 -15.936 -0.705 1.00 54.04 H new ATOM 0 HG21 ILE A 144 -14.921 -17.661 -2.010 1.00 73.42 H new ATOM 0 HG22 ILE A 144 -14.342 -19.306 -1.655 1.00 73.42 H new ATOM 0 HG23 ILE A 144 -14.850 -18.235 -0.327 1.00 73.42 H new ATOM 0 HD11 ILE A 144 -13.667 -14.356 -1.271 1.00 12.24 H new ATOM 0 HD12 ILE A 144 -13.302 -15.411 -2.657 1.00 12.24 H new ATOM 0 HD13 ILE A 144 -14.761 -15.699 -1.679 1.00 12.24 H new ATOM 1996 N SER A 145 -11.232 -20.341 -1.476 1.00 2.04 N ATOM 1997 CA SER A 145 -10.947 -21.630 -1.966 1.00 4.03 C ATOM 1998 C SER A 145 -9.617 -21.482 -2.684 1.00 34.22 C ATOM 1999 O SER A 145 -9.233 -20.351 -3.039 1.00 14.21 O ATOM 2000 CB SER A 145 -12.063 -22.127 -2.899 1.00 1.42 C ATOM 2001 OG SER A 145 -11.829 -23.452 -3.355 1.00 74.24 O ATOM 0 H SER A 145 -10.640 -19.625 -1.897 1.00 2.04 H new ATOM 0 HA SER A 145 -10.890 -22.376 -1.174 1.00 4.03 H new ATOM 0 HB2 SER A 145 -13.018 -22.088 -2.374 1.00 1.42 H new ATOM 0 HB3 SER A 145 -12.143 -21.458 -3.756 1.00 1.42 H new ATOM 0 HG SER A 145 -12.562 -23.730 -3.943 1.00 74.24 H new ATOM 2007 N GLU A 146 -8.929 -22.556 -2.899 1.00 61.14 N ATOM 2008 CA GLU A 146 -7.579 -22.498 -3.438 1.00 44.43 C ATOM 2009 C GLU A 146 -7.591 -22.186 -4.900 1.00 53.41 C ATOM 2010 O GLU A 146 -6.832 -21.351 -5.367 1.00 21.32 O ATOM 2011 CB GLU A 146 -6.882 -23.790 -3.222 1.00 20.50 C ATOM 2012 CG GLU A 146 -6.749 -24.181 -1.763 1.00 45.41 C ATOM 2013 CD GLU A 146 -5.982 -25.453 -1.593 1.00 5.41 C ATOM 2014 OE1 GLU A 146 -4.746 -25.397 -1.509 1.00 73.51 O ATOM 2015 OE2 GLU A 146 -6.598 -26.535 -1.570 1.00 13.24 O ATOM 0 H GLU A 146 -9.270 -23.499 -2.713 1.00 61.14 H new ATOM 0 HA GLU A 146 -7.050 -21.702 -2.914 1.00 44.43 H new ATOM 0 HB2 GLU A 146 -7.422 -24.576 -3.751 1.00 20.50 H new ATOM 0 HB3 GLU A 146 -5.888 -23.733 -3.665 1.00 20.50 H new ATOM 0 HG2 GLU A 146 -6.250 -23.381 -1.217 1.00 45.41 H new ATOM 0 HG3 GLU A 146 -7.741 -24.294 -1.326 1.00 45.41 H new ATOM 2022 N GLU A 147 -8.476 -22.849 -5.616 1.00 34.53 N ATOM 2023 CA GLU A 147 -8.651 -22.641 -7.054 1.00 50.12 C ATOM 2024 C GLU A 147 -9.068 -21.194 -7.339 1.00 12.43 C ATOM 2025 O GLU A 147 -8.901 -20.677 -8.443 1.00 1.22 O ATOM 2026 CB GLU A 147 -9.717 -23.605 -7.586 1.00 22.13 C ATOM 2027 CG GLU A 147 -11.070 -23.459 -6.903 1.00 12.32 C ATOM 2028 CD GLU A 147 -12.102 -24.399 -7.439 1.00 65.24 C ATOM 2029 OE1 GLU A 147 -12.168 -25.553 -6.974 1.00 45.12 O ATOM 2030 OE2 GLU A 147 -12.868 -23.996 -8.332 1.00 44.12 O ATOM 0 H GLU A 147 -9.101 -23.552 -5.223 1.00 34.53 H new ATOM 0 HA GLU A 147 -7.703 -22.834 -7.556 1.00 50.12 H new ATOM 0 HB2 GLU A 147 -9.841 -23.441 -8.656 1.00 22.13 H new ATOM 0 HB3 GLU A 147 -9.364 -24.629 -7.459 1.00 22.13 H new ATOM 0 HG2 GLU A 147 -10.951 -23.631 -5.833 1.00 12.32 H new ATOM 0 HG3 GLU A 147 -11.423 -22.435 -7.024 1.00 12.32 H new ATOM 2037 N VAL A 148 -9.580 -20.558 -6.321 1.00 4.44 N ATOM 2038 CA VAL A 148 -10.108 -19.209 -6.436 1.00 33.30 C ATOM 2039 C VAL A 148 -9.014 -18.164 -6.228 1.00 55.11 C ATOM 2040 O VAL A 148 -9.018 -17.115 -6.868 1.00 62.43 O ATOM 2041 CB VAL A 148 -11.259 -18.986 -5.413 1.00 70.02 C ATOM 2042 CG1 VAL A 148 -11.840 -17.581 -5.504 1.00 60.21 C ATOM 2043 CG2 VAL A 148 -12.342 -20.013 -5.634 1.00 60.50 C ATOM 0 H VAL A 148 -9.647 -20.953 -5.383 1.00 4.44 H new ATOM 0 HA VAL A 148 -10.501 -19.093 -7.446 1.00 33.30 H new ATOM 0 HB VAL A 148 -10.842 -19.100 -4.412 1.00 70.02 H new ATOM 0 HG11 VAL A 148 -12.640 -17.470 -4.772 1.00 60.21 H new ATOM 0 HG12 VAL A 148 -11.058 -16.850 -5.300 1.00 60.21 H new ATOM 0 HG13 VAL A 148 -12.239 -17.416 -6.505 1.00 60.21 H new ATOM 0 HG21 VAL A 148 -13.146 -19.854 -4.916 1.00 60.50 H new ATOM 0 HG22 VAL A 148 -12.735 -19.916 -6.646 1.00 60.50 H new ATOM 0 HG23 VAL A 148 -11.928 -21.013 -5.500 1.00 60.50 H new ATOM 2053 N ALA A 149 -8.068 -18.478 -5.380 1.00 61.43 N ATOM 2054 CA ALA A 149 -7.030 -17.542 -5.006 1.00 65.21 C ATOM 2055 C ALA A 149 -5.777 -17.730 -5.841 1.00 24.44 C ATOM 2056 O ALA A 149 -5.370 -18.855 -6.119 1.00 52.41 O ATOM 2057 CB ALA A 149 -6.701 -17.733 -3.555 1.00 21.22 C ATOM 0 H ALA A 149 -7.993 -19.389 -4.927 1.00 61.43 H new ATOM 0 HA ALA A 149 -7.399 -16.532 -5.184 1.00 65.21 H new ATOM 0 HB1 ALA A 149 -5.919 -17.032 -3.264 1.00 21.22 H new ATOM 0 HB2 ALA A 149 -7.592 -17.554 -2.953 1.00 21.22 H new ATOM 0 HB3 ALA A 149 -6.352 -18.753 -3.392 1.00 21.22 H new ATOM 2063 N HIS A 150 -5.161 -16.632 -6.230 1.00 2.13 N ATOM 2064 CA HIS A 150 -3.945 -16.660 -7.040 1.00 52.31 C ATOM 2065 C HIS A 150 -2.891 -15.704 -6.498 1.00 62.20 C ATOM 2066 O HIS A 150 -2.867 -14.528 -6.866 1.00 55.15 O ATOM 2067 CB HIS A 150 -4.219 -16.388 -8.539 1.00 44.41 C ATOM 2068 CG HIS A 150 -4.878 -17.523 -9.286 1.00 1.53 C ATOM 2069 ND1 HIS A 150 -4.268 -18.164 -10.326 1.00 53.12 N ATOM 2070 CD2 HIS A 150 -6.088 -18.115 -9.146 1.00 61.11 C ATOM 2071 CE1 HIS A 150 -5.056 -19.100 -10.798 1.00 15.32 C ATOM 2072 NE2 HIS A 150 -6.171 -19.097 -10.101 1.00 45.54 N ATOM 0 H HIS A 150 -5.483 -15.693 -5.997 1.00 2.13 H new ATOM 0 HA HIS A 150 -3.554 -17.675 -6.968 1.00 52.31 H new ATOM 0 HB2 HIS A 150 -4.851 -15.504 -8.622 1.00 44.41 H new ATOM 0 HB3 HIS A 150 -3.274 -16.152 -9.028 1.00 44.41 H new ATOM 0 HD1 HIS A 150 -3.337 -17.947 -10.683 1.00 53.12 H new ATOM 0 HD2 HIS A 150 -6.846 -17.862 -8.419 1.00 61.11 H new ATOM 0 HE1 HIS A 150 -4.828 -19.762 -11.620 1.00 15.32 H new ATOM 2081 N PRO A 151 -2.005 -16.204 -5.583 1.00 31.12 N ATOM 2082 CA PRO A 151 -0.920 -15.403 -4.924 1.00 0.21 C ATOM 2083 C PRO A 151 0.009 -14.675 -5.912 1.00 64.43 C ATOM 2084 O PRO A 151 0.755 -13.771 -5.528 1.00 54.21 O ATOM 2085 CB PRO A 151 -0.131 -16.461 -4.148 1.00 51.10 C ATOM 2086 CG PRO A 151 -1.118 -17.541 -3.876 1.00 23.11 C ATOM 2087 CD PRO A 151 -2.017 -17.598 -5.077 1.00 40.53 C ATOM 0 HA PRO A 151 -1.341 -14.604 -4.314 1.00 0.21 H new ATOM 0 HB2 PRO A 151 0.713 -16.832 -4.730 1.00 51.10 H new ATOM 0 HB3 PRO A 151 0.275 -16.053 -3.222 1.00 51.10 H new ATOM 0 HG2 PRO A 151 -0.617 -18.496 -3.719 1.00 23.11 H new ATOM 0 HG3 PRO A 151 -1.689 -17.328 -2.972 1.00 23.11 H new ATOM 0 HD2 PRO A 151 -1.645 -18.300 -5.824 1.00 40.53 H new ATOM 0 HD3 PRO A 151 -3.024 -17.920 -4.810 1.00 40.53 H new ATOM 2095 N GLU A 152 -0.071 -15.072 -7.175 1.00 4.41 N ATOM 2096 CA GLU A 152 0.699 -14.494 -8.287 1.00 61.22 C ATOM 2097 C GLU A 152 0.512 -12.997 -8.299 1.00 52.52 C ATOM 2098 O GLU A 152 1.464 -12.204 -8.408 1.00 13.12 O ATOM 2099 CB GLU A 152 0.076 -14.976 -9.590 1.00 50.32 C ATOM 2100 CG GLU A 152 -0.130 -16.453 -9.683 1.00 41.21 C ATOM 2101 CD GLU A 152 -0.812 -16.846 -10.963 1.00 33.04 C ATOM 2102 OE1 GLU A 152 -0.121 -17.090 -11.968 1.00 45.23 O ATOM 2103 OE2 GLU A 152 -2.055 -16.920 -10.978 1.00 55.14 O ATOM 0 H GLU A 152 -0.690 -15.827 -7.471 1.00 4.41 H new ATOM 0 HA GLU A 152 1.747 -14.774 -8.180 1.00 61.22 H new ATOM 0 HB2 GLU A 152 -0.886 -14.481 -9.720 1.00 50.32 H new ATOM 0 HB3 GLU A 152 0.711 -14.660 -10.418 1.00 50.32 H new ATOM 0 HG2 GLU A 152 0.833 -16.959 -9.615 1.00 41.21 H new ATOM 0 HG3 GLU A 152 -0.727 -16.790 -8.836 1.00 41.21 H new ATOM 2110 N THR A 153 -0.725 -12.648 -8.143 1.00 62.00 N ATOM 2111 CA THR A 153 -1.217 -11.327 -8.266 1.00 2.25 C ATOM 2112 C THR A 153 -0.712 -10.433 -7.141 1.00 12.51 C ATOM 2113 O THR A 153 -0.488 -9.255 -7.328 1.00 62.34 O ATOM 2114 CB THR A 153 -2.749 -11.394 -8.284 1.00 73.12 C ATOM 2115 OG1 THR A 153 -3.213 -11.912 -7.021 1.00 3.02 O ATOM 2116 CG2 THR A 153 -3.177 -12.376 -9.374 1.00 11.32 C ATOM 0 H THR A 153 -1.455 -13.322 -7.913 1.00 62.00 H new ATOM 0 HA THR A 153 -0.853 -10.883 -9.192 1.00 2.25 H new ATOM 0 HB THR A 153 -3.161 -10.401 -8.465 1.00 73.12 H new ATOM 0 HG1 THR A 153 -3.147 -12.890 -7.024 1.00 3.02 H new ATOM 0 HG21 THR A 153 -4.265 -12.437 -9.402 1.00 11.32 H new ATOM 0 HG22 THR A 153 -2.808 -12.031 -10.340 1.00 11.32 H new ATOM 0 HG23 THR A 153 -2.764 -13.361 -9.159 1.00 11.32 H new ATOM 2124 N LEU A 154 -0.490 -11.015 -5.990 1.00 73.14 N ATOM 2125 CA LEU A 154 -0.014 -10.276 -4.854 1.00 64.10 C ATOM 2126 C LEU A 154 1.382 -9.749 -5.053 1.00 34.21 C ATOM 2127 O LEU A 154 1.679 -8.637 -4.641 1.00 73.22 O ATOM 2128 CB LEU A 154 -0.145 -11.062 -3.555 1.00 30.12 C ATOM 2129 CG LEU A 154 -1.539 -11.092 -2.906 1.00 23.31 C ATOM 2130 CD1 LEU A 154 -2.588 -11.647 -3.819 1.00 32.22 C ATOM 2131 CD2 LEU A 154 -1.505 -11.865 -1.618 1.00 53.23 C ATOM 0 H LEU A 154 -0.634 -12.010 -5.817 1.00 73.14 H new ATOM 0 HA LEU A 154 -0.666 -9.407 -4.764 1.00 64.10 H new ATOM 0 HB2 LEU A 154 0.164 -12.090 -3.746 1.00 30.12 H new ATOM 0 HB3 LEU A 154 0.558 -10.647 -2.833 1.00 30.12 H new ATOM 0 HG LEU A 154 -1.812 -10.058 -2.697 1.00 23.31 H new ATOM 0 HD11 LEU A 154 -3.552 -11.645 -3.310 1.00 32.22 H new ATOM 0 HD12 LEU A 154 -2.651 -11.033 -4.717 1.00 32.22 H new ATOM 0 HD13 LEU A 154 -2.326 -12.668 -4.096 1.00 32.22 H new ATOM 0 HD21 LEU A 154 -2.500 -11.875 -1.173 1.00 53.23 H new ATOM 0 HD22 LEU A 154 -1.185 -12.888 -1.816 1.00 53.23 H new ATOM 0 HD23 LEU A 154 -0.805 -11.393 -0.929 1.00 53.23 H new ATOM 2143 N LEU A 155 2.229 -10.525 -5.712 1.00 62.21 N ATOM 2144 CA LEU A 155 3.582 -10.071 -5.999 1.00 41.10 C ATOM 2145 C LEU A 155 3.550 -8.853 -6.897 1.00 44.03 C ATOM 2146 O LEU A 155 4.200 -7.853 -6.626 1.00 73.13 O ATOM 2147 CB LEU A 155 4.426 -11.173 -6.627 1.00 41.41 C ATOM 2148 CG LEU A 155 4.722 -12.378 -5.739 1.00 21.25 C ATOM 2149 CD1 LEU A 155 5.571 -13.372 -6.488 1.00 41.05 C ATOM 2150 CD2 LEU A 155 5.435 -11.945 -4.462 1.00 52.22 C ATOM 0 H LEU A 155 2.008 -11.460 -6.054 1.00 62.21 H new ATOM 0 HA LEU A 155 4.047 -9.801 -5.051 1.00 41.10 H new ATOM 0 HB2 LEU A 155 3.918 -11.525 -7.525 1.00 41.41 H new ATOM 0 HB3 LEU A 155 5.374 -10.740 -6.946 1.00 41.41 H new ATOM 0 HG LEU A 155 3.776 -12.846 -5.466 1.00 21.25 H new ATOM 0 HD11 LEU A 155 5.778 -14.229 -5.847 1.00 41.05 H new ATOM 0 HD12 LEU A 155 5.040 -13.705 -7.380 1.00 41.05 H new ATOM 0 HD13 LEU A 155 6.510 -12.902 -6.779 1.00 41.05 H new ATOM 0 HD21 LEU A 155 5.637 -12.820 -3.843 1.00 52.22 H new ATOM 0 HD22 LEU A 155 6.375 -11.457 -4.718 1.00 52.22 H new ATOM 0 HD23 LEU A 155 4.803 -11.249 -3.911 1.00 52.22 H new ATOM 2162 N GLN A 156 2.750 -8.920 -7.940 1.00 33.40 N ATOM 2163 CA GLN A 156 2.629 -7.805 -8.840 1.00 24.11 C ATOM 2164 C GLN A 156 1.853 -6.632 -8.238 1.00 30.41 C ATOM 2165 O GLN A 156 2.101 -5.485 -8.577 1.00 40.32 O ATOM 2166 CB GLN A 156 2.263 -8.203 -10.290 1.00 10.21 C ATOM 2167 CG GLN A 156 0.979 -9.003 -10.507 1.00 4.52 C ATOM 2168 CD GLN A 156 -0.307 -8.197 -10.380 1.00 23.13 C ATOM 2169 OE1 GLN A 156 -1.351 -8.726 -10.012 1.00 64.53 O ATOM 2170 NE2 GLN A 156 -0.244 -6.934 -10.696 1.00 42.14 N ATOM 0 H GLN A 156 2.180 -9.731 -8.180 1.00 33.40 H new ATOM 0 HA GLN A 156 3.633 -7.400 -8.965 1.00 24.11 H new ATOM 0 HB2 GLN A 156 2.192 -7.289 -10.880 1.00 10.21 H new ATOM 0 HB3 GLN A 156 3.091 -8.782 -10.698 1.00 10.21 H new ATOM 0 HG2 GLN A 156 1.012 -9.453 -11.499 1.00 4.52 H new ATOM 0 HG3 GLN A 156 0.951 -9.820 -9.786 1.00 4.52 H new ATOM 0 HE21 GLN A 156 0.641 -6.527 -10.998 1.00 42.14 H new ATOM 0 HE22 GLN A 156 -1.080 -6.352 -10.641 1.00 42.14 H new ATOM 2179 N PHE A 157 0.915 -6.935 -7.344 1.00 3.02 N ATOM 2180 CA PHE A 157 0.198 -5.910 -6.580 1.00 53.31 C ATOM 2181 C PHE A 157 1.206 -5.096 -5.749 1.00 25.21 C ATOM 2182 O PHE A 157 1.082 -3.874 -5.618 1.00 70.01 O ATOM 2183 CB PHE A 157 -0.880 -6.561 -5.675 1.00 32.15 C ATOM 2184 CG PHE A 157 -1.692 -5.598 -4.835 1.00 14.12 C ATOM 2185 CD1 PHE A 157 -2.569 -4.708 -5.433 1.00 42.40 C ATOM 2186 CD2 PHE A 157 -1.571 -5.584 -3.447 1.00 20.32 C ATOM 2187 CE1 PHE A 157 -3.311 -3.821 -4.671 1.00 2.42 C ATOM 2188 CE2 PHE A 157 -2.317 -4.693 -2.677 1.00 3.23 C ATOM 2189 CZ PHE A 157 -3.184 -3.816 -3.295 1.00 11.41 C ATOM 0 H PHE A 157 0.630 -7.890 -7.128 1.00 3.02 H new ATOM 0 HA PHE A 157 -0.314 -5.237 -7.267 1.00 53.31 H new ATOM 0 HB2 PHE A 157 -1.563 -7.131 -6.305 1.00 32.15 H new ATOM 0 HB3 PHE A 157 -0.390 -7.272 -5.010 1.00 32.15 H new ATOM 0 HD1 PHE A 157 -2.676 -4.706 -6.508 1.00 42.40 H new ATOM 0 HD2 PHE A 157 -0.892 -6.270 -2.963 1.00 20.32 H new ATOM 0 HE1 PHE A 157 -3.990 -3.133 -5.153 1.00 2.42 H new ATOM 0 HE2 PHE A 157 -2.217 -4.689 -1.602 1.00 3.23 H new ATOM 0 HZ PHE A 157 -3.764 -3.124 -2.702 1.00 11.41 H new ATOM 2199 N CYS A 158 2.219 -5.787 -5.216 1.00 42.52 N ATOM 2200 CA CYS A 158 3.299 -5.134 -4.489 1.00 10.34 C ATOM 2201 C CYS A 158 4.046 -4.204 -5.440 1.00 25.33 C ATOM 2202 O CYS A 158 4.352 -3.050 -5.103 1.00 30.42 O ATOM 2203 CB CYS A 158 4.268 -6.175 -3.907 1.00 62.24 C ATOM 2204 SG CYS A 158 3.505 -7.359 -2.774 1.00 34.32 S ATOM 0 H CYS A 158 2.308 -6.801 -5.278 1.00 42.52 H new ATOM 0 HA CYS A 158 2.878 -4.561 -3.663 1.00 10.34 H new ATOM 0 HB2 CYS A 158 4.729 -6.723 -4.729 1.00 62.24 H new ATOM 0 HB3 CYS A 158 5.069 -5.654 -3.383 1.00 62.24 H new ATOM 0 HG CYS A 158 2.535 -7.976 -3.380 1.00 34.32 H new ATOM 2210 N VAL A 159 4.303 -4.708 -6.649 1.00 72.21 N ATOM 2211 CA VAL A 159 4.974 -3.957 -7.706 1.00 42.13 C ATOM 2212 C VAL A 159 4.209 -2.666 -8.010 1.00 42.05 C ATOM 2213 O VAL A 159 4.799 -1.592 -8.070 1.00 41.51 O ATOM 2214 CB VAL A 159 5.092 -4.801 -9.015 1.00 63.32 C ATOM 2215 CG1 VAL A 159 5.770 -4.015 -10.123 1.00 14.40 C ATOM 2216 CG2 VAL A 159 5.831 -6.101 -8.762 1.00 25.34 C ATOM 0 H VAL A 159 4.048 -5.657 -6.922 1.00 72.21 H new ATOM 0 HA VAL A 159 5.976 -3.717 -7.351 1.00 42.13 H new ATOM 0 HB VAL A 159 4.079 -5.038 -9.340 1.00 63.32 H new ATOM 0 HG11 VAL A 159 5.836 -4.632 -11.019 1.00 14.40 H new ATOM 0 HG12 VAL A 159 5.189 -3.119 -10.341 1.00 14.40 H new ATOM 0 HG13 VAL A 159 6.773 -3.729 -9.805 1.00 14.40 H new ATOM 0 HG21 VAL A 159 5.898 -6.668 -9.691 1.00 25.34 H new ATOM 0 HG22 VAL A 159 6.834 -5.884 -8.396 1.00 25.34 H new ATOM 0 HG23 VAL A 159 5.292 -6.687 -8.017 1.00 25.34 H new ATOM 2226 N GLU A 160 2.894 -2.789 -8.160 1.00 22.45 N ATOM 2227 CA GLU A 160 2.007 -1.659 -8.465 1.00 73.30 C ATOM 2228 C GLU A 160 2.214 -0.510 -7.503 1.00 45.13 C ATOM 2229 O GLU A 160 2.433 0.628 -7.922 1.00 53.35 O ATOM 2230 CB GLU A 160 0.549 -2.117 -8.403 1.00 51.43 C ATOM 2231 CG GLU A 160 0.186 -3.138 -9.452 1.00 55.33 C ATOM 2232 CD GLU A 160 0.221 -2.563 -10.840 1.00 64.14 C ATOM 2233 OE1 GLU A 160 1.314 -2.249 -11.349 1.00 54.24 O ATOM 2234 OE2 GLU A 160 -0.860 -2.390 -11.428 1.00 23.43 O ATOM 0 H GLU A 160 2.405 -3.680 -8.074 1.00 22.45 H new ATOM 0 HA GLU A 160 2.248 -1.308 -9.468 1.00 73.30 H new ATOM 0 HB2 GLU A 160 0.352 -2.537 -7.417 1.00 51.43 H new ATOM 0 HB3 GLU A 160 -0.100 -1.248 -8.515 1.00 51.43 H new ATOM 0 HG2 GLU A 160 0.876 -3.979 -9.392 1.00 55.33 H new ATOM 0 HG3 GLU A 160 -0.811 -3.528 -9.247 1.00 55.33 H new ATOM 2241 N VAL A 161 2.201 -0.823 -6.229 1.00 34.13 N ATOM 2242 CA VAL A 161 2.357 0.178 -5.192 1.00 43.35 C ATOM 2243 C VAL A 161 3.799 0.698 -5.152 1.00 21.23 C ATOM 2244 O VAL A 161 4.025 1.885 -4.916 1.00 22.32 O ATOM 2245 CB VAL A 161 1.968 -0.394 -3.806 1.00 41.21 C ATOM 2246 CG1 VAL A 161 2.087 0.664 -2.709 1.00 32.23 C ATOM 2247 CG2 VAL A 161 0.564 -0.986 -3.834 1.00 12.22 C ATOM 0 H VAL A 161 2.083 -1.774 -5.879 1.00 34.13 H new ATOM 0 HA VAL A 161 1.689 1.006 -5.428 1.00 43.35 H new ATOM 0 HB VAL A 161 2.672 -1.193 -3.574 1.00 41.21 H new ATOM 0 HG11 VAL A 161 1.806 0.227 -1.750 1.00 32.23 H new ATOM 0 HG12 VAL A 161 3.116 1.021 -2.658 1.00 32.23 H new ATOM 0 HG13 VAL A 161 1.424 1.499 -2.935 1.00 32.23 H new ATOM 0 HG21 VAL A 161 0.316 -1.381 -2.849 1.00 12.22 H new ATOM 0 HG22 VAL A 161 -0.152 -0.211 -4.105 1.00 12.22 H new ATOM 0 HG23 VAL A 161 0.523 -1.791 -4.568 1.00 12.22 H new ATOM 2257 N SER A 162 4.761 -0.190 -5.426 1.00 53.21 N ATOM 2258 CA SER A 162 6.176 0.152 -5.384 1.00 4.02 C ATOM 2259 C SER A 162 6.524 1.388 -6.230 1.00 52.35 C ATOM 2260 O SER A 162 7.135 2.309 -5.724 1.00 60.24 O ATOM 2261 CB SER A 162 7.038 -1.042 -5.784 1.00 14.22 C ATOM 2262 OG SER A 162 6.837 -2.129 -4.893 1.00 23.42 O ATOM 0 H SER A 162 4.576 -1.160 -5.681 1.00 53.21 H new ATOM 0 HA SER A 162 6.398 0.415 -4.350 1.00 4.02 H new ATOM 0 HB2 SER A 162 6.793 -1.349 -6.801 1.00 14.22 H new ATOM 0 HB3 SER A 162 8.089 -0.754 -5.783 1.00 14.22 H new ATOM 0 HG SER A 162 6.001 -2.588 -5.120 1.00 23.42 H new ATOM 2268 N LYS A 163 6.090 1.427 -7.498 1.00 11.25 N ATOM 2269 CA LYS A 163 6.430 2.585 -8.358 1.00 45.41 C ATOM 2270 C LYS A 163 5.739 3.843 -7.868 1.00 62.53 C ATOM 2271 O LYS A 163 6.319 4.927 -7.884 1.00 13.34 O ATOM 2272 CB LYS A 163 6.085 2.391 -9.862 1.00 40.11 C ATOM 2273 CG LYS A 163 6.756 1.214 -10.577 1.00 33.11 C ATOM 2274 CD LYS A 163 6.062 -0.127 -10.338 1.00 31.33 C ATOM 2275 CE LYS A 163 4.733 -0.298 -11.138 1.00 40.44 C ATOM 2276 NZ LYS A 163 3.675 0.716 -10.839 1.00 43.34 N ATOM 0 H LYS A 163 5.525 0.704 -7.944 1.00 11.25 H new ATOM 0 HA LYS A 163 7.513 2.677 -8.282 1.00 45.41 H new ATOM 0 HB2 LYS A 163 5.005 2.272 -9.950 1.00 40.11 H new ATOM 0 HB3 LYS A 163 6.349 3.306 -10.392 1.00 40.11 H new ATOM 0 HG2 LYS A 163 6.778 1.416 -11.648 1.00 33.11 H new ATOM 0 HG3 LYS A 163 7.792 1.141 -10.245 1.00 33.11 H new ATOM 0 HD2 LYS A 163 6.745 -0.932 -10.609 1.00 31.33 H new ATOM 0 HD3 LYS A 163 5.851 -0.232 -9.274 1.00 31.33 H new ATOM 0 HE2 LYS A 163 4.961 -0.258 -12.203 1.00 40.44 H new ATOM 0 HE3 LYS A 163 4.330 -1.290 -10.935 1.00 40.44 H new ATOM 0 HZ1 LYS A 163 2.753 0.363 -11.166 1.00 43.34 H new ATOM 0 HZ2 LYS A 163 3.637 0.886 -9.814 1.00 43.34 H new ATOM 0 HZ3 LYS A 163 3.898 1.606 -11.329 1.00 43.34 H new ATOM 2290 N GLU A 164 4.508 3.670 -7.409 1.00 23.35 N ATOM 2291 CA GLU A 164 3.661 4.762 -6.966 1.00 4.32 C ATOM 2292 C GLU A 164 4.329 5.518 -5.834 1.00 34.55 C ATOM 2293 O GLU A 164 4.428 6.743 -5.859 1.00 52.23 O ATOM 2294 CB GLU A 164 2.329 4.198 -6.473 1.00 73.35 C ATOM 2295 CG GLU A 164 1.259 5.242 -6.212 1.00 41.42 C ATOM 2296 CD GLU A 164 0.898 6.011 -7.458 1.00 10.24 C ATOM 2297 OE1 GLU A 164 0.195 5.442 -8.335 1.00 21.42 O ATOM 2298 OE2 GLU A 164 1.291 7.199 -7.582 1.00 52.04 O ATOM 0 H GLU A 164 4.066 2.754 -7.334 1.00 23.35 H new ATOM 0 HA GLU A 164 3.494 5.443 -7.801 1.00 4.32 H new ATOM 0 HB2 GLU A 164 1.954 3.489 -7.211 1.00 73.35 H new ATOM 0 HB3 GLU A 164 2.504 3.639 -5.554 1.00 73.35 H new ATOM 0 HG2 GLU A 164 0.368 4.755 -5.816 1.00 41.42 H new ATOM 0 HG3 GLU A 164 1.609 5.936 -5.448 1.00 41.42 H new ATOM 2305 N ILE A 165 4.780 4.781 -4.847 1.00 11.41 N ATOM 2306 CA ILE A 165 5.403 5.371 -3.695 1.00 22.44 C ATOM 2307 C ILE A 165 6.832 5.845 -3.999 1.00 62.12 C ATOM 2308 O ILE A 165 7.200 6.970 -3.679 1.00 32.22 O ATOM 2309 CB ILE A 165 5.354 4.414 -2.448 1.00 14.52 C ATOM 2310 CG1 ILE A 165 5.957 5.073 -1.210 1.00 15.21 C ATOM 2311 CG2 ILE A 165 6.023 3.069 -2.721 1.00 42.20 C ATOM 2312 CD1 ILE A 165 5.274 6.357 -0.822 1.00 13.42 C ATOM 0 H ILE A 165 4.724 3.763 -4.823 1.00 11.41 H new ATOM 0 HA ILE A 165 4.823 6.257 -3.437 1.00 22.44 H new ATOM 0 HB ILE A 165 4.300 4.220 -2.252 1.00 14.52 H new ATOM 0 HG12 ILE A 165 5.904 4.375 -0.374 1.00 15.21 H new ATOM 0 HG13 ILE A 165 7.013 5.273 -1.392 1.00 15.21 H new ATOM 0 HG21 ILE A 165 5.963 2.445 -1.829 1.00 42.20 H new ATOM 0 HG22 ILE A 165 5.516 2.571 -3.547 1.00 42.20 H new ATOM 0 HG23 ILE A 165 7.069 3.229 -2.981 1.00 42.20 H new ATOM 0 HD11 ILE A 165 5.754 6.771 0.065 1.00 13.42 H new ATOM 0 HD12 ILE A 165 5.350 7.071 -1.642 1.00 13.42 H new ATOM 0 HD13 ILE A 165 4.223 6.160 -0.608 1.00 13.42 H new ATOM 2324 N ASP A 166 7.588 4.997 -4.654 1.00 61.15 N ATOM 2325 CA ASP A 166 9.014 5.248 -4.984 1.00 35.24 C ATOM 2326 C ASP A 166 9.205 6.550 -5.760 1.00 34.31 C ATOM 2327 O ASP A 166 9.978 7.421 -5.348 1.00 22.14 O ATOM 2328 CB ASP A 166 9.553 4.074 -5.796 1.00 62.23 C ATOM 2329 CG ASP A 166 10.983 4.222 -6.241 1.00 42.25 C ATOM 2330 OD1 ASP A 166 11.885 3.780 -5.522 1.00 71.00 O ATOM 2331 OD2 ASP A 166 11.208 4.714 -7.357 1.00 74.32 O ATOM 0 H ASP A 166 7.248 4.095 -4.987 1.00 61.15 H new ATOM 0 HA ASP A 166 9.565 5.347 -4.049 1.00 35.24 H new ATOM 0 HB2 ASP A 166 9.464 3.166 -5.200 1.00 62.23 H new ATOM 0 HB3 ASP A 166 8.925 3.940 -6.676 1.00 62.23 H new ATOM 2336 N GLU A 167 8.467 6.707 -6.840 1.00 65.23 N ATOM 2337 CA GLU A 167 8.555 7.909 -7.654 1.00 14.24 C ATOM 2338 C GLU A 167 7.992 9.109 -6.950 1.00 43.13 C ATOM 2339 O GLU A 167 8.430 10.226 -7.183 1.00 1.31 O ATOM 2340 CB GLU A 167 7.955 7.713 -9.045 1.00 13.21 C ATOM 2341 CG GLU A 167 8.736 6.728 -9.899 1.00 24.13 C ATOM 2342 CD GLU A 167 8.161 6.563 -11.280 1.00 71.05 C ATOM 2343 OE1 GLU A 167 8.313 7.480 -12.116 1.00 32.31 O ATOM 2344 OE2 GLU A 167 7.547 5.514 -11.558 1.00 33.13 O ATOM 0 H GLU A 167 7.797 6.017 -7.178 1.00 65.23 H new ATOM 0 HA GLU A 167 9.616 8.108 -7.805 1.00 14.24 H new ATOM 0 HB2 GLU A 167 6.928 7.363 -8.945 1.00 13.21 H new ATOM 0 HB3 GLU A 167 7.915 8.675 -9.556 1.00 13.21 H new ATOM 0 HG2 GLU A 167 9.769 7.065 -9.979 1.00 24.13 H new ATOM 0 HG3 GLU A 167 8.755 5.759 -9.401 1.00 24.13 H new ATOM 2351 N HIS A 168 7.020 8.887 -6.095 1.00 3.13 N ATOM 2352 CA HIS A 168 6.438 9.967 -5.319 1.00 12.34 C ATOM 2353 C HIS A 168 7.468 10.471 -4.289 1.00 25.25 C ATOM 2354 O HIS A 168 7.485 11.643 -3.944 1.00 72.20 O ATOM 2355 CB HIS A 168 5.151 9.501 -4.628 1.00 10.21 C ATOM 2356 CG HIS A 168 4.345 10.598 -3.993 1.00 5.20 C ATOM 2357 ND1 HIS A 168 3.283 11.193 -4.625 1.00 71.43 N ATOM 2358 CD2 HIS A 168 4.430 11.185 -2.777 1.00 11.05 C ATOM 2359 CE1 HIS A 168 2.753 12.097 -3.835 1.00 63.34 C ATOM 2360 NE2 HIS A 168 3.424 12.115 -2.701 1.00 54.23 N ATOM 0 H HIS A 168 6.613 7.969 -5.917 1.00 3.13 H new ATOM 0 HA HIS A 168 6.176 10.789 -5.985 1.00 12.34 H new ATOM 0 HB2 HIS A 168 4.527 8.988 -5.360 1.00 10.21 H new ATOM 0 HB3 HIS A 168 5.410 8.770 -3.862 1.00 10.21 H new ATOM 0 HD2 HIS A 168 5.155 10.963 -2.008 1.00 11.05 H new ATOM 0 HE1 HIS A 168 1.906 12.723 -4.075 1.00 63.34 H new ATOM 0 HE2 HIS A 168 3.229 12.718 -1.902 1.00 54.23 H new ATOM 2369 N LEU A 169 8.310 9.565 -3.802 1.00 42.21 N ATOM 2370 CA LEU A 169 9.367 9.914 -2.858 1.00 63.10 C ATOM 2371 C LEU A 169 10.513 10.598 -3.574 1.00 35.01 C ATOM 2372 O LEU A 169 11.011 11.620 -3.109 1.00 42.32 O ATOM 2373 CB LEU A 169 9.879 8.667 -2.114 1.00 51.11 C ATOM 2374 CG LEU A 169 8.863 7.895 -1.259 1.00 43.21 C ATOM 2375 CD1 LEU A 169 9.512 6.674 -0.628 1.00 64.31 C ATOM 2376 CD2 LEU A 169 8.271 8.786 -0.183 1.00 64.04 C ATOM 0 H LEU A 169 8.280 8.576 -4.048 1.00 42.21 H new ATOM 0 HA LEU A 169 8.946 10.602 -2.125 1.00 63.10 H new ATOM 0 HB2 LEU A 169 10.292 7.979 -2.852 1.00 51.11 H new ATOM 0 HB3 LEU A 169 10.702 8.973 -1.468 1.00 51.11 H new ATOM 0 HG LEU A 169 8.057 7.564 -1.914 1.00 43.21 H new ATOM 0 HD11 LEU A 169 8.776 6.141 -0.026 1.00 64.31 H new ATOM 0 HD12 LEU A 169 9.886 6.015 -1.412 1.00 64.31 H new ATOM 0 HD13 LEU A 169 10.340 6.989 0.007 1.00 64.31 H new ATOM 0 HD21 LEU A 169 7.555 8.216 0.408 1.00 64.04 H new ATOM 0 HD22 LEU A 169 9.067 9.152 0.465 1.00 64.04 H new ATOM 0 HD23 LEU A 169 7.765 9.632 -0.649 1.00 64.04 H new ATOM 2388 N LEU A 170 10.923 10.053 -4.714 1.00 21.42 N ATOM 2389 CA LEU A 170 12.028 10.645 -5.466 1.00 25.32 C ATOM 2390 C LEU A 170 11.614 11.988 -6.041 1.00 10.01 C ATOM 2391 O LEU A 170 12.359 12.959 -5.945 1.00 42.11 O ATOM 2392 CB LEU A 170 12.445 9.727 -6.604 1.00 63.13 C ATOM 2393 CG LEU A 170 12.935 8.343 -6.224 1.00 32.14 C ATOM 2394 CD1 LEU A 170 13.219 7.546 -7.479 1.00 30.02 C ATOM 2395 CD2 LEU A 170 14.188 8.437 -5.362 1.00 51.14 C ATOM 0 H LEU A 170 10.517 9.217 -5.134 1.00 21.42 H new ATOM 0 HA LEU A 170 12.867 10.783 -4.784 1.00 25.32 H new ATOM 0 HB2 LEU A 170 11.595 9.613 -7.277 1.00 63.13 H new ATOM 0 HB3 LEU A 170 13.234 10.223 -7.169 1.00 63.13 H new ATOM 0 HG LEU A 170 12.161 7.839 -5.645 1.00 32.14 H new ATOM 0 HD11 LEU A 170 13.571 6.551 -7.206 1.00 30.02 H new ATOM 0 HD12 LEU A 170 12.307 7.459 -8.069 1.00 30.02 H new ATOM 0 HD13 LEU A 170 13.984 8.053 -8.067 1.00 30.02 H new ATOM 0 HD21 LEU A 170 14.525 7.434 -5.099 1.00 51.14 H new ATOM 0 HD22 LEU A 170 14.974 8.950 -5.917 1.00 51.14 H new ATOM 0 HD23 LEU A 170 13.963 8.994 -4.453 1.00 51.14 H new