USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 871 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 Single : A 7 ASN : amide:sc= -6.48! C(o=-6.5!,f=-13!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0638 K(o=-0.064,f=-1.2) USER MOD Single : A 14 TYR OH : rot -131:sc= -2.82! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -45:sc= -5.84! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= -0.126 (180deg=-1.24!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -3.18! USER MOD Single : A 44 SER OG : rot -153:sc= -7.22! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0134 (180deg=-0.402) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0.183 (180deg=0.171) USER MOD Single : A 84 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-1.9!) USER MOD Single : A 92 LYS NZ :NH3+ -142:sc= -0.0224 (180deg=-0.0938) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.000364 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.24) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -154:sc= -0.501 (180deg=-2.23!) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.467 -4.612 2.955 1.00 0.33 N ATOM 45 CA VAL A 4 7.765 -4.530 2.236 1.00 0.39 C ATOM 46 C VAL A 4 8.554 -5.851 2.282 1.00 0.30 C ATOM 47 O VAL A 4 9.442 -6.017 3.093 1.00 0.76 O ATOM 48 CB VAL A 4 8.616 -3.431 2.863 1.00 0.76 C ATOM 49 CG1 VAL A 4 8.676 -3.629 4.377 1.00 1.01 C ATOM 50 CG2 VAL A 4 10.027 -3.504 2.279 1.00 1.22 C ATOM 0 HA VAL A 4 7.542 -4.312 1.191 1.00 0.39 H new ATOM 0 HB VAL A 4 8.177 -2.456 2.649 1.00 0.76 H new ATOM 0 HG11 VAL A 4 9.285 -2.842 4.823 1.00 1.01 H new ATOM 0 HG12 VAL A 4 7.668 -3.586 4.790 1.00 1.01 H new ATOM 0 HG13 VAL A 4 9.118 -4.600 4.600 1.00 1.01 H new ATOM 0 HG21 VAL A 4 10.645 -2.722 2.721 1.00 1.22 H new ATOM 0 HG22 VAL A 4 10.462 -4.478 2.500 1.00 1.22 H new ATOM 0 HG23 VAL A 4 9.981 -3.364 1.199 1.00 1.22 H new ATOM 60 N LEU A 5 8.300 -6.751 1.356 1.00 0.64 N ATOM 61 CA LEU A 5 9.106 -8.015 1.270 1.00 0.72 C ATOM 62 C LEU A 5 8.706 -9.072 2.315 1.00 0.54 C ATOM 63 O LEU A 5 8.174 -8.769 3.365 1.00 0.38 O ATOM 64 CB LEU A 5 10.577 -7.638 1.436 1.00 0.78 C ATOM 65 CG LEU A 5 10.869 -6.398 0.587 1.00 1.23 C ATOM 66 CD1 LEU A 5 11.935 -5.528 1.254 1.00 1.11 C ATOM 67 CD2 LEU A 5 11.356 -6.832 -0.787 1.00 1.53 C ATOM 0 H LEU A 5 7.566 -6.663 0.654 1.00 0.64 H new ATOM 0 HA LEU A 5 8.915 -8.476 0.301 1.00 0.72 H new ATOM 0 HB2 LEU A 5 10.799 -7.438 2.484 1.00 0.78 H new ATOM 0 HB3 LEU A 5 11.216 -8.466 1.127 1.00 0.78 H new ATOM 0 HG LEU A 5 9.953 -5.815 0.490 1.00 1.23 H new ATOM 0 HD11 LEU A 5 12.129 -4.652 0.635 1.00 1.11 H new ATOM 0 HD12 LEU A 5 11.583 -5.209 2.235 1.00 1.11 H new ATOM 0 HD13 LEU A 5 12.854 -6.102 1.368 1.00 1.11 H new ATOM 0 HD21 LEU A 5 11.565 -5.951 -1.394 1.00 1.53 H new ATOM 0 HD22 LEU A 5 12.265 -7.423 -0.681 1.00 1.53 H new ATOM 0 HD23 LEU A 5 10.587 -7.433 -1.272 1.00 1.53 H new ATOM 79 N GLU A 6 8.967 -10.331 2.001 1.00 0.68 N ATOM 80 CA GLU A 6 8.619 -11.462 2.927 1.00 0.61 C ATOM 81 C GLU A 6 9.761 -12.509 2.960 1.00 0.48 C ATOM 82 O GLU A 6 10.505 -12.662 2.013 1.00 0.69 O ATOM 83 CB GLU A 6 7.323 -12.122 2.452 1.00 0.98 C ATOM 84 CG GLU A 6 7.613 -13.025 1.252 1.00 1.32 C ATOM 85 CD GLU A 6 6.294 -13.533 0.666 1.00 1.50 C ATOM 86 OE1 GLU A 6 5.319 -12.802 0.729 1.00 1.25 O ATOM 87 OE2 GLU A 6 6.281 -14.645 0.163 1.00 2.21 O ATOM 0 H GLU A 6 9.412 -10.621 1.130 1.00 0.68 H new ATOM 0 HA GLU A 6 8.484 -11.068 3.934 1.00 0.61 H new ATOM 0 HB2 GLU A 6 6.884 -12.706 3.261 1.00 0.98 H new ATOM 0 HB3 GLU A 6 6.595 -11.359 2.177 1.00 0.98 H new ATOM 0 HG2 GLU A 6 8.171 -12.474 0.495 1.00 1.32 H new ATOM 0 HG3 GLU A 6 8.235 -13.866 1.558 1.00 1.32 H new ATOM 94 N ASN A 7 9.901 -13.215 4.064 1.00 0.28 N ATOM 95 CA ASN A 7 10.984 -14.247 4.219 1.00 0.13 C ATOM 96 C ASN A 7 10.664 -15.513 3.428 1.00 0.19 C ATOM 97 O ASN A 7 10.127 -16.473 3.947 1.00 0.20 O ATOM 98 CB ASN A 7 11.117 -14.617 5.696 1.00 0.30 C ATOM 99 CG ASN A 7 9.765 -15.110 6.220 1.00 0.45 C ATOM 100 OD1 ASN A 7 8.745 -14.905 5.595 1.00 0.70 O ATOM 101 ND2 ASN A 7 9.717 -15.759 7.350 1.00 1.29 N ATOM 0 H ASN A 7 9.297 -13.116 4.880 1.00 0.28 H new ATOM 0 HA ASN A 7 11.913 -13.822 3.838 1.00 0.13 H new ATOM 0 HB2 ASN A 7 11.873 -15.392 5.822 1.00 0.30 H new ATOM 0 HB3 ASN A 7 11.449 -13.752 6.271 1.00 0.30 H new ATOM 0 HD21 ASN A 7 8.823 -16.094 7.708 1.00 1.29 H new ATOM 0 HD22 ASN A 7 10.574 -15.932 7.876 1.00 1.29 H new ATOM 108 N ARG A 8 10.997 -15.512 2.181 1.00 0.26 N ATOM 109 CA ARG A 8 10.729 -16.706 1.321 1.00 0.34 C ATOM 110 C ARG A 8 11.746 -17.840 1.542 1.00 0.37 C ATOM 111 O ARG A 8 11.396 -18.994 1.539 1.00 0.41 O ATOM 112 CB ARG A 8 10.824 -16.308 -0.146 1.00 0.39 C ATOM 113 CG ARG A 8 10.660 -17.565 -1.003 1.00 0.46 C ATOM 114 CD ARG A 8 9.601 -17.316 -2.078 1.00 0.66 C ATOM 115 NE ARG A 8 8.780 -18.545 -2.267 1.00 2.82 N ATOM 116 CZ ARG A 8 8.117 -18.720 -3.377 1.00 2.98 C ATOM 117 NH1 ARG A 8 7.029 -18.036 -3.603 1.00 3.44 N ATOM 118 NH2 ARG A 8 8.543 -19.576 -4.264 1.00 2.68 N ATOM 0 H ARG A 8 11.449 -14.732 1.704 1.00 0.26 H new ATOM 0 HA ARG A 8 9.735 -17.062 1.591 1.00 0.34 H new ATOM 0 HB2 ARG A 8 10.052 -15.579 -0.391 1.00 0.39 H new ATOM 0 HB3 ARG A 8 11.785 -15.835 -0.348 1.00 0.39 H new ATOM 0 HG2 ARG A 8 11.610 -17.827 -1.468 1.00 0.46 H new ATOM 0 HG3 ARG A 8 10.367 -18.408 -0.378 1.00 0.46 H new ATOM 0 HD2 ARG A 8 8.963 -16.482 -1.787 1.00 0.66 H new ATOM 0 HD3 ARG A 8 10.080 -17.039 -3.017 1.00 0.66 H new ATOM 0 HE ARG A 8 8.736 -19.248 -1.530 1.00 2.82 H new ATOM 0 HH11 ARG A 8 6.696 -17.364 -2.912 1.00 3.44 H new ATOM 0 HH12 ARG A 8 6.511 -18.173 -4.471 1.00 3.44 H new ATOM 0 HH21 ARG A 8 9.395 -20.109 -4.090 1.00 2.68 H new ATOM 0 HH22 ARG A 8 8.024 -19.712 -5.132 1.00 2.68 H new ATOM 132 N ARG A 9 13.007 -17.530 1.641 1.00 0.38 N ATOM 133 CA ARG A 9 14.041 -18.614 1.751 1.00 0.44 C ATOM 134 C ARG A 9 13.908 -19.481 3.010 1.00 0.28 C ATOM 135 O ARG A 9 14.162 -20.665 2.962 1.00 0.35 O ATOM 136 CB ARG A 9 15.432 -17.987 1.738 1.00 0.57 C ATOM 137 CG ARG A 9 16.455 -19.035 1.295 1.00 0.84 C ATOM 138 CD ARG A 9 17.410 -19.332 2.453 1.00 1.53 C ATOM 139 NE ARG A 9 18.678 -19.908 1.921 1.00 1.39 N ATOM 140 CZ ARG A 9 19.804 -19.692 2.544 1.00 0.51 C ATOM 141 NH1 ARG A 9 19.876 -19.847 3.837 1.00 1.32 N ATOM 142 NH2 ARG A 9 20.857 -19.307 1.876 1.00 0.66 N ATOM 0 H ARG A 9 13.373 -16.578 1.651 1.00 0.38 H new ATOM 0 HA ARG A 9 13.883 -19.271 0.896 1.00 0.44 H new ATOM 0 HB2 ARG A 9 15.452 -17.133 1.061 1.00 0.57 H new ATOM 0 HB3 ARG A 9 15.684 -17.613 2.730 1.00 0.57 H new ATOM 0 HG2 ARG A 9 15.946 -19.948 0.985 1.00 0.84 H new ATOM 0 HG3 ARG A 9 17.013 -18.672 0.432 1.00 0.84 H new ATOM 0 HD2 ARG A 9 17.619 -18.418 3.009 1.00 1.53 H new ATOM 0 HD3 ARG A 9 16.946 -20.030 3.150 1.00 1.53 H new ATOM 0 HE ARG A 9 18.665 -20.471 1.070 1.00 1.39 H new ATOM 0 HH11 ARG A 9 19.051 -20.137 4.363 1.00 1.32 H new ATOM 0 HH12 ARG A 9 20.757 -19.678 4.323 1.00 1.32 H new ATOM 0 HH21 ARG A 9 20.800 -19.175 0.866 1.00 0.66 H new ATOM 0 HH22 ARG A 9 21.737 -19.138 2.364 1.00 0.66 H new ATOM 156 N ALA A 10 13.582 -18.924 4.134 1.00 0.15 N ATOM 157 CA ALA A 10 13.501 -19.750 5.365 1.00 0.24 C ATOM 158 C ALA A 10 12.106 -20.328 5.546 1.00 0.42 C ATOM 159 O ALA A 10 11.945 -21.489 5.866 1.00 0.58 O ATOM 160 CB ALA A 10 13.868 -18.891 6.575 1.00 0.36 C ATOM 0 H ALA A 10 13.368 -17.934 4.256 1.00 0.15 H new ATOM 0 HA ALA A 10 14.201 -20.580 5.273 1.00 0.24 H new ATOM 0 HB1 ALA A 10 13.810 -19.494 7.481 1.00 0.36 H new ATOM 0 HB2 ALA A 10 14.883 -18.511 6.457 1.00 0.36 H new ATOM 0 HB3 ALA A 10 13.174 -18.054 6.651 1.00 0.36 H new ATOM 166 N ARG A 11 11.094 -19.549 5.337 1.00 0.41 N ATOM 167 CA ARG A 11 9.726 -20.091 5.495 1.00 0.60 C ATOM 168 C ARG A 11 9.478 -21.067 4.355 1.00 0.67 C ATOM 169 O ARG A 11 8.718 -22.007 4.474 1.00 0.85 O ATOM 170 CB ARG A 11 8.704 -18.951 5.431 1.00 0.59 C ATOM 171 CG ARG A 11 7.285 -19.531 5.418 1.00 0.52 C ATOM 172 CD ARG A 11 6.260 -18.397 5.503 1.00 0.55 C ATOM 173 NE ARG A 11 4.921 -18.963 5.840 1.00 0.99 N ATOM 174 CZ ARG A 11 4.131 -19.387 4.890 1.00 1.12 C ATOM 175 NH1 ARG A 11 4.598 -19.571 3.686 1.00 3.26 N ATOM 176 NH2 ARG A 11 2.873 -19.627 5.148 1.00 1.20 N ATOM 0 H ARG A 11 11.152 -18.567 5.066 1.00 0.41 H new ATOM 0 HA ARG A 11 9.625 -20.593 6.457 1.00 0.60 H new ATOM 0 HB2 ARG A 11 8.829 -18.289 6.288 1.00 0.59 H new ATOM 0 HB3 ARG A 11 8.870 -18.350 4.537 1.00 0.59 H new ATOM 0 HG2 ARG A 11 7.127 -20.109 4.507 1.00 0.52 H new ATOM 0 HG3 ARG A 11 7.154 -20.215 6.256 1.00 0.52 H new ATOM 0 HD2 ARG A 11 6.563 -17.674 6.261 1.00 0.55 H new ATOM 0 HD3 ARG A 11 6.213 -17.863 4.554 1.00 0.55 H new ATOM 0 HE ARG A 11 4.622 -19.019 6.814 1.00 0.99 H new ATOM 0 HH11 ARG A 11 5.581 -19.384 3.486 1.00 3.26 H new ATOM 0 HH12 ARG A 11 3.981 -19.902 2.945 1.00 3.26 H new ATOM 0 HH21 ARG A 11 2.509 -19.483 6.090 1.00 1.20 H new ATOM 0 HH22 ARG A 11 2.255 -19.958 4.407 1.00 1.20 H new ATOM 190 N HIS A 12 10.115 -20.840 3.239 1.00 0.57 N ATOM 191 CA HIS A 12 9.920 -21.748 2.075 1.00 0.75 C ATOM 192 C HIS A 12 11.003 -22.826 2.006 1.00 0.80 C ATOM 193 O HIS A 12 10.741 -23.952 1.634 1.00 0.97 O ATOM 194 CB HIS A 12 9.961 -20.944 0.776 1.00 0.76 C ATOM 195 CG HIS A 12 9.322 -21.751 -0.324 1.00 0.99 C ATOM 196 ND1 HIS A 12 9.521 -21.460 -1.665 1.00 0.98 N ATOM 197 CD2 HIS A 12 8.492 -22.846 -0.297 1.00 1.99 C ATOM 198 CE1 HIS A 12 8.823 -22.362 -2.383 1.00 1.07 C ATOM 199 NE2 HIS A 12 8.179 -23.229 -1.598 1.00 1.69 N ATOM 0 H HIS A 12 10.761 -20.066 3.084 1.00 0.57 H new ATOM 0 HA HIS A 12 8.951 -22.231 2.202 1.00 0.75 H new ATOM 0 HB2 HIS A 12 9.435 -19.998 0.903 1.00 0.76 H new ATOM 0 HB3 HIS A 12 10.992 -20.703 0.515 1.00 0.76 H new ATOM 0 HD2 HIS A 12 8.137 -23.335 0.598 1.00 1.99 H new ATOM 0 HE1 HIS A 12 8.789 -22.381 -3.462 1.00 1.07 H new ATOM 0 HE2 HIS A 12 7.585 -24.005 -1.889 1.00 1.69 H new ATOM 207 N ASP A 13 12.235 -22.466 2.255 1.00 0.66 N ATOM 208 CA ASP A 13 13.329 -23.462 2.072 1.00 0.70 C ATOM 209 C ASP A 13 14.047 -23.918 3.351 1.00 0.57 C ATOM 210 O ASP A 13 14.485 -25.050 3.399 1.00 0.63 O ATOM 211 CB ASP A 13 14.362 -22.870 1.112 1.00 0.70 C ATOM 212 CG ASP A 13 15.050 -23.998 0.340 1.00 0.88 C ATOM 213 OD1 ASP A 13 15.767 -24.764 0.961 1.00 0.96 O ATOM 214 OD2 ASP A 13 14.845 -24.075 -0.861 1.00 1.52 O ATOM 0 H ASP A 13 12.527 -21.541 2.572 1.00 0.66 H new ATOM 0 HA ASP A 13 12.845 -24.359 1.684 1.00 0.70 H new ATOM 0 HB2 ASP A 13 13.877 -22.184 0.418 1.00 0.70 H new ATOM 0 HB3 ASP A 13 15.101 -22.292 1.668 1.00 0.70 H new ATOM 219 N TYR A 14 14.257 -23.113 4.368 1.00 0.42 N ATOM 220 CA TYR A 14 15.042 -23.708 5.507 1.00 0.34 C ATOM 221 C TYR A 14 14.473 -23.432 6.921 1.00 0.36 C ATOM 222 O TYR A 14 13.864 -22.415 7.191 1.00 0.44 O ATOM 223 CB TYR A 14 16.505 -23.237 5.423 1.00 0.25 C ATOM 224 CG TYR A 14 17.319 -24.175 6.269 1.00 0.10 C ATOM 225 CD1 TYR A 14 17.353 -23.962 7.636 1.00 0.17 C ATOM 226 CD2 TYR A 14 17.968 -25.295 5.710 1.00 0.18 C ATOM 227 CE1 TYR A 14 18.011 -24.874 8.467 1.00 0.17 C ATOM 228 CE2 TYR A 14 18.644 -26.191 6.542 1.00 0.25 C ATOM 229 CZ TYR A 14 18.652 -25.988 7.922 1.00 0.20 C ATOM 230 OH TYR A 14 19.259 -26.909 8.747 1.00 0.34 O ATOM 0 H TYR A 14 13.949 -22.145 4.464 1.00 0.42 H new ATOM 0 HA TYR A 14 14.966 -24.788 5.382 1.00 0.34 H new ATOM 0 HB2 TYR A 14 16.855 -23.247 4.391 1.00 0.25 H new ATOM 0 HB3 TYR A 14 16.601 -22.212 5.782 1.00 0.25 H new ATOM 0 HD1 TYR A 14 16.872 -23.093 8.060 1.00 0.17 H new ATOM 0 HD2 TYR A 14 17.943 -25.460 4.643 1.00 0.18 H new ATOM 0 HE1 TYR A 14 18.023 -24.716 9.535 1.00 0.17 H new ATOM 0 HE2 TYR A 14 19.160 -27.040 6.117 1.00 0.25 H new ATOM 0 HH TYR A 14 20.164 -27.095 8.420 1.00 0.34 H new ATOM 240 N GLU A 15 14.723 -24.378 7.827 1.00 0.31 N ATOM 241 CA GLU A 15 14.276 -24.279 9.268 1.00 0.37 C ATOM 242 C GLU A 15 15.309 -23.446 10.023 1.00 0.43 C ATOM 243 O GLU A 15 16.473 -23.680 9.934 1.00 0.44 O ATOM 244 CB GLU A 15 14.246 -25.686 9.867 1.00 0.29 C ATOM 245 CG GLU A 15 14.213 -25.600 11.393 1.00 0.42 C ATOM 246 CD GLU A 15 14.125 -27.011 11.981 1.00 0.82 C ATOM 247 OE1 GLU A 15 14.465 -27.947 11.276 1.00 0.70 O ATOM 248 OE2 GLU A 15 13.721 -27.129 13.125 1.00 1.83 O ATOM 0 H GLU A 15 15.233 -25.235 7.613 1.00 0.31 H new ATOM 0 HA GLU A 15 13.288 -23.823 9.337 1.00 0.37 H new ATOM 0 HB2 GLU A 15 13.371 -26.226 9.505 1.00 0.29 H new ATOM 0 HB3 GLU A 15 15.123 -26.247 9.544 1.00 0.29 H new ATOM 0 HG2 GLU A 15 15.108 -25.097 11.759 1.00 0.42 H new ATOM 0 HG3 GLU A 15 13.358 -25.006 11.716 1.00 0.42 H new ATOM 255 N ILE A 16 14.945 -22.438 10.714 1.00 0.50 N ATOM 256 CA ILE A 16 16.028 -21.619 11.311 1.00 0.57 C ATOM 257 C ILE A 16 16.553 -22.054 12.683 1.00 0.61 C ATOM 258 O ILE A 16 15.860 -22.145 13.677 1.00 0.68 O ATOM 259 CB ILE A 16 15.580 -20.183 11.285 1.00 0.69 C ATOM 260 CG1 ILE A 16 15.573 -19.777 9.807 1.00 0.58 C ATOM 261 CG2 ILE A 16 16.552 -19.314 12.085 1.00 0.79 C ATOM 262 CD1 ILE A 16 16.975 -19.948 9.219 1.00 0.37 C ATOM 0 H ILE A 16 13.987 -22.139 10.897 1.00 0.50 H new ATOM 0 HA ILE A 16 16.914 -21.772 10.696 1.00 0.57 H new ATOM 0 HB ILE A 16 14.595 -20.054 11.735 1.00 0.69 H new ATOM 0 HG12 ILE A 16 14.860 -20.389 9.255 1.00 0.58 H new ATOM 0 HG13 ILE A 16 15.250 -18.741 9.706 1.00 0.58 H new ATOM 0 HG21 ILE A 16 16.218 -18.277 12.060 1.00 0.79 H new ATOM 0 HG22 ILE A 16 16.583 -19.660 13.118 1.00 0.79 H new ATOM 0 HG23 ILE A 16 17.548 -19.385 11.648 1.00 0.79 H new ATOM 0 HD11 ILE A 16 16.967 -19.659 8.168 1.00 0.37 H new ATOM 0 HD12 ILE A 16 17.677 -19.317 9.764 1.00 0.37 H new ATOM 0 HD13 ILE A 16 17.281 -20.990 9.306 1.00 0.37 H new ATOM 274 N LEU A 17 17.842 -22.301 12.668 1.00 0.59 N ATOM 275 CA LEU A 17 18.649 -22.727 13.845 1.00 0.67 C ATOM 276 C LEU A 17 18.790 -21.579 14.885 1.00 0.79 C ATOM 277 O LEU A 17 18.506 -21.762 16.053 1.00 1.16 O ATOM 278 CB LEU A 17 20.008 -23.082 13.231 1.00 0.67 C ATOM 279 CG LEU A 17 20.962 -23.751 14.212 1.00 0.80 C ATOM 280 CD1 LEU A 17 22.291 -24.005 13.482 1.00 0.67 C ATOM 281 CD2 LEU A 17 21.211 -22.829 15.405 1.00 1.12 C ATOM 0 H LEU A 17 18.400 -22.215 11.819 1.00 0.59 H new ATOM 0 HA LEU A 17 18.195 -23.554 14.390 1.00 0.67 H new ATOM 0 HB2 LEU A 17 19.851 -23.745 12.380 1.00 0.67 H new ATOM 0 HB3 LEU A 17 20.473 -22.174 12.847 1.00 0.67 H new ATOM 0 HG LEU A 17 20.534 -24.687 14.573 1.00 0.80 H new ATOM 0 HD11 LEU A 17 22.994 -24.484 14.163 1.00 0.67 H new ATOM 0 HD12 LEU A 17 22.117 -24.654 12.624 1.00 0.67 H new ATOM 0 HD13 LEU A 17 22.706 -23.057 13.141 1.00 0.67 H new ATOM 0 HD21 LEU A 17 21.894 -23.313 16.103 1.00 1.12 H new ATOM 0 HD22 LEU A 17 21.650 -21.894 15.057 1.00 1.12 H new ATOM 0 HD23 LEU A 17 20.266 -22.621 15.907 1.00 1.12 H new ATOM 293 N GLU A 18 19.213 -20.401 14.472 1.00 0.48 N ATOM 294 CA GLU A 18 19.354 -19.248 15.435 1.00 0.54 C ATOM 295 C GLU A 18 18.503 -18.084 14.888 1.00 0.63 C ATOM 296 O GLU A 18 18.307 -17.985 13.704 1.00 0.82 O ATOM 297 CB GLU A 18 20.845 -18.850 15.608 1.00 0.36 C ATOM 298 CG GLU A 18 21.017 -18.231 16.994 1.00 0.19 C ATOM 299 CD GLU A 18 20.804 -19.302 18.068 1.00 0.37 C ATOM 300 OE1 GLU A 18 21.696 -20.111 18.256 1.00 1.69 O ATOM 301 OE2 GLU A 18 19.753 -19.291 18.687 1.00 1.83 O ATOM 0 H GLU A 18 19.468 -20.186 13.508 1.00 0.48 H new ATOM 0 HA GLU A 18 18.999 -19.526 16.428 1.00 0.54 H new ATOM 0 HB2 GLU A 18 21.487 -19.724 15.500 1.00 0.36 H new ATOM 0 HB3 GLU A 18 21.141 -18.140 14.835 1.00 0.36 H new ATOM 0 HG2 GLU A 18 22.014 -17.800 17.089 1.00 0.19 H new ATOM 0 HG3 GLU A 18 20.304 -17.418 17.131 1.00 0.19 H new ATOM 308 N THR A 19 17.927 -17.243 15.722 1.00 0.66 N ATOM 309 CA THR A 19 17.038 -16.157 15.165 1.00 0.79 C ATOM 310 C THR A 19 17.268 -14.784 15.822 1.00 0.59 C ATOM 311 O THR A 19 17.642 -14.695 16.975 1.00 0.44 O ATOM 312 CB THR A 19 15.578 -16.566 15.374 1.00 1.09 C ATOM 313 OG1 THR A 19 15.328 -16.735 16.762 1.00 1.37 O ATOM 314 CG2 THR A 19 15.308 -17.881 14.641 1.00 0.92 C ATOM 0 H THR A 19 18.027 -17.256 16.737 1.00 0.66 H new ATOM 0 HA THR A 19 17.283 -16.050 14.108 1.00 0.79 H new ATOM 0 HB THR A 19 14.922 -15.790 14.980 1.00 1.09 H new ATOM 0 HG1 THR A 19 14.393 -16.995 16.897 1.00 1.37 H new ATOM 0 HG21 THR A 19 14.268 -18.173 14.789 1.00 0.92 H new ATOM 0 HG22 THR A 19 15.500 -17.750 13.576 1.00 0.92 H new ATOM 0 HG23 THR A 19 15.963 -18.658 15.035 1.00 0.92 H new ATOM 322 N TYR A 20 16.962 -13.704 15.122 1.00 0.63 N ATOM 323 CA TYR A 20 17.091 -12.352 15.755 1.00 0.53 C ATOM 324 C TYR A 20 15.959 -11.435 15.361 1.00 0.58 C ATOM 325 O TYR A 20 15.291 -11.601 14.358 1.00 0.69 O ATOM 326 CB TYR A 20 18.475 -11.701 15.532 1.00 0.57 C ATOM 327 CG TYR A 20 18.765 -11.122 14.153 1.00 0.45 C ATOM 328 CD1 TYR A 20 17.800 -10.508 13.332 1.00 0.58 C ATOM 329 CD2 TYR A 20 20.091 -11.201 13.717 1.00 0.21 C ATOM 330 CE1 TYR A 20 18.183 -9.988 12.081 1.00 0.46 C ATOM 331 CE2 TYR A 20 20.473 -10.687 12.483 1.00 0.19 C ATOM 332 CZ TYR A 20 19.520 -10.084 11.658 1.00 0.27 C ATOM 333 OH TYR A 20 19.897 -9.576 10.431 1.00 0.28 O ATOM 0 H TYR A 20 16.634 -13.706 14.156 1.00 0.63 H new ATOM 0 HA TYR A 20 17.014 -12.516 16.830 1.00 0.53 H new ATOM 0 HB2 TYR A 20 18.593 -10.902 16.264 1.00 0.57 H new ATOM 0 HB3 TYR A 20 19.238 -12.449 15.750 1.00 0.57 H new ATOM 0 HD1 TYR A 20 16.773 -10.436 13.660 1.00 0.58 H new ATOM 0 HD2 TYR A 20 20.831 -11.669 14.349 1.00 0.21 H new ATOM 0 HE1 TYR A 20 17.449 -9.515 11.446 1.00 0.46 H new ATOM 0 HE2 TYR A 20 21.502 -10.754 12.163 1.00 0.19 H new ATOM 0 HH TYR A 20 19.243 -9.842 9.752 1.00 0.28 H new ATOM 343 N GLU A 21 15.732 -10.483 16.204 1.00 0.50 N ATOM 344 CA GLU A 21 14.643 -9.510 16.006 1.00 0.52 C ATOM 345 C GLU A 21 15.257 -8.110 16.022 1.00 0.52 C ATOM 346 O GLU A 21 15.881 -7.706 16.983 1.00 0.64 O ATOM 347 CB GLU A 21 13.671 -9.695 17.164 1.00 0.60 C ATOM 348 CG GLU A 21 13.597 -8.422 18.010 1.00 1.91 C ATOM 349 CD GLU A 21 12.537 -8.597 19.099 1.00 2.02 C ATOM 350 OE1 GLU A 21 11.364 -8.529 18.774 1.00 2.73 O ATOM 351 OE2 GLU A 21 12.918 -8.799 20.241 1.00 2.28 O ATOM 0 H GLU A 21 16.277 -10.335 17.053 1.00 0.50 H new ATOM 0 HA GLU A 21 14.118 -9.650 15.061 1.00 0.52 H new ATOM 0 HB2 GLU A 21 12.681 -9.941 16.780 1.00 0.60 H new ATOM 0 HB3 GLU A 21 13.990 -10.533 17.784 1.00 0.60 H new ATOM 0 HG2 GLU A 21 14.567 -8.215 18.461 1.00 1.91 H new ATOM 0 HG3 GLU A 21 13.350 -7.567 17.380 1.00 1.91 H new ATOM 358 N ALA A 22 15.125 -7.382 14.955 1.00 0.49 N ATOM 359 CA ALA A 22 15.742 -6.032 14.906 1.00 0.53 C ATOM 360 C ALA A 22 14.664 -4.953 14.849 1.00 0.65 C ATOM 361 O ALA A 22 13.512 -5.215 14.562 1.00 0.65 O ATOM 362 CB ALA A 22 16.625 -5.934 13.660 1.00 0.50 C ATOM 0 H ALA A 22 14.618 -7.661 14.115 1.00 0.49 H new ATOM 0 HA ALA A 22 16.340 -5.880 15.805 1.00 0.53 H new ATOM 0 HB1 ALA A 22 17.083 -4.946 13.615 1.00 0.50 H new ATOM 0 HB2 ALA A 22 17.405 -6.694 13.706 1.00 0.50 H new ATOM 0 HB3 ALA A 22 16.017 -6.093 12.770 1.00 0.50 H new ATOM 368 N GLY A 23 15.052 -3.735 15.085 1.00 0.77 N ATOM 369 CA GLY A 23 14.093 -2.606 15.013 1.00 0.92 C ATOM 370 C GLY A 23 14.542 -1.768 13.834 1.00 0.89 C ATOM 371 O GLY A 23 15.469 -0.988 13.930 1.00 0.75 O ATOM 0 H GLY A 23 16.007 -3.471 15.328 1.00 0.77 H new ATOM 0 HA2 GLY A 23 13.073 -2.965 14.873 1.00 0.92 H new ATOM 0 HA3 GLY A 23 14.102 -2.024 15.934 1.00 0.92 H new ATOM 375 N ILE A 24 13.951 -1.973 12.699 1.00 1.02 N ATOM 376 CA ILE A 24 14.423 -1.235 11.501 1.00 1.03 C ATOM 377 C ILE A 24 13.549 -0.019 11.246 1.00 0.99 C ATOM 378 O ILE A 24 12.340 -0.068 11.306 1.00 1.34 O ATOM 379 CB ILE A 24 14.382 -2.174 10.295 1.00 1.20 C ATOM 380 CG1 ILE A 24 15.534 -3.169 10.374 1.00 1.09 C ATOM 381 CG2 ILE A 24 14.537 -1.359 9.019 1.00 1.30 C ATOM 382 CD1 ILE A 24 15.896 -3.395 11.830 1.00 0.97 C ATOM 0 H ILE A 24 13.170 -2.611 12.547 1.00 1.02 H new ATOM 0 HA ILE A 24 15.444 -0.890 11.667 1.00 1.03 H new ATOM 0 HB ILE A 24 13.432 -2.708 10.293 1.00 1.20 H new ATOM 0 HG12 ILE A 24 15.249 -4.112 9.907 1.00 1.09 H new ATOM 0 HG13 ILE A 24 16.397 -2.790 9.827 1.00 1.09 H new ATOM 0 HG21 ILE A 24 14.508 -2.025 8.156 1.00 1.30 H new ATOM 0 HG22 ILE A 24 13.724 -0.637 8.947 1.00 1.30 H new ATOM 0 HG23 ILE A 24 15.490 -0.831 9.038 1.00 1.30 H new ATOM 0 HD11 ILE A 24 16.720 -4.106 11.894 1.00 0.97 H new ATOM 0 HD12 ILE A 24 16.197 -2.449 12.281 1.00 0.97 H new ATOM 0 HD13 ILE A 24 15.032 -3.792 12.362 1.00 0.97 H new ATOM 394 N ALA A 25 14.165 1.081 10.957 1.00 0.69 N ATOM 395 CA ALA A 25 13.368 2.312 10.676 1.00 0.63 C ATOM 396 C ALA A 25 13.581 2.759 9.241 1.00 0.61 C ATOM 397 O ALA A 25 14.505 2.369 8.556 1.00 0.65 O ATOM 398 CB ALA A 25 13.739 3.473 11.591 1.00 0.61 C ATOM 0 H ALA A 25 15.178 1.190 10.901 1.00 0.69 H new ATOM 0 HA ALA A 25 12.325 2.049 10.854 1.00 0.63 H new ATOM 0 HB1 ALA A 25 13.129 4.341 11.342 1.00 0.61 H new ATOM 0 HB2 ALA A 25 13.561 3.190 12.628 1.00 0.61 H new ATOM 0 HB3 ALA A 25 14.792 3.719 11.457 1.00 0.61 H new ATOM 404 N LEU A 26 12.691 3.576 8.813 1.00 0.53 N ATOM 405 CA LEU A 26 12.704 4.128 7.435 1.00 0.47 C ATOM 406 C LEU A 26 12.895 5.635 7.470 1.00 0.56 C ATOM 407 O LEU A 26 12.519 6.299 8.416 1.00 0.59 O ATOM 408 CB LEU A 26 11.353 3.865 6.787 1.00 0.21 C ATOM 409 CG LEU A 26 10.317 3.679 7.895 1.00 0.14 C ATOM 410 CD1 LEU A 26 10.156 4.988 8.689 1.00 2.38 C ATOM 411 CD2 LEU A 26 8.991 3.288 7.267 1.00 2.58 C ATOM 0 H LEU A 26 11.912 3.906 9.383 1.00 0.53 H new ATOM 0 HA LEU A 26 13.516 3.657 6.882 1.00 0.47 H new ATOM 0 HB2 LEU A 26 11.073 4.697 6.141 1.00 0.21 H new ATOM 0 HB3 LEU A 26 11.400 2.976 6.158 1.00 0.21 H new ATOM 0 HG LEU A 26 10.646 2.896 8.578 1.00 0.14 H new ATOM 0 HD11 LEU A 26 9.416 4.847 9.477 1.00 2.38 H new ATOM 0 HD12 LEU A 26 11.112 5.263 9.134 1.00 2.38 H new ATOM 0 HD13 LEU A 26 9.826 5.782 8.019 1.00 2.38 H new ATOM 0 HD21 LEU A 26 8.244 3.153 8.049 1.00 2.58 H new ATOM 0 HD22 LEU A 26 8.665 4.074 6.586 1.00 2.58 H new ATOM 0 HD23 LEU A 26 9.111 2.356 6.714 1.00 2.58 H new ATOM 423 N LYS A 27 13.405 6.186 6.417 1.00 0.63 N ATOM 424 CA LYS A 27 13.537 7.653 6.356 1.00 0.79 C ATOM 425 C LYS A 27 12.140 8.183 6.015 1.00 0.73 C ATOM 426 O LYS A 27 11.190 7.425 5.979 1.00 0.57 O ATOM 427 CB LYS A 27 14.540 8.036 5.267 1.00 0.91 C ATOM 428 CG LYS A 27 15.367 9.225 5.743 1.00 1.05 C ATOM 429 CD LYS A 27 16.402 9.579 4.677 1.00 1.12 C ATOM 430 CE LYS A 27 16.949 10.980 4.945 1.00 0.18 C ATOM 431 NZ LYS A 27 18.329 10.879 5.500 1.00 0.95 N ATOM 0 H LYS A 27 13.737 5.682 5.595 1.00 0.63 H new ATOM 0 HA LYS A 27 13.900 8.072 7.295 1.00 0.79 H new ATOM 0 HB2 LYS A 27 15.191 7.191 5.042 1.00 0.91 H new ATOM 0 HB3 LYS A 27 14.016 8.288 4.345 1.00 0.91 H new ATOM 0 HG2 LYS A 27 14.719 10.080 5.935 1.00 1.05 H new ATOM 0 HG3 LYS A 27 15.864 8.984 6.683 1.00 1.05 H new ATOM 0 HD2 LYS A 27 17.214 8.852 4.687 1.00 1.12 H new ATOM 0 HD3 LYS A 27 15.949 9.537 3.687 1.00 1.12 H new ATOM 0 HE2 LYS A 27 16.959 11.561 4.022 1.00 0.18 H new ATOM 0 HE3 LYS A 27 16.302 11.506 5.646 1.00 0.18 H new ATOM 0 HZ1 LYS A 27 18.701 11.833 5.682 1.00 0.95 H new ATOM 0 HZ2 LYS A 27 18.307 10.340 6.389 1.00 0.95 H new ATOM 0 HZ3 LYS A 27 18.944 10.393 4.816 1.00 0.95 H new ATOM 445 N GLY A 28 11.969 9.455 5.823 1.00 0.90 N ATOM 446 CA GLY A 28 10.591 9.967 5.564 1.00 0.94 C ATOM 447 C GLY A 28 10.005 9.459 4.246 1.00 0.86 C ATOM 448 O GLY A 28 8.873 9.020 4.196 1.00 0.83 O ATOM 0 H GLY A 28 12.708 10.158 5.833 1.00 0.90 H new ATOM 0 HA2 GLY A 28 9.938 9.669 6.385 1.00 0.94 H new ATOM 0 HA3 GLY A 28 10.610 11.057 5.551 1.00 0.94 H new ATOM 452 N THR A 29 10.748 9.494 3.190 1.00 0.85 N ATOM 453 CA THR A 29 10.215 8.995 1.898 1.00 0.81 C ATOM 454 C THR A 29 10.522 7.526 1.783 1.00 0.65 C ATOM 455 O THR A 29 10.067 6.855 0.880 1.00 0.66 O ATOM 456 CB THR A 29 10.822 9.712 0.703 1.00 0.85 C ATOM 457 OG1 THR A 29 12.238 9.610 0.750 1.00 0.81 O ATOM 458 CG2 THR A 29 10.407 11.184 0.709 1.00 0.95 C ATOM 0 H THR A 29 11.705 9.847 3.160 1.00 0.85 H new ATOM 0 HA THR A 29 9.141 9.182 1.889 1.00 0.81 H new ATOM 0 HB THR A 29 10.459 9.246 -0.213 1.00 0.85 H new ATOM 0 HG1 THR A 29 12.625 10.072 -0.023 1.00 0.81 H new ATOM 0 HG21 THR A 29 10.847 11.689 -0.151 1.00 0.95 H new ATOM 0 HG22 THR A 29 9.321 11.256 0.656 1.00 0.95 H new ATOM 0 HG23 THR A 29 10.757 11.657 1.626 1.00 0.95 H new ATOM 466 N GLU A 30 11.303 7.011 2.677 1.00 0.57 N ATOM 467 CA GLU A 30 11.624 5.583 2.570 1.00 0.46 C ATOM 468 C GLU A 30 10.327 4.852 2.569 1.00 0.46 C ATOM 469 O GLU A 30 10.190 3.857 1.943 1.00 0.51 O ATOM 470 CB GLU A 30 12.483 5.144 3.745 1.00 0.41 C ATOM 471 CG GLU A 30 13.958 5.371 3.390 1.00 0.44 C ATOM 472 CD GLU A 30 14.826 4.361 4.142 1.00 0.51 C ATOM 473 OE1 GLU A 30 14.316 3.305 4.475 1.00 0.76 O ATOM 474 OE2 GLU A 30 15.984 4.664 4.376 1.00 1.70 O ATOM 0 H GLU A 30 11.724 7.509 3.461 1.00 0.57 H new ATOM 0 HA GLU A 30 12.189 5.375 1.661 1.00 0.46 H new ATOM 0 HB2 GLU A 30 12.218 5.710 4.638 1.00 0.41 H new ATOM 0 HB3 GLU A 30 12.306 4.092 3.970 1.00 0.41 H new ATOM 0 HG2 GLU A 30 14.105 5.263 2.315 1.00 0.44 H new ATOM 0 HG3 GLU A 30 14.254 6.387 3.652 1.00 0.44 H new ATOM 481 N VAL A 31 9.357 5.331 3.254 1.00 0.48 N ATOM 482 CA VAL A 31 8.086 4.574 3.253 1.00 0.48 C ATOM 483 C VAL A 31 7.512 4.368 1.845 1.00 0.54 C ATOM 484 O VAL A 31 6.911 3.350 1.599 1.00 0.52 O ATOM 485 CB VAL A 31 7.077 5.214 4.178 1.00 0.54 C ATOM 486 CG1 VAL A 31 5.671 5.032 3.606 1.00 0.73 C ATOM 487 CG2 VAL A 31 7.201 4.491 5.517 1.00 0.38 C ATOM 0 H VAL A 31 9.375 6.190 3.804 1.00 0.48 H new ATOM 0 HA VAL A 31 8.313 3.578 3.632 1.00 0.48 H new ATOM 0 HB VAL A 31 7.257 6.283 4.293 1.00 0.54 H new ATOM 0 HG11 VAL A 31 4.944 5.494 4.274 1.00 0.73 H new ATOM 0 HG12 VAL A 31 5.613 5.504 2.625 1.00 0.73 H new ATOM 0 HG13 VAL A 31 5.452 3.969 3.511 1.00 0.73 H new ATOM 0 HG21 VAL A 31 6.491 4.915 6.227 1.00 0.38 H new ATOM 0 HG22 VAL A 31 6.987 3.431 5.379 1.00 0.38 H new ATOM 0 HG23 VAL A 31 8.214 4.610 5.902 1.00 0.38 H new ATOM 497 N LYS A 32 7.650 5.263 0.898 1.00 0.62 N ATOM 498 CA LYS A 32 7.046 4.909 -0.428 1.00 0.65 C ATOM 499 C LYS A 32 7.844 3.778 -1.068 1.00 0.54 C ATOM 500 O LYS A 32 7.299 2.802 -1.497 1.00 0.49 O ATOM 501 CB LYS A 32 7.070 6.074 -1.402 1.00 0.78 C ATOM 502 CG LYS A 32 6.085 7.150 -0.951 1.00 0.88 C ATOM 503 CD LYS A 32 6.833 8.468 -0.742 1.00 0.93 C ATOM 504 CE LYS A 32 6.618 8.949 0.691 1.00 0.74 C ATOM 505 NZ LYS A 32 5.156 9.017 0.971 1.00 0.66 N ATOM 0 H LYS A 32 8.121 6.165 0.970 1.00 0.62 H new ATOM 0 HA LYS A 32 6.012 4.622 -0.234 1.00 0.65 H new ATOM 0 HB2 LYS A 32 8.076 6.491 -1.459 1.00 0.78 H new ATOM 0 HB3 LYS A 32 6.811 5.728 -2.403 1.00 0.78 H new ATOM 0 HG2 LYS A 32 5.302 7.278 -1.698 1.00 0.88 H new ATOM 0 HG3 LYS A 32 5.596 6.846 -0.026 1.00 0.88 H new ATOM 0 HD2 LYS A 32 7.897 8.330 -0.936 1.00 0.93 H new ATOM 0 HD3 LYS A 32 6.475 9.218 -1.447 1.00 0.93 H new ATOM 0 HE2 LYS A 32 7.103 8.270 1.392 1.00 0.74 H new ATOM 0 HE3 LYS A 32 7.073 9.930 0.830 1.00 0.74 H new ATOM 0 HZ1 LYS A 32 4.960 9.821 1.602 1.00 0.66 H new ATOM 0 HZ2 LYS A 32 4.637 9.143 0.079 1.00 0.66 H new ATOM 0 HZ3 LYS A 32 4.849 8.135 1.429 1.00 0.66 H new ATOM 519 N SER A 33 9.135 3.930 -1.126 1.00 0.53 N ATOM 520 CA SER A 33 10.029 2.897 -1.732 1.00 0.47 C ATOM 521 C SER A 33 10.100 1.677 -0.827 1.00 0.37 C ATOM 522 O SER A 33 10.244 0.569 -1.271 1.00 0.35 O ATOM 523 CB SER A 33 11.432 3.475 -1.912 1.00 0.50 C ATOM 524 OG SER A 33 11.856 3.268 -3.253 1.00 1.82 O ATOM 0 H SER A 33 9.625 4.750 -0.769 1.00 0.53 H new ATOM 0 HA SER A 33 9.626 2.604 -2.701 1.00 0.47 H new ATOM 0 HB2 SER A 33 11.432 4.540 -1.679 1.00 0.50 H new ATOM 0 HB3 SER A 33 12.126 2.997 -1.221 1.00 0.50 H new ATOM 0 HG SER A 33 12.755 3.639 -3.373 1.00 1.82 H new ATOM 530 N LEU A 34 10.041 1.899 0.442 1.00 0.33 N ATOM 531 CA LEU A 34 10.129 0.785 1.421 1.00 0.25 C ATOM 532 C LEU A 34 8.845 -0.038 1.323 1.00 0.32 C ATOM 533 O LEU A 34 8.880 -1.236 1.118 1.00 0.32 O ATOM 534 CB LEU A 34 10.342 1.361 2.838 1.00 0.24 C ATOM 535 CG LEU A 34 11.508 0.623 3.491 1.00 0.41 C ATOM 536 CD1 LEU A 34 11.238 -0.879 3.486 1.00 0.63 C ATOM 537 CD2 LEU A 34 12.796 0.908 2.712 1.00 0.38 C ATOM 0 H LEU A 34 9.933 2.824 0.858 1.00 0.33 H new ATOM 0 HA LEU A 34 10.977 0.135 1.205 1.00 0.25 H new ATOM 0 HB2 LEU A 34 10.552 2.429 2.785 1.00 0.24 H new ATOM 0 HB3 LEU A 34 9.437 1.243 3.435 1.00 0.24 H new ATOM 0 HG LEU A 34 11.617 0.968 4.519 1.00 0.41 H new ATOM 0 HD11 LEU A 34 12.073 -1.400 3.953 1.00 0.63 H new ATOM 0 HD12 LEU A 34 10.324 -1.086 4.043 1.00 0.63 H new ATOM 0 HD13 LEU A 34 11.123 -1.225 2.459 1.00 0.63 H new ATOM 0 HD21 LEU A 34 13.628 0.381 3.179 1.00 0.38 H new ATOM 0 HD22 LEU A 34 12.682 0.567 1.683 1.00 0.38 H new ATOM 0 HD23 LEU A 34 12.996 1.979 2.719 1.00 0.38 H new ATOM 549 N ARG A 35 7.715 0.601 1.391 1.00 0.45 N ATOM 550 CA ARG A 35 6.435 -0.137 1.222 1.00 0.63 C ATOM 551 C ARG A 35 6.336 -0.506 -0.257 1.00 0.75 C ATOM 552 O ARG A 35 5.678 -1.452 -0.640 1.00 0.88 O ATOM 553 CB ARG A 35 5.247 0.756 1.603 1.00 0.79 C ATOM 554 CG ARG A 35 4.673 0.308 2.948 1.00 0.88 C ATOM 555 CD ARG A 35 3.831 1.438 3.543 1.00 1.32 C ATOM 556 NE ARG A 35 2.479 1.436 2.913 1.00 1.83 N ATOM 557 CZ ARG A 35 1.463 0.911 3.544 1.00 1.22 C ATOM 558 NH1 ARG A 35 1.663 0.049 4.505 1.00 2.08 N ATOM 559 NH2 ARG A 35 0.248 1.248 3.213 1.00 1.40 N ATOM 0 H ARG A 35 7.621 1.603 1.556 1.00 0.45 H new ATOM 0 HA ARG A 35 6.412 -1.019 1.861 1.00 0.63 H new ATOM 0 HB2 ARG A 35 5.566 1.796 1.662 1.00 0.79 H new ATOM 0 HB3 ARG A 35 4.478 0.702 0.833 1.00 0.79 H new ATOM 0 HG2 ARG A 35 4.062 -0.585 2.816 1.00 0.88 H new ATOM 0 HG3 ARG A 35 5.481 0.043 3.630 1.00 0.88 H new ATOM 0 HD2 ARG A 35 3.741 1.310 4.622 1.00 1.32 H new ATOM 0 HD3 ARG A 35 4.320 2.397 3.376 1.00 1.32 H new ATOM 0 HE ARG A 35 2.348 1.845 1.988 1.00 1.83 H new ATOM 0 HH11 ARG A 35 2.614 -0.215 4.764 1.00 2.08 H new ATOM 0 HH12 ARG A 35 0.868 -0.360 4.997 1.00 2.08 H new ATOM 0 HH21 ARG A 35 0.092 1.921 2.462 1.00 1.40 H new ATOM 0 HH22 ARG A 35 -0.547 0.839 3.705 1.00 1.40 H new ATOM 573 N ALA A 36 7.022 0.241 -1.087 1.00 0.76 N ATOM 574 CA ALA A 36 7.024 -0.041 -2.554 1.00 0.98 C ATOM 575 C ALA A 36 8.382 -0.664 -2.883 1.00 0.88 C ATOM 576 O ALA A 36 8.895 -0.534 -3.978 1.00 1.14 O ATOM 577 CB ALA A 36 6.847 1.274 -3.343 1.00 1.26 C ATOM 0 H ALA A 36 7.587 1.043 -0.806 1.00 0.76 H new ATOM 0 HA ALA A 36 6.208 -0.711 -2.825 1.00 0.98 H new ATOM 0 HB1 ALA A 36 6.850 1.060 -4.412 1.00 1.26 H new ATOM 0 HB2 ALA A 36 5.900 1.739 -3.068 1.00 1.26 H new ATOM 0 HB3 ALA A 36 7.666 1.953 -3.107 1.00 1.26 H new ATOM 583 N GLY A 37 8.999 -1.270 -1.900 1.00 0.58 N ATOM 584 CA GLY A 37 10.369 -1.825 -2.090 1.00 0.66 C ATOM 585 C GLY A 37 10.390 -3.226 -2.681 1.00 0.62 C ATOM 586 O GLY A 37 10.034 -4.194 -2.039 1.00 0.90 O ATOM 0 H GLY A 37 8.607 -1.404 -0.968 1.00 0.58 H new ATOM 0 HA2 GLY A 37 10.933 -1.158 -2.742 1.00 0.66 H new ATOM 0 HA3 GLY A 37 10.881 -1.839 -1.128 1.00 0.66 H new ATOM 590 N LYS A 38 10.907 -3.347 -3.870 1.00 0.65 N ATOM 591 CA LYS A 38 11.068 -4.692 -4.460 1.00 0.97 C ATOM 592 C LYS A 38 12.496 -5.090 -4.106 1.00 0.77 C ATOM 593 O LYS A 38 13.437 -4.442 -4.510 1.00 0.70 O ATOM 594 CB LYS A 38 10.885 -4.643 -5.980 1.00 1.35 C ATOM 595 CG LYS A 38 11.436 -5.931 -6.602 1.00 2.39 C ATOM 596 CD LYS A 38 10.686 -7.142 -6.035 1.00 2.21 C ATOM 597 CE LYS A 38 9.485 -7.467 -6.927 1.00 1.84 C ATOM 598 NZ LYS A 38 9.359 -8.945 -7.070 1.00 2.80 N ATOM 0 H LYS A 38 11.223 -2.572 -4.453 1.00 0.65 H new ATOM 0 HA LYS A 38 10.330 -5.401 -4.084 1.00 0.97 H new ATOM 0 HB2 LYS A 38 9.829 -4.530 -6.227 1.00 1.35 H new ATOM 0 HB3 LYS A 38 11.403 -3.777 -6.392 1.00 1.35 H new ATOM 0 HG2 LYS A 38 11.326 -5.898 -7.686 1.00 2.39 H new ATOM 0 HG3 LYS A 38 12.502 -6.020 -6.392 1.00 2.39 H new ATOM 0 HD2 LYS A 38 11.353 -8.002 -5.979 1.00 2.21 H new ATOM 0 HD3 LYS A 38 10.351 -6.932 -5.019 1.00 2.21 H new ATOM 0 HE2 LYS A 38 8.574 -7.054 -6.494 1.00 1.84 H new ATOM 0 HE3 LYS A 38 9.610 -7.005 -7.906 1.00 1.84 H new ATOM 0 HZ1 LYS A 38 8.543 -9.167 -7.676 1.00 2.80 H new ATOM 0 HZ2 LYS A 38 10.225 -9.327 -7.501 1.00 2.80 H new ATOM 0 HZ3 LYS A 38 9.221 -9.374 -6.133 1.00 2.80 H new ATOM 612 N VAL A 39 12.669 -6.106 -3.320 1.00 0.84 N ATOM 613 CA VAL A 39 14.046 -6.497 -2.895 1.00 0.66 C ATOM 614 C VAL A 39 14.173 -8.005 -2.974 1.00 0.50 C ATOM 615 O VAL A 39 13.194 -8.720 -2.895 1.00 0.55 O ATOM 616 CB VAL A 39 14.261 -6.043 -1.438 1.00 0.73 C ATOM 617 CG1 VAL A 39 15.726 -6.222 -1.015 1.00 2.62 C ATOM 618 CG2 VAL A 39 13.881 -4.569 -1.313 1.00 2.87 C ATOM 0 H VAL A 39 11.919 -6.689 -2.949 1.00 0.84 H new ATOM 0 HA VAL A 39 14.789 -6.031 -3.542 1.00 0.66 H new ATOM 0 HB VAL A 39 13.636 -6.655 -0.788 1.00 0.73 H new ATOM 0 HG11 VAL A 39 15.849 -5.894 0.017 1.00 2.62 H new ATOM 0 HG12 VAL A 39 16.003 -7.273 -1.097 1.00 2.62 H new ATOM 0 HG13 VAL A 39 16.368 -5.626 -1.664 1.00 2.62 H new ATOM 0 HG21 VAL A 39 14.031 -4.241 -0.284 1.00 2.87 H new ATOM 0 HG22 VAL A 39 14.507 -3.974 -1.978 1.00 2.87 H new ATOM 0 HG23 VAL A 39 12.834 -4.439 -1.587 1.00 2.87 H new ATOM 628 N ASP A 40 15.359 -8.507 -3.121 1.00 0.36 N ATOM 629 CA ASP A 40 15.490 -9.981 -3.190 1.00 0.26 C ATOM 630 C ASP A 40 15.588 -10.531 -1.768 1.00 0.31 C ATOM 631 O ASP A 40 16.595 -10.380 -1.105 1.00 0.31 O ATOM 632 CB ASP A 40 16.753 -10.346 -3.975 1.00 0.17 C ATOM 633 CG ASP A 40 17.001 -11.853 -3.871 1.00 1.20 C ATOM 634 OD1 ASP A 40 16.048 -12.602 -4.007 1.00 1.58 O ATOM 635 OD2 ASP A 40 18.141 -12.232 -3.659 1.00 1.90 O ATOM 0 H ASP A 40 16.226 -7.976 -3.195 1.00 0.36 H new ATOM 0 HA ASP A 40 14.623 -10.410 -3.693 1.00 0.26 H new ATOM 0 HB2 ASP A 40 16.641 -10.056 -5.020 1.00 0.17 H new ATOM 0 HB3 ASP A 40 17.609 -9.798 -3.582 1.00 0.17 H new ATOM 640 N PHE A 41 14.562 -11.194 -1.301 1.00 0.41 N ATOM 641 CA PHE A 41 14.631 -11.775 0.065 1.00 0.49 C ATOM 642 C PHE A 41 14.984 -13.238 -0.104 1.00 0.43 C ATOM 643 O PHE A 41 14.203 -14.007 -0.619 1.00 0.44 O ATOM 644 CB PHE A 41 13.288 -11.621 0.787 1.00 0.64 C ATOM 645 CG PHE A 41 13.272 -10.291 1.505 1.00 0.87 C ATOM 646 CD1 PHE A 41 13.861 -9.180 0.893 1.00 1.39 C ATOM 647 CD2 PHE A 41 12.673 -10.158 2.771 1.00 0.57 C ATOM 648 CE1 PHE A 41 13.849 -7.940 1.534 1.00 1.62 C ATOM 649 CE2 PHE A 41 12.666 -8.917 3.409 1.00 0.80 C ATOM 650 CZ PHE A 41 13.253 -7.810 2.791 1.00 1.32 C ATOM 0 H PHE A 41 13.689 -11.355 -1.803 1.00 0.41 H new ATOM 0 HA PHE A 41 15.377 -11.261 0.671 1.00 0.49 H new ATOM 0 HB2 PHE A 41 12.467 -11.674 0.072 1.00 0.64 H new ATOM 0 HB3 PHE A 41 13.146 -12.435 1.497 1.00 0.64 H new ATOM 0 HD1 PHE A 41 14.326 -9.281 -0.077 1.00 1.39 H new ATOM 0 HD2 PHE A 41 12.220 -11.014 3.248 1.00 0.57 H new ATOM 0 HE1 PHE A 41 14.300 -7.082 1.059 1.00 1.62 H new ATOM 0 HE2 PHE A 41 12.207 -8.812 4.381 1.00 0.80 H new ATOM 0 HZ PHE A 41 13.246 -6.850 3.287 1.00 1.32 H new ATOM 660 N THR A 42 16.177 -13.583 0.300 1.00 0.42 N ATOM 661 CA THR A 42 16.725 -14.962 0.172 1.00 0.36 C ATOM 662 C THR A 42 18.134 -14.826 -0.391 1.00 0.36 C ATOM 663 O THR A 42 18.446 -13.837 -1.025 1.00 0.39 O ATOM 664 CB THR A 42 15.879 -15.810 -0.758 1.00 0.28 C ATOM 665 OG1 THR A 42 16.419 -17.121 -0.829 1.00 0.26 O ATOM 666 CG2 THR A 42 15.888 -15.173 -2.137 1.00 0.19 C ATOM 0 H THR A 42 16.825 -12.927 0.736 1.00 0.42 H new ATOM 0 HA THR A 42 16.726 -15.456 1.144 1.00 0.36 H new ATOM 0 HB THR A 42 14.857 -15.870 -0.385 1.00 0.28 H new ATOM 0 HG1 THR A 42 15.871 -17.669 -1.429 1.00 0.26 H new ATOM 0 HG21 THR A 42 15.283 -15.772 -2.818 1.00 0.19 H new ATOM 0 HG22 THR A 42 15.476 -14.166 -2.075 1.00 0.19 H new ATOM 0 HG23 THR A 42 16.912 -15.124 -2.508 1.00 0.19 H new ATOM 674 N GLY A 43 19.011 -15.763 -0.138 1.00 0.36 N ATOM 675 CA GLY A 43 20.402 -15.582 -0.638 1.00 0.43 C ATOM 676 C GLY A 43 20.814 -14.177 -0.207 1.00 0.51 C ATOM 677 O GLY A 43 21.608 -13.510 -0.840 1.00 0.55 O ATOM 0 H GLY A 43 18.830 -16.623 0.379 1.00 0.36 H new ATOM 0 HA2 GLY A 43 21.071 -16.333 -0.217 1.00 0.43 H new ATOM 0 HA3 GLY A 43 20.446 -15.688 -1.722 1.00 0.43 H new ATOM 681 N SER A 44 20.218 -13.729 0.870 1.00 0.55 N ATOM 682 CA SER A 44 20.469 -12.367 1.398 1.00 0.64 C ATOM 683 C SER A 44 21.468 -12.441 2.554 1.00 0.61 C ATOM 684 O SER A 44 21.801 -13.511 3.025 1.00 0.50 O ATOM 685 CB SER A 44 19.130 -11.827 1.894 1.00 0.64 C ATOM 686 OG SER A 44 19.266 -11.374 3.232 1.00 0.64 O ATOM 0 H SER A 44 19.550 -14.273 1.416 1.00 0.55 H new ATOM 0 HA SER A 44 20.886 -11.716 0.630 1.00 0.64 H new ATOM 0 HB2 SER A 44 18.797 -11.010 1.255 1.00 0.64 H new ATOM 0 HB3 SER A 44 18.369 -12.606 1.838 1.00 0.64 H new ATOM 0 HG SER A 44 18.400 -11.435 3.687 1.00 0.64 H new ATOM 692 N PHE A 45 21.965 -11.321 3.016 1.00 0.70 N ATOM 693 CA PHE A 45 22.950 -11.367 4.131 1.00 0.66 C ATOM 694 C PHE A 45 22.811 -10.150 5.025 1.00 0.68 C ATOM 695 O PHE A 45 22.352 -9.105 4.629 1.00 0.80 O ATOM 696 CB PHE A 45 24.382 -11.364 3.601 1.00 0.76 C ATOM 697 CG PHE A 45 24.711 -12.684 2.959 1.00 0.68 C ATOM 698 CD1 PHE A 45 24.098 -13.061 1.763 1.00 0.58 C ATOM 699 CD2 PHE A 45 25.653 -13.522 3.557 1.00 0.77 C ATOM 700 CE1 PHE A 45 24.422 -14.270 1.163 1.00 0.53 C ATOM 701 CE2 PHE A 45 25.979 -14.740 2.961 1.00 0.77 C ATOM 702 CZ PHE A 45 25.365 -15.118 1.759 1.00 0.63 C ATOM 0 H PHE A 45 21.733 -10.389 2.672 1.00 0.70 H new ATOM 0 HA PHE A 45 22.748 -12.283 4.686 1.00 0.66 H new ATOM 0 HB2 PHE A 45 24.505 -10.560 2.876 1.00 0.76 H new ATOM 0 HB3 PHE A 45 25.077 -11.167 4.417 1.00 0.76 H new ATOM 0 HD1 PHE A 45 23.369 -12.410 1.303 1.00 0.58 H new ATOM 0 HD2 PHE A 45 26.129 -13.228 4.481 1.00 0.77 H new ATOM 0 HE1 PHE A 45 23.947 -14.557 0.236 1.00 0.53 H new ATOM 0 HE2 PHE A 45 26.704 -15.392 3.425 1.00 0.77 H new ATOM 0 HZ PHE A 45 25.618 -16.059 1.294 1.00 0.63 H new ATOM 712 N ALA A 46 23.262 -10.287 6.223 1.00 0.55 N ATOM 713 CA ALA A 46 23.251 -9.166 7.180 1.00 0.54 C ATOM 714 C ALA A 46 24.601 -9.224 7.883 1.00 0.51 C ATOM 715 O ALA A 46 25.167 -10.287 8.046 1.00 0.50 O ATOM 716 CB ALA A 46 22.099 -9.302 8.170 1.00 0.50 C ATOM 0 H ALA A 46 23.650 -11.155 6.592 1.00 0.55 H new ATOM 0 HA ALA A 46 23.102 -8.208 6.682 1.00 0.54 H new ATOM 0 HB1 ALA A 46 22.115 -8.462 8.864 1.00 0.50 H new ATOM 0 HB2 ALA A 46 21.153 -9.308 7.629 1.00 0.50 H new ATOM 0 HB3 ALA A 46 22.205 -10.234 8.726 1.00 0.50 H new ATOM 722 N ARG A 47 25.160 -8.119 8.255 1.00 0.49 N ATOM 723 CA ARG A 47 26.501 -8.176 8.880 1.00 0.47 C ATOM 724 C ARG A 47 26.393 -7.812 10.350 1.00 0.45 C ATOM 725 O ARG A 47 25.571 -7.014 10.757 1.00 0.46 O ATOM 726 CB ARG A 47 27.424 -7.189 8.167 1.00 0.45 C ATOM 727 CG ARG A 47 28.446 -6.638 9.164 1.00 0.35 C ATOM 728 CD ARG A 47 29.662 -6.111 8.405 1.00 0.26 C ATOM 729 NE ARG A 47 30.864 -6.901 8.792 1.00 1.34 N ATOM 730 CZ ARG A 47 32.021 -6.626 8.257 1.00 1.61 C ATOM 731 NH1 ARG A 47 32.079 -6.114 7.059 1.00 1.98 N ATOM 732 NH2 ARG A 47 33.121 -6.870 8.916 1.00 1.53 N ATOM 0 H ARG A 47 24.755 -7.188 8.156 1.00 0.49 H new ATOM 0 HA ARG A 47 26.907 -9.184 8.793 1.00 0.47 H new ATOM 0 HB2 ARG A 47 27.935 -7.684 7.341 1.00 0.45 H new ATOM 0 HB3 ARG A 47 26.841 -6.374 7.739 1.00 0.45 H new ATOM 0 HG2 ARG A 47 27.999 -5.839 9.756 1.00 0.35 H new ATOM 0 HG3 ARG A 47 28.749 -7.420 9.861 1.00 0.35 H new ATOM 0 HD2 ARG A 47 29.494 -6.185 7.330 1.00 0.26 H new ATOM 0 HD3 ARG A 47 29.817 -5.056 8.632 1.00 0.26 H new ATOM 0 HE ARG A 47 30.782 -7.655 9.474 1.00 1.34 H new ATOM 0 HH11 ARG A 47 31.220 -5.929 6.541 1.00 1.98 H new ATOM 0 HH12 ARG A 47 32.984 -5.899 6.640 1.00 1.98 H new ATOM 0 HH21 ARG A 47 33.076 -7.276 9.851 1.00 1.53 H new ATOM 0 HH22 ARG A 47 34.025 -6.654 8.496 1.00 1.53 H new ATOM 746 N PHE A 48 27.210 -8.427 11.154 1.00 0.43 N ATOM 747 CA PHE A 48 27.165 -8.169 12.600 1.00 0.42 C ATOM 748 C PHE A 48 28.428 -7.446 13.032 1.00 0.45 C ATOM 749 O PHE A 48 29.486 -8.024 13.163 1.00 0.47 O ATOM 750 CB PHE A 48 27.068 -9.505 13.343 1.00 0.41 C ATOM 751 CG PHE A 48 28.312 -10.328 13.078 1.00 0.35 C ATOM 752 CD1 PHE A 48 28.449 -11.025 11.868 1.00 0.49 C ATOM 753 CD2 PHE A 48 29.329 -10.398 14.040 1.00 0.45 C ATOM 754 CE1 PHE A 48 29.596 -11.789 11.624 1.00 0.59 C ATOM 755 CE2 PHE A 48 30.476 -11.162 13.794 1.00 0.58 C ATOM 756 CZ PHE A 48 30.610 -11.857 12.586 1.00 0.60 C ATOM 0 H PHE A 48 27.913 -9.105 10.859 1.00 0.43 H new ATOM 0 HA PHE A 48 26.299 -7.550 12.832 1.00 0.42 H new ATOM 0 HB2 PHE A 48 26.957 -9.330 14.413 1.00 0.41 H new ATOM 0 HB3 PHE A 48 26.183 -10.051 13.016 1.00 0.41 H new ATOM 0 HD1 PHE A 48 27.668 -10.972 11.124 1.00 0.49 H new ATOM 0 HD2 PHE A 48 29.228 -9.862 14.972 1.00 0.45 H new ATOM 0 HE1 PHE A 48 29.699 -12.326 10.693 1.00 0.59 H new ATOM 0 HE2 PHE A 48 31.258 -11.215 14.537 1.00 0.58 H new ATOM 0 HZ PHE A 48 31.496 -12.445 12.397 1.00 0.60 H new ATOM 766 N GLU A 49 28.307 -6.194 13.292 1.00 0.47 N ATOM 767 CA GLU A 49 29.474 -5.419 13.767 1.00 0.53 C ATOM 768 C GLU A 49 29.395 -5.391 15.296 1.00 0.50 C ATOM 769 O GLU A 49 29.845 -4.463 15.938 1.00 0.52 O ATOM 770 CB GLU A 49 29.417 -3.993 13.201 1.00 0.59 C ATOM 771 CG GLU A 49 30.817 -3.373 13.229 1.00 0.71 C ATOM 772 CD GLU A 49 31.706 -4.066 12.191 1.00 0.77 C ATOM 773 OE1 GLU A 49 31.646 -3.679 11.035 1.00 0.51 O ATOM 774 OE2 GLU A 49 32.431 -4.970 12.571 1.00 2.51 O ATOM 0 H GLU A 49 27.442 -5.661 13.197 1.00 0.47 H new ATOM 0 HA GLU A 49 30.410 -5.870 13.438 1.00 0.53 H new ATOM 0 HB2 GLU A 49 29.037 -4.011 12.180 1.00 0.59 H new ATOM 0 HB3 GLU A 49 28.727 -3.386 13.787 1.00 0.59 H new ATOM 0 HG2 GLU A 49 30.757 -2.305 13.017 1.00 0.71 H new ATOM 0 HG3 GLU A 49 31.252 -3.477 14.223 1.00 0.71 H new ATOM 781 N ASP A 50 28.794 -6.409 15.878 1.00 0.47 N ATOM 782 CA ASP A 50 28.645 -6.455 17.360 1.00 0.49 C ATOM 783 C ASP A 50 28.154 -5.088 17.822 1.00 0.45 C ATOM 784 O ASP A 50 28.629 -4.534 18.793 1.00 0.38 O ATOM 785 CB ASP A 50 29.994 -6.775 18.011 1.00 0.62 C ATOM 786 CG ASP A 50 29.762 -7.589 19.284 1.00 2.09 C ATOM 787 OD1 ASP A 50 28.660 -8.082 19.456 1.00 2.82 O ATOM 788 OD2 ASP A 50 30.692 -7.707 20.066 1.00 2.92 O ATOM 0 H ASP A 50 28.402 -7.209 15.382 1.00 0.47 H new ATOM 0 HA ASP A 50 27.935 -7.230 17.647 1.00 0.49 H new ATOM 0 HB2 ASP A 50 30.622 -7.335 17.317 1.00 0.62 H new ATOM 0 HB3 ASP A 50 30.524 -5.853 18.247 1.00 0.62 H new ATOM 793 N GLY A 51 27.207 -4.545 17.111 1.00 0.58 N ATOM 794 CA GLY A 51 26.656 -3.211 17.463 1.00 0.54 C ATOM 795 C GLY A 51 25.758 -2.738 16.319 1.00 0.46 C ATOM 796 O GLY A 51 24.811 -2.003 16.523 1.00 0.44 O ATOM 0 H GLY A 51 26.786 -4.977 16.288 1.00 0.58 H new ATOM 0 HA2 GLY A 51 26.088 -3.269 18.391 1.00 0.54 H new ATOM 0 HA3 GLY A 51 27.465 -2.499 17.629 1.00 0.54 H new ATOM 800 N GLU A 52 26.053 -3.152 15.114 1.00 0.43 N ATOM 801 CA GLU A 52 25.219 -2.724 13.955 1.00 0.37 C ATOM 802 C GLU A 52 24.896 -3.927 13.055 1.00 0.33 C ATOM 803 O GLU A 52 25.776 -4.556 12.502 1.00 0.73 O ATOM 804 CB GLU A 52 25.984 -1.676 13.138 1.00 0.41 C ATOM 805 CG GLU A 52 25.865 -0.307 13.813 1.00 0.36 C ATOM 806 CD GLU A 52 27.196 0.058 14.473 1.00 0.63 C ATOM 807 OE1 GLU A 52 27.538 -0.572 15.461 1.00 2.27 O ATOM 808 OE2 GLU A 52 27.851 0.961 13.980 1.00 1.42 O ATOM 0 H GLU A 52 26.834 -3.767 14.884 1.00 0.43 H new ATOM 0 HA GLU A 52 24.287 -2.300 14.329 1.00 0.37 H new ATOM 0 HB2 GLU A 52 27.033 -1.961 13.054 1.00 0.41 H new ATOM 0 HB3 GLU A 52 25.585 -1.628 12.125 1.00 0.41 H new ATOM 0 HG2 GLU A 52 25.593 0.450 13.077 1.00 0.36 H new ATOM 0 HG3 GLU A 52 25.071 -0.326 14.559 1.00 0.36 H new ATOM 815 N LEU A 53 23.634 -4.214 12.864 1.00 0.33 N ATOM 816 CA LEU A 53 23.238 -5.324 11.965 1.00 0.40 C ATOM 817 C LEU A 53 22.954 -4.679 10.617 1.00 0.48 C ATOM 818 O LEU A 53 21.934 -4.072 10.396 1.00 0.57 O ATOM 819 CB LEU A 53 21.983 -6.009 12.509 1.00 0.51 C ATOM 820 CG LEU A 53 21.490 -7.059 11.517 1.00 0.57 C ATOM 821 CD1 LEU A 53 22.141 -8.406 11.841 1.00 0.47 C ATOM 822 CD2 LEU A 53 19.971 -7.186 11.636 1.00 0.75 C ATOM 0 H LEU A 53 22.857 -3.717 13.300 1.00 0.33 H new ATOM 0 HA LEU A 53 24.014 -6.085 11.885 1.00 0.40 H new ATOM 0 HB2 LEU A 53 22.201 -6.478 13.469 1.00 0.51 H new ATOM 0 HB3 LEU A 53 21.202 -5.269 12.686 1.00 0.51 H new ATOM 0 HG LEU A 53 21.755 -6.762 10.502 1.00 0.57 H new ATOM 0 HD11 LEU A 53 21.791 -9.159 11.134 1.00 0.47 H new ATOM 0 HD12 LEU A 53 23.225 -8.314 11.766 1.00 0.47 H new ATOM 0 HD13 LEU A 53 21.872 -8.706 12.854 1.00 0.47 H new ATOM 0 HD21 LEU A 53 19.612 -7.935 10.930 1.00 0.75 H new ATOM 0 HD22 LEU A 53 19.710 -7.489 12.650 1.00 0.75 H new ATOM 0 HD23 LEU A 53 19.507 -6.225 11.413 1.00 0.75 H new ATOM 834 N TYR A 54 23.899 -4.742 9.753 1.00 0.48 N ATOM 835 CA TYR A 54 23.779 -4.051 8.435 1.00 0.54 C ATOM 836 C TYR A 54 23.117 -4.885 7.352 1.00 0.56 C ATOM 837 O TYR A 54 23.318 -6.074 7.249 1.00 0.61 O ATOM 838 CB TYR A 54 25.194 -3.767 7.934 1.00 0.53 C ATOM 839 CG TYR A 54 25.649 -2.434 8.461 1.00 0.70 C ATOM 840 CD1 TYR A 54 25.045 -1.265 7.997 1.00 1.02 C ATOM 841 CD2 TYR A 54 26.660 -2.372 9.424 1.00 0.91 C ATOM 842 CE1 TYR A 54 25.452 -0.027 8.492 1.00 1.37 C ATOM 843 CE2 TYR A 54 27.071 -1.135 9.926 1.00 1.31 C ATOM 844 CZ TYR A 54 26.465 0.043 9.460 1.00 1.49 C ATOM 845 OH TYR A 54 26.864 1.269 9.953 1.00 1.92 O ATOM 0 H TYR A 54 24.773 -5.249 9.892 1.00 0.48 H new ATOM 0 HA TYR A 54 23.167 -3.165 8.605 1.00 0.54 H new ATOM 0 HB2 TYR A 54 25.874 -4.553 8.264 1.00 0.53 H new ATOM 0 HB3 TYR A 54 25.213 -3.766 6.844 1.00 0.53 H new ATOM 0 HD1 TYR A 54 24.262 -1.319 7.255 1.00 1.02 H new ATOM 0 HD2 TYR A 54 27.123 -3.280 9.780 1.00 0.91 H new ATOM 0 HE1 TYR A 54 24.987 0.878 8.130 1.00 1.37 H new ATOM 0 HE2 TYR A 54 27.852 -1.085 10.670 1.00 1.31 H new ATOM 0 HH TYR A 54 27.574 1.140 10.616 1.00 1.92 H new ATOM 855 N LEU A 55 22.424 -4.230 6.453 1.00 0.51 N ATOM 856 CA LEU A 55 21.885 -4.972 5.298 1.00 0.51 C ATOM 857 C LEU A 55 23.162 -5.403 4.595 1.00 0.51 C ATOM 858 O LEU A 55 24.116 -4.650 4.568 1.00 0.50 O ATOM 859 CB LEU A 55 21.110 -4.064 4.337 1.00 0.44 C ATOM 860 CG LEU A 55 19.607 -4.238 4.517 1.00 0.51 C ATOM 861 CD1 LEU A 55 18.958 -2.883 4.804 1.00 0.48 C ATOM 862 CD2 LEU A 55 19.031 -4.813 3.223 1.00 0.56 C ATOM 0 H LEU A 55 22.217 -3.232 6.476 1.00 0.51 H new ATOM 0 HA LEU A 55 21.201 -5.766 5.598 1.00 0.51 H new ATOM 0 HB2 LEU A 55 21.383 -3.024 4.513 1.00 0.44 H new ATOM 0 HB3 LEU A 55 21.386 -4.296 3.309 1.00 0.44 H new ATOM 0 HG LEU A 55 19.408 -4.909 5.353 1.00 0.51 H new ATOM 0 HD11 LEU A 55 17.883 -3.014 4.932 1.00 0.48 H new ATOM 0 HD12 LEU A 55 19.383 -2.462 5.715 1.00 0.48 H new ATOM 0 HD13 LEU A 55 19.144 -2.206 3.970 1.00 0.48 H new ATOM 0 HD21 LEU A 55 17.954 -4.945 3.331 1.00 0.56 H new ATOM 0 HD22 LEU A 55 19.231 -4.128 2.399 1.00 0.56 H new ATOM 0 HD23 LEU A 55 19.496 -5.777 3.014 1.00 0.56 H new ATOM 874 N GLU A 56 23.256 -6.562 4.063 1.00 0.54 N ATOM 875 CA GLU A 56 24.555 -6.914 3.437 1.00 0.55 C ATOM 876 C GLU A 56 24.310 -7.485 2.045 1.00 0.57 C ATOM 877 O GLU A 56 24.906 -7.052 1.079 1.00 0.53 O ATOM 878 CB GLU A 56 25.301 -7.885 4.359 1.00 0.59 C ATOM 879 CG GLU A 56 26.443 -8.559 3.594 1.00 0.60 C ATOM 880 CD GLU A 56 27.377 -7.490 3.022 1.00 1.77 C ATOM 881 OE1 GLU A 56 28.002 -6.798 3.808 1.00 1.70 O ATOM 882 OE2 GLU A 56 27.453 -7.386 1.809 1.00 3.24 O ATOM 0 H GLU A 56 22.524 -7.271 4.026 1.00 0.54 H new ATOM 0 HA GLU A 56 25.183 -6.032 3.311 1.00 0.55 H new ATOM 0 HB2 GLU A 56 25.697 -7.349 5.222 1.00 0.59 H new ATOM 0 HB3 GLU A 56 24.613 -8.639 4.740 1.00 0.59 H new ATOM 0 HG2 GLU A 56 26.997 -9.223 4.258 1.00 0.60 H new ATOM 0 HG3 GLU A 56 26.042 -9.175 2.789 1.00 0.60 H new ATOM 889 N ASN A 57 23.398 -8.397 1.910 1.00 0.66 N ATOM 890 CA ASN A 57 23.090 -8.906 0.556 1.00 0.69 C ATOM 891 C ASN A 57 21.608 -8.685 0.301 1.00 0.69 C ATOM 892 O ASN A 57 21.076 -9.107 -0.706 1.00 0.72 O ATOM 893 CB ASN A 57 23.438 -10.387 0.397 1.00 0.70 C ATOM 894 CG ASN A 57 24.215 -10.579 -0.908 1.00 0.76 C ATOM 895 OD1 ASN A 57 25.429 -10.548 -0.914 1.00 0.70 O ATOM 896 ND2 ASN A 57 23.563 -10.773 -2.023 1.00 1.13 N ATOM 0 H ASN A 57 22.857 -8.808 2.671 1.00 0.66 H new ATOM 0 HA ASN A 57 23.698 -8.366 -0.170 1.00 0.69 H new ATOM 0 HB2 ASN A 57 24.034 -10.727 1.244 1.00 0.70 H new ATOM 0 HB3 ASN A 57 22.529 -10.988 0.386 1.00 0.70 H new ATOM 0 HD21 ASN A 57 24.073 -10.898 -2.897 1.00 1.13 H new ATOM 0 HD22 ASN A 57 22.543 -10.799 -2.020 1.00 1.13 H new ATOM 903 N LEU A 58 20.929 -7.971 1.174 1.00 0.78 N ATOM 904 CA LEU A 58 19.503 -7.697 0.889 1.00 0.72 C ATOM 905 C LEU A 58 19.520 -6.499 -0.038 1.00 0.48 C ATOM 906 O LEU A 58 19.701 -5.375 0.385 1.00 0.41 O ATOM 907 CB LEU A 58 18.728 -7.355 2.165 1.00 0.82 C ATOM 908 CG LEU A 58 17.846 -8.539 2.568 1.00 1.17 C ATOM 909 CD1 LEU A 58 16.899 -8.106 3.690 1.00 1.48 C ATOM 910 CD2 LEU A 58 17.015 -8.988 1.364 1.00 1.00 C ATOM 0 H LEU A 58 21.297 -7.582 2.042 1.00 0.78 H new ATOM 0 HA LEU A 58 19.011 -8.567 0.455 1.00 0.72 H new ATOM 0 HB2 LEU A 58 19.423 -7.116 2.970 1.00 0.82 H new ATOM 0 HB3 LEU A 58 18.113 -6.470 2.002 1.00 0.82 H new ATOM 0 HG LEU A 58 18.476 -9.360 2.909 1.00 1.17 H new ATOM 0 HD11 LEU A 58 16.269 -8.947 3.979 1.00 1.48 H new ATOM 0 HD12 LEU A 58 17.481 -7.776 4.550 1.00 1.48 H new ATOM 0 HD13 LEU A 58 16.271 -7.286 3.340 1.00 1.48 H new ATOM 0 HD21 LEU A 58 16.386 -9.831 1.650 1.00 1.00 H new ATOM 0 HD22 LEU A 58 16.386 -8.164 1.028 1.00 1.00 H new ATOM 0 HD23 LEU A 58 17.680 -9.289 0.555 1.00 1.00 H new ATOM 922 N TYR A 59 19.400 -6.731 -1.305 1.00 0.38 N ATOM 923 CA TYR A 59 19.483 -5.605 -2.260 1.00 0.27 C ATOM 924 C TYR A 59 18.110 -5.044 -2.546 1.00 0.26 C ATOM 925 O TYR A 59 17.222 -5.724 -3.019 1.00 0.59 O ATOM 926 CB TYR A 59 20.147 -6.098 -3.529 1.00 0.47 C ATOM 927 CG TYR A 59 21.628 -6.248 -3.250 1.00 0.47 C ATOM 928 CD1 TYR A 59 22.123 -6.105 -1.935 1.00 0.51 C ATOM 929 CD2 TYR A 59 22.509 -6.527 -4.301 1.00 0.62 C ATOM 930 CE1 TYR A 59 23.494 -6.245 -1.689 1.00 0.68 C ATOM 931 CE2 TYR A 59 23.880 -6.664 -4.049 1.00 0.82 C ATOM 932 CZ TYR A 59 24.373 -6.524 -2.745 1.00 0.84 C ATOM 933 OH TYR A 59 25.725 -6.663 -2.498 1.00 1.08 O ATOM 0 H TYR A 59 19.248 -7.650 -1.722 1.00 0.38 H new ATOM 0 HA TYR A 59 20.077 -4.798 -1.830 1.00 0.27 H new ATOM 0 HB2 TYR A 59 19.718 -7.051 -3.839 1.00 0.47 H new ATOM 0 HB3 TYR A 59 19.982 -5.394 -4.345 1.00 0.47 H new ATOM 0 HD1 TYR A 59 21.446 -5.888 -1.122 1.00 0.51 H new ATOM 0 HD2 TYR A 59 22.132 -6.637 -5.307 1.00 0.62 H new ATOM 0 HE1 TYR A 59 23.875 -6.138 -0.684 1.00 0.68 H new ATOM 0 HE2 TYR A 59 24.559 -6.878 -4.862 1.00 0.82 H new ATOM 0 HH TYR A 59 26.193 -6.856 -3.337 1.00 1.08 H new ATOM 943 N ILE A 60 17.940 -3.794 -2.253 1.00 0.18 N ATOM 944 CA ILE A 60 16.634 -3.148 -2.480 1.00 0.36 C ATOM 945 C ILE A 60 16.608 -2.559 -3.893 1.00 0.62 C ATOM 946 O ILE A 60 17.234 -1.557 -4.173 1.00 0.46 O ATOM 947 CB ILE A 60 16.461 -2.036 -1.434 1.00 0.51 C ATOM 948 CG1 ILE A 60 17.084 -2.485 -0.099 1.00 0.72 C ATOM 949 CG2 ILE A 60 14.973 -1.739 -1.233 1.00 0.39 C ATOM 950 CD1 ILE A 60 18.525 -1.974 -0.007 1.00 1.42 C ATOM 0 H ILE A 60 18.660 -3.187 -1.861 1.00 0.18 H new ATOM 0 HA ILE A 60 15.822 -3.868 -2.385 1.00 0.36 H new ATOM 0 HB ILE A 60 16.961 -1.133 -1.783 1.00 0.51 H new ATOM 0 HG12 ILE A 60 16.497 -2.101 0.735 1.00 0.72 H new ATOM 0 HG13 ILE A 60 17.068 -3.572 -0.026 1.00 0.72 H new ATOM 0 HG21 ILE A 60 14.857 -0.950 -0.490 1.00 0.39 H new ATOM 0 HG22 ILE A 60 14.536 -1.416 -2.178 1.00 0.39 H new ATOM 0 HG23 ILE A 60 14.466 -2.640 -0.888 1.00 0.39 H new ATOM 0 HD11 ILE A 60 18.964 -2.293 0.938 1.00 1.42 H new ATOM 0 HD12 ILE A 60 19.108 -2.380 -0.833 1.00 1.42 H new ATOM 0 HD13 ILE A 60 18.529 -0.885 -0.060 1.00 1.42 H new ATOM 962 N ALA A 61 15.885 -3.182 -4.781 1.00 1.05 N ATOM 963 CA ALA A 61 15.804 -2.675 -6.180 1.00 1.34 C ATOM 964 C ALA A 61 14.429 -2.031 -6.405 1.00 1.53 C ATOM 965 O ALA A 61 13.447 -2.722 -6.588 1.00 1.53 O ATOM 966 CB ALA A 61 15.987 -3.841 -7.154 1.00 1.33 C ATOM 0 H ALA A 61 15.343 -4.026 -4.597 1.00 1.05 H new ATOM 0 HA ALA A 61 16.586 -1.935 -6.349 1.00 1.34 H new ATOM 0 HB1 ALA A 61 15.928 -3.472 -8.178 1.00 1.33 H new ATOM 0 HB2 ALA A 61 16.961 -4.303 -6.990 1.00 1.33 H new ATOM 0 HB3 ALA A 61 15.203 -4.580 -6.989 1.00 1.33 H new ATOM 1243 N LYS A 78 20.724 0.397 6.847 1.00 1.97 N ATOM 1244 CA LYS A 78 21.396 -0.609 7.720 1.00 1.00 C ATOM 1245 C LYS A 78 20.411 -1.089 8.789 1.00 0.88 C ATOM 1246 O LYS A 78 20.051 -0.337 9.674 1.00 0.94 O ATOM 1247 CB LYS A 78 22.584 0.049 8.418 1.00 0.96 C ATOM 1248 CG LYS A 78 22.094 1.225 9.268 1.00 1.56 C ATOM 1249 CD LYS A 78 23.187 2.295 9.342 1.00 1.23 C ATOM 1250 CE LYS A 78 22.596 3.602 9.875 1.00 1.42 C ATOM 1251 NZ LYS A 78 21.841 3.336 11.133 1.00 2.33 N ATOM 0 HA LYS A 78 21.732 -1.450 7.114 1.00 1.00 H new ATOM 0 HB2 LYS A 78 23.098 -0.678 9.047 1.00 0.96 H new ATOM 0 HB3 LYS A 78 23.306 0.397 7.679 1.00 0.96 H new ATOM 0 HG2 LYS A 78 21.187 1.647 8.835 1.00 1.56 H new ATOM 0 HG3 LYS A 78 21.839 0.881 10.270 1.00 1.56 H new ATOM 0 HD2 LYS A 78 23.995 1.959 9.992 1.00 1.23 H new ATOM 0 HD3 LYS A 78 23.619 2.456 8.354 1.00 1.23 H new ATOM 0 HE2 LYS A 78 23.392 4.322 10.063 1.00 1.42 H new ATOM 0 HE3 LYS A 78 21.935 4.044 9.129 1.00 1.42 H new ATOM 0 HZ1 LYS A 78 21.689 4.230 11.642 1.00 2.33 H new ATOM 0 HZ2 LYS A 78 20.922 2.908 10.902 1.00 2.33 H new ATOM 0 HZ3 LYS A 78 22.385 2.684 11.733 1.00 2.33 H new ATOM 1265 N LEU A 79 19.968 -2.320 8.748 1.00 0.74 N ATOM 1266 CA LEU A 79 19.014 -2.764 9.819 1.00 0.70 C ATOM 1267 C LEU A 79 19.625 -2.447 11.196 1.00 0.61 C ATOM 1268 O LEU A 79 20.823 -2.428 11.361 1.00 0.56 O ATOM 1269 CB LEU A 79 18.784 -4.274 9.701 1.00 0.58 C ATOM 1270 CG LEU A 79 17.792 -4.575 8.572 1.00 1.44 C ATOM 1271 CD1 LEU A 79 17.958 -3.559 7.440 1.00 2.87 C ATOM 1272 CD2 LEU A 79 18.062 -5.982 8.030 1.00 1.23 C ATOM 0 H LEU A 79 20.213 -3.019 8.047 1.00 0.74 H new ATOM 0 HA LEU A 79 18.063 -2.242 9.707 1.00 0.70 H new ATOM 0 HB2 LEU A 79 19.730 -4.779 9.507 1.00 0.58 H new ATOM 0 HB3 LEU A 79 18.402 -4.665 10.644 1.00 0.58 H new ATOM 0 HG LEU A 79 16.776 -4.512 8.961 1.00 1.44 H new ATOM 0 HD11 LEU A 79 17.248 -3.783 6.643 1.00 2.87 H new ATOM 0 HD12 LEU A 79 17.771 -2.555 7.822 1.00 2.87 H new ATOM 0 HD13 LEU A 79 18.973 -3.614 7.047 1.00 2.87 H new ATOM 0 HD21 LEU A 79 17.360 -6.203 7.226 1.00 1.23 H new ATOM 0 HD22 LEU A 79 19.081 -6.035 7.646 1.00 1.23 H new ATOM 0 HD23 LEU A 79 17.938 -6.711 8.831 1.00 1.23 H new ATOM 1284 N LEU A 80 18.819 -2.192 12.191 1.00 0.59 N ATOM 1285 CA LEU A 80 19.390 -1.895 13.536 1.00 0.48 C ATOM 1286 C LEU A 80 19.055 -3.045 14.483 1.00 0.48 C ATOM 1287 O LEU A 80 17.912 -3.388 14.662 1.00 0.53 O ATOM 1288 CB LEU A 80 18.810 -0.588 14.075 1.00 0.44 C ATOM 1289 CG LEU A 80 19.824 0.536 13.856 1.00 0.32 C ATOM 1290 CD1 LEU A 80 19.137 1.894 14.010 1.00 0.32 C ATOM 1291 CD2 LEU A 80 20.950 0.414 14.885 1.00 0.21 C ATOM 0 H LEU A 80 17.801 -2.176 12.133 1.00 0.59 H new ATOM 0 HA LEU A 80 20.472 -1.788 13.458 1.00 0.48 H new ATOM 0 HB2 LEU A 80 17.874 -0.354 13.568 1.00 0.44 H new ATOM 0 HB3 LEU A 80 18.581 -0.687 15.136 1.00 0.44 H new ATOM 0 HG LEU A 80 20.237 0.456 12.850 1.00 0.32 H new ATOM 0 HD11 LEU A 80 19.865 2.690 13.853 1.00 0.32 H new ATOM 0 HD12 LEU A 80 18.338 1.983 13.274 1.00 0.32 H new ATOM 0 HD13 LEU A 80 18.718 1.978 15.013 1.00 0.32 H new ATOM 0 HD21 LEU A 80 21.673 1.215 14.730 1.00 0.21 H new ATOM 0 HD22 LEU A 80 20.534 0.490 15.890 1.00 0.21 H new ATOM 0 HD23 LEU A 80 21.446 -0.550 14.770 1.00 0.21 H new ATOM 1303 N LEU A 81 20.037 -3.647 15.091 1.00 0.44 N ATOM 1304 CA LEU A 81 19.761 -4.767 16.013 1.00 0.44 C ATOM 1305 C LEU A 81 20.250 -4.422 17.390 1.00 0.40 C ATOM 1306 O LEU A 81 21.348 -3.927 17.554 1.00 0.38 O ATOM 1307 CB LEU A 81 20.552 -6.004 15.591 1.00 0.44 C ATOM 1308 CG LEU A 81 19.595 -7.114 15.153 1.00 0.46 C ATOM 1309 CD1 LEU A 81 20.397 -8.365 14.797 1.00 0.35 C ATOM 1310 CD2 LEU A 81 18.628 -7.442 16.292 1.00 0.50 C ATOM 0 H LEU A 81 21.022 -3.406 14.984 1.00 0.44 H new ATOM 0 HA LEU A 81 18.687 -4.953 15.996 1.00 0.44 H new ATOM 0 HB2 LEU A 81 21.228 -5.752 14.774 1.00 0.44 H new ATOM 0 HB3 LEU A 81 21.169 -6.351 16.420 1.00 0.44 H new ATOM 0 HG LEU A 81 19.030 -6.779 14.283 1.00 0.46 H new ATOM 0 HD11 LEU A 81 19.716 -9.157 14.485 1.00 0.35 H new ATOM 0 HD12 LEU A 81 21.086 -8.137 13.983 1.00 0.35 H new ATOM 0 HD13 LEU A 81 20.962 -8.695 15.669 1.00 0.35 H new ATOM 0 HD21 LEU A 81 17.948 -8.233 15.976 1.00 0.50 H new ATOM 0 HD22 LEU A 81 19.192 -7.775 17.163 1.00 0.50 H new ATOM 0 HD23 LEU A 81 18.054 -6.552 16.550 1.00 0.50 H new ATOM 1322 N HIS A 82 19.507 -4.769 18.381 1.00 0.42 N ATOM 1323 CA HIS A 82 20.033 -4.558 19.742 1.00 0.38 C ATOM 1324 C HIS A 82 21.389 -5.233 19.661 1.00 0.32 C ATOM 1325 O HIS A 82 21.500 -6.310 19.115 1.00 0.36 O ATOM 1326 CB HIS A 82 19.152 -5.249 20.785 1.00 0.47 C ATOM 1327 CG HIS A 82 17.901 -4.444 20.996 1.00 0.64 C ATOM 1328 ND1 HIS A 82 16.687 -4.809 20.438 1.00 1.02 N ATOM 1329 CD2 HIS A 82 17.660 -3.289 21.698 1.00 1.16 C ATOM 1330 CE1 HIS A 82 15.777 -3.890 20.809 1.00 1.45 C ATOM 1331 NE2 HIS A 82 16.318 -2.941 21.579 1.00 1.49 N ATOM 0 H HIS A 82 18.576 -5.182 18.316 1.00 0.42 H new ATOM 0 HA HIS A 82 20.072 -3.510 20.039 1.00 0.38 H new ATOM 0 HB2 HIS A 82 18.898 -6.256 20.453 1.00 0.47 H new ATOM 0 HB3 HIS A 82 19.695 -5.351 21.725 1.00 0.47 H new ATOM 0 HD2 HIS A 82 18.399 -2.735 22.257 1.00 1.16 H new ATOM 0 HE1 HIS A 82 14.737 -3.916 20.520 1.00 1.45 H new ATOM 0 HE2 HIS A 82 15.848 -2.135 21.991 1.00 1.49 H new ATOM 1339 N LYS A 83 22.434 -4.610 20.078 1.00 0.33 N ATOM 1340 CA LYS A 83 23.747 -5.260 19.866 1.00 0.45 C ATOM 1341 C LYS A 83 23.787 -6.632 20.538 1.00 0.55 C ATOM 1342 O LYS A 83 24.391 -7.552 20.025 1.00 0.67 O ATOM 1343 CB LYS A 83 24.857 -4.371 20.423 1.00 0.59 C ATOM 1344 CG LYS A 83 26.213 -4.966 20.056 1.00 0.67 C ATOM 1345 CD LYS A 83 26.761 -5.776 21.236 1.00 0.79 C ATOM 1346 CE LYS A 83 27.615 -4.871 22.129 1.00 1.21 C ATOM 1347 NZ LYS A 83 29.060 -5.105 21.843 1.00 2.05 N ATOM 0 H LYS A 83 22.447 -3.703 20.545 1.00 0.33 H new ATOM 0 HA LYS A 83 23.898 -5.399 18.796 1.00 0.45 H new ATOM 0 HB2 LYS A 83 24.768 -3.363 20.019 1.00 0.59 H new ATOM 0 HB3 LYS A 83 24.764 -4.289 21.506 1.00 0.59 H new ATOM 0 HG2 LYS A 83 26.114 -5.605 19.179 1.00 0.67 H new ATOM 0 HG3 LYS A 83 26.911 -4.170 19.794 1.00 0.67 H new ATOM 0 HD2 LYS A 83 25.939 -6.200 21.812 1.00 0.79 H new ATOM 0 HD3 LYS A 83 27.358 -6.611 20.870 1.00 0.79 H new ATOM 0 HE2 LYS A 83 27.363 -3.825 21.951 1.00 1.21 H new ATOM 0 HE3 LYS A 83 27.404 -5.075 23.179 1.00 1.21 H new ATOM 0 HZ1 LYS A 83 29.634 -4.420 22.375 1.00 2.05 H new ATOM 0 HZ2 LYS A 83 29.319 -6.071 22.130 1.00 2.05 H new ATOM 0 HZ3 LYS A 83 29.236 -4.987 20.825 1.00 2.05 H new ATOM 1361 N HIS A 84 23.147 -6.804 21.655 1.00 0.54 N ATOM 1362 CA HIS A 84 23.168 -8.150 22.287 1.00 0.71 C ATOM 1363 C HIS A 84 22.571 -9.144 21.291 1.00 0.75 C ATOM 1364 O HIS A 84 22.994 -10.279 21.183 1.00 0.92 O ATOM 1365 CB HIS A 84 22.330 -8.141 23.565 1.00 0.74 C ATOM 1366 CG HIS A 84 21.661 -9.479 23.730 1.00 1.49 C ATOM 1367 ND1 HIS A 84 20.393 -9.740 23.235 1.00 3.12 N ATOM 1368 CD2 HIS A 84 22.075 -10.644 24.329 1.00 2.84 C ATOM 1369 CE1 HIS A 84 20.091 -11.014 23.542 1.00 4.75 C ATOM 1370 NE2 HIS A 84 21.083 -11.611 24.209 1.00 4.63 N ATOM 0 H HIS A 84 22.619 -6.087 22.152 1.00 0.54 H new ATOM 0 HA HIS A 84 24.190 -8.429 22.545 1.00 0.71 H new ATOM 0 HB2 HIS A 84 22.963 -7.929 24.427 1.00 0.74 H new ATOM 0 HB3 HIS A 84 21.581 -7.350 23.517 1.00 0.74 H new ATOM 0 HD2 HIS A 84 23.027 -10.787 24.819 1.00 2.84 H new ATOM 0 HE1 HIS A 84 19.160 -11.496 23.281 1.00 4.75 H new ATOM 0 HE2 HIS A 84 21.107 -12.570 24.556 1.00 4.63 H new ATOM 1378 N GLU A 85 21.582 -8.707 20.561 1.00 0.63 N ATOM 1379 CA GLU A 85 20.920 -9.584 19.555 1.00 0.69 C ATOM 1380 C GLU A 85 21.831 -9.805 18.346 1.00 0.62 C ATOM 1381 O GLU A 85 21.800 -10.846 17.720 1.00 0.68 O ATOM 1382 CB GLU A 85 19.633 -8.912 19.072 1.00 0.69 C ATOM 1383 CG GLU A 85 18.709 -8.656 20.263 1.00 0.85 C ATOM 1384 CD GLU A 85 18.008 -9.957 20.659 1.00 0.88 C ATOM 1385 OE1 GLU A 85 18.541 -11.011 20.352 1.00 0.88 O ATOM 1386 OE2 GLU A 85 16.951 -9.877 21.263 1.00 1.23 O ATOM 0 H GLU A 85 21.199 -7.764 20.621 1.00 0.63 H new ATOM 0 HA GLU A 85 20.704 -10.544 20.023 1.00 0.69 H new ATOM 0 HB2 GLU A 85 19.867 -7.972 18.572 1.00 0.69 H new ATOM 0 HB3 GLU A 85 19.132 -9.546 18.340 1.00 0.69 H new ATOM 0 HG2 GLU A 85 19.283 -8.270 21.105 1.00 0.85 H new ATOM 0 HG3 GLU A 85 17.970 -7.897 20.006 1.00 0.85 H new ATOM 1393 N LEU A 86 22.594 -8.816 17.971 1.00 0.51 N ATOM 1394 CA LEU A 86 23.446 -8.962 16.758 1.00 0.50 C ATOM 1395 C LEU A 86 24.426 -10.137 16.903 1.00 0.40 C ATOM 1396 O LEU A 86 24.517 -10.975 16.037 1.00 0.39 O ATOM 1397 CB LEU A 86 24.230 -7.659 16.571 1.00 0.57 C ATOM 1398 CG LEU A 86 24.989 -7.672 15.243 1.00 0.62 C ATOM 1399 CD1 LEU A 86 24.252 -8.541 14.221 1.00 0.71 C ATOM 1400 CD2 LEU A 86 25.078 -6.243 14.714 1.00 1.57 C ATOM 0 H LEU A 86 22.664 -7.918 18.449 1.00 0.51 H new ATOM 0 HA LEU A 86 22.812 -9.164 15.894 1.00 0.50 H new ATOM 0 HB2 LEU A 86 23.546 -6.810 16.597 1.00 0.57 H new ATOM 0 HB3 LEU A 86 24.931 -7.529 17.395 1.00 0.57 H new ATOM 0 HG LEU A 86 25.987 -8.081 15.402 1.00 0.62 H new ATOM 0 HD11 LEU A 86 24.802 -8.542 13.280 1.00 0.71 H new ATOM 0 HD12 LEU A 86 24.176 -9.561 14.598 1.00 0.71 H new ATOM 0 HD13 LEU A 86 23.252 -8.140 14.056 1.00 0.71 H new ATOM 0 HD21 LEU A 86 25.617 -6.239 13.767 1.00 1.57 H new ATOM 0 HD22 LEU A 86 24.073 -5.848 14.561 1.00 1.57 H new ATOM 0 HD23 LEU A 86 25.607 -5.620 15.436 1.00 1.57 H new ATOM 1412 N ARG A 87 25.166 -10.205 17.971 1.00 0.38 N ATOM 1413 CA ARG A 87 26.141 -11.332 18.133 1.00 0.36 C ATOM 1414 C ARG A 87 25.469 -12.671 18.511 1.00 0.35 C ATOM 1415 O ARG A 87 25.995 -13.723 18.217 1.00 0.32 O ATOM 1416 CB ARG A 87 27.164 -10.969 19.212 1.00 0.61 C ATOM 1417 CG ARG A 87 28.531 -11.530 18.812 1.00 1.14 C ATOM 1418 CD ARG A 87 29.342 -11.856 20.066 1.00 0.81 C ATOM 1419 NE ARG A 87 30.458 -12.775 19.704 1.00 1.06 N ATOM 1420 CZ ARG A 87 31.549 -12.792 20.418 1.00 1.56 C ATOM 1421 NH1 ARG A 87 31.509 -13.193 21.659 1.00 2.30 N ATOM 1422 NH2 ARG A 87 32.681 -12.409 19.892 1.00 2.46 N ATOM 0 H ARG A 87 25.143 -9.535 18.740 1.00 0.38 H new ATOM 0 HA ARG A 87 26.621 -11.473 17.165 1.00 0.36 H new ATOM 0 HB2 ARG A 87 27.221 -9.887 19.328 1.00 0.61 H new ATOM 0 HB3 ARG A 87 26.857 -11.377 20.175 1.00 0.61 H new ATOM 0 HG2 ARG A 87 28.403 -12.427 18.206 1.00 1.14 H new ATOM 0 HG3 ARG A 87 29.067 -10.805 18.199 1.00 1.14 H new ATOM 0 HD2 ARG A 87 29.737 -10.940 20.506 1.00 0.81 H new ATOM 0 HD3 ARG A 87 28.702 -12.320 20.817 1.00 0.81 H new ATOM 0 HE ARG A 87 30.368 -13.392 18.896 1.00 1.06 H new ATOM 0 HH11 ARG A 87 30.625 -13.493 22.070 1.00 2.30 H new ATOM 0 HH12 ARG A 87 32.362 -13.207 22.218 1.00 2.30 H new ATOM 0 HH21 ARG A 87 32.712 -12.096 18.922 1.00 2.46 H new ATOM 0 HH22 ARG A 87 33.534 -12.423 20.451 1.00 2.46 H new ATOM 1436 N ARG A 88 24.374 -12.659 19.232 1.00 0.46 N ATOM 1437 CA ARG A 88 23.768 -13.961 19.685 1.00 0.54 C ATOM 1438 C ARG A 88 23.146 -14.793 18.543 1.00 0.48 C ATOM 1439 O ARG A 88 23.400 -15.977 18.440 1.00 0.52 O ATOM 1440 CB ARG A 88 22.688 -13.665 20.725 1.00 0.69 C ATOM 1441 CG ARG A 88 22.934 -14.521 21.967 1.00 1.64 C ATOM 1442 CD ARG A 88 24.283 -14.147 22.586 1.00 2.80 C ATOM 1443 NE ARG A 88 24.878 -15.348 23.234 1.00 3.67 N ATOM 1444 CZ ARG A 88 26.174 -15.475 23.312 1.00 4.97 C ATOM 1445 NH1 ARG A 88 26.920 -15.219 22.271 1.00 5.81 N ATOM 1446 NH2 ARG A 88 26.725 -15.856 24.429 1.00 5.91 N ATOM 0 H ARG A 88 23.876 -11.819 19.526 1.00 0.46 H new ATOM 0 HA ARG A 88 24.581 -14.558 20.099 1.00 0.54 H new ATOM 0 HB2 ARG A 88 22.702 -12.608 20.990 1.00 0.69 H new ATOM 0 HB3 ARG A 88 21.702 -13.877 20.312 1.00 0.69 H new ATOM 0 HG2 ARG A 88 22.134 -14.368 22.692 1.00 1.64 H new ATOM 0 HG3 ARG A 88 22.925 -15.578 21.701 1.00 1.64 H new ATOM 0 HD2 ARG A 88 24.955 -13.764 21.818 1.00 2.80 H new ATOM 0 HD3 ARG A 88 24.151 -13.352 23.320 1.00 2.80 H new ATOM 0 HE ARG A 88 24.271 -16.073 23.618 1.00 3.67 H new ATOM 0 HH11 ARG A 88 26.489 -14.920 21.396 1.00 5.81 H new ATOM 0 HH12 ARG A 88 27.933 -15.319 22.333 1.00 5.81 H new ATOM 0 HH21 ARG A 88 26.143 -16.055 25.243 1.00 5.91 H new ATOM 0 HH22 ARG A 88 27.738 -15.955 24.490 1.00 5.91 H new ATOM 1460 N LEU A 89 22.328 -14.223 17.701 1.00 0.44 N ATOM 1461 CA LEU A 89 21.707 -15.045 16.607 1.00 0.52 C ATOM 1462 C LEU A 89 22.752 -15.307 15.527 1.00 0.40 C ATOM 1463 O LEU A 89 22.930 -16.413 15.056 1.00 0.52 O ATOM 1464 CB LEU A 89 20.516 -14.268 16.039 1.00 0.64 C ATOM 1465 CG LEU A 89 20.293 -14.544 14.542 1.00 0.83 C ATOM 1466 CD1 LEU A 89 21.331 -13.804 13.697 1.00 0.74 C ATOM 1467 CD2 LEU A 89 20.379 -16.041 14.269 1.00 0.97 C ATOM 0 H LEU A 89 22.062 -13.239 17.716 1.00 0.44 H new ATOM 0 HA LEU A 89 21.359 -16.005 16.989 1.00 0.52 H new ATOM 0 HB2 LEU A 89 19.615 -14.534 16.592 1.00 0.64 H new ATOM 0 HB3 LEU A 89 20.678 -13.201 16.188 1.00 0.64 H new ATOM 0 HG LEU A 89 19.301 -14.184 14.270 1.00 0.83 H new ATOM 0 HD11 LEU A 89 21.156 -14.012 12.641 1.00 0.74 H new ATOM 0 HD12 LEU A 89 21.247 -12.732 13.874 1.00 0.74 H new ATOM 0 HD13 LEU A 89 22.331 -14.140 13.972 1.00 0.74 H new ATOM 0 HD21 LEU A 89 20.220 -16.227 13.207 1.00 0.97 H new ATOM 0 HD22 LEU A 89 21.364 -16.408 14.558 1.00 0.97 H new ATOM 0 HD23 LEU A 89 19.615 -16.561 14.847 1.00 0.97 H new ATOM 1479 N LEU A 90 23.451 -14.287 15.159 1.00 0.27 N ATOM 1480 CA LEU A 90 24.512 -14.397 14.135 1.00 0.26 C ATOM 1481 C LEU A 90 25.661 -15.221 14.736 1.00 0.31 C ATOM 1482 O LEU A 90 26.440 -15.830 14.055 1.00 0.40 O ATOM 1483 CB LEU A 90 24.920 -12.974 13.717 1.00 0.38 C ATOM 1484 CG LEU A 90 26.383 -12.888 13.287 1.00 0.45 C ATOM 1485 CD1 LEU A 90 27.302 -13.038 14.500 1.00 0.81 C ATOM 1486 CD2 LEU A 90 26.670 -13.977 12.264 1.00 0.43 C ATOM 0 H LEU A 90 23.328 -13.348 15.537 1.00 0.27 H new ATOM 0 HA LEU A 90 24.183 -14.912 13.232 1.00 0.26 H new ATOM 0 HB2 LEU A 90 24.283 -12.643 12.896 1.00 0.38 H new ATOM 0 HB3 LEU A 90 24.748 -12.291 14.549 1.00 0.38 H new ATOM 0 HG LEU A 90 26.571 -11.914 12.836 1.00 0.45 H new ATOM 0 HD11 LEU A 90 28.342 -12.975 14.179 1.00 0.81 H new ATOM 0 HD12 LEU A 90 27.094 -12.242 15.215 1.00 0.81 H new ATOM 0 HD13 LEU A 90 27.126 -14.005 14.972 1.00 0.81 H new ATOM 0 HD21 LEU A 90 27.713 -13.919 11.954 1.00 0.43 H new ATOM 0 HD22 LEU A 90 26.477 -14.953 12.708 1.00 0.43 H new ATOM 0 HD23 LEU A 90 26.026 -13.839 11.396 1.00 0.43 H new ATOM 1498 N GLY A 91 25.804 -15.201 16.019 1.00 0.35 N ATOM 1499 CA GLY A 91 26.922 -15.957 16.650 1.00 0.48 C ATOM 1500 C GLY A 91 26.863 -17.479 16.351 1.00 0.51 C ATOM 1501 O GLY A 91 27.866 -18.154 16.478 1.00 0.68 O ATOM 0 H GLY A 91 25.199 -14.696 16.666 1.00 0.35 H new ATOM 0 HA2 GLY A 91 27.871 -15.558 16.293 1.00 0.48 H new ATOM 0 HA3 GLY A 91 26.896 -15.802 17.729 1.00 0.48 H new ATOM 1505 N LYS A 92 25.729 -18.059 15.995 1.00 0.47 N ATOM 1506 CA LYS A 92 25.726 -19.545 15.755 1.00 0.68 C ATOM 1507 C LYS A 92 26.085 -19.901 14.302 1.00 0.69 C ATOM 1508 O LYS A 92 26.580 -20.973 14.019 1.00 0.72 O ATOM 1509 CB LYS A 92 24.342 -20.103 16.079 1.00 0.79 C ATOM 1510 CG LYS A 92 24.362 -20.693 17.488 1.00 1.02 C ATOM 1511 CD LYS A 92 24.652 -19.582 18.499 1.00 2.83 C ATOM 1512 CE LYS A 92 24.051 -19.953 19.854 1.00 3.52 C ATOM 1513 NZ LYS A 92 23.341 -18.772 20.423 1.00 4.85 N ATOM 0 H LYS A 92 24.835 -17.585 15.864 1.00 0.47 H new ATOM 0 HA LYS A 92 26.484 -19.986 16.402 1.00 0.68 H new ATOM 0 HB2 LYS A 92 23.593 -19.314 16.012 1.00 0.79 H new ATOM 0 HB3 LYS A 92 24.065 -20.868 15.354 1.00 0.79 H new ATOM 0 HG2 LYS A 92 23.404 -21.162 17.711 1.00 1.02 H new ATOM 0 HG3 LYS A 92 25.122 -21.471 17.558 1.00 1.02 H new ATOM 0 HD2 LYS A 92 25.728 -19.435 18.595 1.00 2.83 H new ATOM 0 HD3 LYS A 92 24.232 -18.639 18.149 1.00 2.83 H new ATOM 0 HE2 LYS A 92 23.359 -20.787 19.741 1.00 3.52 H new ATOM 0 HE3 LYS A 92 24.837 -20.281 20.535 1.00 3.52 H new ATOM 0 HZ1 LYS A 92 23.493 -18.738 21.451 1.00 4.85 H new ATOM 0 HZ2 LYS A 92 23.711 -17.902 19.990 1.00 4.85 H new ATOM 0 HZ3 LYS A 92 22.323 -18.851 20.226 1.00 4.85 H new ATOM 1527 N VAL A 93 25.796 -19.034 13.381 1.00 0.65 N ATOM 1528 CA VAL A 93 26.059 -19.322 11.935 1.00 0.60 C ATOM 1529 C VAL A 93 27.536 -19.578 11.609 1.00 0.49 C ATOM 1530 O VAL A 93 27.871 -19.985 10.514 1.00 0.32 O ATOM 1531 CB VAL A 93 25.704 -18.093 11.157 1.00 0.67 C ATOM 1532 CG1 VAL A 93 24.187 -17.946 10.996 1.00 0.73 C ATOM 1533 CG2 VAL A 93 26.263 -16.915 11.918 1.00 0.84 C ATOM 0 H VAL A 93 25.381 -18.120 13.564 1.00 0.65 H new ATOM 0 HA VAL A 93 25.480 -20.212 11.689 1.00 0.60 H new ATOM 0 HB VAL A 93 26.122 -18.154 10.152 1.00 0.67 H new ATOM 0 HG11 VAL A 93 23.967 -17.043 10.426 1.00 0.73 H new ATOM 0 HG12 VAL A 93 23.791 -18.814 10.468 1.00 0.73 H new ATOM 0 HG13 VAL A 93 23.722 -17.877 11.979 1.00 0.73 H new ATOM 0 HG21 VAL A 93 26.028 -15.993 11.386 1.00 0.84 H new ATOM 0 HG22 VAL A 93 25.821 -16.882 12.914 1.00 0.84 H new ATOM 0 HG23 VAL A 93 27.345 -17.018 12.004 1.00 0.84 H new ATOM 1543 N GLU A 94 28.410 -19.279 12.496 1.00 0.74 N ATOM 1544 CA GLU A 94 29.869 -19.424 12.191 1.00 0.65 C ATOM 1545 C GLU A 94 30.212 -20.825 11.642 1.00 0.67 C ATOM 1546 O GLU A 94 31.287 -21.031 11.113 1.00 0.71 O ATOM 1547 CB GLU A 94 30.668 -19.168 13.471 1.00 1.15 C ATOM 1548 CG GLU A 94 31.756 -18.133 13.188 1.00 0.52 C ATOM 1549 CD GLU A 94 32.969 -18.826 12.564 1.00 2.25 C ATOM 1550 OE1 GLU A 94 33.074 -20.033 12.709 1.00 4.25 O ATOM 1551 OE2 GLU A 94 33.768 -18.139 11.952 1.00 2.24 O ATOM 0 H GLU A 94 28.195 -18.936 13.432 1.00 0.74 H new ATOM 0 HA GLU A 94 30.128 -18.699 11.420 1.00 0.65 H new ATOM 0 HB2 GLU A 94 30.007 -18.811 14.261 1.00 1.15 H new ATOM 0 HB3 GLU A 94 31.116 -20.096 13.826 1.00 1.15 H new ATOM 0 HG2 GLU A 94 31.376 -17.365 12.514 1.00 0.52 H new ATOM 0 HG3 GLU A 94 32.045 -17.632 14.112 1.00 0.52 H new ATOM 1558 N GLN A 95 29.334 -21.785 11.746 1.00 0.97 N ATOM 1559 CA GLN A 95 29.658 -23.148 11.211 1.00 1.45 C ATOM 1560 C GLN A 95 30.245 -23.060 9.788 1.00 1.49 C ATOM 1561 O GLN A 95 31.426 -22.837 9.613 1.00 1.59 O ATOM 1562 CB GLN A 95 28.395 -24.004 11.176 1.00 1.72 C ATOM 1563 CG GLN A 95 28.023 -24.425 12.595 1.00 1.57 C ATOM 1564 CD GLN A 95 27.344 -25.794 12.554 1.00 1.63 C ATOM 1565 OE1 GLN A 95 27.991 -26.810 12.712 1.00 2.20 O ATOM 1566 NE2 GLN A 95 26.058 -25.862 12.345 1.00 1.11 N ATOM 0 H GLN A 95 28.413 -21.691 12.174 1.00 0.97 H new ATOM 0 HA GLN A 95 30.399 -23.601 11.870 1.00 1.45 H new ATOM 0 HB2 GLN A 95 27.576 -23.443 10.726 1.00 1.72 H new ATOM 0 HB3 GLN A 95 28.558 -24.885 10.555 1.00 1.72 H new ATOM 0 HG2 GLN A 95 28.915 -24.467 13.220 1.00 1.57 H new ATOM 0 HG3 GLN A 95 27.355 -23.688 13.042 1.00 1.57 H new ATOM 0 HE21 GLN A 95 25.517 -25.008 12.213 1.00 1.11 H new ATOM 0 HE22 GLN A 95 25.594 -26.770 12.314 1.00 1.11 H new ATOM 1575 N LYS A 96 29.436 -23.254 8.769 1.00 1.54 N ATOM 1576 CA LYS A 96 29.955 -23.205 7.371 1.00 1.76 C ATOM 1577 C LYS A 96 28.866 -23.712 6.416 1.00 1.70 C ATOM 1578 O LYS A 96 28.343 -24.796 6.573 1.00 1.73 O ATOM 1579 CB LYS A 96 31.193 -24.096 7.253 1.00 2.28 C ATOM 1580 CG LYS A 96 32.446 -23.222 7.175 1.00 2.63 C ATOM 1581 CD LYS A 96 33.091 -23.379 5.798 1.00 3.88 C ATOM 1582 CE LYS A 96 32.745 -22.166 4.934 1.00 5.30 C ATOM 1583 NZ LYS A 96 34.001 -21.524 4.454 1.00 6.96 N ATOM 0 H LYS A 96 28.437 -23.444 8.851 1.00 1.54 H new ATOM 0 HA LYS A 96 30.224 -22.181 7.114 1.00 1.76 H new ATOM 0 HB2 LYS A 96 31.256 -24.764 8.112 1.00 2.28 H new ATOM 0 HB3 LYS A 96 31.119 -24.724 6.365 1.00 2.28 H new ATOM 0 HG2 LYS A 96 32.186 -22.178 7.350 1.00 2.63 H new ATOM 0 HG3 LYS A 96 33.152 -23.509 7.954 1.00 2.63 H new ATOM 0 HD2 LYS A 96 34.172 -23.471 5.899 1.00 3.88 H new ATOM 0 HD3 LYS A 96 32.737 -24.293 5.320 1.00 3.88 H new ATOM 0 HE2 LYS A 96 32.134 -22.473 4.085 1.00 5.30 H new ATOM 0 HE3 LYS A 96 32.156 -21.452 5.510 1.00 5.30 H new ATOM 0 HZ1 LYS A 96 33.766 -20.699 3.866 1.00 6.96 H new ATOM 0 HZ2 LYS A 96 34.568 -21.218 5.270 1.00 6.96 H new ATOM 0 HZ3 LYS A 96 34.546 -22.207 3.890 1.00 6.96 H new ATOM 1597 N GLY A 97 28.508 -22.919 5.444 1.00 1.63 N ATOM 1598 CA GLY A 97 27.430 -23.326 4.486 1.00 1.58 C ATOM 1599 C GLY A 97 26.119 -22.690 4.952 1.00 1.56 C ATOM 1600 O GLY A 97 25.165 -22.547 4.212 1.00 2.20 O ATOM 0 H GLY A 97 28.916 -22.001 5.268 1.00 1.63 H new ATOM 0 HA2 GLY A 97 27.674 -22.998 3.476 1.00 1.58 H new ATOM 0 HA3 GLY A 97 27.337 -24.412 4.455 1.00 1.58 H new ATOM 1604 N LEU A 98 26.100 -22.306 6.190 1.00 1.00 N ATOM 1605 CA LEU A 98 24.920 -21.660 6.816 1.00 0.88 C ATOM 1606 C LEU A 98 25.158 -20.134 6.800 1.00 0.44 C ATOM 1607 O LEU A 98 26.281 -19.695 6.653 1.00 0.50 O ATOM 1608 CB LEU A 98 24.803 -22.211 8.225 1.00 1.35 C ATOM 1609 CG LEU A 98 25.514 -21.301 9.170 1.00 1.74 C ATOM 1610 CD1 LEU A 98 24.593 -20.141 9.428 1.00 3.66 C ATOM 1611 CD2 LEU A 98 25.798 -22.059 10.465 1.00 1.31 C ATOM 0 H LEU A 98 26.892 -22.419 6.823 1.00 1.00 H new ATOM 0 HA LEU A 98 23.989 -21.862 6.286 1.00 0.88 H new ATOM 0 HB2 LEU A 98 23.754 -22.300 8.507 1.00 1.35 H new ATOM 0 HB3 LEU A 98 25.232 -23.212 8.273 1.00 1.35 H new ATOM 0 HG LEU A 98 26.463 -20.949 8.764 1.00 1.74 H new ATOM 0 HD11 LEU A 98 25.070 -19.444 10.117 1.00 3.66 H new ATOM 0 HD12 LEU A 98 24.377 -19.632 8.489 1.00 3.66 H new ATOM 0 HD13 LEU A 98 23.663 -20.505 9.866 1.00 3.66 H new ATOM 0 HD21 LEU A 98 26.318 -21.404 11.164 1.00 1.31 H new ATOM 0 HD22 LEU A 98 24.858 -22.389 10.907 1.00 1.31 H new ATOM 0 HD23 LEU A 98 26.421 -22.927 10.249 1.00 1.31 H new ATOM 1623 N THR A 99 24.134 -19.306 6.901 1.00 0.43 N ATOM 1624 CA THR A 99 24.402 -17.825 6.829 1.00 0.84 C ATOM 1625 C THR A 99 23.461 -17.004 7.716 1.00 0.61 C ATOM 1626 O THR A 99 22.619 -17.526 8.419 1.00 0.28 O ATOM 1627 CB THR A 99 24.214 -17.354 5.388 1.00 1.43 C ATOM 1628 OG1 THR A 99 23.982 -18.476 4.547 1.00 1.79 O ATOM 1629 CG2 THR A 99 25.475 -16.629 4.938 1.00 2.05 C ATOM 0 H THR A 99 23.159 -19.578 7.026 1.00 0.43 H new ATOM 0 HA THR A 99 25.422 -17.671 7.182 1.00 0.84 H new ATOM 0 HB THR A 99 23.360 -16.680 5.327 1.00 1.43 H new ATOM 0 HG1 THR A 99 23.860 -18.173 3.623 1.00 1.79 H new ATOM 0 HG21 THR A 99 25.352 -16.288 3.910 1.00 2.05 H new ATOM 0 HG22 THR A 99 25.652 -15.771 5.586 1.00 2.05 H new ATOM 0 HG23 THR A 99 26.325 -17.308 4.995 1.00 2.05 H new ATOM 1637 N LEU A 100 23.580 -15.692 7.624 1.00 0.84 N ATOM 1638 CA LEU A 100 22.694 -14.780 8.380 1.00 0.67 C ATOM 1639 C LEU A 100 21.902 -14.052 7.335 1.00 0.61 C ATOM 1640 O LEU A 100 22.439 -13.454 6.422 1.00 0.63 O ATOM 1641 CB LEU A 100 23.479 -13.730 9.206 1.00 0.59 C ATOM 1642 CG LEU A 100 24.936 -14.119 9.354 1.00 1.03 C ATOM 1643 CD1 LEU A 100 24.967 -15.487 9.973 1.00 3.48 C ATOM 1644 CD2 LEU A 100 25.671 -14.101 8.007 1.00 1.47 C ATOM 0 H LEU A 100 24.272 -15.221 7.041 1.00 0.84 H new ATOM 0 HA LEU A 100 22.090 -15.351 9.085 1.00 0.67 H new ATOM 0 HB2 LEU A 100 23.408 -12.757 8.721 1.00 0.59 H new ATOM 0 HB3 LEU A 100 23.026 -13.628 10.192 1.00 0.59 H new ATOM 0 HG LEU A 100 25.454 -13.398 9.986 1.00 1.03 H new ATOM 0 HD11 LEU A 100 26.002 -15.807 10.098 1.00 3.48 H new ATOM 0 HD12 LEU A 100 24.477 -15.457 10.946 1.00 3.48 H new ATOM 0 HD13 LEU A 100 24.445 -16.191 9.325 1.00 3.48 H new ATOM 0 HD21 LEU A 100 26.712 -14.386 8.157 1.00 1.47 H new ATOM 0 HD22 LEU A 100 25.197 -14.806 7.324 1.00 1.47 H new ATOM 0 HD23 LEU A 100 25.627 -13.098 7.582 1.00 1.47 H new ATOM 1656 N VAL A 101 20.641 -14.118 7.443 1.00 0.58 N ATOM 1657 CA VAL A 101 19.792 -13.451 6.438 1.00 0.65 C ATOM 1658 C VAL A 101 18.528 -12.873 7.087 1.00 0.55 C ATOM 1659 O VAL A 101 17.734 -13.611 7.632 1.00 0.49 O ATOM 1660 CB VAL A 101 19.415 -14.490 5.379 1.00 0.82 C ATOM 1661 CG1 VAL A 101 18.725 -15.679 6.052 1.00 1.32 C ATOM 1662 CG2 VAL A 101 18.469 -13.854 4.358 1.00 0.72 C ATOM 0 H VAL A 101 20.141 -14.606 8.186 1.00 0.58 H new ATOM 0 HA VAL A 101 20.336 -12.622 5.985 1.00 0.65 H new ATOM 0 HB VAL A 101 20.315 -14.837 4.871 1.00 0.82 H new ATOM 0 HG11 VAL A 101 18.457 -16.419 5.298 1.00 1.32 H new ATOM 0 HG12 VAL A 101 19.402 -16.130 6.777 1.00 1.32 H new ATOM 0 HG13 VAL A 101 17.824 -15.336 6.561 1.00 1.32 H new ATOM 0 HG21 VAL A 101 18.199 -14.592 3.603 1.00 0.72 H new ATOM 0 HG22 VAL A 101 17.568 -13.506 4.864 1.00 0.72 H new ATOM 0 HG23 VAL A 101 18.965 -13.010 3.879 1.00 0.72 H new ATOM 1672 N PRO A 102 18.344 -11.579 6.958 1.00 0.68 N ATOM 1673 CA PRO A 102 17.139 -10.900 7.472 1.00 0.67 C ATOM 1674 C PRO A 102 15.986 -11.276 6.527 1.00 0.90 C ATOM 1675 O PRO A 102 15.660 -10.557 5.602 1.00 1.58 O ATOM 1676 CB PRO A 102 17.492 -9.411 7.377 1.00 0.76 C ATOM 1677 CG PRO A 102 18.625 -9.298 6.332 1.00 0.96 C ATOM 1678 CD PRO A 102 19.305 -10.678 6.284 1.00 0.95 C ATOM 0 HA PRO A 102 16.845 -11.164 8.488 1.00 0.67 H new ATOM 0 HB2 PRO A 102 16.624 -8.825 7.074 1.00 0.76 H new ATOM 0 HB3 PRO A 102 17.816 -9.026 8.344 1.00 0.76 H new ATOM 0 HG2 PRO A 102 18.227 -9.026 5.354 1.00 0.96 H new ATOM 0 HG3 PRO A 102 19.338 -8.523 6.613 1.00 0.96 H new ATOM 0 HD2 PRO A 102 19.494 -10.993 5.258 1.00 0.95 H new ATOM 0 HD3 PRO A 102 20.267 -10.666 6.797 1.00 0.95 H new ATOM 1686 N LEU A 103 15.430 -12.445 6.711 1.00 0.36 N ATOM 1687 CA LEU A 103 14.362 -12.949 5.790 1.00 0.57 C ATOM 1688 C LEU A 103 13.047 -12.180 5.893 1.00 0.34 C ATOM 1689 O LEU A 103 12.278 -12.172 4.960 1.00 0.23 O ATOM 1690 CB LEU A 103 14.108 -14.425 6.091 1.00 1.00 C ATOM 1691 CG LEU A 103 15.448 -15.155 6.185 1.00 2.13 C ATOM 1692 CD1 LEU A 103 15.491 -16.000 7.461 1.00 2.54 C ATOM 1693 CD2 LEU A 103 15.616 -16.067 4.967 1.00 2.52 C ATOM 0 H LEU A 103 15.672 -13.082 7.470 1.00 0.36 H new ATOM 0 HA LEU A 103 14.726 -12.803 4.773 1.00 0.57 H new ATOM 0 HB2 LEU A 103 13.557 -14.529 7.026 1.00 1.00 H new ATOM 0 HB3 LEU A 103 13.493 -14.868 5.308 1.00 1.00 H new ATOM 0 HG LEU A 103 16.255 -14.423 6.211 1.00 2.13 H new ATOM 0 HD11 LEU A 103 16.448 -16.518 7.522 1.00 2.54 H new ATOM 0 HD12 LEU A 103 15.372 -15.353 8.330 1.00 2.54 H new ATOM 0 HD13 LEU A 103 14.683 -16.732 7.440 1.00 2.54 H new ATOM 0 HD21 LEU A 103 16.571 -16.589 5.032 1.00 2.52 H new ATOM 0 HD22 LEU A 103 14.806 -16.795 4.943 1.00 2.52 H new ATOM 0 HD23 LEU A 103 15.591 -15.467 4.057 1.00 2.52 H new ATOM 1705 N LYS A 104 12.733 -11.549 6.977 1.00 0.38 N ATOM 1706 CA LYS A 104 11.417 -10.854 6.992 1.00 0.31 C ATOM 1707 C LYS A 104 11.595 -9.356 7.199 1.00 0.29 C ATOM 1708 O LYS A 104 12.147 -8.917 8.184 1.00 0.49 O ATOM 1709 CB LYS A 104 10.565 -11.420 8.133 1.00 0.58 C ATOM 1710 CG LYS A 104 9.803 -12.658 7.651 1.00 1.08 C ATOM 1711 CD LYS A 104 8.482 -12.777 8.418 1.00 1.99 C ATOM 1712 CE LYS A 104 7.375 -12.054 7.647 1.00 0.81 C ATOM 1713 NZ LYS A 104 6.125 -12.864 7.698 1.00 0.45 N ATOM 0 H LYS A 104 13.298 -11.480 7.824 1.00 0.38 H new ATOM 0 HA LYS A 104 10.926 -11.017 6.032 1.00 0.31 H new ATOM 0 HB2 LYS A 104 11.201 -11.681 8.979 1.00 0.58 H new ATOM 0 HB3 LYS A 104 9.863 -10.664 8.484 1.00 0.58 H new ATOM 0 HG2 LYS A 104 9.609 -12.585 6.581 1.00 1.08 H new ATOM 0 HG3 LYS A 104 10.407 -13.552 7.805 1.00 1.08 H new ATOM 0 HD2 LYS A 104 8.220 -13.827 8.552 1.00 1.99 H new ATOM 0 HD3 LYS A 104 8.587 -12.346 9.413 1.00 1.99 H new ATOM 0 HE2 LYS A 104 7.200 -11.068 8.078 1.00 0.81 H new ATOM 0 HE3 LYS A 104 7.679 -11.899 6.612 1.00 0.81 H new ATOM 0 HZ1 LYS A 104 5.372 -12.374 7.174 1.00 0.45 H new ATOM 0 HZ2 LYS A 104 6.297 -13.795 7.267 1.00 0.45 H new ATOM 0 HZ3 LYS A 104 5.833 -12.990 8.688 1.00 0.45 H new ATOM 1727 N ILE A 105 11.107 -8.565 6.278 1.00 0.37 N ATOM 1728 CA ILE A 105 11.224 -7.087 6.427 1.00 0.50 C ATOM 1729 C ILE A 105 9.823 -6.451 6.402 1.00 0.51 C ATOM 1730 O ILE A 105 9.111 -6.531 5.423 1.00 0.66 O ATOM 1731 CB ILE A 105 12.061 -6.525 5.278 1.00 0.71 C ATOM 1732 CG1 ILE A 105 13.548 -6.794 5.554 1.00 0.95 C ATOM 1733 CG2 ILE A 105 11.820 -5.019 5.150 1.00 0.66 C ATOM 1734 CD1 ILE A 105 14.398 -5.640 5.008 1.00 0.71 C ATOM 0 H ILE A 105 10.634 -8.880 5.431 1.00 0.37 H new ATOM 0 HA ILE A 105 11.707 -6.856 7.377 1.00 0.50 H new ATOM 0 HB ILE A 105 11.772 -7.010 4.346 1.00 0.71 H new ATOM 0 HG12 ILE A 105 13.714 -6.904 6.626 1.00 0.95 H new ATOM 0 HG13 ILE A 105 13.850 -7.732 5.087 1.00 0.95 H new ATOM 0 HG21 ILE A 105 12.419 -4.623 4.330 1.00 0.66 H new ATOM 0 HG22 ILE A 105 10.764 -4.835 4.950 1.00 0.66 H new ATOM 0 HG23 ILE A 105 12.105 -4.525 6.079 1.00 0.66 H new ATOM 0 HD11 ILE A 105 15.451 -5.838 5.207 1.00 0.71 H new ATOM 0 HD12 ILE A 105 14.243 -5.551 3.933 1.00 0.71 H new ATOM 0 HD13 ILE A 105 14.105 -4.710 5.495 1.00 0.71 H new ATOM 1746 N TYR A 106 9.445 -5.798 7.472 1.00 0.45 N ATOM 1747 CA TYR A 106 8.115 -5.115 7.537 1.00 0.41 C ATOM 1748 C TYR A 106 8.392 -3.636 7.783 1.00 0.31 C ATOM 1749 O TYR A 106 9.335 -3.298 8.463 1.00 0.25 O ATOM 1750 CB TYR A 106 7.284 -5.678 8.691 1.00 0.47 C ATOM 1751 CG TYR A 106 6.178 -6.549 8.144 1.00 0.55 C ATOM 1752 CD1 TYR A 106 6.377 -7.276 6.965 1.00 1.07 C ATOM 1753 CD2 TYR A 106 4.954 -6.630 8.819 1.00 0.57 C ATOM 1754 CE1 TYR A 106 5.352 -8.083 6.461 1.00 1.13 C ATOM 1755 CE2 TYR A 106 3.928 -7.438 8.314 1.00 0.63 C ATOM 1756 CZ TYR A 106 4.129 -8.165 7.134 1.00 0.73 C ATOM 1757 OH TYR A 106 3.121 -8.962 6.633 1.00 0.83 O ATOM 0 H TYR A 106 10.010 -5.708 8.316 1.00 0.45 H new ATOM 0 HA TYR A 106 7.557 -5.269 6.613 1.00 0.41 H new ATOM 0 HB2 TYR A 106 7.919 -6.258 9.360 1.00 0.47 H new ATOM 0 HB3 TYR A 106 6.861 -4.863 9.279 1.00 0.47 H new ATOM 0 HD1 TYR A 106 7.321 -7.214 6.445 1.00 1.07 H new ATOM 0 HD2 TYR A 106 4.801 -6.069 9.729 1.00 0.57 H new ATOM 0 HE1 TYR A 106 5.505 -8.644 5.551 1.00 1.13 H new ATOM 0 HE2 TYR A 106 2.983 -7.500 8.834 1.00 0.63 H new ATOM 0 HH TYR A 106 2.338 -8.908 7.220 1.00 0.83 H new ATOM 1767 N PHE A 107 7.637 -2.743 7.212 1.00 0.30 N ATOM 1768 CA PHE A 107 7.972 -1.304 7.419 1.00 0.21 C ATOM 1769 C PHE A 107 6.751 -0.436 7.761 1.00 0.25 C ATOM 1770 O PHE A 107 5.633 -0.728 7.387 1.00 0.33 O ATOM 1771 CB PHE A 107 8.630 -0.785 6.144 1.00 0.24 C ATOM 1772 CG PHE A 107 10.114 -0.675 6.380 1.00 0.18 C ATOM 1773 CD1 PHE A 107 10.896 -1.832 6.470 1.00 0.30 C ATOM 1774 CD2 PHE A 107 10.705 0.583 6.516 1.00 0.23 C ATOM 1775 CE1 PHE A 107 12.274 -1.730 6.693 1.00 0.42 C ATOM 1776 CE2 PHE A 107 12.086 0.687 6.741 1.00 0.18 C ATOM 1777 CZ PHE A 107 12.869 -0.470 6.827 1.00 0.31 C ATOM 0 H PHE A 107 6.824 -2.935 6.626 1.00 0.30 H new ATOM 0 HA PHE A 107 8.642 -1.236 8.276 1.00 0.21 H new ATOM 0 HB2 PHE A 107 8.428 -1.460 5.312 1.00 0.24 H new ATOM 0 HB3 PHE A 107 8.217 0.187 5.873 1.00 0.24 H new ATOM 0 HD1 PHE A 107 10.436 -2.804 6.367 1.00 0.30 H new ATOM 0 HD2 PHE A 107 10.100 1.475 6.448 1.00 0.23 H new ATOM 0 HE1 PHE A 107 12.878 -2.623 6.762 1.00 0.42 H new ATOM 0 HE2 PHE A 107 12.544 1.659 6.848 1.00 0.18 H new ATOM 0 HZ PHE A 107 13.933 -0.391 6.997 1.00 0.31 H new ATOM 1787 N ASN A 108 6.985 0.655 8.460 1.00 0.21 N ATOM 1788 CA ASN A 108 5.877 1.593 8.827 1.00 0.26 C ATOM 1789 C ASN A 108 6.447 3.012 8.971 1.00 0.25 C ATOM 1790 O ASN A 108 7.583 3.199 9.356 1.00 0.23 O ATOM 1791 CB ASN A 108 5.237 1.155 10.146 1.00 0.24 C ATOM 1792 CG ASN A 108 4.215 0.047 9.875 1.00 0.45 C ATOM 1793 OD1 ASN A 108 3.096 0.319 9.494 1.00 0.26 O ATOM 1794 ND2 ASN A 108 4.556 -1.200 10.061 1.00 0.96 N ATOM 0 H ASN A 108 7.907 0.935 8.794 1.00 0.21 H new ATOM 0 HA ASN A 108 5.116 1.581 8.047 1.00 0.26 H new ATOM 0 HB2 ASN A 108 6.004 0.797 10.833 1.00 0.24 H new ATOM 0 HB3 ASN A 108 4.750 2.004 10.626 1.00 0.24 H new ATOM 0 HD21 ASN A 108 3.881 -1.945 9.886 1.00 0.96 H new ATOM 0 HD22 ASN A 108 5.497 -1.429 10.381 1.00 0.96 H new ATOM 1801 N GLU A 109 5.665 4.006 8.635 1.00 0.33 N ATOM 1802 CA GLU A 109 6.149 5.423 8.700 1.00 0.39 C ATOM 1803 C GLU A 109 6.506 5.839 10.129 1.00 0.33 C ATOM 1804 O GLU A 109 7.108 6.872 10.344 1.00 0.48 O ATOM 1805 CB GLU A 109 5.043 6.345 8.185 1.00 0.45 C ATOM 1806 CG GLU A 109 3.821 6.215 9.095 1.00 2.41 C ATOM 1807 CD GLU A 109 2.583 6.747 8.373 1.00 2.45 C ATOM 1808 OE1 GLU A 109 2.735 7.262 7.278 1.00 2.32 O ATOM 1809 OE2 GLU A 109 1.503 6.628 8.927 1.00 2.76 O ATOM 0 H GLU A 109 4.703 3.898 8.315 1.00 0.33 H new ATOM 0 HA GLU A 109 7.048 5.501 8.088 1.00 0.39 H new ATOM 0 HB2 GLU A 109 5.391 7.378 8.168 1.00 0.45 H new ATOM 0 HB3 GLU A 109 4.779 6.081 7.161 1.00 0.45 H new ATOM 0 HG2 GLU A 109 3.672 5.172 9.373 1.00 2.41 H new ATOM 0 HG3 GLU A 109 3.982 6.771 10.019 1.00 2.41 H new ATOM 1816 N ARG A 110 6.152 5.064 11.109 1.00 0.17 N ATOM 1817 CA ARG A 110 6.491 5.452 12.507 1.00 0.20 C ATOM 1818 C ARG A 110 7.925 5.028 12.830 1.00 0.38 C ATOM 1819 O ARG A 110 8.297 4.916 13.981 1.00 0.50 O ATOM 1820 CB ARG A 110 5.537 4.765 13.485 1.00 0.20 C ATOM 1821 CG ARG A 110 4.223 5.544 13.557 1.00 0.98 C ATOM 1822 CD ARG A 110 3.077 4.646 13.093 1.00 2.08 C ATOM 1823 NE ARG A 110 2.906 3.522 14.057 1.00 3.11 N ATOM 1824 CZ ARG A 110 2.191 2.482 13.726 1.00 4.20 C ATOM 1825 NH1 ARG A 110 2.301 1.969 12.532 1.00 4.74 N ATOM 1826 NH2 ARG A 110 1.364 1.959 14.588 1.00 4.91 N ATOM 0 H ARG A 110 5.646 4.184 11.008 1.00 0.17 H new ATOM 0 HA ARG A 110 6.397 6.534 12.603 1.00 0.20 H new ATOM 0 HB2 ARG A 110 5.347 3.741 13.164 1.00 0.20 H new ATOM 0 HB3 ARG A 110 5.992 4.709 14.474 1.00 0.20 H new ATOM 0 HG2 ARG A 110 4.044 5.884 14.577 1.00 0.98 H new ATOM 0 HG3 ARG A 110 4.280 6.434 12.930 1.00 0.98 H new ATOM 0 HD2 ARG A 110 2.155 5.222 13.022 1.00 2.08 H new ATOM 0 HD3 ARG A 110 3.286 4.256 12.097 1.00 2.08 H new ATOM 0 HE ARG A 110 3.348 3.566 14.975 1.00 3.11 H new ATOM 0 HH11 ARG A 110 2.946 2.381 11.857 1.00 4.74 H new ATOM 0 HH12 ARG A 110 1.742 1.156 12.273 1.00 4.74 H new ATOM 0 HH21 ARG A 110 1.276 2.363 15.520 1.00 4.91 H new ATOM 0 HH22 ARG A 110 0.805 1.146 14.330 1.00 4.91 H new ATOM 1840 N GLY A 111 8.732 4.760 11.837 1.00 0.45 N ATOM 1841 CA GLY A 111 10.118 4.313 12.132 1.00 0.65 C ATOM 1842 C GLY A 111 10.017 2.944 12.775 1.00 0.68 C ATOM 1843 O GLY A 111 10.840 2.548 13.577 1.00 0.90 O ATOM 0 H GLY A 111 8.493 4.831 10.848 1.00 0.45 H new ATOM 0 HA2 GLY A 111 10.711 4.267 11.218 1.00 0.65 H new ATOM 0 HA3 GLY A 111 10.616 5.016 12.799 1.00 0.65 H new ATOM 1847 N TYR A 112 8.998 2.217 12.416 1.00 0.54 N ATOM 1848 CA TYR A 112 8.821 0.866 12.987 1.00 0.72 C ATOM 1849 C TYR A 112 8.826 -0.150 11.853 1.00 0.54 C ATOM 1850 O TYR A 112 7.858 -0.320 11.138 1.00 0.47 O ATOM 1851 CB TYR A 112 7.474 0.805 13.710 1.00 0.91 C ATOM 1852 CG TYR A 112 7.685 0.882 15.202 1.00 1.16 C ATOM 1853 CD1 TYR A 112 8.176 2.059 15.780 1.00 1.35 C ATOM 1854 CD2 TYR A 112 7.382 -0.221 16.010 1.00 1.32 C ATOM 1855 CE1 TYR A 112 8.365 2.133 17.166 1.00 1.70 C ATOM 1856 CE2 TYR A 112 7.572 -0.148 17.395 1.00 1.70 C ATOM 1857 CZ TYR A 112 8.063 1.028 17.973 1.00 1.89 C ATOM 1858 OH TYR A 112 8.250 1.099 19.338 1.00 2.29 O ATOM 0 H TYR A 112 8.281 2.506 11.750 1.00 0.54 H new ATOM 0 HA TYR A 112 9.626 0.646 13.688 1.00 0.72 H new ATOM 0 HB2 TYR A 112 6.838 1.627 13.381 1.00 0.91 H new ATOM 0 HB3 TYR A 112 6.957 -0.120 13.455 1.00 0.91 H new ATOM 0 HD1 TYR A 112 8.409 2.910 15.157 1.00 1.35 H new ATOM 0 HD2 TYR A 112 7.002 -1.128 15.564 1.00 1.32 H new ATOM 0 HE1 TYR A 112 8.743 3.041 17.612 1.00 1.70 H new ATOM 0 HE2 TYR A 112 7.340 -0.999 18.017 1.00 1.70 H new ATOM 0 HH TYR A 112 7.991 0.248 19.748 1.00 2.29 H new ATOM 1868 N ALA A 113 9.903 -0.852 11.720 1.00 0.56 N ATOM 1869 CA ALA A 113 10.004 -1.902 10.681 1.00 0.40 C ATOM 1870 C ALA A 113 10.366 -3.183 11.410 1.00 0.53 C ATOM 1871 O ALA A 113 11.212 -3.177 12.281 1.00 0.65 O ATOM 1872 CB ALA A 113 11.086 -1.539 9.658 1.00 0.28 C ATOM 0 H ALA A 113 10.736 -0.742 12.298 1.00 0.56 H new ATOM 0 HA ALA A 113 9.069 -2.011 10.132 1.00 0.40 H new ATOM 0 HB1 ALA A 113 11.148 -2.321 8.901 1.00 0.28 H new ATOM 0 HB2 ALA A 113 10.833 -0.592 9.182 1.00 0.28 H new ATOM 0 HB3 ALA A 113 12.048 -1.446 10.163 1.00 0.28 H new ATOM 1878 N LYS A 114 9.746 -4.279 11.107 1.00 0.55 N ATOM 1879 CA LYS A 114 10.114 -5.505 11.866 1.00 0.68 C ATOM 1880 C LYS A 114 11.056 -6.354 11.025 1.00 0.56 C ATOM 1881 O LYS A 114 10.812 -6.615 9.869 1.00 0.44 O ATOM 1882 CB LYS A 114 8.850 -6.316 12.185 1.00 0.84 C ATOM 1883 CG LYS A 114 7.757 -5.390 12.728 1.00 1.49 C ATOM 1884 CD LYS A 114 7.832 -5.351 14.256 1.00 1.23 C ATOM 1885 CE LYS A 114 6.426 -5.493 14.848 1.00 0.94 C ATOM 1886 NZ LYS A 114 5.442 -4.778 13.984 1.00 2.07 N ATOM 0 H LYS A 114 9.025 -4.385 10.394 1.00 0.55 H new ATOM 0 HA LYS A 114 10.605 -5.220 12.796 1.00 0.68 H new ATOM 0 HB2 LYS A 114 8.496 -6.822 11.287 1.00 0.84 H new ATOM 0 HB3 LYS A 114 9.080 -7.090 12.917 1.00 0.84 H new ATOM 0 HG2 LYS A 114 7.881 -4.386 12.322 1.00 1.49 H new ATOM 0 HG3 LYS A 114 6.776 -5.743 12.411 1.00 1.49 H new ATOM 0 HD2 LYS A 114 8.472 -6.155 14.619 1.00 1.23 H new ATOM 0 HD3 LYS A 114 8.282 -4.414 14.583 1.00 1.23 H new ATOM 0 HE2 LYS A 114 6.158 -6.547 14.925 1.00 0.94 H new ATOM 0 HE3 LYS A 114 6.403 -5.083 15.858 1.00 0.94 H new ATOM 0 HZ1 LYS A 114 4.622 -4.491 14.556 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 5.890 -3.934 13.572 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 5.127 -5.410 13.220 1.00 2.07 H new ATOM 1900 N VAL A 115 12.137 -6.797 11.601 1.00 0.62 N ATOM 1901 CA VAL A 115 13.085 -7.631 10.819 1.00 0.50 C ATOM 1902 C VAL A 115 13.392 -8.925 11.565 1.00 0.36 C ATOM 1903 O VAL A 115 13.869 -8.918 12.681 1.00 0.24 O ATOM 1904 CB VAL A 115 14.385 -6.863 10.582 1.00 0.53 C ATOM 1905 CG1 VAL A 115 15.574 -7.761 10.924 1.00 0.86 C ATOM 1906 CG2 VAL A 115 14.468 -6.458 9.110 1.00 1.06 C ATOM 0 H VAL A 115 12.402 -6.619 12.570 1.00 0.62 H new ATOM 0 HA VAL A 115 12.624 -7.871 9.861 1.00 0.50 H new ATOM 0 HB VAL A 115 14.405 -5.973 11.212 1.00 0.53 H new ATOM 0 HG11 VAL A 115 16.502 -7.215 10.756 1.00 0.86 H new ATOM 0 HG12 VAL A 115 15.514 -8.061 11.970 1.00 0.86 H new ATOM 0 HG13 VAL A 115 15.554 -8.648 10.290 1.00 0.86 H new ATOM 0 HG21 VAL A 115 15.394 -5.910 8.935 1.00 1.06 H new ATOM 0 HG22 VAL A 115 14.452 -7.351 8.485 1.00 1.06 H new ATOM 0 HG23 VAL A 115 13.618 -5.824 8.859 1.00 1.06 H new ATOM 1916 N LEU A 116 13.133 -10.038 10.948 1.00 0.38 N ATOM 1917 CA LEU A 116 13.419 -11.337 11.605 1.00 0.27 C ATOM 1918 C LEU A 116 14.489 -12.062 10.795 1.00 0.34 C ATOM 1919 O LEU A 116 14.291 -12.377 9.638 1.00 0.73 O ATOM 1920 CB LEU A 116 12.149 -12.187 11.637 1.00 0.47 C ATOM 1921 CG LEU A 116 12.308 -13.295 12.679 1.00 0.83 C ATOM 1922 CD1 LEU A 116 11.885 -12.764 14.049 1.00 2.05 C ATOM 1923 CD2 LEU A 116 11.425 -14.485 12.297 1.00 0.84 C ATOM 0 H LEU A 116 12.733 -10.104 10.012 1.00 0.38 H new ATOM 0 HA LEU A 116 13.764 -11.170 12.625 1.00 0.27 H new ATOM 0 HB2 LEU A 116 11.287 -11.565 11.880 1.00 0.47 H new ATOM 0 HB3 LEU A 116 11.963 -12.620 10.654 1.00 0.47 H new ATOM 0 HG LEU A 116 13.349 -13.615 12.717 1.00 0.83 H new ATOM 0 HD11 LEU A 116 11.997 -13.551 14.795 1.00 2.05 H new ATOM 0 HD12 LEU A 116 12.513 -11.915 14.320 1.00 2.05 H new ATOM 0 HD13 LEU A 116 10.843 -12.446 14.010 1.00 2.05 H new ATOM 0 HD21 LEU A 116 11.538 -15.275 13.039 1.00 0.84 H new ATOM 0 HD22 LEU A 116 10.383 -14.168 12.260 1.00 0.84 H new ATOM 0 HD23 LEU A 116 11.724 -14.861 11.319 1.00 0.84 H new ATOM 1935 N LEU A 117 15.622 -12.334 11.378 1.00 0.24 N ATOM 1936 CA LEU A 117 16.675 -13.038 10.602 1.00 0.46 C ATOM 1937 C LEU A 117 16.647 -14.509 10.934 1.00 0.13 C ATOM 1938 O LEU A 117 16.348 -14.904 12.044 1.00 0.34 O ATOM 1939 CB LEU A 117 18.061 -12.502 10.938 1.00 1.00 C ATOM 1940 CG LEU A 117 19.105 -13.444 10.338 1.00 0.86 C ATOM 1941 CD1 LEU A 117 20.286 -12.624 9.820 1.00 2.32 C ATOM 1942 CD2 LEU A 117 19.581 -14.440 11.401 1.00 2.70 C ATOM 0 H LEU A 117 15.861 -12.103 12.342 1.00 0.24 H new ATOM 0 HA LEU A 117 16.475 -12.874 9.543 1.00 0.46 H new ATOM 0 HB2 LEU A 117 18.185 -11.496 10.538 1.00 1.00 H new ATOM 0 HB3 LEU A 117 18.189 -12.434 12.018 1.00 1.00 H new ATOM 0 HG LEU A 117 18.662 -14.000 9.512 1.00 0.86 H new ATOM 0 HD11 LEU A 117 21.033 -13.292 9.391 1.00 2.32 H new ATOM 0 HD12 LEU A 117 19.939 -11.929 9.055 1.00 2.32 H new ATOM 0 HD13 LEU A 117 20.730 -12.065 10.644 1.00 2.32 H new ATOM 0 HD21 LEU A 117 20.325 -15.108 10.967 1.00 2.70 H new ATOM 0 HD22 LEU A 117 20.024 -13.897 12.236 1.00 2.70 H new ATOM 0 HD23 LEU A 117 18.733 -15.024 11.758 1.00 2.70 H new ATOM 1954 N GLY A 118 16.961 -15.330 9.985 1.00 0.12 N ATOM 1955 CA GLY A 118 16.951 -16.770 10.263 1.00 0.25 C ATOM 1956 C GLY A 118 18.306 -17.382 9.932 1.00 0.29 C ATOM 1957 O GLY A 118 18.677 -17.527 8.784 1.00 0.37 O ATOM 0 H GLY A 118 17.222 -15.064 9.036 1.00 0.12 H new ATOM 0 HA2 GLY A 118 16.713 -16.943 11.313 1.00 0.25 H new ATOM 0 HA3 GLY A 118 16.172 -17.255 9.675 1.00 0.25 H new ATOM 1961 N LEU A 119 19.016 -17.806 10.933 1.00 0.38 N ATOM 1962 CA LEU A 119 20.308 -18.480 10.689 1.00 0.38 C ATOM 1963 C LEU A 119 19.932 -19.889 10.304 1.00 0.41 C ATOM 1964 O LEU A 119 19.338 -20.611 11.073 1.00 0.47 O ATOM 1965 CB LEU A 119 21.183 -18.449 11.961 1.00 0.43 C ATOM 1966 CG LEU A 119 21.663 -19.862 12.382 1.00 0.54 C ATOM 1967 CD1 LEU A 119 22.297 -20.624 11.217 1.00 0.53 C ATOM 1968 CD2 LEU A 119 22.707 -19.727 13.494 1.00 0.58 C ATOM 0 H LEU A 119 18.753 -17.713 11.914 1.00 0.38 H new ATOM 0 HA LEU A 119 20.898 -17.995 9.912 1.00 0.38 H new ATOM 0 HB2 LEU A 119 22.049 -17.811 11.787 1.00 0.43 H new ATOM 0 HB3 LEU A 119 20.616 -18.002 12.778 1.00 0.43 H new ATOM 0 HG LEU A 119 20.790 -20.418 12.723 1.00 0.54 H new ATOM 0 HD11 LEU A 119 22.618 -21.608 11.558 1.00 0.53 H new ATOM 0 HD12 LEU A 119 21.566 -20.738 10.416 1.00 0.53 H new ATOM 0 HD13 LEU A 119 23.159 -20.069 10.845 1.00 0.53 H new ATOM 0 HD21 LEU A 119 23.049 -20.717 13.795 1.00 0.58 H new ATOM 0 HD22 LEU A 119 23.554 -19.146 13.129 1.00 0.58 H new ATOM 0 HD23 LEU A 119 22.262 -19.221 14.351 1.00 0.58 H new ATOM 1980 N ALA A 120 20.234 -20.280 9.115 1.00 0.38 N ATOM 1981 CA ALA A 120 19.847 -21.633 8.683 1.00 0.36 C ATOM 1982 C ALA A 120 21.078 -22.491 8.596 1.00 0.27 C ATOM 1983 O ALA A 120 22.041 -22.113 7.979 1.00 0.17 O ATOM 1984 CB ALA A 120 19.230 -21.544 7.303 1.00 0.38 C ATOM 0 H ALA A 120 20.732 -19.722 8.422 1.00 0.38 H new ATOM 0 HA ALA A 120 19.139 -22.060 9.393 1.00 0.36 H new ATOM 0 HB1 ALA A 120 18.938 -22.540 6.970 1.00 0.38 H new ATOM 0 HB2 ALA A 120 18.350 -20.901 7.338 1.00 0.38 H new ATOM 0 HB3 ALA A 120 19.957 -21.127 6.606 1.00 0.38 H new ATOM 1990 N ARG A 121 21.046 -23.657 9.158 1.00 0.30 N ATOM 1991 CA ARG A 121 22.240 -24.523 9.046 1.00 0.28 C ATOM 1992 C ARG A 121 22.001 -25.430 7.835 1.00 0.24 C ATOM 1993 O ARG A 121 21.149 -26.277 7.852 1.00 0.24 O ATOM 1994 CB ARG A 121 22.392 -25.361 10.323 1.00 0.38 C ATOM 1995 CG ARG A 121 21.011 -25.678 10.904 1.00 0.50 C ATOM 1996 CD ARG A 121 21.144 -26.688 12.049 1.00 0.62 C ATOM 1997 NE ARG A 121 19.796 -27.218 12.400 1.00 1.27 N ATOM 1998 CZ ARG A 121 19.442 -28.416 12.019 1.00 0.49 C ATOM 1999 NH1 ARG A 121 19.811 -28.865 10.850 1.00 1.41 N ATOM 2000 NH2 ARG A 121 18.718 -29.166 12.804 1.00 1.60 N ATOM 0 H ARG A 121 20.261 -24.044 9.681 1.00 0.30 H new ATOM 0 HA ARG A 121 23.152 -23.940 8.922 1.00 0.28 H new ATOM 0 HB2 ARG A 121 22.924 -26.286 10.101 1.00 0.38 H new ATOM 0 HB3 ARG A 121 22.989 -24.818 11.056 1.00 0.38 H new ATOM 0 HG2 ARG A 121 20.541 -24.764 11.267 1.00 0.50 H new ATOM 0 HG3 ARG A 121 20.364 -26.081 10.125 1.00 0.50 H new ATOM 0 HD2 ARG A 121 21.803 -27.505 11.754 1.00 0.62 H new ATOM 0 HD3 ARG A 121 21.597 -26.212 12.918 1.00 0.62 H new ATOM 0 HE ARG A 121 19.148 -26.644 12.939 1.00 1.27 H new ATOM 0 HH11 ARG A 121 20.376 -28.280 10.234 1.00 1.41 H new ATOM 0 HH12 ARG A 121 19.534 -29.801 10.553 1.00 1.41 H new ATOM 0 HH21 ARG A 121 18.427 -28.817 13.717 1.00 1.60 H new ATOM 0 HH22 ARG A 121 18.443 -30.101 12.504 1.00 1.60 H new ATOM 2014 N GLY A 122 22.724 -25.254 6.770 1.00 0.22 N ATOM 2015 CA GLY A 122 22.460 -26.107 5.570 1.00 0.25 C ATOM 2016 C GLY A 122 22.594 -27.585 5.940 1.00 0.31 C ATOM 2017 O GLY A 122 22.118 -28.455 5.239 1.00 0.44 O ATOM 0 H GLY A 122 23.475 -24.571 6.672 1.00 0.22 H new ATOM 0 HA2 GLY A 122 21.459 -25.909 5.186 1.00 0.25 H new ATOM 0 HA3 GLY A 122 23.162 -25.858 4.774 1.00 0.25 H new