USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 866 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 96:sc= 0.863 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -3.52! C(o=-2.7!,f=-2.8!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= -0.113 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.00816 USER MOD Set 3.1: A 48 GLN : amide:sc= -0.204 X(o=1.1,f=1) USER MOD Set 3.2: A 52 SER OG : rot 82:sc= 1.3 USER MOD Set 4.1: A 29 GLN : amide:sc= 0.355 K(o=0.41,f=-5.3!) USER MOD Set 4.2: A 33 THR OG1 : rot 180:sc= 0.0582 USER MOD Set 5.1: A 11 CYS SG : rot 1:sc= 0.456 USER MOD Set 5.2: A 92 SER OG : rot -104:sc= 1.26 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.3) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 1.48 (180deg=1.36) USER MOD Single : A 18 HIS : no HD1:sc= 0.607 K(o=0.61,f=-2.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 21 SER OG : rot 71:sc= 0.845 USER MOD Single : A 25 SER OG : rot -58:sc= 1.04 USER MOD Single : A 26 SER OG : rot -170:sc= 1.36 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0727 K(o=-0.073,f=-3.1!) USER MOD Single : A 46 TYR OH : rot -67:sc= 1.17 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0408 (180deg=-0.334) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.153 USER MOD Single : A 62 SER OG : rot 87:sc= 0.841 USER MOD Single : A 63 GLN : amide:sc= -0.95 K(o=-0.95,f=0) USER MOD Single : A 65 SER OG : rot 137:sc= 0.2 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0471 (180deg=-0.221) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.793 K(o=-0.79,f=-5.5!) USER MOD Single : A 84 MET CE :methyl 178:sc= -0.97 (180deg=-0.972) USER MOD Single : A 85 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.1!) USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.13) USER MOD Single : A 97 THR OG1 : rot -44:sc= 0.481 USER MOD Single : A 100 MET CE :methyl 138:sc= -1.23 (180deg=-2.14!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 108 SER OG : rot 69:sc= 1.25 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 1.503 19.970 -0.836 1.00 34.14 N ATOM 86 CA ALA A 7 1.873 19.345 0.420 1.00 23.03 C ATOM 87 C ALA A 7 0.821 18.322 0.818 1.00 70.34 C ATOM 88 O ALA A 7 1.052 17.465 1.678 1.00 41.32 O ATOM 89 CB ALA A 7 2.042 20.393 1.506 1.00 11.21 C ATOM 0 HA ALA A 7 2.827 18.833 0.293 1.00 23.03 H new ATOM 0 HB1 ALA A 7 2.319 19.906 2.441 1.00 11.21 H new ATOM 0 HB2 ALA A 7 2.824 21.095 1.216 1.00 11.21 H new ATOM 0 HB3 ALA A 7 1.104 20.931 1.641 1.00 11.21 H new ATOM 95 N ARG A 8 -0.340 18.431 0.189 1.00 63.23 N ATOM 96 CA ARG A 8 -1.430 17.508 0.414 1.00 3.13 C ATOM 97 C ARG A 8 -1.588 16.590 -0.782 1.00 73.23 C ATOM 98 O ARG A 8 -1.871 17.045 -1.896 1.00 74.24 O ATOM 99 CB ARG A 8 -2.740 18.255 0.664 1.00 70.42 C ATOM 100 CG ARG A 8 -2.754 19.079 1.934 1.00 40.31 C ATOM 101 CD ARG A 8 -4.100 19.751 2.133 1.00 72.23 C ATOM 102 NE ARG A 8 -4.146 20.522 3.369 1.00 33.32 N ATOM 103 CZ ARG A 8 -5.235 21.131 3.837 1.00 62.40 C ATOM 104 NH1 ARG A 8 -6.378 21.064 3.169 1.00 45.03 N ATOM 105 NH2 ARG A 8 -5.176 21.810 4.975 1.00 42.22 N ATOM 0 H ARG A 8 -0.548 19.163 -0.490 1.00 63.23 H new ATOM 0 HA ARG A 8 -1.195 16.917 1.299 1.00 3.13 H new ATOM 0 HB2 ARG A 8 -2.938 18.911 -0.183 1.00 70.42 H new ATOM 0 HB3 ARG A 8 -3.555 17.532 0.705 1.00 70.42 H new ATOM 0 HG2 ARG A 8 -2.533 18.440 2.789 1.00 40.31 H new ATOM 0 HG3 ARG A 8 -1.970 19.835 1.890 1.00 40.31 H new ATOM 0 HD2 ARG A 8 -4.306 20.408 1.288 1.00 72.23 H new ATOM 0 HD3 ARG A 8 -4.885 18.995 2.148 1.00 72.23 H new ATOM 0 HE ARG A 8 -3.286 20.601 3.913 1.00 33.32 H new ATOM 0 HH11 ARG A 8 -6.427 20.545 2.293 1.00 45.03 H new ATOM 0 HH12 ARG A 8 -7.209 21.532 3.531 1.00 45.03 H new ATOM 0 HH21 ARG A 8 -4.298 21.866 5.491 1.00 42.22 H new ATOM 0 HH22 ARG A 8 -6.009 22.277 5.334 1.00 42.22 H new ATOM 119 N VAL A 9 -1.400 15.314 -0.559 1.00 53.32 N ATOM 120 CA VAL A 9 -1.522 14.329 -1.614 1.00 73.24 C ATOM 121 C VAL A 9 -2.527 13.260 -1.225 1.00 33.24 C ATOM 122 O VAL A 9 -2.703 12.962 -0.040 1.00 50.01 O ATOM 123 CB VAL A 9 -0.160 13.665 -1.951 1.00 54.03 C ATOM 124 CG1 VAL A 9 0.798 14.679 -2.557 1.00 5.51 C ATOM 125 CG2 VAL A 9 0.454 13.025 -0.710 1.00 23.13 C ATOM 0 H VAL A 9 -1.159 14.926 0.353 1.00 53.32 H new ATOM 0 HA VAL A 9 -1.869 14.853 -2.504 1.00 73.24 H new ATOM 0 HB VAL A 9 -0.340 12.880 -2.686 1.00 54.03 H new ATOM 0 HG11 VAL A 9 1.746 14.192 -2.786 1.00 5.51 H new ATOM 0 HG12 VAL A 9 0.368 15.084 -3.473 1.00 5.51 H new ATOM 0 HG13 VAL A 9 0.968 15.489 -1.847 1.00 5.51 H new ATOM 0 HG21 VAL A 9 1.408 12.566 -0.971 1.00 23.13 H new ATOM 0 HG22 VAL A 9 0.615 13.788 0.051 1.00 23.13 H new ATOM 0 HG23 VAL A 9 -0.221 12.262 -0.322 1.00 23.13 H new ATOM 135 N ARG A 10 -3.207 12.710 -2.208 1.00 23.21 N ATOM 136 CA ARG A 10 -4.162 11.652 -1.958 1.00 44.43 C ATOM 137 C ARG A 10 -3.577 10.325 -2.356 1.00 31.12 C ATOM 138 O ARG A 10 -3.409 10.045 -3.543 1.00 70.12 O ATOM 139 CB ARG A 10 -5.466 11.886 -2.712 1.00 55.42 C ATOM 140 CG ARG A 10 -6.481 10.772 -2.505 1.00 64.43 C ATOM 141 CD ARG A 10 -7.797 11.085 -3.175 1.00 45.25 C ATOM 142 NE ARG A 10 -8.797 10.049 -2.930 1.00 11.52 N ATOM 143 CZ ARG A 10 -10.005 10.025 -3.498 1.00 42.34 C ATOM 144 NH1 ARG A 10 -10.358 10.980 -4.363 1.00 13.14 N ATOM 145 NH2 ARG A 10 -10.857 9.056 -3.194 1.00 4.42 N ATOM 0 H ARG A 10 -3.116 12.978 -3.188 1.00 23.21 H new ATOM 0 HA ARG A 10 -4.384 11.649 -0.891 1.00 44.43 H new ATOM 0 HB2 ARG A 10 -5.902 12.831 -2.389 1.00 55.42 H new ATOM 0 HB3 ARG A 10 -5.252 11.981 -3.776 1.00 55.42 H new ATOM 0 HG2 ARG A 10 -6.083 9.838 -2.903 1.00 64.43 H new ATOM 0 HG3 ARG A 10 -6.643 10.621 -1.438 1.00 64.43 H new ATOM 0 HD2 ARG A 10 -8.170 12.042 -2.811 1.00 45.25 H new ATOM 0 HD3 ARG A 10 -7.641 11.191 -4.249 1.00 45.25 H new ATOM 0 HE ARG A 10 -8.557 9.297 -2.284 1.00 11.52 H new ATOM 0 HH11 ARG A 10 -9.704 11.729 -4.590 1.00 13.14 H new ATOM 0 HH12 ARG A 10 -11.281 10.960 -4.796 1.00 13.14 H new ATOM 0 HH21 ARG A 10 -10.589 8.332 -2.528 1.00 4.42 H new ATOM 0 HH22 ARG A 10 -11.781 9.035 -3.626 1.00 4.42 H new ATOM 159 N CYS A 11 -3.267 9.513 -1.381 1.00 74.14 N ATOM 160 CA CYS A 11 -2.690 8.224 -1.644 1.00 12.12 C ATOM 161 C CYS A 11 -3.443 7.126 -0.922 1.00 54.10 C ATOM 162 O CYS A 11 -3.767 7.243 0.266 1.00 62.43 O ATOM 163 CB CYS A 11 -1.221 8.200 -1.235 1.00 32.02 C ATOM 164 SG CYS A 11 -0.189 9.408 -2.091 1.00 61.04 S ATOM 0 H CYS A 11 -3.406 9.724 -0.393 1.00 74.14 H new ATOM 0 HA CYS A 11 -2.764 8.043 -2.716 1.00 12.12 H new ATOM 0 HB2 CYS A 11 -1.152 8.377 -0.162 1.00 32.02 H new ATOM 0 HB3 CYS A 11 -0.821 7.203 -1.420 1.00 32.02 H new ATOM 0 HG CYS A 11 -0.922 10.103 -2.909 1.00 61.04 H new ATOM 170 N SER A 12 -3.742 6.081 -1.646 1.00 51.30 N ATOM 171 CA SER A 12 -4.380 4.925 -1.094 1.00 41.34 C ATOM 172 C SER A 12 -3.307 3.881 -0.802 1.00 51.00 C ATOM 173 O SER A 12 -2.343 3.760 -1.561 1.00 4.12 O ATOM 174 CB SER A 12 -5.405 4.388 -2.088 1.00 54.52 C ATOM 175 OG SER A 12 -6.213 5.437 -2.599 1.00 43.42 O ATOM 0 H SER A 12 -3.546 6.011 -2.645 1.00 51.30 H new ATOM 0 HA SER A 12 -4.901 5.175 -0.170 1.00 41.34 H new ATOM 0 HB2 SER A 12 -4.893 3.885 -2.909 1.00 54.52 H new ATOM 0 HB3 SER A 12 -6.034 3.643 -1.601 1.00 54.52 H new ATOM 0 HG SER A 12 -6.862 5.070 -3.235 1.00 43.42 H new ATOM 181 N HIS A 13 -3.449 3.143 0.290 1.00 3.30 N ATOM 182 CA HIS A 13 -2.420 2.180 0.664 1.00 12.21 C ATOM 183 C HIS A 13 -2.979 0.817 1.059 1.00 23.22 C ATOM 184 O HIS A 13 -3.883 0.711 1.885 1.00 53.53 O ATOM 185 CB HIS A 13 -1.493 2.740 1.776 1.00 63.54 C ATOM 186 CG HIS A 13 -2.157 3.054 3.108 1.00 64.35 C ATOM 187 ND1 HIS A 13 -1.442 3.231 4.276 1.00 14.11 N ATOM 188 CD2 HIS A 13 -3.458 3.236 3.446 1.00 1.15 C ATOM 189 CE1 HIS A 13 -2.273 3.505 5.262 1.00 31.41 C ATOM 190 NE2 HIS A 13 -3.500 3.513 4.785 1.00 55.31 N ATOM 0 H HIS A 13 -4.249 3.189 0.922 1.00 3.30 H new ATOM 0 HA HIS A 13 -1.826 2.020 -0.236 1.00 12.21 H new ATOM 0 HB2 HIS A 13 -0.695 2.019 1.952 1.00 63.54 H new ATOM 0 HB3 HIS A 13 -1.023 3.651 1.404 1.00 63.54 H new ATOM 0 HD2 HIS A 13 -4.306 3.174 2.780 1.00 1.15 H new ATOM 0 HE1 HIS A 13 -1.994 3.692 6.289 1.00 31.41 H new ATOM 0 HE2 HIS A 13 -4.345 3.696 5.326 1.00 55.31 H new ATOM 199 N LEU A 14 -2.428 -0.212 0.449 1.00 75.24 N ATOM 200 CA LEU A 14 -2.756 -1.592 0.774 1.00 2.21 C ATOM 201 C LEU A 14 -1.572 -2.182 1.535 1.00 32.23 C ATOM 202 O LEU A 14 -0.428 -1.851 1.232 1.00 53.41 O ATOM 203 CB LEU A 14 -3.040 -2.383 -0.528 1.00 12.31 C ATOM 204 CG LEU A 14 -3.567 -3.828 -0.380 1.00 23.32 C ATOM 205 CD1 LEU A 14 -4.310 -4.246 -1.639 1.00 4.40 C ATOM 206 CD2 LEU A 14 -2.426 -4.806 -0.117 1.00 72.22 C ATOM 0 H LEU A 14 -1.734 -0.117 -0.293 1.00 75.24 H new ATOM 0 HA LEU A 14 -3.652 -1.648 1.393 1.00 2.21 H new ATOM 0 HB2 LEU A 14 -3.765 -1.818 -1.114 1.00 12.31 H new ATOM 0 HB3 LEU A 14 -2.118 -2.418 -1.109 1.00 12.31 H new ATOM 0 HG LEU A 14 -4.247 -3.850 0.471 1.00 23.32 H new ATOM 0 HD11 LEU A 14 -4.677 -5.266 -1.523 1.00 4.40 H new ATOM 0 HD12 LEU A 14 -5.152 -3.574 -1.805 1.00 4.40 H new ATOM 0 HD13 LEU A 14 -3.634 -4.198 -2.493 1.00 4.40 H new ATOM 0 HD21 LEU A 14 -2.827 -5.815 -0.017 1.00 72.22 H new ATOM 0 HD22 LEU A 14 -1.722 -4.776 -0.949 1.00 72.22 H new ATOM 0 HD23 LEU A 14 -1.913 -4.527 0.803 1.00 72.22 H new ATOM 218 N LEU A 15 -1.833 -3.017 2.525 1.00 72.14 N ATOM 219 CA LEU A 15 -0.757 -3.596 3.326 1.00 43.43 C ATOM 220 C LEU A 15 -0.800 -5.112 3.319 1.00 75.53 C ATOM 221 O LEU A 15 -1.859 -5.712 3.489 1.00 4.21 O ATOM 222 CB LEU A 15 -0.817 -3.084 4.775 1.00 25.34 C ATOM 223 CG LEU A 15 0.152 -3.757 5.771 1.00 61.31 C ATOM 224 CD1 LEU A 15 1.594 -3.592 5.330 1.00 50.41 C ATOM 225 CD2 LEU A 15 -0.037 -3.199 7.171 1.00 10.14 C ATOM 0 H LEU A 15 -2.771 -3.311 2.796 1.00 72.14 H new ATOM 0 HA LEU A 15 0.182 -3.280 2.871 1.00 43.43 H new ATOM 0 HB2 LEU A 15 -0.615 -2.013 4.770 1.00 25.34 H new ATOM 0 HB3 LEU A 15 -1.834 -3.215 5.144 1.00 25.34 H new ATOM 0 HG LEU A 15 -0.080 -4.822 5.787 1.00 61.31 H new ATOM 0 HD11 LEU A 15 2.253 -4.076 6.051 1.00 50.41 H new ATOM 0 HD12 LEU A 15 1.729 -4.050 4.350 1.00 50.41 H new ATOM 0 HD13 LEU A 15 1.837 -2.531 5.271 1.00 50.41 H new ATOM 0 HD21 LEU A 15 0.657 -3.689 7.855 1.00 10.14 H new ATOM 0 HD22 LEU A 15 0.157 -2.126 7.164 1.00 10.14 H new ATOM 0 HD23 LEU A 15 -1.060 -3.381 7.500 1.00 10.14 H new ATOM 237 N VAL A 16 0.356 -5.718 3.118 1.00 3.13 N ATOM 238 CA VAL A 16 0.489 -7.156 3.170 1.00 45.45 C ATOM 239 C VAL A 16 1.442 -7.552 4.302 1.00 61.23 C ATOM 240 O VAL A 16 2.523 -6.954 4.472 1.00 22.35 O ATOM 241 CB VAL A 16 1.004 -7.741 1.821 1.00 70.13 C ATOM 242 CG1 VAL A 16 2.400 -7.233 1.502 1.00 0.21 C ATOM 243 CG2 VAL A 16 0.984 -9.264 1.844 1.00 43.22 C ATOM 0 H VAL A 16 1.226 -5.225 2.915 1.00 3.13 H new ATOM 0 HA VAL A 16 -0.501 -7.571 3.357 1.00 45.45 H new ATOM 0 HB VAL A 16 0.330 -7.401 1.035 1.00 70.13 H new ATOM 0 HG11 VAL A 16 2.734 -7.657 0.555 1.00 0.21 H new ATOM 0 HG12 VAL A 16 2.383 -6.146 1.426 1.00 0.21 H new ATOM 0 HG13 VAL A 16 3.086 -7.531 2.295 1.00 0.21 H new ATOM 0 HG21 VAL A 16 1.348 -9.647 0.891 1.00 43.22 H new ATOM 0 HG22 VAL A 16 1.625 -9.624 2.649 1.00 43.22 H new ATOM 0 HG23 VAL A 16 -0.036 -9.612 2.009 1.00 43.22 H new ATOM 253 N LYS A 17 1.033 -8.514 5.098 1.00 11.03 N ATOM 254 CA LYS A 17 1.876 -9.007 6.166 1.00 31.21 C ATOM 255 C LYS A 17 2.720 -10.168 5.673 1.00 30.44 C ATOM 256 O LYS A 17 2.384 -10.820 4.686 1.00 63.24 O ATOM 257 CB LYS A 17 1.046 -9.432 7.384 1.00 73.34 C ATOM 258 CG LYS A 17 0.418 -8.278 8.158 1.00 63.22 C ATOM 259 CD LYS A 17 1.478 -7.360 8.755 1.00 10.13 C ATOM 260 CE LYS A 17 0.853 -6.261 9.605 1.00 73.23 C ATOM 261 NZ LYS A 17 0.189 -6.799 10.823 1.00 34.21 N ATOM 0 H LYS A 17 0.124 -8.971 5.027 1.00 11.03 H new ATOM 0 HA LYS A 17 2.533 -8.195 6.477 1.00 31.21 H new ATOM 0 HB2 LYS A 17 0.254 -10.103 7.051 1.00 73.34 H new ATOM 0 HB3 LYS A 17 1.683 -10.002 8.060 1.00 73.34 H new ATOM 0 HG2 LYS A 17 -0.229 -7.704 7.495 1.00 63.22 H new ATOM 0 HG3 LYS A 17 -0.212 -8.674 8.955 1.00 63.22 H new ATOM 0 HD2 LYS A 17 2.166 -7.946 9.365 1.00 10.13 H new ATOM 0 HD3 LYS A 17 2.065 -6.912 7.954 1.00 10.13 H new ATOM 0 HE2 LYS A 17 1.624 -5.549 9.899 1.00 73.23 H new ATOM 0 HE3 LYS A 17 0.124 -5.713 9.008 1.00 73.23 H new ATOM 0 HZ1 LYS A 17 -0.102 -6.011 11.436 1.00 34.21 H new ATOM 0 HZ2 LYS A 17 -0.648 -7.351 10.547 1.00 34.21 H new ATOM 0 HZ3 LYS A 17 0.853 -7.412 11.338 1.00 34.21 H new ATOM 275 N HIS A 18 3.814 -10.421 6.359 1.00 35.50 N ATOM 276 CA HIS A 18 4.709 -11.501 5.997 1.00 34.33 C ATOM 277 C HIS A 18 5.203 -12.195 7.246 1.00 22.50 C ATOM 278 O HIS A 18 5.154 -11.616 8.331 1.00 70.42 O ATOM 279 CB HIS A 18 5.883 -11.000 5.121 1.00 11.42 C ATOM 280 CG HIS A 18 6.607 -9.794 5.655 1.00 55.21 C ATOM 281 ND1 HIS A 18 7.877 -9.848 6.179 1.00 54.23 N ATOM 282 CD2 HIS A 18 6.238 -8.490 5.714 1.00 33.41 C ATOM 283 CE1 HIS A 18 8.254 -8.636 6.540 1.00 75.12 C ATOM 284 NE2 HIS A 18 7.282 -7.799 6.267 1.00 32.35 N ATOM 0 H HIS A 18 4.107 -9.888 7.178 1.00 35.50 H new ATOM 0 HA HIS A 18 4.157 -12.222 5.394 1.00 34.33 H new ATOM 0 HB2 HIS A 18 6.600 -11.812 5.002 1.00 11.42 H new ATOM 0 HB3 HIS A 18 5.501 -10.765 4.128 1.00 11.42 H new ATOM 0 HD2 HIS A 18 5.297 -8.075 5.386 1.00 33.41 H new ATOM 0 HE1 HIS A 18 9.203 -8.377 6.985 1.00 75.12 H new ATOM 0 HE2 HIS A 18 7.301 -6.794 6.439 1.00 32.35 H new ATOM 293 N SER A 19 5.649 -13.439 7.086 1.00 61.42 N ATOM 294 CA SER A 19 6.109 -14.275 8.196 1.00 14.22 C ATOM 295 C SER A 19 7.004 -13.505 9.174 1.00 74.43 C ATOM 296 O SER A 19 6.669 -13.366 10.355 1.00 14.22 O ATOM 297 CB SER A 19 6.841 -15.513 7.658 1.00 74.25 C ATOM 298 OG SER A 19 7.233 -16.377 8.709 1.00 13.05 O ATOM 0 H SER A 19 5.702 -13.900 6.177 1.00 61.42 H new ATOM 0 HA SER A 19 5.227 -14.591 8.753 1.00 14.22 H new ATOM 0 HB2 SER A 19 6.192 -16.050 6.966 1.00 74.25 H new ATOM 0 HB3 SER A 19 7.720 -15.202 7.094 1.00 74.25 H new ATOM 0 HG SER A 19 7.695 -17.157 8.336 1.00 13.05 H new ATOM 304 N GLN A 20 8.112 -12.987 8.682 1.00 22.13 N ATOM 305 CA GLN A 20 9.039 -12.261 9.527 1.00 71.34 C ATOM 306 C GLN A 20 8.730 -10.770 9.526 1.00 60.21 C ATOM 307 O GLN A 20 9.494 -9.964 8.997 1.00 43.40 O ATOM 308 CB GLN A 20 10.476 -12.515 9.080 1.00 12.02 C ATOM 309 CG GLN A 20 10.889 -13.974 9.169 1.00 42.43 C ATOM 310 CD GLN A 20 12.287 -14.214 8.650 1.00 43.32 C ATOM 311 OE1 GLN A 20 12.752 -13.527 7.742 1.00 24.24 O ATOM 312 NE2 GLN A 20 12.970 -15.188 9.223 1.00 24.21 N ATOM 0 H GLN A 20 8.392 -13.055 7.704 1.00 22.13 H new ATOM 0 HA GLN A 20 8.924 -12.624 10.548 1.00 71.34 H new ATOM 0 HB2 GLN A 20 10.594 -12.174 8.051 1.00 12.02 H new ATOM 0 HB3 GLN A 20 11.150 -11.917 9.693 1.00 12.02 H new ATOM 0 HG2 GLN A 20 10.829 -14.302 10.207 1.00 42.43 H new ATOM 0 HG3 GLN A 20 10.185 -14.582 8.601 1.00 42.43 H new ATOM 0 HE21 GLN A 20 12.547 -15.734 9.973 1.00 24.21 H new ATOM 0 HE22 GLN A 20 13.920 -15.394 8.915 1.00 24.21 H new ATOM 321 N SER A 21 7.592 -10.415 10.083 1.00 34.44 N ATOM 322 CA SER A 21 7.192 -9.030 10.181 1.00 21.41 C ATOM 323 C SER A 21 7.106 -8.624 11.650 1.00 74.41 C ATOM 324 O SER A 21 7.260 -9.465 12.542 1.00 75.10 O ATOM 325 CB SER A 21 5.841 -8.819 9.483 1.00 21.00 C ATOM 326 OG SER A 21 5.511 -7.441 9.372 1.00 21.42 O ATOM 0 H SER A 21 6.922 -11.075 10.478 1.00 34.44 H new ATOM 0 HA SER A 21 7.935 -8.405 9.686 1.00 21.41 H new ATOM 0 HB2 SER A 21 5.872 -9.266 8.489 1.00 21.00 H new ATOM 0 HB3 SER A 21 5.060 -9.336 10.041 1.00 21.00 H new ATOM 0 HG SER A 21 6.096 -7.017 8.710 1.00 21.42 H new ATOM 332 N ARG A 22 6.873 -7.337 11.892 1.00 53.13 N ATOM 333 CA ARG A 22 6.736 -6.804 13.240 1.00 2.20 C ATOM 334 C ARG A 22 5.631 -7.541 13.977 1.00 53.11 C ATOM 335 O ARG A 22 5.857 -8.117 15.039 1.00 22.22 O ATOM 336 CB ARG A 22 6.432 -5.307 13.174 1.00 2.22 C ATOM 337 CG ARG A 22 6.397 -4.615 14.522 1.00 53.30 C ATOM 338 CD ARG A 22 6.296 -3.108 14.357 1.00 24.24 C ATOM 339 NE ARG A 22 7.439 -2.563 13.615 1.00 52.12 N ATOM 340 CZ ARG A 22 7.595 -1.271 13.317 1.00 34.12 C ATOM 341 NH1 ARG A 22 6.671 -0.386 13.677 1.00 11.13 N ATOM 342 NH2 ARG A 22 8.676 -0.869 12.654 1.00 1.12 N ATOM 0 H ARG A 22 6.774 -6.636 11.158 1.00 53.13 H new ATOM 0 HA ARG A 22 7.670 -6.947 13.783 1.00 2.20 H new ATOM 0 HB2 ARG A 22 7.184 -4.823 12.550 1.00 2.22 H new ATOM 0 HB3 ARG A 22 5.470 -5.165 12.681 1.00 2.22 H new ATOM 0 HG2 ARG A 22 5.548 -4.979 15.100 1.00 53.30 H new ATOM 0 HG3 ARG A 22 7.296 -4.863 15.086 1.00 53.30 H new ATOM 0 HD2 ARG A 22 5.372 -2.861 13.834 1.00 24.24 H new ATOM 0 HD3 ARG A 22 6.242 -2.638 15.339 1.00 24.24 H new ATOM 0 HE ARG A 22 8.161 -3.214 13.307 1.00 52.12 H new ATOM 0 HH11 ARG A 22 5.840 -0.693 14.182 1.00 11.13 H new ATOM 0 HH12 ARG A 22 6.793 0.600 13.448 1.00 11.13 H new ATOM 0 HH21 ARG A 22 9.384 -1.548 12.374 1.00 1.12 H new ATOM 0 HH22 ARG A 22 8.797 0.118 12.426 1.00 1.12 H new ATOM 356 N ARG A 23 4.442 -7.520 13.410 1.00 72.55 N ATOM 357 CA ARG A 23 3.326 -8.261 13.953 1.00 24.45 C ATOM 358 C ARG A 23 2.729 -9.143 12.866 1.00 35.05 C ATOM 359 O ARG A 23 1.956 -8.669 12.023 1.00 64.24 O ATOM 360 CB ARG A 23 2.257 -7.322 14.526 1.00 2.32 C ATOM 361 CG ARG A 23 1.069 -8.046 15.159 1.00 24.24 C ATOM 362 CD ARG A 23 1.501 -8.892 16.344 1.00 0.52 C ATOM 363 NE ARG A 23 0.378 -9.605 16.959 1.00 45.21 N ATOM 364 CZ ARG A 23 0.464 -10.299 18.094 1.00 3.13 C ATOM 365 NH1 ARG A 23 1.621 -10.375 18.739 1.00 54.41 N ATOM 366 NH2 ARG A 23 -0.603 -10.920 18.579 1.00 44.41 N ATOM 0 H ARG A 23 4.224 -6.992 12.565 1.00 72.55 H new ATOM 0 HA ARG A 23 3.688 -8.884 14.771 1.00 24.45 H new ATOM 0 HB2 ARG A 23 2.718 -6.678 15.275 1.00 2.32 H new ATOM 0 HB3 ARG A 23 1.892 -6.674 13.729 1.00 2.32 H new ATOM 0 HG2 ARG A 23 0.327 -7.316 15.483 1.00 24.24 H new ATOM 0 HG3 ARG A 23 0.589 -8.680 14.414 1.00 24.24 H new ATOM 0 HD2 ARG A 23 2.251 -9.613 16.018 1.00 0.52 H new ATOM 0 HD3 ARG A 23 1.975 -8.253 17.090 1.00 0.52 H new ATOM 0 HE ARG A 23 -0.526 -9.568 16.489 1.00 45.21 H new ATOM 0 HH11 ARG A 23 2.445 -9.902 18.366 1.00 54.41 H new ATOM 0 HH12 ARG A 23 1.687 -10.906 19.607 1.00 54.41 H new ATOM 0 HH21 ARG A 23 -1.493 -10.867 18.083 1.00 44.41 H new ATOM 0 HH22 ARG A 23 -0.534 -11.450 19.448 1.00 44.41 H new ATOM 380 N PRO A 24 3.108 -10.432 12.844 1.00 41.24 N ATOM 381 CA PRO A 24 2.616 -11.402 11.858 1.00 60.30 C ATOM 382 C PRO A 24 1.168 -11.820 12.127 1.00 52.41 C ATOM 383 O PRO A 24 0.847 -13.010 12.145 1.00 22.30 O ATOM 384 CB PRO A 24 3.557 -12.613 12.035 1.00 1.15 C ATOM 385 CG PRO A 24 4.653 -12.144 12.937 1.00 12.25 C ATOM 386 CD PRO A 24 4.065 -11.048 13.766 1.00 3.30 C ATOM 0 HA PRO A 24 2.617 -10.986 10.850 1.00 60.30 H new ATOM 0 HB2 PRO A 24 3.027 -13.460 12.470 1.00 1.15 H new ATOM 0 HB3 PRO A 24 3.954 -12.944 11.075 1.00 1.15 H new ATOM 0 HG2 PRO A 24 5.015 -12.957 13.566 1.00 12.25 H new ATOM 0 HG3 PRO A 24 5.505 -11.783 12.361 1.00 12.25 H new ATOM 0 HD2 PRO A 24 3.576 -11.434 14.661 1.00 3.30 H new ATOM 0 HD3 PRO A 24 4.823 -10.339 14.098 1.00 3.30 H new ATOM 394 N SER A 25 0.303 -10.836 12.302 1.00 22.41 N ATOM 395 CA SER A 25 -1.101 -11.077 12.562 1.00 53.22 C ATOM 396 C SER A 25 -1.958 -10.057 11.814 1.00 45.24 C ATOM 397 O SER A 25 -1.501 -8.940 11.521 1.00 43.10 O ATOM 398 CB SER A 25 -1.376 -10.986 14.066 1.00 22.33 C ATOM 399 OG SER A 25 -0.513 -11.844 14.794 1.00 0.23 O ATOM 0 H SER A 25 0.557 -9.849 12.267 1.00 22.41 H new ATOM 0 HA SER A 25 -1.357 -12.077 12.212 1.00 53.22 H new ATOM 0 HB2 SER A 25 -1.241 -9.958 14.402 1.00 22.33 H new ATOM 0 HB3 SER A 25 -2.414 -11.253 14.266 1.00 22.33 H new ATOM 0 HG SER A 25 -0.629 -12.766 14.483 1.00 0.23 H new ATOM 405 N SER A 26 -3.173 -10.448 11.486 1.00 31.31 N ATOM 406 CA SER A 26 -4.108 -9.570 10.817 1.00 60.35 C ATOM 407 C SER A 26 -5.526 -10.023 11.116 1.00 32.04 C ATOM 408 O SER A 26 -5.734 -10.974 11.883 1.00 33.43 O ATOM 409 CB SER A 26 -3.871 -9.598 9.304 1.00 2.22 C ATOM 410 OG SER A 26 -4.253 -10.855 8.754 1.00 15.44 O ATOM 0 H SER A 26 -3.538 -11.381 11.676 1.00 31.31 H new ATOM 0 HA SER A 26 -3.962 -8.552 11.179 1.00 60.35 H new ATOM 0 HB2 SER A 26 -4.440 -8.800 8.828 1.00 2.22 H new ATOM 0 HB3 SER A 26 -2.819 -9.409 9.093 1.00 2.22 H new ATOM 0 HG SER A 26 -3.950 -10.911 7.824 1.00 15.44 H new ATOM 415 N TRP A 27 -6.499 -9.361 10.513 1.00 55.21 N ATOM 416 CA TRP A 27 -7.890 -9.745 10.667 1.00 12.30 C ATOM 417 C TRP A 27 -8.217 -10.882 9.702 1.00 20.31 C ATOM 418 O TRP A 27 -9.322 -11.418 9.697 1.00 25.22 O ATOM 419 CB TRP A 27 -8.815 -8.541 10.408 1.00 14.22 C ATOM 420 CG TRP A 27 -8.745 -8.009 9.001 1.00 72.33 C ATOM 421 CD1 TRP A 27 -7.809 -7.157 8.490 1.00 11.51 C ATOM 422 CD2 TRP A 27 -9.659 -8.289 7.929 1.00 4.03 C ATOM 423 NE1 TRP A 27 -8.077 -6.901 7.169 1.00 30.02 N ATOM 424 CE2 TRP A 27 -9.207 -7.580 6.802 1.00 55.33 C ATOM 425 CE3 TRP A 27 -10.813 -9.073 7.813 1.00 55.12 C ATOM 426 CZ2 TRP A 27 -9.866 -7.631 5.575 1.00 63.55 C ATOM 427 CZ3 TRP A 27 -11.464 -9.121 6.596 1.00 51.13 C ATOM 428 CH2 TRP A 27 -10.990 -8.406 5.492 1.00 23.33 C ATOM 0 H TRP A 27 -6.349 -8.552 9.910 1.00 55.21 H new ATOM 0 HA TRP A 27 -8.052 -10.085 11.690 1.00 12.30 H new ATOM 0 HB2 TRP A 27 -9.843 -8.832 10.625 1.00 14.22 H new ATOM 0 HB3 TRP A 27 -8.557 -7.741 11.102 1.00 14.22 H new ATOM 0 HD1 TRP A 27 -6.979 -6.745 9.044 1.00 11.51 H new ATOM 0 HE1 TRP A 27 -7.523 -6.301 6.558 1.00 30.02 H new ATOM 0 HE3 TRP A 27 -11.187 -9.630 8.659 1.00 55.12 H new ATOM 0 HZ2 TRP A 27 -9.502 -7.079 4.721 1.00 63.55 H new ATOM 0 HZ3 TRP A 27 -12.356 -9.722 6.495 1.00 51.13 H new ATOM 0 HH2 TRP A 27 -11.522 -8.467 4.554 1.00 23.33 H new ATOM 439 N ARG A 28 -7.234 -11.240 8.890 1.00 74.22 N ATOM 440 CA ARG A 28 -7.389 -12.287 7.899 1.00 35.33 C ATOM 441 C ARG A 28 -6.676 -13.545 8.355 1.00 12.35 C ATOM 442 O ARG A 28 -7.208 -14.649 8.242 1.00 51.22 O ATOM 443 CB ARG A 28 -6.806 -11.825 6.565 1.00 62.41 C ATOM 444 CG ARG A 28 -7.393 -10.526 6.057 1.00 23.11 C ATOM 445 CD ARG A 28 -6.625 -9.999 4.864 1.00 43.12 C ATOM 446 NE ARG A 28 -6.714 -10.888 3.705 1.00 54.22 N ATOM 447 CZ ARG A 28 -5.705 -11.120 2.861 1.00 5.20 C ATOM 448 NH1 ARG A 28 -4.499 -10.633 3.115 1.00 64.31 N ATOM 449 NH2 ARG A 28 -5.896 -11.866 1.782 1.00 5.32 N ATOM 0 H ARG A 28 -6.308 -10.812 8.902 1.00 74.22 H new ATOM 0 HA ARG A 28 -8.450 -12.503 7.776 1.00 35.33 H new ATOM 0 HB2 ARG A 28 -5.728 -11.708 6.672 1.00 62.41 H new ATOM 0 HB3 ARG A 28 -6.970 -12.603 5.819 1.00 62.41 H new ATOM 0 HG2 ARG A 28 -8.436 -10.681 5.780 1.00 23.11 H new ATOM 0 HG3 ARG A 28 -7.382 -9.784 6.855 1.00 23.11 H new ATOM 0 HD2 ARG A 28 -7.009 -9.015 4.594 1.00 43.12 H new ATOM 0 HD3 ARG A 28 -5.578 -9.868 5.138 1.00 43.12 H new ATOM 0 HE ARG A 28 -7.601 -11.360 3.531 1.00 54.22 H new ATOM 0 HH11 ARG A 28 -4.339 -10.079 3.957 1.00 64.31 H new ATOM 0 HH12 ARG A 28 -3.730 -10.812 2.469 1.00 64.31 H new ATOM 0 HH21 ARG A 28 -6.816 -12.265 1.594 1.00 5.32 H new ATOM 0 HH22 ARG A 28 -5.123 -12.041 1.140 1.00 5.32 H new ATOM 463 N GLN A 29 -5.474 -13.370 8.875 1.00 61.24 N ATOM 464 CA GLN A 29 -4.660 -14.480 9.319 1.00 44.52 C ATOM 465 C GLN A 29 -3.887 -14.087 10.588 1.00 44.10 C ATOM 466 O GLN A 29 -3.090 -13.151 10.572 1.00 64.31 O ATOM 467 CB GLN A 29 -3.702 -14.870 8.186 1.00 41.34 C ATOM 468 CG GLN A 29 -2.916 -16.143 8.417 1.00 74.23 C ATOM 469 CD GLN A 29 -2.005 -16.477 7.246 1.00 71.33 C ATOM 470 OE1 GLN A 29 -1.505 -15.587 6.551 1.00 61.02 O ATOM 471 NE2 GLN A 29 -1.796 -17.756 7.011 1.00 71.53 N ATOM 0 H GLN A 29 -5.039 -12.456 9.000 1.00 61.24 H new ATOM 0 HA GLN A 29 -5.289 -15.336 9.564 1.00 44.52 H new ATOM 0 HB2 GLN A 29 -4.277 -14.979 7.267 1.00 41.34 H new ATOM 0 HB3 GLN A 29 -3.000 -14.052 8.028 1.00 41.34 H new ATOM 0 HG2 GLN A 29 -2.318 -16.039 9.322 1.00 74.23 H new ATOM 0 HG3 GLN A 29 -3.607 -16.969 8.585 1.00 74.23 H new ATOM 0 HE21 GLN A 29 -2.227 -18.461 7.608 1.00 71.53 H new ATOM 0 HE22 GLN A 29 -1.203 -18.041 6.232 1.00 71.53 H new ATOM 480 N GLU A 30 -4.143 -14.792 11.688 1.00 3.31 N ATOM 481 CA GLU A 30 -3.497 -14.485 12.965 1.00 2.23 C ATOM 482 C GLU A 30 -2.029 -14.893 12.951 1.00 54.22 C ATOM 483 O GLU A 30 -1.199 -14.294 13.636 1.00 70.25 O ATOM 484 CB GLU A 30 -4.226 -15.170 14.132 1.00 42.44 C ATOM 485 CG GLU A 30 -4.174 -16.690 14.094 1.00 12.44 C ATOM 486 CD GLU A 30 -4.841 -17.330 15.286 1.00 21.13 C ATOM 487 OE1 GLU A 30 -4.209 -17.403 16.361 1.00 63.22 O ATOM 488 OE2 GLU A 30 -5.994 -17.780 15.151 1.00 60.24 O ATOM 0 H GLU A 30 -4.792 -15.578 11.722 1.00 3.31 H new ATOM 0 HA GLU A 30 -3.553 -13.406 13.108 1.00 2.23 H new ATOM 0 HB2 GLU A 30 -3.790 -14.826 15.070 1.00 42.44 H new ATOM 0 HB3 GLU A 30 -5.269 -14.853 14.130 1.00 42.44 H new ATOM 0 HG2 GLU A 30 -4.656 -17.042 13.182 1.00 12.44 H new ATOM 0 HG3 GLU A 30 -3.134 -17.012 14.050 1.00 12.44 H new ATOM 495 N LYS A 31 -1.717 -15.914 12.173 1.00 23.33 N ATOM 496 CA LYS A 31 -0.355 -16.385 12.043 1.00 70.03 C ATOM 497 C LYS A 31 0.073 -16.358 10.588 1.00 44.22 C ATOM 498 O LYS A 31 -0.192 -17.291 9.826 1.00 61.11 O ATOM 499 CB LYS A 31 -0.188 -17.789 12.642 1.00 74.52 C ATOM 500 CG LYS A 31 -1.293 -18.773 12.276 1.00 52.41 C ATOM 501 CD LYS A 31 -0.907 -20.203 12.634 1.00 70.25 C ATOM 502 CE LYS A 31 -0.585 -20.350 14.114 1.00 33.11 C ATOM 503 NZ LYS A 31 -0.144 -21.724 14.444 1.00 73.41 N ATOM 0 H LYS A 31 -2.397 -16.435 11.619 1.00 23.33 H new ATOM 0 HA LYS A 31 0.292 -15.713 12.607 1.00 70.03 H new ATOM 0 HB2 LYS A 31 0.767 -18.198 12.314 1.00 74.52 H new ATOM 0 HB3 LYS A 31 -0.142 -17.703 13.728 1.00 74.52 H new ATOM 0 HG2 LYS A 31 -2.211 -18.501 12.797 1.00 52.41 H new ATOM 0 HG3 LYS A 31 -1.501 -18.708 11.208 1.00 52.41 H new ATOM 0 HD2 LYS A 31 -1.723 -20.876 12.371 1.00 70.25 H new ATOM 0 HD3 LYS A 31 -0.042 -20.505 12.043 1.00 70.25 H new ATOM 0 HE2 LYS A 31 0.196 -19.641 14.389 1.00 33.11 H new ATOM 0 HE3 LYS A 31 -1.466 -20.099 14.705 1.00 33.11 H new ATOM 0 HZ1 LYS A 31 0.067 -21.786 15.461 1.00 73.41 H new ATOM 0 HZ2 LYS A 31 -0.899 -22.398 14.205 1.00 73.41 H new ATOM 0 HZ3 LYS A 31 0.711 -21.955 13.899 1.00 73.41 H new ATOM 517 N ILE A 32 0.705 -15.271 10.204 1.00 52.34 N ATOM 518 CA ILE A 32 1.141 -15.076 8.833 1.00 44.24 C ATOM 519 C ILE A 32 2.275 -16.036 8.466 1.00 25.23 C ATOM 520 O ILE A 32 3.421 -15.852 8.887 1.00 42.03 O ATOM 521 CB ILE A 32 1.611 -13.619 8.597 1.00 14.05 C ATOM 522 CG1 ILE A 32 0.518 -12.623 9.004 1.00 42.53 C ATOM 523 CG2 ILE A 32 1.992 -13.414 7.147 1.00 25.24 C ATOM 524 CD1 ILE A 32 -0.753 -12.737 8.198 1.00 53.14 C ATOM 0 H ILE A 32 0.932 -14.498 10.829 1.00 52.34 H new ATOM 0 HA ILE A 32 0.282 -15.283 8.195 1.00 44.24 H new ATOM 0 HB ILE A 32 2.489 -13.440 9.218 1.00 14.05 H new ATOM 0 HG12 ILE A 32 0.281 -12.771 10.058 1.00 42.53 H new ATOM 0 HG13 ILE A 32 0.909 -11.610 8.904 1.00 42.53 H new ATOM 0 HG21 ILE A 32 2.320 -12.385 6.999 1.00 25.24 H new ATOM 0 HG22 ILE A 32 2.802 -14.094 6.884 1.00 25.24 H new ATOM 0 HG23 ILE A 32 1.129 -13.615 6.512 1.00 25.24 H new ATOM 0 HD11 ILE A 32 -1.474 -11.998 8.549 1.00 53.14 H new ATOM 0 HD12 ILE A 32 -0.534 -12.559 7.145 1.00 53.14 H new ATOM 0 HD13 ILE A 32 -1.171 -13.737 8.317 1.00 53.14 H new ATOM 536 N THR A 33 1.941 -17.066 7.705 1.00 74.21 N ATOM 537 CA THR A 33 2.922 -18.029 7.244 1.00 4.24 C ATOM 538 C THR A 33 3.507 -17.612 5.901 1.00 71.41 C ATOM 539 O THR A 33 4.617 -18.016 5.543 1.00 33.44 O ATOM 540 CB THR A 33 2.304 -19.428 7.130 1.00 34.31 C ATOM 541 OG1 THR A 33 0.925 -19.313 6.743 1.00 64.22 O ATOM 542 CG2 THR A 33 2.412 -20.174 8.450 1.00 15.33 C ATOM 0 H THR A 33 0.989 -17.255 7.393 1.00 74.21 H new ATOM 0 HA THR A 33 3.725 -18.059 7.981 1.00 4.24 H new ATOM 0 HB THR A 33 2.850 -19.992 6.373 1.00 34.31 H new ATOM 0 HG1 THR A 33 0.530 -20.207 6.669 1.00 64.22 H new ATOM 0 HG21 THR A 33 1.967 -21.164 8.346 1.00 15.33 H new ATOM 0 HG22 THR A 33 3.462 -20.275 8.726 1.00 15.33 H new ATOM 0 HG23 THR A 33 1.885 -19.619 9.226 1.00 15.33 H new ATOM 550 N ARG A 34 2.748 -16.809 5.161 1.00 51.33 N ATOM 551 CA ARG A 34 3.198 -16.276 3.878 1.00 43.44 C ATOM 552 C ARG A 34 4.452 -15.431 4.067 1.00 73.22 C ATOM 553 O ARG A 34 4.441 -14.423 4.776 1.00 23.51 O ATOM 554 CB ARG A 34 2.075 -15.471 3.196 1.00 33.41 C ATOM 555 CG ARG A 34 1.169 -14.739 4.171 1.00 71.24 C ATOM 556 CD ARG A 34 0.029 -14.029 3.470 1.00 23.53 C ATOM 557 NE ARG A 34 -1.043 -13.679 4.412 1.00 75.40 N ATOM 558 CZ ARG A 34 -1.572 -12.460 4.547 1.00 35.21 C ATOM 559 NH1 ARG A 34 -1.100 -11.443 3.837 1.00 42.31 N ATOM 560 NH2 ARG A 34 -2.566 -12.257 5.405 1.00 0.31 N ATOM 0 H ARG A 34 1.811 -16.511 5.431 1.00 51.33 H new ATOM 0 HA ARG A 34 3.449 -17.110 3.222 1.00 43.44 H new ATOM 0 HB2 ARG A 34 2.522 -14.747 2.515 1.00 33.41 H new ATOM 0 HB3 ARG A 34 1.471 -16.147 2.591 1.00 33.41 H new ATOM 0 HG2 ARG A 34 0.764 -15.450 4.892 1.00 71.24 H new ATOM 0 HG3 ARG A 34 1.755 -14.013 4.734 1.00 71.24 H new ATOM 0 HD2 ARG A 34 0.402 -13.125 2.989 1.00 23.53 H new ATOM 0 HD3 ARG A 34 -0.371 -14.668 2.682 1.00 23.53 H new ATOM 0 HE ARG A 34 -1.410 -14.422 5.007 1.00 75.40 H new ATOM 0 HH11 ARG A 34 -0.330 -11.590 3.185 1.00 42.31 H new ATOM 0 HH12 ARG A 34 -1.507 -10.514 3.944 1.00 42.31 H new ATOM 0 HH21 ARG A 34 -2.926 -13.032 5.961 1.00 0.31 H new ATOM 0 HH22 ARG A 34 -2.969 -11.326 5.507 1.00 0.31 H new ATOM 574 N THR A 35 5.526 -15.857 3.445 1.00 14.24 N ATOM 575 CA THR A 35 6.813 -15.218 3.609 1.00 74.12 C ATOM 576 C THR A 35 6.990 -14.016 2.657 1.00 74.53 C ATOM 577 O THR A 35 6.063 -13.633 1.933 1.00 34.30 O ATOM 578 CB THR A 35 7.958 -16.242 3.410 1.00 1.12 C ATOM 579 OG1 THR A 35 9.214 -15.663 3.790 1.00 63.24 O ATOM 580 CG2 THR A 35 8.024 -16.712 1.961 1.00 3.54 C ATOM 0 H THR A 35 5.534 -16.656 2.811 1.00 14.24 H new ATOM 0 HA THR A 35 6.856 -14.833 4.628 1.00 74.12 H new ATOM 0 HB THR A 35 7.753 -17.104 4.045 1.00 1.12 H new ATOM 0 HG1 THR A 35 9.929 -16.320 3.661 1.00 63.24 H new ATOM 0 HG21 THR A 35 8.836 -17.430 1.848 1.00 3.54 H new ATOM 0 HG22 THR A 35 7.081 -17.185 1.689 1.00 3.54 H new ATOM 0 HG23 THR A 35 8.203 -15.857 1.309 1.00 3.54 H new ATOM 588 N LYS A 36 8.193 -13.443 2.672 1.00 3.43 N ATOM 589 CA LYS A 36 8.536 -12.266 1.877 1.00 50.42 C ATOM 590 C LYS A 36 8.311 -12.512 0.390 1.00 45.21 C ATOM 591 O LYS A 36 7.665 -11.715 -0.280 1.00 53.22 O ATOM 592 CB LYS A 36 9.996 -11.880 2.119 1.00 4.53 C ATOM 593 CG LYS A 36 10.463 -10.666 1.323 1.00 70.02 C ATOM 594 CD LYS A 36 11.969 -10.462 1.445 1.00 25.23 C ATOM 595 CE LYS A 36 12.389 -10.226 2.886 1.00 33.43 C ATOM 596 NZ LYS A 36 13.858 -10.103 3.023 1.00 64.31 N ATOM 0 H LYS A 36 8.965 -13.787 3.243 1.00 3.43 H new ATOM 0 HA LYS A 36 7.883 -11.451 2.189 1.00 50.42 H new ATOM 0 HB2 LYS A 36 10.136 -11.679 3.181 1.00 4.53 H new ATOM 0 HB3 LYS A 36 10.631 -12.730 1.869 1.00 4.53 H new ATOM 0 HG2 LYS A 36 10.196 -10.793 0.274 1.00 70.02 H new ATOM 0 HG3 LYS A 36 9.944 -9.776 1.678 1.00 70.02 H new ATOM 0 HD2 LYS A 36 12.488 -11.337 1.053 1.00 25.23 H new ATOM 0 HD3 LYS A 36 12.272 -9.612 0.834 1.00 25.23 H new ATOM 0 HE2 LYS A 36 11.913 -9.319 3.258 1.00 33.43 H new ATOM 0 HE3 LYS A 36 12.035 -11.049 3.506 1.00 33.43 H new ATOM 0 HZ1 LYS A 36 14.101 -9.943 4.021 1.00 64.31 H new ATOM 0 HZ2 LYS A 36 14.312 -10.978 2.692 1.00 64.31 H new ATOM 0 HZ3 LYS A 36 14.194 -9.301 2.452 1.00 64.31 H new ATOM 610 N GLU A 37 8.856 -13.618 -0.112 1.00 41.44 N ATOM 611 CA GLU A 37 8.737 -13.978 -1.524 1.00 55.13 C ATOM 612 C GLU A 37 7.283 -13.960 -1.979 1.00 41.10 C ATOM 613 O GLU A 37 6.963 -13.438 -3.047 1.00 3.23 O ATOM 614 CB GLU A 37 9.344 -15.362 -1.799 1.00 65.55 C ATOM 615 CG GLU A 37 10.809 -15.514 -1.403 1.00 41.40 C ATOM 616 CD GLU A 37 10.998 -15.823 0.069 1.00 63.33 C ATOM 617 OE1 GLU A 37 10.999 -14.882 0.883 1.00 54.45 O ATOM 618 OE2 GLU A 37 11.154 -17.014 0.416 1.00 53.24 O ATOM 0 H GLU A 37 9.389 -14.286 0.444 1.00 41.44 H new ATOM 0 HA GLU A 37 9.292 -13.231 -2.091 1.00 55.13 H new ATOM 0 HB2 GLU A 37 8.759 -16.111 -1.265 1.00 65.55 H new ATOM 0 HB3 GLU A 37 9.246 -15.580 -2.862 1.00 65.55 H new ATOM 0 HG2 GLU A 37 11.259 -16.310 -1.996 1.00 41.40 H new ATOM 0 HG3 GLU A 37 11.342 -14.595 -1.647 1.00 41.40 H new ATOM 625 N GLU A 38 6.413 -14.519 -1.155 1.00 54.52 N ATOM 626 CA GLU A 38 4.995 -14.584 -1.457 1.00 11.04 C ATOM 627 C GLU A 38 4.379 -13.195 -1.444 1.00 71.54 C ATOM 628 O GLU A 38 3.712 -12.795 -2.397 1.00 2.55 O ATOM 629 CB GLU A 38 4.291 -15.472 -0.445 1.00 50.12 C ATOM 630 CG GLU A 38 4.806 -16.897 -0.421 1.00 72.14 C ATOM 631 CD GLU A 38 4.183 -17.714 0.678 1.00 41.14 C ATOM 632 OE1 GLU A 38 3.049 -18.206 0.495 1.00 2.52 O ATOM 633 OE2 GLU A 38 4.816 -17.867 1.734 1.00 51.13 O ATOM 0 H GLU A 38 6.669 -14.939 -0.261 1.00 54.52 H new ATOM 0 HA GLU A 38 4.873 -15.007 -2.454 1.00 11.04 H new ATOM 0 HB2 GLU A 38 4.405 -15.037 0.548 1.00 50.12 H new ATOM 0 HB3 GLU A 38 3.224 -15.485 -0.667 1.00 50.12 H new ATOM 0 HG2 GLU A 38 4.602 -17.370 -1.382 1.00 72.14 H new ATOM 0 HG3 GLU A 38 5.888 -16.887 -0.294 1.00 72.14 H new ATOM 640 N ALA A 39 4.622 -12.459 -0.363 1.00 51.22 N ATOM 641 CA ALA A 39 4.089 -11.111 -0.201 1.00 23.55 C ATOM 642 C ALA A 39 4.536 -10.202 -1.341 1.00 14.51 C ATOM 643 O ALA A 39 3.756 -9.396 -1.849 1.00 42.31 O ATOM 644 CB ALA A 39 4.517 -10.534 1.139 1.00 0.21 C ATOM 0 H ALA A 39 5.191 -12.779 0.421 1.00 51.22 H new ATOM 0 HA ALA A 39 3.001 -11.170 -0.227 1.00 23.55 H new ATOM 0 HB1 ALA A 39 4.113 -9.528 1.248 1.00 0.21 H new ATOM 0 HB2 ALA A 39 4.140 -11.165 1.944 1.00 0.21 H new ATOM 0 HB3 ALA A 39 5.605 -10.495 1.187 1.00 0.21 H new ATOM 650 N LEU A 40 5.790 -10.353 -1.743 1.00 63.33 N ATOM 651 CA LEU A 40 6.358 -9.559 -2.821 1.00 52.33 C ATOM 652 C LEU A 40 5.609 -9.811 -4.132 1.00 12.33 C ATOM 653 O LEU A 40 5.275 -8.868 -4.860 1.00 1.52 O ATOM 654 CB LEU A 40 7.846 -9.886 -2.989 1.00 71.11 C ATOM 655 CG LEU A 40 8.611 -9.036 -4.006 1.00 44.03 C ATOM 656 CD1 LEU A 40 8.619 -7.575 -3.587 1.00 55.22 C ATOM 657 CD2 LEU A 40 10.033 -9.551 -4.167 1.00 70.54 C ATOM 0 H LEU A 40 6.438 -11.025 -1.333 1.00 63.33 H new ATOM 0 HA LEU A 40 6.254 -8.505 -2.564 1.00 52.33 H new ATOM 0 HB2 LEU A 40 8.332 -9.781 -2.019 1.00 71.11 H new ATOM 0 HB3 LEU A 40 7.937 -10.933 -3.279 1.00 71.11 H new ATOM 0 HG LEU A 40 8.104 -9.113 -4.968 1.00 44.03 H new ATOM 0 HD11 LEU A 40 9.168 -6.988 -4.324 1.00 55.22 H new ATOM 0 HD12 LEU A 40 7.594 -7.209 -3.522 1.00 55.22 H new ATOM 0 HD13 LEU A 40 9.101 -7.478 -2.614 1.00 55.22 H new ATOM 0 HD21 LEU A 40 10.563 -8.935 -4.894 1.00 70.54 H new ATOM 0 HD22 LEU A 40 10.548 -9.504 -3.207 1.00 70.54 H new ATOM 0 HD23 LEU A 40 10.009 -10.584 -4.515 1.00 70.54 H new ATOM 669 N GLU A 41 5.330 -11.080 -4.420 1.00 4.33 N ATOM 670 CA GLU A 41 4.619 -11.438 -5.636 1.00 62.43 C ATOM 671 C GLU A 41 3.168 -11.003 -5.568 1.00 52.14 C ATOM 672 O GLU A 41 2.575 -10.646 -6.582 1.00 23.04 O ATOM 673 CB GLU A 41 4.701 -12.933 -5.917 1.00 53.05 C ATOM 674 CG GLU A 41 6.100 -13.421 -6.214 1.00 35.35 C ATOM 675 CD GLU A 41 6.111 -14.758 -6.908 1.00 21.12 C ATOM 676 OE1 GLU A 41 6.054 -15.792 -6.220 1.00 71.15 O ATOM 677 OE2 GLU A 41 6.178 -14.780 -8.158 1.00 34.42 O ATOM 0 H GLU A 41 5.585 -11.871 -3.829 1.00 4.33 H new ATOM 0 HA GLU A 41 5.106 -10.911 -6.456 1.00 62.43 H new ATOM 0 HB2 GLU A 41 4.311 -13.477 -5.057 1.00 53.05 H new ATOM 0 HB3 GLU A 41 4.056 -13.170 -6.763 1.00 53.05 H new ATOM 0 HG2 GLU A 41 6.612 -12.688 -6.837 1.00 35.35 H new ATOM 0 HG3 GLU A 41 6.661 -13.495 -5.282 1.00 35.35 H new ATOM 684 N LEU A 42 2.593 -11.046 -4.375 1.00 65.41 N ATOM 685 CA LEU A 42 1.220 -10.609 -4.181 1.00 0.42 C ATOM 686 C LEU A 42 1.092 -9.133 -4.519 1.00 1.45 C ATOM 687 O LEU A 42 0.208 -8.738 -5.272 1.00 3.43 O ATOM 688 CB LEU A 42 0.757 -10.860 -2.741 1.00 44.25 C ATOM 689 CG LEU A 42 0.703 -12.326 -2.297 1.00 45.20 C ATOM 690 CD1 LEU A 42 0.256 -12.429 -0.847 1.00 72.21 C ATOM 691 CD2 LEU A 42 -0.225 -13.128 -3.199 1.00 52.44 C ATOM 0 H LEU A 42 3.056 -11.379 -3.529 1.00 65.41 H new ATOM 0 HA LEU A 42 0.582 -11.189 -4.848 1.00 0.42 H new ATOM 0 HB2 LEU A 42 1.424 -10.322 -2.067 1.00 44.25 H new ATOM 0 HB3 LEU A 42 -0.236 -10.428 -2.619 1.00 44.25 H new ATOM 0 HG LEU A 42 1.706 -12.744 -2.379 1.00 45.20 H new ATOM 0 HD11 LEU A 42 0.224 -13.477 -0.550 1.00 72.21 H new ATOM 0 HD12 LEU A 42 0.960 -11.893 -0.210 1.00 72.21 H new ATOM 0 HD13 LEU A 42 -0.736 -11.991 -0.740 1.00 72.21 H new ATOM 0 HD21 LEU A 42 -0.249 -14.166 -2.866 1.00 52.44 H new ATOM 0 HD22 LEU A 42 -1.230 -12.709 -3.152 1.00 52.44 H new ATOM 0 HD23 LEU A 42 0.138 -13.084 -4.226 1.00 52.44 H new ATOM 703 N ILE A 43 2.007 -8.333 -3.975 1.00 63.54 N ATOM 704 CA ILE A 43 2.029 -6.889 -4.208 1.00 24.43 C ATOM 705 C ILE A 43 2.047 -6.569 -5.697 1.00 0.44 C ATOM 706 O ILE A 43 1.124 -5.936 -6.216 1.00 40.30 O ATOM 707 CB ILE A 43 3.254 -6.231 -3.518 1.00 11.33 C ATOM 708 CG1 ILE A 43 3.102 -6.289 -1.997 1.00 41.25 C ATOM 709 CG2 ILE A 43 3.453 -4.793 -3.985 1.00 61.20 C ATOM 710 CD1 ILE A 43 1.890 -5.544 -1.472 1.00 73.23 C ATOM 0 H ILE A 43 2.752 -8.665 -3.362 1.00 63.54 H new ATOM 0 HA ILE A 43 1.117 -6.479 -3.774 1.00 24.43 H new ATOM 0 HB ILE A 43 4.142 -6.795 -3.803 1.00 11.33 H new ATOM 0 HG12 ILE A 43 3.037 -7.332 -1.688 1.00 41.25 H new ATOM 0 HG13 ILE A 43 3.999 -5.875 -1.536 1.00 41.25 H new ATOM 0 HG21 ILE A 43 4.319 -4.364 -3.482 1.00 61.20 H new ATOM 0 HG22 ILE A 43 3.616 -4.780 -5.063 1.00 61.20 H new ATOM 0 HG23 ILE A 43 2.566 -4.206 -3.745 1.00 61.20 H new ATOM 0 HD11 ILE A 43 1.851 -5.631 -0.386 1.00 73.23 H new ATOM 0 HD12 ILE A 43 1.961 -4.492 -1.749 1.00 73.23 H new ATOM 0 HD13 ILE A 43 0.985 -5.972 -1.903 1.00 73.23 H new ATOM 722 N ASN A 44 3.081 -7.032 -6.385 1.00 74.21 N ATOM 723 CA ASN A 44 3.218 -6.780 -7.817 1.00 71.34 C ATOM 724 C ASN A 44 2.088 -7.432 -8.595 1.00 42.50 C ATOM 725 O ASN A 44 1.696 -6.948 -9.662 1.00 41.45 O ATOM 726 CB ASN A 44 4.566 -7.276 -8.327 1.00 4.42 C ATOM 727 CG ASN A 44 5.722 -6.413 -7.867 1.00 40.03 C ATOM 728 OD1 ASN A 44 5.580 -5.202 -7.688 1.00 34.35 O ATOM 729 ND2 ASN A 44 6.869 -7.025 -7.674 1.00 2.42 N ATOM 0 H ASN A 44 3.837 -7.583 -5.978 1.00 74.21 H new ATOM 0 HA ASN A 44 3.164 -5.703 -7.972 1.00 71.34 H new ATOM 0 HB2 ASN A 44 4.724 -8.299 -7.986 1.00 4.42 H new ATOM 0 HB3 ASN A 44 4.550 -7.302 -9.417 1.00 4.42 H new ATOM 0 HD21 ASN A 44 7.684 -6.495 -7.364 1.00 2.42 H new ATOM 0 HD22 ASN A 44 6.944 -8.030 -7.834 1.00 2.42 H new ATOM 736 N GLY A 45 1.569 -8.525 -8.055 1.00 70.22 N ATOM 737 CA GLY A 45 0.465 -9.211 -8.675 1.00 62.42 C ATOM 738 C GLY A 45 -0.777 -8.355 -8.701 1.00 63.41 C ATOM 739 O GLY A 45 -1.346 -8.120 -9.767 1.00 4.24 O ATOM 0 H GLY A 45 1.901 -8.949 -7.189 1.00 70.22 H new ATOM 0 HA2 GLY A 45 0.736 -9.491 -9.693 1.00 62.42 H new ATOM 0 HA3 GLY A 45 0.260 -10.135 -8.134 1.00 62.42 H new ATOM 743 N TYR A 46 -1.188 -7.866 -7.526 1.00 24.12 N ATOM 744 CA TYR A 46 -2.366 -7.007 -7.422 1.00 32.54 C ATOM 745 C TYR A 46 -2.204 -5.793 -8.318 1.00 72.23 C ATOM 746 O TYR A 46 -3.118 -5.428 -9.052 1.00 65.14 O ATOM 747 CB TYR A 46 -2.603 -6.551 -5.970 1.00 11.55 C ATOM 748 CG TYR A 46 -2.844 -7.680 -4.988 1.00 14.43 C ATOM 749 CD1 TYR A 46 -3.745 -8.699 -5.271 1.00 51.42 C ATOM 750 CD2 TYR A 46 -2.170 -7.722 -3.773 1.00 14.35 C ATOM 751 CE1 TYR A 46 -3.965 -9.726 -4.374 1.00 12.23 C ATOM 752 CE2 TYR A 46 -2.384 -8.745 -2.872 1.00 51.43 C ATOM 753 CZ TYR A 46 -3.280 -9.745 -3.176 1.00 53.04 C ATOM 754 OH TYR A 46 -3.490 -10.770 -2.281 1.00 31.42 O ATOM 0 H TYR A 46 -0.722 -8.051 -6.638 1.00 24.12 H new ATOM 0 HA TYR A 46 -3.232 -7.587 -7.743 1.00 32.54 H new ATOM 0 HB2 TYR A 46 -1.739 -5.976 -5.638 1.00 11.55 H new ATOM 0 HB3 TYR A 46 -3.461 -5.879 -5.949 1.00 11.55 H new ATOM 0 HD1 TYR A 46 -4.282 -8.688 -6.208 1.00 51.42 H new ATOM 0 HD2 TYR A 46 -1.466 -6.940 -3.530 1.00 14.35 H new ATOM 0 HE1 TYR A 46 -4.669 -10.510 -4.609 1.00 12.23 H new ATOM 0 HE2 TYR A 46 -1.851 -8.761 -1.933 1.00 51.43 H new ATOM 0 HH TYR A 46 -4.405 -10.718 -1.933 1.00 31.42 H new ATOM 764 N ILE A 47 -1.020 -5.189 -8.266 1.00 21.40 N ATOM 765 CA ILE A 47 -0.698 -4.029 -9.087 1.00 41.13 C ATOM 766 C ILE A 47 -0.929 -4.329 -10.565 1.00 33.12 C ATOM 767 O ILE A 47 -1.577 -3.554 -11.274 1.00 1.03 O ATOM 768 CB ILE A 47 0.774 -3.592 -8.870 1.00 31.14 C ATOM 769 CG1 ILE A 47 0.961 -3.065 -7.447 1.00 1.44 C ATOM 770 CG2 ILE A 47 1.200 -2.543 -9.899 1.00 20.31 C ATOM 771 CD1 ILE A 47 2.389 -2.702 -7.117 1.00 51.15 C ATOM 0 H ILE A 47 -0.260 -5.490 -7.655 1.00 21.40 H new ATOM 0 HA ILE A 47 -1.358 -3.216 -8.784 1.00 41.13 H new ATOM 0 HB ILE A 47 1.413 -4.464 -9.008 1.00 31.14 H new ATOM 0 HG12 ILE A 47 0.331 -2.186 -7.309 1.00 1.44 H new ATOM 0 HG13 ILE A 47 0.615 -3.820 -6.741 1.00 1.44 H new ATOM 0 HG21 ILE A 47 2.237 -2.258 -9.720 1.00 20.31 H new ATOM 0 HG22 ILE A 47 1.106 -2.958 -10.902 1.00 20.31 H new ATOM 0 HG23 ILE A 47 0.561 -1.665 -9.809 1.00 20.31 H new ATOM 0 HD11 ILE A 47 2.444 -2.336 -6.092 1.00 51.15 H new ATOM 0 HD12 ILE A 47 3.022 -3.583 -7.222 1.00 51.15 H new ATOM 0 HD13 ILE A 47 2.734 -1.924 -7.799 1.00 51.15 H new ATOM 783 N GLN A 48 -0.423 -5.465 -11.018 1.00 54.23 N ATOM 784 CA GLN A 48 -0.560 -5.857 -12.409 1.00 32.21 C ATOM 785 C GLN A 48 -2.030 -6.092 -12.764 1.00 14.30 C ATOM 786 O GLN A 48 -2.484 -5.700 -13.838 1.00 23.30 O ATOM 787 CB GLN A 48 0.276 -7.106 -12.709 1.00 63.41 C ATOM 788 CG GLN A 48 0.399 -7.430 -14.193 1.00 61.24 C ATOM 789 CD GLN A 48 0.942 -6.263 -15.000 1.00 33.14 C ATOM 790 OE1 GLN A 48 2.153 -6.096 -15.136 1.00 43.12 O ATOM 791 NE2 GLN A 48 0.051 -5.455 -15.556 1.00 44.53 N ATOM 0 H GLN A 48 0.087 -6.132 -10.440 1.00 54.23 H new ATOM 0 HA GLN A 48 -0.186 -5.042 -13.028 1.00 32.21 H new ATOM 0 HB2 GLN A 48 1.275 -6.970 -12.294 1.00 63.41 H new ATOM 0 HB3 GLN A 48 -0.169 -7.959 -12.197 1.00 63.41 H new ATOM 0 HG2 GLN A 48 1.054 -8.292 -14.320 1.00 61.24 H new ATOM 0 HG3 GLN A 48 -0.579 -7.713 -14.582 1.00 61.24 H new ATOM 0 HE21 GLN A 48 -0.946 -5.625 -15.421 1.00 44.53 H new ATOM 0 HE22 GLN A 48 0.362 -4.663 -16.119 1.00 44.53 H new ATOM 800 N LYS A 49 -2.768 -6.709 -11.850 1.00 74.20 N ATOM 801 CA LYS A 49 -4.187 -6.980 -12.059 1.00 65.25 C ATOM 802 C LYS A 49 -4.976 -5.676 -12.163 1.00 20.25 C ATOM 803 O LYS A 49 -5.887 -5.549 -12.986 1.00 21.22 O ATOM 804 CB LYS A 49 -4.735 -7.847 -10.923 1.00 55.41 C ATOM 805 CG LYS A 49 -4.028 -9.190 -10.786 1.00 23.10 C ATOM 806 CD LYS A 49 -4.469 -9.945 -9.541 1.00 51.24 C ATOM 807 CE LYS A 49 -5.913 -10.404 -9.638 1.00 14.33 C ATOM 808 NZ LYS A 49 -6.132 -11.342 -10.770 1.00 51.12 N ATOM 0 H LYS A 49 -2.407 -7.033 -10.953 1.00 74.20 H new ATOM 0 HA LYS A 49 -4.299 -7.523 -12.998 1.00 65.25 H new ATOM 0 HB2 LYS A 49 -4.645 -7.301 -9.984 1.00 55.41 H new ATOM 0 HB3 LYS A 49 -5.798 -8.021 -11.090 1.00 55.41 H new ATOM 0 HG2 LYS A 49 -4.230 -9.797 -11.668 1.00 23.10 H new ATOM 0 HG3 LYS A 49 -2.950 -9.030 -10.750 1.00 23.10 H new ATOM 0 HD2 LYS A 49 -3.822 -10.810 -9.393 1.00 51.24 H new ATOM 0 HD3 LYS A 49 -4.350 -9.305 -8.667 1.00 51.24 H new ATOM 0 HE2 LYS A 49 -6.201 -10.890 -8.706 1.00 14.33 H new ATOM 0 HE3 LYS A 49 -6.561 -9.536 -9.758 1.00 14.33 H new ATOM 0 HZ1 LYS A 49 -7.039 -11.834 -10.643 1.00 51.12 H new ATOM 0 HZ2 LYS A 49 -6.149 -10.810 -11.663 1.00 51.12 H new ATOM 0 HZ3 LYS A 49 -5.361 -12.040 -10.797 1.00 51.12 H new ATOM 822 N ILE A 50 -4.617 -4.706 -11.332 1.00 63.32 N ATOM 823 CA ILE A 50 -5.266 -3.399 -11.343 1.00 1.31 C ATOM 824 C ILE A 50 -4.922 -2.637 -12.624 1.00 12.14 C ATOM 825 O ILE A 50 -5.801 -2.091 -13.286 1.00 42.44 O ATOM 826 CB ILE A 50 -4.851 -2.544 -10.118 1.00 45.45 C ATOM 827 CG1 ILE A 50 -5.238 -3.247 -8.817 1.00 74.13 C ATOM 828 CG2 ILE A 50 -5.497 -1.159 -10.185 1.00 52.02 C ATOM 829 CD1 ILE A 50 -4.708 -2.560 -7.575 1.00 33.54 C ATOM 0 H ILE A 50 -3.876 -4.800 -10.638 1.00 63.32 H new ATOM 0 HA ILE A 50 -6.341 -3.576 -11.297 1.00 1.31 H new ATOM 0 HB ILE A 50 -3.768 -2.422 -10.138 1.00 45.45 H new ATOM 0 HG12 ILE A 50 -6.325 -3.305 -8.754 1.00 74.13 H new ATOM 0 HG13 ILE A 50 -4.865 -4.271 -8.843 1.00 74.13 H new ATOM 0 HG21 ILE A 50 -5.194 -0.574 -9.317 1.00 52.02 H new ATOM 0 HG22 ILE A 50 -5.176 -0.651 -11.095 1.00 52.02 H new ATOM 0 HG23 ILE A 50 -6.582 -1.263 -10.191 1.00 52.02 H new ATOM 0 HD11 ILE A 50 -5.022 -3.114 -6.691 1.00 33.54 H new ATOM 0 HD12 ILE A 50 -3.619 -2.526 -7.615 1.00 33.54 H new ATOM 0 HD13 ILE A 50 -5.101 -1.545 -7.525 1.00 33.54 H new ATOM 841 N LYS A 51 -3.637 -2.622 -12.975 1.00 61.22 N ATOM 842 CA LYS A 51 -3.167 -1.909 -14.167 1.00 40.23 C ATOM 843 C LYS A 51 -3.777 -2.470 -15.447 1.00 62.25 C ATOM 844 O LYS A 51 -3.955 -1.745 -16.424 1.00 71.20 O ATOM 845 CB LYS A 51 -1.640 -1.940 -14.259 1.00 33.35 C ATOM 846 CG LYS A 51 -0.939 -1.133 -13.174 1.00 72.54 C ATOM 847 CD LYS A 51 0.576 -1.198 -13.315 1.00 60.24 C ATOM 848 CE LYS A 51 1.046 -0.604 -14.634 1.00 44.40 C ATOM 849 NZ LYS A 51 2.521 -0.613 -14.751 1.00 10.20 N ATOM 0 H LYS A 51 -2.900 -3.095 -12.452 1.00 61.22 H new ATOM 0 HA LYS A 51 -3.495 -0.875 -14.065 1.00 40.23 H new ATOM 0 HB2 LYS A 51 -1.304 -2.975 -14.202 1.00 33.35 H new ATOM 0 HB3 LYS A 51 -1.337 -1.559 -15.234 1.00 33.35 H new ATOM 0 HG2 LYS A 51 -1.265 -0.094 -13.225 1.00 72.54 H new ATOM 0 HG3 LYS A 51 -1.230 -1.511 -12.194 1.00 72.54 H new ATOM 0 HD2 LYS A 51 1.041 -0.661 -12.488 1.00 60.24 H new ATOM 0 HD3 LYS A 51 0.903 -2.235 -13.246 1.00 60.24 H new ATOM 0 HE2 LYS A 51 0.613 -1.168 -15.460 1.00 44.40 H new ATOM 0 HE3 LYS A 51 0.682 0.420 -14.721 1.00 44.40 H new ATOM 0 HZ1 LYS A 51 2.799 -0.200 -15.664 1.00 10.20 H new ATOM 0 HZ2 LYS A 51 2.934 -0.054 -13.978 1.00 10.20 H new ATOM 0 HZ3 LYS A 51 2.868 -1.592 -14.694 1.00 10.20 H new ATOM 863 N SER A 52 -4.101 -3.752 -15.439 1.00 72.12 N ATOM 864 CA SER A 52 -4.701 -4.388 -16.604 1.00 63.24 C ATOM 865 C SER A 52 -6.186 -4.029 -16.714 1.00 2.40 C ATOM 866 O SER A 52 -6.834 -4.331 -17.712 1.00 63.14 O ATOM 867 CB SER A 52 -4.524 -5.906 -16.529 1.00 43.10 C ATOM 868 OG SER A 52 -3.160 -6.250 -16.340 1.00 61.13 O ATOM 0 H SER A 52 -3.960 -4.373 -14.642 1.00 72.12 H new ATOM 0 HA SER A 52 -4.194 -4.020 -17.496 1.00 63.24 H new ATOM 0 HB2 SER A 52 -5.121 -6.305 -15.709 1.00 43.10 H new ATOM 0 HB3 SER A 52 -4.895 -6.365 -17.446 1.00 43.10 H new ATOM 0 HG SER A 52 -2.931 -6.171 -15.390 1.00 61.13 H new ATOM 874 N GLY A 53 -6.711 -3.385 -15.673 1.00 21.25 N ATOM 875 CA GLY A 53 -8.104 -2.987 -15.667 1.00 75.33 C ATOM 876 C GLY A 53 -9.011 -4.082 -15.153 1.00 10.13 C ATOM 877 O GLY A 53 -10.231 -3.930 -15.128 1.00 41.43 O ATOM 0 H GLY A 53 -6.192 -3.132 -14.832 1.00 21.25 H new ATOM 0 HA2 GLY A 53 -8.223 -2.099 -15.047 1.00 75.33 H new ATOM 0 HA3 GLY A 53 -8.406 -2.713 -16.678 1.00 75.33 H new ATOM 881 N GLU A 54 -8.410 -5.179 -14.733 1.00 12.42 N ATOM 882 CA GLU A 54 -9.156 -6.321 -14.239 1.00 63.43 C ATOM 883 C GLU A 54 -9.721 -6.039 -12.857 1.00 32.11 C ATOM 884 O GLU A 54 -10.938 -6.003 -12.664 1.00 41.15 O ATOM 885 CB GLU A 54 -8.256 -7.554 -14.198 1.00 62.31 C ATOM 886 CG GLU A 54 -7.678 -7.930 -15.550 1.00 44.12 C ATOM 887 CD GLU A 54 -8.744 -8.319 -16.544 1.00 1.11 C ATOM 888 OE1 GLU A 54 -9.094 -9.518 -16.605 1.00 0.23 O ATOM 889 OE2 GLU A 54 -9.247 -7.432 -17.270 1.00 25.32 O ATOM 0 H GLU A 54 -7.398 -5.304 -14.724 1.00 12.42 H new ATOM 0 HA GLU A 54 -9.989 -6.509 -14.917 1.00 63.43 H new ATOM 0 HB2 GLU A 54 -7.438 -7.374 -13.500 1.00 62.31 H new ATOM 0 HB3 GLU A 54 -8.827 -8.397 -13.809 1.00 62.31 H new ATOM 0 HG2 GLU A 54 -7.107 -7.089 -15.944 1.00 44.12 H new ATOM 0 HG3 GLU A 54 -6.981 -8.759 -15.426 1.00 44.12 H new ATOM 896 N GLU A 55 -8.839 -5.817 -11.906 1.00 4.21 N ATOM 897 CA GLU A 55 -9.245 -5.561 -10.542 1.00 4.03 C ATOM 898 C GLU A 55 -9.165 -4.077 -10.228 1.00 53.12 C ATOM 899 O GLU A 55 -8.574 -3.302 -10.985 1.00 45.41 O ATOM 900 CB GLU A 55 -8.375 -6.351 -9.566 1.00 53.11 C ATOM 901 CG GLU A 55 -8.428 -7.857 -9.760 1.00 31.12 C ATOM 902 CD GLU A 55 -9.833 -8.419 -9.664 1.00 61.30 C ATOM 903 OE1 GLU A 55 -10.329 -8.603 -8.534 1.00 55.51 O ATOM 904 OE2 GLU A 55 -10.447 -8.684 -10.719 1.00 72.11 O ATOM 0 H GLU A 55 -7.830 -5.809 -12.055 1.00 4.21 H new ATOM 0 HA GLU A 55 -10.280 -5.885 -10.430 1.00 4.03 H new ATOM 0 HB2 GLU A 55 -7.342 -6.019 -9.668 1.00 53.11 H new ATOM 0 HB3 GLU A 55 -8.686 -6.116 -8.548 1.00 53.11 H new ATOM 0 HG2 GLU A 55 -8.009 -8.107 -10.735 1.00 31.12 H new ATOM 0 HG3 GLU A 55 -7.799 -8.337 -9.010 1.00 31.12 H new ATOM 911 N ASP A 56 -9.753 -3.688 -9.114 1.00 21.05 N ATOM 912 CA ASP A 56 -9.756 -2.296 -8.690 1.00 53.45 C ATOM 913 C ASP A 56 -9.071 -2.175 -7.344 1.00 40.21 C ATOM 914 O ASP A 56 -9.254 -3.032 -6.475 1.00 40.23 O ATOM 915 CB ASP A 56 -11.192 -1.759 -8.610 1.00 21.02 C ATOM 916 CG ASP A 56 -11.930 -1.861 -9.932 1.00 35.14 C ATOM 917 OD1 ASP A 56 -11.787 -0.944 -10.772 1.00 53.23 O ATOM 918 OD2 ASP A 56 -12.649 -2.871 -10.146 1.00 51.30 O ATOM 0 H ASP A 56 -10.240 -4.321 -8.479 1.00 21.05 H new ATOM 0 HA ASP A 56 -9.212 -1.701 -9.423 1.00 53.45 H new ATOM 0 HB2 ASP A 56 -11.741 -2.313 -7.849 1.00 21.02 H new ATOM 0 HB3 ASP A 56 -11.169 -0.717 -8.291 1.00 21.02 H new ATOM 923 N PHE A 57 -8.287 -1.118 -7.167 1.00 32.24 N ATOM 924 CA PHE A 57 -7.524 -0.925 -5.937 1.00 63.43 C ATOM 925 C PHE A 57 -8.423 -0.904 -4.713 1.00 54.44 C ATOM 926 O PHE A 57 -8.220 -1.683 -3.793 1.00 34.54 O ATOM 927 CB PHE A 57 -6.683 0.354 -5.992 1.00 33.31 C ATOM 928 CG PHE A 57 -5.714 0.473 -4.842 1.00 11.44 C ATOM 929 CD1 PHE A 57 -6.103 1.038 -3.637 1.00 0.14 C ATOM 930 CD2 PHE A 57 -4.418 0.006 -4.964 1.00 22.35 C ATOM 931 CE1 PHE A 57 -5.218 1.134 -2.582 1.00 61.31 C ATOM 932 CE2 PHE A 57 -3.529 0.101 -3.912 1.00 62.53 C ATOM 933 CZ PHE A 57 -3.931 0.665 -2.721 1.00 1.30 C ATOM 0 H PHE A 57 -8.162 -0.380 -7.860 1.00 32.24 H new ATOM 0 HA PHE A 57 -6.851 -1.778 -5.851 1.00 63.43 H new ATOM 0 HB2 PHE A 57 -6.129 0.378 -6.930 1.00 33.31 H new ATOM 0 HB3 PHE A 57 -7.347 1.219 -5.992 1.00 33.31 H new ATOM 0 HD1 PHE A 57 -7.111 1.408 -3.522 1.00 0.14 H new ATOM 0 HD2 PHE A 57 -4.097 -0.439 -5.894 1.00 22.35 H new ATOM 0 HE1 PHE A 57 -5.535 1.576 -1.649 1.00 61.31 H new ATOM 0 HE2 PHE A 57 -2.519 -0.266 -4.023 1.00 62.53 H new ATOM 0 HZ PHE A 57 -3.237 0.739 -1.897 1.00 1.30 H new ATOM 943 N GLU A 58 -9.419 -0.015 -4.709 1.00 45.35 N ATOM 944 CA GLU A 58 -10.336 0.107 -3.569 1.00 31.53 C ATOM 945 C GLU A 58 -10.952 -1.237 -3.207 1.00 75.31 C ATOM 946 O GLU A 58 -11.050 -1.585 -2.036 1.00 43.11 O ATOM 947 CB GLU A 58 -11.444 1.118 -3.856 1.00 63.12 C ATOM 948 CG GLU A 58 -10.976 2.562 -3.921 1.00 2.45 C ATOM 949 CD GLU A 58 -12.116 3.517 -4.192 1.00 70.30 C ATOM 950 OE1 GLU A 58 -12.439 3.738 -5.378 1.00 23.52 O ATOM 951 OE2 GLU A 58 -12.708 4.043 -3.223 1.00 63.33 O ATOM 0 H GLU A 58 -9.612 0.628 -5.477 1.00 45.35 H new ATOM 0 HA GLU A 58 -9.747 0.461 -2.723 1.00 31.53 H new ATOM 0 HB2 GLU A 58 -11.918 0.860 -4.803 1.00 63.12 H new ATOM 0 HB3 GLU A 58 -12.208 1.031 -3.083 1.00 63.12 H new ATOM 0 HG2 GLU A 58 -10.495 2.830 -2.980 1.00 2.45 H new ATOM 0 HG3 GLU A 58 -10.224 2.664 -4.703 1.00 2.45 H new ATOM 958 N SER A 59 -11.348 -1.991 -4.218 1.00 40.23 N ATOM 959 CA SER A 59 -11.957 -3.291 -4.012 1.00 72.34 C ATOM 960 C SER A 59 -10.963 -4.266 -3.365 1.00 72.35 C ATOM 961 O SER A 59 -11.288 -4.943 -2.388 1.00 63.52 O ATOM 962 CB SER A 59 -12.458 -3.842 -5.344 1.00 12.23 C ATOM 963 OG SER A 59 -13.258 -2.877 -6.019 1.00 51.12 O ATOM 0 H SER A 59 -11.257 -1.721 -5.197 1.00 40.23 H new ATOM 0 HA SER A 59 -12.802 -3.177 -3.333 1.00 72.34 H new ATOM 0 HB2 SER A 59 -11.610 -4.121 -5.970 1.00 12.23 H new ATOM 0 HB3 SER A 59 -13.039 -4.748 -5.173 1.00 12.23 H new ATOM 0 HG SER A 59 -13.568 -3.248 -6.871 1.00 51.12 H new ATOM 969 N LEU A 60 -9.748 -4.314 -3.902 1.00 43.20 N ATOM 970 CA LEU A 60 -8.720 -5.203 -3.376 1.00 20.41 C ATOM 971 C LEU A 60 -8.277 -4.764 -1.987 1.00 35.31 C ATOM 972 O LEU A 60 -8.141 -5.582 -1.082 1.00 5.32 O ATOM 973 CB LEU A 60 -7.503 -5.254 -4.311 1.00 63.22 C ATOM 974 CG LEU A 60 -7.756 -5.796 -5.720 1.00 74.12 C ATOM 975 CD1 LEU A 60 -6.458 -5.839 -6.507 1.00 24.34 C ATOM 976 CD2 LEU A 60 -8.386 -7.176 -5.664 1.00 65.44 C ATOM 0 H LEU A 60 -9.453 -3.749 -4.698 1.00 43.20 H new ATOM 0 HA LEU A 60 -9.156 -6.200 -3.310 1.00 20.41 H new ATOM 0 HB2 LEU A 60 -7.096 -4.247 -4.399 1.00 63.22 H new ATOM 0 HB3 LEU A 60 -6.735 -5.868 -3.841 1.00 63.22 H new ATOM 0 HG LEU A 60 -8.451 -5.125 -6.225 1.00 74.12 H new ATOM 0 HD11 LEU A 60 -6.652 -6.226 -7.507 1.00 24.34 H new ATOM 0 HD12 LEU A 60 -6.044 -4.833 -6.581 1.00 24.34 H new ATOM 0 HD13 LEU A 60 -5.745 -6.488 -5.998 1.00 24.34 H new ATOM 0 HD21 LEU A 60 -8.556 -7.540 -6.677 1.00 65.44 H new ATOM 0 HD22 LEU A 60 -7.718 -7.860 -5.140 1.00 65.44 H new ATOM 0 HD23 LEU A 60 -9.337 -7.121 -5.134 1.00 65.44 H new ATOM 988 N ALA A 61 -8.088 -3.467 -1.819 1.00 41.24 N ATOM 989 CA ALA A 61 -7.618 -2.908 -0.560 1.00 2.34 C ATOM 990 C ALA A 61 -8.656 -3.032 0.551 1.00 4.34 C ATOM 991 O ALA A 61 -8.351 -2.796 1.713 1.00 75.22 O ATOM 992 CB ALA A 61 -7.201 -1.459 -0.742 1.00 13.31 C ATOM 0 H ALA A 61 -8.255 -2.773 -2.547 1.00 41.24 H new ATOM 0 HA ALA A 61 -6.749 -3.491 -0.254 1.00 2.34 H new ATOM 0 HB1 ALA A 61 -6.853 -1.058 0.210 1.00 13.31 H new ATOM 0 HB2 ALA A 61 -6.397 -1.401 -1.476 1.00 13.31 H new ATOM 0 HB3 ALA A 61 -8.053 -0.876 -1.091 1.00 13.31 H new ATOM 998 N SER A 62 -9.871 -3.401 0.197 1.00 75.45 N ATOM 999 CA SER A 62 -10.915 -3.576 1.188 1.00 15.54 C ATOM 1000 C SER A 62 -10.917 -4.997 1.745 1.00 65.43 C ATOM 1001 O SER A 62 -11.546 -5.272 2.765 1.00 21.32 O ATOM 1002 CB SER A 62 -12.286 -3.243 0.597 1.00 75.12 C ATOM 1003 OG SER A 62 -12.355 -1.882 0.198 1.00 44.21 O ATOM 0 H SER A 62 -10.159 -3.585 -0.764 1.00 75.45 H new ATOM 0 HA SER A 62 -10.709 -2.887 2.007 1.00 15.54 H new ATOM 0 HB2 SER A 62 -12.482 -3.887 -0.261 1.00 75.12 H new ATOM 0 HB3 SER A 62 -13.063 -3.449 1.334 1.00 75.12 H new ATOM 0 HG SER A 62 -12.021 -1.793 -0.719 1.00 44.21 H new ATOM 1009 N GLN A 63 -10.199 -5.899 1.087 1.00 30.12 N ATOM 1010 CA GLN A 63 -10.184 -7.293 1.517 1.00 61.10 C ATOM 1011 C GLN A 63 -8.770 -7.843 1.683 1.00 42.32 C ATOM 1012 O GLN A 63 -8.514 -8.626 2.589 1.00 64.52 O ATOM 1013 CB GLN A 63 -10.964 -8.162 0.532 1.00 23.24 C ATOM 1014 CG GLN A 63 -12.441 -7.820 0.443 1.00 3.24 C ATOM 1015 CD GLN A 63 -13.192 -8.682 -0.554 1.00 43.41 C ATOM 1016 OE1 GLN A 63 -14.173 -8.246 -1.145 1.00 50.44 O ATOM 1017 NE2 GLN A 63 -12.740 -9.905 -0.749 1.00 2.41 N ATOM 0 H GLN A 63 -9.628 -5.696 0.267 1.00 30.12 H new ATOM 0 HA GLN A 63 -10.662 -7.324 2.496 1.00 61.10 H new ATOM 0 HB2 GLN A 63 -10.518 -8.062 -0.457 1.00 23.24 H new ATOM 0 HB3 GLN A 63 -10.860 -9.207 0.824 1.00 23.24 H new ATOM 0 HG2 GLN A 63 -12.894 -7.935 1.428 1.00 3.24 H new ATOM 0 HG3 GLN A 63 -12.549 -6.772 0.162 1.00 3.24 H new ATOM 0 HE21 GLN A 63 -11.920 -10.233 -0.239 1.00 2.41 H new ATOM 0 HE22 GLN A 63 -13.210 -10.523 -1.410 1.00 2.41 H new ATOM 1026 N PHE A 64 -7.859 -7.426 0.820 1.00 33.14 N ATOM 1027 CA PHE A 64 -6.496 -7.949 0.839 1.00 32.35 C ATOM 1028 C PHE A 64 -5.552 -7.082 1.667 1.00 52.53 C ATOM 1029 O PHE A 64 -4.343 -7.288 1.651 1.00 73.50 O ATOM 1030 CB PHE A 64 -5.962 -8.108 -0.584 1.00 41.01 C ATOM 1031 CG PHE A 64 -6.721 -9.118 -1.399 1.00 1.53 C ATOM 1032 CD1 PHE A 64 -6.469 -10.472 -1.253 1.00 71.21 C ATOM 1033 CD2 PHE A 64 -7.684 -8.716 -2.306 1.00 41.32 C ATOM 1034 CE1 PHE A 64 -7.164 -11.404 -1.997 1.00 32.43 C ATOM 1035 CE2 PHE A 64 -8.382 -9.644 -3.053 1.00 42.42 C ATOM 1036 CZ PHE A 64 -8.121 -10.989 -2.899 1.00 63.34 C ATOM 0 H PHE A 64 -8.034 -6.728 0.097 1.00 33.14 H new ATOM 0 HA PHE A 64 -6.537 -8.928 1.317 1.00 32.35 H new ATOM 0 HB2 PHE A 64 -6.001 -7.142 -1.088 1.00 41.01 H new ATOM 0 HB3 PHE A 64 -4.913 -8.402 -0.540 1.00 41.01 H new ATOM 0 HD1 PHE A 64 -5.720 -10.802 -0.549 1.00 71.21 H new ATOM 0 HD2 PHE A 64 -7.893 -7.664 -2.432 1.00 41.32 H new ATOM 0 HE1 PHE A 64 -6.959 -12.457 -1.873 1.00 32.43 H new ATOM 0 HE2 PHE A 64 -9.132 -9.316 -3.758 1.00 42.42 H new ATOM 0 HZ PHE A 64 -8.665 -11.716 -3.484 1.00 63.34 H new ATOM 1046 N SER A 65 -6.093 -6.123 2.385 1.00 15.41 N ATOM 1047 CA SER A 65 -5.276 -5.294 3.248 1.00 44.40 C ATOM 1048 C SER A 65 -5.227 -5.886 4.644 1.00 23.12 C ATOM 1049 O SER A 65 -6.243 -5.948 5.339 1.00 40.35 O ATOM 1050 CB SER A 65 -5.804 -3.866 3.302 1.00 31.20 C ATOM 1051 OG SER A 65 -5.743 -3.254 2.032 1.00 65.31 O ATOM 0 H SER A 65 -7.088 -5.897 2.390 1.00 15.41 H new ATOM 0 HA SER A 65 -4.268 -5.265 2.835 1.00 44.40 H new ATOM 0 HB2 SER A 65 -6.834 -3.869 3.659 1.00 31.20 H new ATOM 0 HB3 SER A 65 -5.221 -3.286 4.017 1.00 31.20 H new ATOM 0 HG SER A 65 -6.573 -2.760 1.867 1.00 65.31 H new ATOM 1057 N ASP A 66 -4.046 -6.318 5.050 1.00 31.44 N ATOM 1058 CA ASP A 66 -3.843 -6.925 6.365 1.00 11.45 C ATOM 1059 C ASP A 66 -3.762 -5.855 7.448 1.00 54.32 C ATOM 1060 O ASP A 66 -2.832 -5.836 8.263 1.00 54.42 O ATOM 1061 CB ASP A 66 -2.564 -7.768 6.369 1.00 35.34 C ATOM 1062 CG ASP A 66 -2.595 -8.896 5.362 1.00 44.24 C ATOM 1063 OD1 ASP A 66 -3.499 -9.744 5.438 1.00 61.35 O ATOM 1064 OD2 ASP A 66 -1.711 -8.940 4.480 1.00 42.22 O ATOM 0 H ASP A 66 -3.200 -6.261 4.484 1.00 31.44 H new ATOM 0 HA ASP A 66 -4.696 -7.570 6.577 1.00 11.45 H new ATOM 0 HB2 ASP A 66 -1.710 -7.124 6.158 1.00 35.34 H new ATOM 0 HB3 ASP A 66 -2.412 -8.182 7.366 1.00 35.34 H new ATOM 1069 N SER A 67 -4.745 -4.977 7.458 1.00 31.23 N ATOM 1070 CA SER A 67 -4.805 -3.886 8.398 1.00 71.24 C ATOM 1071 C SER A 67 -6.213 -3.300 8.403 1.00 21.51 C ATOM 1072 O SER A 67 -7.076 -3.739 7.633 1.00 21.00 O ATOM 1073 CB SER A 67 -3.778 -2.807 8.013 1.00 3.13 C ATOM 1074 OG SER A 67 -3.710 -1.776 8.983 1.00 31.40 O ATOM 0 H SER A 67 -5.529 -5.005 6.806 1.00 31.23 H new ATOM 0 HA SER A 67 -4.567 -4.251 9.397 1.00 71.24 H new ATOM 0 HB2 SER A 67 -2.795 -3.265 7.899 1.00 3.13 H new ATOM 0 HB3 SER A 67 -4.045 -2.380 7.046 1.00 3.13 H new ATOM 0 HG SER A 67 -3.047 -1.110 8.706 1.00 31.40 H new ATOM 1080 N SER A 68 -6.436 -2.307 9.249 1.00 51.43 N ATOM 1081 CA SER A 68 -7.726 -1.645 9.343 1.00 20.01 C ATOM 1082 C SER A 68 -8.030 -0.864 8.058 1.00 30.14 C ATOM 1083 O SER A 68 -9.173 -0.467 7.811 1.00 32.11 O ATOM 1084 CB SER A 68 -7.745 -0.715 10.549 1.00 33.20 C ATOM 1085 OG SER A 68 -7.513 -1.433 11.754 1.00 32.44 O ATOM 0 H SER A 68 -5.731 -1.939 9.887 1.00 51.43 H new ATOM 0 HA SER A 68 -8.499 -2.403 9.469 1.00 20.01 H new ATOM 0 HB2 SER A 68 -6.984 0.056 10.429 1.00 33.20 H new ATOM 0 HB3 SER A 68 -8.708 -0.207 10.605 1.00 33.20 H new ATOM 0 HG SER A 68 -7.529 -0.813 12.513 1.00 32.44 H new ATOM 1091 N SER A 69 -6.994 -0.676 7.234 1.00 51.21 N ATOM 1092 CA SER A 69 -7.110 0.027 5.958 1.00 51.52 C ATOM 1093 C SER A 69 -8.177 -0.620 5.069 1.00 10.22 C ATOM 1094 O SER A 69 -8.766 0.037 4.209 1.00 73.00 O ATOM 1095 CB SER A 69 -5.760 -0.003 5.240 1.00 75.01 C ATOM 1096 OG SER A 69 -4.709 0.371 6.118 1.00 73.04 O ATOM 0 H SER A 69 -6.051 -1.009 7.436 1.00 51.21 H new ATOM 0 HA SER A 69 -7.407 1.057 6.155 1.00 51.52 H new ATOM 0 HB2 SER A 69 -5.574 -1.003 4.849 1.00 75.01 H new ATOM 0 HB3 SER A 69 -5.783 0.674 4.386 1.00 75.01 H new ATOM 0 HG SER A 69 -3.855 0.343 5.637 1.00 73.04 H new ATOM 1102 N ALA A 70 -8.433 -1.906 5.308 1.00 54.33 N ATOM 1103 CA ALA A 70 -9.405 -2.667 4.539 1.00 62.35 C ATOM 1104 C ALA A 70 -10.809 -2.081 4.665 1.00 44.10 C ATOM 1105 O ALA A 70 -11.605 -2.165 3.744 1.00 31.42 O ATOM 1106 CB ALA A 70 -9.396 -4.118 4.986 1.00 41.44 C ATOM 0 H ALA A 70 -7.971 -2.445 6.040 1.00 54.33 H new ATOM 0 HA ALA A 70 -9.120 -2.611 3.488 1.00 62.35 H new ATOM 0 HB1 ALA A 70 -10.126 -4.682 4.406 1.00 41.44 H new ATOM 0 HB2 ALA A 70 -8.404 -4.541 4.829 1.00 41.44 H new ATOM 0 HB3 ALA A 70 -9.652 -4.174 6.044 1.00 41.44 H new ATOM 1112 N LYS A 71 -11.096 -1.471 5.800 1.00 11.42 N ATOM 1113 CA LYS A 71 -12.414 -0.899 6.032 1.00 31.12 C ATOM 1114 C LYS A 71 -12.521 0.493 5.423 1.00 71.11 C ATOM 1115 O LYS A 71 -13.609 1.054 5.310 1.00 11.24 O ATOM 1116 CB LYS A 71 -12.715 -0.846 7.531 1.00 30.12 C ATOM 1117 CG LYS A 71 -12.679 -2.206 8.206 1.00 33.23 C ATOM 1118 CD LYS A 71 -13.070 -2.117 9.667 1.00 33.44 C ATOM 1119 CE LYS A 71 -13.090 -3.492 10.317 1.00 43.12 C ATOM 1120 NZ LYS A 71 -11.767 -4.160 10.249 1.00 52.11 N ATOM 0 H LYS A 71 -10.440 -1.358 6.573 1.00 11.42 H new ATOM 0 HA LYS A 71 -13.150 -1.540 5.547 1.00 31.12 H new ATOM 0 HB2 LYS A 71 -11.992 -0.190 8.015 1.00 30.12 H new ATOM 0 HB3 LYS A 71 -13.699 -0.401 7.680 1.00 30.12 H new ATOM 0 HG2 LYS A 71 -13.355 -2.887 7.689 1.00 33.23 H new ATOM 0 HG3 LYS A 71 -11.677 -2.627 8.122 1.00 33.23 H new ATOM 0 HD2 LYS A 71 -12.367 -1.473 10.195 1.00 33.44 H new ATOM 0 HD3 LYS A 71 -14.054 -1.656 9.755 1.00 33.44 H new ATOM 0 HE2 LYS A 71 -13.394 -3.396 11.359 1.00 43.12 H new ATOM 0 HE3 LYS A 71 -13.836 -4.115 9.824 1.00 43.12 H new ATOM 0 HZ1 LYS A 71 -11.766 -4.993 10.872 1.00 52.11 H new ATOM 0 HZ2 LYS A 71 -11.579 -4.459 9.271 1.00 52.11 H new ATOM 0 HZ3 LYS A 71 -11.027 -3.497 10.557 1.00 52.11 H new ATOM 1134 N ALA A 72 -11.391 1.039 5.015 1.00 60.11 N ATOM 1135 CA ALA A 72 -11.352 2.374 4.449 1.00 54.52 C ATOM 1136 C ALA A 72 -10.966 2.338 2.976 1.00 70.44 C ATOM 1137 O ALA A 72 -10.626 3.369 2.393 1.00 52.11 O ATOM 1138 CB ALA A 72 -10.379 3.241 5.231 1.00 63.34 C ATOM 0 H ALA A 72 -10.484 0.576 5.065 1.00 60.11 H new ATOM 0 HA ALA A 72 -12.351 2.804 4.521 1.00 54.52 H new ATOM 0 HB1 ALA A 72 -10.356 4.242 4.800 1.00 63.34 H new ATOM 0 HB2 ALA A 72 -10.700 3.302 6.271 1.00 63.34 H new ATOM 0 HB3 ALA A 72 -9.382 2.802 5.184 1.00 63.34 H new ATOM 1144 N ARG A 73 -11.011 1.138 2.379 1.00 44.23 N ATOM 1145 CA ARG A 73 -10.670 0.942 0.954 1.00 11.42 C ATOM 1146 C ARG A 73 -9.205 1.270 0.673 1.00 75.24 C ATOM 1147 O ARG A 73 -8.797 1.368 -0.483 1.00 25.11 O ATOM 1148 CB ARG A 73 -11.557 1.806 0.050 1.00 35.50 C ATOM 1149 CG ARG A 73 -13.003 1.371 -0.027 1.00 63.23 C ATOM 1150 CD ARG A 73 -13.796 2.332 -0.887 1.00 70.34 C ATOM 1151 NE ARG A 73 -15.141 1.849 -1.187 1.00 2.51 N ATOM 1152 CZ ARG A 73 -15.862 2.273 -2.226 1.00 53.33 C ATOM 1153 NH1 ARG A 73 -15.348 3.166 -3.074 1.00 72.41 N ATOM 1154 NH2 ARG A 73 -17.083 1.800 -2.425 1.00 14.34 N ATOM 0 H ARG A 73 -11.282 0.281 2.861 1.00 44.23 H new ATOM 0 HA ARG A 73 -10.843 -0.111 0.734 1.00 11.42 H new ATOM 0 HB2 ARG A 73 -11.521 2.835 0.407 1.00 35.50 H new ATOM 0 HB3 ARG A 73 -11.138 1.803 -0.956 1.00 35.50 H new ATOM 0 HG2 ARG A 73 -13.066 0.365 -0.442 1.00 63.23 H new ATOM 0 HG3 ARG A 73 -13.431 1.330 0.974 1.00 63.23 H new ATOM 0 HD2 ARG A 73 -13.866 3.294 -0.379 1.00 70.34 H new ATOM 0 HD3 ARG A 73 -13.260 2.503 -1.821 1.00 70.34 H new ATOM 0 HE ARG A 73 -15.551 1.149 -0.568 1.00 2.51 H new ATOM 0 HH11 ARG A 73 -14.404 3.524 -2.927 1.00 72.41 H new ATOM 0 HH12 ARG A 73 -15.899 3.491 -3.869 1.00 72.41 H new ATOM 0 HH21 ARG A 73 -17.474 1.110 -1.783 1.00 14.34 H new ATOM 0 HH22 ARG A 73 -17.633 2.126 -3.220 1.00 14.34 H new ATOM 1168 N GLY A 74 -8.425 1.444 1.724 1.00 44.12 N ATOM 1169 CA GLY A 74 -7.028 1.793 1.568 1.00 43.52 C ATOM 1170 C GLY A 74 -6.822 3.279 1.296 1.00 40.25 C ATOM 1171 O GLY A 74 -5.760 3.829 1.589 1.00 62.45 O ATOM 0 H GLY A 74 -8.735 1.349 2.691 1.00 44.12 H new ATOM 0 HA2 GLY A 74 -6.485 1.514 2.471 1.00 43.52 H new ATOM 0 HA3 GLY A 74 -6.602 1.215 0.748 1.00 43.52 H new ATOM 1175 N ASP A 75 -7.836 3.923 0.743 1.00 44.51 N ATOM 1176 CA ASP A 75 -7.767 5.344 0.407 1.00 22.04 C ATOM 1177 C ASP A 75 -7.945 6.214 1.638 1.00 73.24 C ATOM 1178 O ASP A 75 -8.913 6.066 2.387 1.00 50.13 O ATOM 1179 CB ASP A 75 -8.818 5.691 -0.653 1.00 62.42 C ATOM 1180 CG ASP A 75 -8.909 7.181 -0.940 1.00 75.22 C ATOM 1181 OD1 ASP A 75 -7.855 7.847 -1.049 1.00 52.24 O ATOM 1182 OD2 ASP A 75 -10.040 7.690 -1.070 1.00 23.33 O ATOM 0 H ASP A 75 -8.727 3.483 0.514 1.00 44.51 H new ATOM 0 HA ASP A 75 -6.776 5.545 0.000 1.00 22.04 H new ATOM 0 HB2 ASP A 75 -8.581 5.163 -1.577 1.00 62.42 H new ATOM 0 HB3 ASP A 75 -9.792 5.331 -0.321 1.00 62.42 H new ATOM 1187 N LEU A 76 -6.998 7.114 1.847 1.00 63.22 N ATOM 1188 CA LEU A 76 -7.031 8.023 2.983 1.00 70.35 C ATOM 1189 C LEU A 76 -7.465 9.412 2.549 1.00 50.21 C ATOM 1190 O LEU A 76 -7.650 10.307 3.381 1.00 61.21 O ATOM 1191 CB LEU A 76 -5.649 8.106 3.639 1.00 54.34 C ATOM 1192 CG LEU A 76 -5.131 6.822 4.288 1.00 5.25 C ATOM 1193 CD1 LEU A 76 -3.701 7.012 4.765 1.00 22.14 C ATOM 1194 CD2 LEU A 76 -6.025 6.413 5.449 1.00 51.12 C ATOM 0 H LEU A 76 -6.189 7.236 1.238 1.00 63.22 H new ATOM 0 HA LEU A 76 -7.752 7.635 3.703 1.00 70.35 H new ATOM 0 HB2 LEU A 76 -4.930 8.422 2.884 1.00 54.34 H new ATOM 0 HB3 LEU A 76 -5.677 8.887 4.399 1.00 54.34 H new ATOM 0 HG LEU A 76 -5.148 6.027 3.542 1.00 5.25 H new ATOM 0 HD11 LEU A 76 -3.345 6.090 5.225 1.00 22.14 H new ATOM 0 HD12 LEU A 76 -3.065 7.263 3.916 1.00 22.14 H new ATOM 0 HD13 LEU A 76 -3.666 7.819 5.496 1.00 22.14 H new ATOM 0 HD21 LEU A 76 -5.641 5.497 5.899 1.00 51.12 H new ATOM 0 HD22 LEU A 76 -6.037 7.207 6.196 1.00 51.12 H new ATOM 0 HD23 LEU A 76 -7.038 6.241 5.085 1.00 51.12 H new ATOM 1206 N GLY A 77 -7.638 9.593 1.253 1.00 3.34 N ATOM 1207 CA GLY A 77 -7.986 10.893 0.744 1.00 10.10 C ATOM 1208 C GLY A 77 -6.774 11.792 0.687 1.00 32.43 C ATOM 1209 O GLY A 77 -5.641 11.312 0.781 1.00 70.35 O ATOM 0 H GLY A 77 -7.543 8.863 0.547 1.00 3.34 H new ATOM 0 HA2 GLY A 77 -8.418 10.794 -0.252 1.00 10.10 H new ATOM 0 HA3 GLY A 77 -8.749 11.344 1.379 1.00 10.10 H new ATOM 1213 N ALA A 78 -6.992 13.078 0.528 1.00 72.31 N ATOM 1214 CA ALA A 78 -5.898 14.021 0.477 1.00 34.44 C ATOM 1215 C ALA A 78 -5.423 14.336 1.882 1.00 72.20 C ATOM 1216 O ALA A 78 -6.191 14.828 2.712 1.00 61.50 O ATOM 1217 CB ALA A 78 -6.319 15.289 -0.248 1.00 12.34 C ATOM 0 H ALA A 78 -7.918 13.495 0.432 1.00 72.31 H new ATOM 0 HA ALA A 78 -5.073 13.575 -0.078 1.00 34.44 H new ATOM 0 HB1 ALA A 78 -5.482 15.987 -0.276 1.00 12.34 H new ATOM 0 HB2 ALA A 78 -6.621 15.043 -1.266 1.00 12.34 H new ATOM 0 HB3 ALA A 78 -7.156 15.748 0.278 1.00 12.34 H new ATOM 1223 N PHE A 79 -4.173 14.034 2.154 1.00 54.41 N ATOM 1224 CA PHE A 79 -3.604 14.262 3.468 1.00 43.52 C ATOM 1225 C PHE A 79 -2.318 15.065 3.368 1.00 4.12 C ATOM 1226 O PHE A 79 -1.717 15.167 2.298 1.00 52.30 O ATOM 1227 CB PHE A 79 -3.335 12.920 4.175 1.00 43.11 C ATOM 1228 CG PHE A 79 -2.471 11.969 3.382 1.00 40.34 C ATOM 1229 CD1 PHE A 79 -1.092 12.119 3.352 1.00 30.53 C ATOM 1230 CD2 PHE A 79 -3.042 10.933 2.662 1.00 25.33 C ATOM 1231 CE1 PHE A 79 -0.304 11.254 2.622 1.00 43.11 C ATOM 1232 CE2 PHE A 79 -2.257 10.066 1.930 1.00 72.52 C ATOM 1233 CZ PHE A 79 -0.887 10.228 1.910 1.00 34.04 C ATOM 0 H PHE A 79 -3.525 13.627 1.479 1.00 54.41 H new ATOM 0 HA PHE A 79 -4.323 14.834 4.055 1.00 43.52 H new ATOM 0 HB2 PHE A 79 -2.855 13.116 5.134 1.00 43.11 H new ATOM 0 HB3 PHE A 79 -4.288 12.436 4.388 1.00 43.11 H new ATOM 0 HD1 PHE A 79 -0.630 12.922 3.907 1.00 30.53 H new ATOM 0 HD2 PHE A 79 -4.114 10.802 2.674 1.00 25.33 H new ATOM 0 HE1 PHE A 79 0.768 11.380 2.608 1.00 43.11 H new ATOM 0 HE2 PHE A 79 -2.714 9.261 1.373 1.00 72.52 H new ATOM 0 HZ PHE A 79 -0.271 9.551 1.336 1.00 34.04 H new ATOM 1243 N SER A 80 -1.905 15.630 4.481 1.00 64.43 N ATOM 1244 CA SER A 80 -0.675 16.380 4.545 1.00 73.31 C ATOM 1245 C SER A 80 0.497 15.432 4.737 1.00 44.44 C ATOM 1246 O SER A 80 0.429 14.504 5.548 1.00 4.30 O ATOM 1247 CB SER A 80 -0.735 17.397 5.692 1.00 45.41 C ATOM 1248 OG SER A 80 0.506 18.067 5.867 1.00 22.15 O ATOM 0 H SER A 80 -2.413 15.581 5.364 1.00 64.43 H new ATOM 0 HA SER A 80 -0.539 16.922 3.609 1.00 73.31 H new ATOM 0 HB2 SER A 80 -1.518 18.128 5.489 1.00 45.41 H new ATOM 0 HB3 SER A 80 -1.007 16.887 6.616 1.00 45.41 H new ATOM 0 HG SER A 80 0.431 18.708 6.604 1.00 22.15 H new ATOM 1254 N ARG A 81 1.560 15.668 3.986 1.00 54.40 N ATOM 1255 CA ARG A 81 2.760 14.839 4.043 1.00 60.24 C ATOM 1256 C ARG A 81 3.349 14.781 5.456 1.00 5.41 C ATOM 1257 O ARG A 81 3.927 13.770 5.854 1.00 11.44 O ATOM 1258 CB ARG A 81 3.807 15.364 3.070 1.00 1.40 C ATOM 1259 CG ARG A 81 4.235 16.794 3.339 1.00 74.02 C ATOM 1260 CD ARG A 81 5.323 17.235 2.385 1.00 20.33 C ATOM 1261 NE ARG A 81 5.771 18.593 2.666 1.00 1.22 N ATOM 1262 CZ ARG A 81 6.424 19.363 1.799 1.00 64.15 C ATOM 1263 NH1 ARG A 81 6.709 18.909 0.584 1.00 65.54 N ATOM 1264 NH2 ARG A 81 6.791 20.584 2.147 1.00 44.20 N ATOM 0 H ARG A 81 1.619 16.438 3.319 1.00 54.40 H new ATOM 0 HA ARG A 81 2.471 13.827 3.760 1.00 60.24 H new ATOM 0 HB2 ARG A 81 4.684 14.719 3.113 1.00 1.40 H new ATOM 0 HB3 ARG A 81 3.412 15.298 2.056 1.00 1.40 H new ATOM 0 HG2 ARG A 81 3.375 17.457 3.243 1.00 74.02 H new ATOM 0 HG3 ARG A 81 4.592 16.881 4.365 1.00 74.02 H new ATOM 0 HD2 ARG A 81 6.169 16.551 2.457 1.00 20.33 H new ATOM 0 HD3 ARG A 81 4.954 17.179 1.361 1.00 20.33 H new ATOM 0 HE ARG A 81 5.571 18.979 3.589 1.00 1.22 H new ATOM 0 HH11 ARG A 81 6.427 17.967 0.312 1.00 65.54 H new ATOM 0 HH12 ARG A 81 7.210 19.502 -0.078 1.00 65.54 H new ATOM 0 HH21 ARG A 81 6.574 20.936 3.080 1.00 44.20 H new ATOM 0 HH22 ARG A 81 7.292 21.175 1.483 1.00 44.20 H new ATOM 1278 N GLY A 82 3.186 15.861 6.213 1.00 11.24 N ATOM 1279 CA GLY A 82 3.717 15.906 7.560 1.00 43.02 C ATOM 1280 C GLY A 82 3.016 14.935 8.484 1.00 53.05 C ATOM 1281 O GLY A 82 3.583 14.496 9.485 1.00 41.13 O ATOM 0 H GLY A 82 2.696 16.705 5.917 1.00 11.24 H new ATOM 0 HA2 GLY A 82 4.782 15.677 7.536 1.00 43.02 H new ATOM 0 HA3 GLY A 82 3.617 16.917 7.955 1.00 43.02 H new ATOM 1285 N GLN A 83 1.789 14.578 8.134 1.00 21.51 N ATOM 1286 CA GLN A 83 0.997 13.659 8.935 1.00 62.53 C ATOM 1287 C GLN A 83 1.139 12.236 8.391 1.00 32.52 C ATOM 1288 O GLN A 83 0.342 11.351 8.713 1.00 21.44 O ATOM 1289 CB GLN A 83 -0.484 14.068 8.913 1.00 22.33 C ATOM 1290 CG GLN A 83 -0.757 15.543 9.214 1.00 40.23 C ATOM 1291 CD GLN A 83 -0.355 15.976 10.619 1.00 43.01 C ATOM 1292 OE1 GLN A 83 0.606 15.468 11.201 1.00 22.53 O ATOM 1293 NE2 GLN A 83 -1.094 16.916 11.171 1.00 71.54 N ATOM 0 H GLN A 83 1.318 14.914 7.294 1.00 21.51 H new ATOM 0 HA GLN A 83 1.361 13.694 9.962 1.00 62.53 H new ATOM 0 HB2 GLN A 83 -0.895 13.832 7.931 1.00 22.33 H new ATOM 0 HB3 GLN A 83 -1.023 13.460 9.639 1.00 22.33 H new ATOM 0 HG2 GLN A 83 -0.221 16.156 8.489 1.00 40.23 H new ATOM 0 HG3 GLN A 83 -1.820 15.741 9.075 1.00 40.23 H new ATOM 0 HE21 GLN A 83 -1.881 17.313 10.658 1.00 71.54 H new ATOM 0 HE22 GLN A 83 -0.879 17.247 12.111 1.00 71.54 H new ATOM 1302 N MET A 84 2.154 12.027 7.571 1.00 70.44 N ATOM 1303 CA MET A 84 2.388 10.736 6.949 1.00 14.45 C ATOM 1304 C MET A 84 3.844 10.305 7.133 1.00 43.30 C ATOM 1305 O MET A 84 4.727 11.149 7.307 1.00 32.24 O ATOM 1306 CB MET A 84 2.035 10.816 5.458 1.00 73.43 C ATOM 1307 CG MET A 84 2.194 9.507 4.703 1.00 40.32 C ATOM 1308 SD MET A 84 1.244 8.155 5.434 1.00 63.23 S ATOM 1309 CE MET A 84 -0.424 8.812 5.346 1.00 14.31 C ATOM 0 H MET A 84 2.835 12.743 7.319 1.00 70.44 H new ATOM 0 HA MET A 84 1.754 9.990 7.428 1.00 14.45 H new ATOM 0 HB2 MET A 84 1.004 11.155 5.359 1.00 73.43 H new ATOM 0 HB3 MET A 84 2.665 11.571 4.988 1.00 73.43 H new ATOM 0 HG2 MET A 84 1.879 9.649 3.669 1.00 40.32 H new ATOM 0 HG3 MET A 84 3.249 9.232 4.680 1.00 40.32 H new ATOM 0 HE1 MET A 84 -1.127 8.072 5.729 1.00 14.31 H new ATOM 0 HE2 MET A 84 -0.490 9.720 5.946 1.00 14.31 H new ATOM 0 HE3 MET A 84 -0.670 9.043 4.310 1.00 14.31 H new ATOM 1319 N GLN A 85 4.085 8.991 7.109 1.00 22.54 N ATOM 1320 CA GLN A 85 5.436 8.449 7.255 1.00 31.52 C ATOM 1321 C GLN A 85 6.341 8.955 6.134 1.00 51.23 C ATOM 1322 O GLN A 85 5.900 9.108 4.992 1.00 22.24 O ATOM 1323 CB GLN A 85 5.405 6.917 7.265 1.00 45.01 C ATOM 1324 CG GLN A 85 4.629 6.317 8.433 1.00 11.35 C ATOM 1325 CD GLN A 85 5.283 6.571 9.788 1.00 13.31 C ATOM 1326 OE1 GLN A 85 5.973 7.574 9.991 1.00 62.32 O ATOM 1327 NE2 GLN A 85 5.063 5.670 10.723 1.00 60.22 N ATOM 0 H GLN A 85 3.360 8.283 6.990 1.00 22.54 H new ATOM 0 HA GLN A 85 5.840 8.792 8.207 1.00 31.52 H new ATOM 0 HB2 GLN A 85 4.964 6.567 6.332 1.00 45.01 H new ATOM 0 HB3 GLN A 85 6.429 6.544 7.293 1.00 45.01 H new ATOM 0 HG2 GLN A 85 3.621 6.731 8.441 1.00 11.35 H new ATOM 0 HG3 GLN A 85 4.531 5.242 8.281 1.00 11.35 H new ATOM 0 HE21 GLN A 85 4.487 4.853 10.519 1.00 60.22 H new ATOM 0 HE22 GLN A 85 5.468 5.789 11.651 1.00 60.22 H new ATOM 1336 N LYS A 86 7.600 9.193 6.464 1.00 71.42 N ATOM 1337 CA LYS A 86 8.560 9.758 5.519 1.00 1.40 C ATOM 1338 C LYS A 86 8.754 8.883 4.252 1.00 2.21 C ATOM 1339 O LYS A 86 8.675 9.401 3.142 1.00 14.33 O ATOM 1340 CB LYS A 86 9.902 10.040 6.207 1.00 72.23 C ATOM 1341 CG LYS A 86 10.817 10.971 5.422 1.00 33.34 C ATOM 1342 CD LYS A 86 10.186 12.347 5.241 1.00 22.13 C ATOM 1343 CE LYS A 86 11.127 13.304 4.528 1.00 44.22 C ATOM 1344 NZ LYS A 86 10.490 14.620 4.277 1.00 4.34 N ATOM 0 H LYS A 86 7.987 9.003 7.388 1.00 71.42 H new ATOM 0 HA LYS A 86 8.138 10.702 5.175 1.00 1.40 H new ATOM 0 HB2 LYS A 86 9.711 10.476 7.187 1.00 72.23 H new ATOM 0 HB3 LYS A 86 10.419 9.095 6.374 1.00 72.23 H new ATOM 0 HG2 LYS A 86 11.770 11.071 5.942 1.00 33.34 H new ATOM 0 HG3 LYS A 86 11.031 10.536 4.446 1.00 33.34 H new ATOM 0 HD2 LYS A 86 9.262 12.252 4.671 1.00 22.13 H new ATOM 0 HD3 LYS A 86 9.919 12.757 6.215 1.00 22.13 H new ATOM 0 HE2 LYS A 86 12.026 13.444 5.128 1.00 44.22 H new ATOM 0 HE3 LYS A 86 11.441 12.866 3.581 1.00 44.22 H new ATOM 0 HZ1 LYS A 86 11.224 15.354 4.212 1.00 4.34 H new ATOM 0 HZ2 LYS A 86 9.957 14.583 3.385 1.00 4.34 H new ATOM 0 HZ3 LYS A 86 9.842 14.847 5.058 1.00 4.34 H new ATOM 1358 N PRO A 87 9.016 7.543 4.388 1.00 21.53 N ATOM 1359 CA PRO A 87 9.175 6.660 3.218 1.00 4.54 C ATOM 1360 C PRO A 87 7.924 6.667 2.338 1.00 73.12 C ATOM 1361 O PRO A 87 8.007 6.603 1.106 1.00 23.51 O ATOM 1362 CB PRO A 87 9.391 5.265 3.832 1.00 13.54 C ATOM 1363 CG PRO A 87 8.927 5.386 5.245 1.00 61.23 C ATOM 1364 CD PRO A 87 9.195 6.803 5.648 1.00 75.21 C ATOM 0 HA PRO A 87 9.995 6.976 2.574 1.00 4.54 H new ATOM 0 HB2 PRO A 87 8.823 4.505 3.294 1.00 13.54 H new ATOM 0 HB3 PRO A 87 10.440 4.972 3.785 1.00 13.54 H new ATOM 0 HG2 PRO A 87 7.866 5.151 5.329 1.00 61.23 H new ATOM 0 HG3 PRO A 87 9.460 4.689 5.892 1.00 61.23 H new ATOM 0 HD2 PRO A 87 8.502 7.142 6.418 1.00 75.21 H new ATOM 0 HD3 PRO A 87 10.201 6.926 6.049 1.00 75.21 H new ATOM 1372 N PHE A 88 6.768 6.769 2.985 1.00 0.01 N ATOM 1373 CA PHE A 88 5.497 6.814 2.289 1.00 14.24 C ATOM 1374 C PHE A 88 5.391 8.132 1.522 1.00 33.13 C ATOM 1375 O PHE A 88 4.980 8.159 0.357 1.00 32.42 O ATOM 1376 CB PHE A 88 4.348 6.689 3.299 1.00 20.22 C ATOM 1377 CG PHE A 88 3.012 6.368 2.687 1.00 32.25 C ATOM 1378 CD1 PHE A 88 2.296 7.330 1.993 1.00 13.13 C ATOM 1379 CD2 PHE A 88 2.470 5.101 2.811 1.00 65.34 C ATOM 1380 CE1 PHE A 88 1.071 7.034 1.436 1.00 1.54 C ATOM 1381 CE2 PHE A 88 1.245 4.800 2.257 1.00 73.43 C ATOM 1382 CZ PHE A 88 0.544 5.769 1.567 1.00 1.44 C ATOM 0 H PHE A 88 6.690 6.822 4.001 1.00 0.01 H new ATOM 0 HA PHE A 88 5.432 5.984 1.585 1.00 14.24 H new ATOM 0 HB2 PHE A 88 4.599 5.912 4.021 1.00 20.22 H new ATOM 0 HB3 PHE A 88 4.265 7.624 3.853 1.00 20.22 H new ATOM 0 HD1 PHE A 88 2.703 8.325 1.887 1.00 13.13 H new ATOM 0 HD2 PHE A 88 3.014 4.339 3.349 1.00 65.34 H new ATOM 0 HE1 PHE A 88 0.525 7.794 0.897 1.00 1.54 H new ATOM 0 HE2 PHE A 88 0.833 3.807 2.362 1.00 73.43 H new ATOM 0 HZ PHE A 88 -0.416 5.535 1.131 1.00 1.44 H new ATOM 1392 N GLU A 89 5.773 9.219 2.190 1.00 64.51 N ATOM 1393 CA GLU A 89 5.785 10.546 1.586 1.00 13.34 C ATOM 1394 C GLU A 89 6.687 10.556 0.359 1.00 42.22 C ATOM 1395 O GLU A 89 6.297 11.022 -0.713 1.00 24.52 O ATOM 1396 CB GLU A 89 6.295 11.585 2.593 1.00 24.31 C ATOM 1397 CG GLU A 89 6.444 12.982 2.009 1.00 71.40 C ATOM 1398 CD GLU A 89 7.303 13.890 2.864 1.00 54.52 C ATOM 1399 OE1 GLU A 89 6.780 14.500 3.811 1.00 45.05 O ATOM 1400 OE2 GLU A 89 8.514 14.009 2.577 1.00 14.14 O ATOM 0 H GLU A 89 6.082 9.203 3.162 1.00 64.51 H new ATOM 0 HA GLU A 89 4.766 10.798 1.291 1.00 13.34 H new ATOM 0 HB2 GLU A 89 5.608 11.626 3.439 1.00 24.31 H new ATOM 0 HB3 GLU A 89 7.260 11.258 2.981 1.00 24.31 H new ATOM 0 HG2 GLU A 89 6.881 12.909 1.013 1.00 71.40 H new ATOM 0 HG3 GLU A 89 5.457 13.429 1.892 1.00 71.40 H new ATOM 1407 N ASP A 90 7.892 10.021 0.530 1.00 35.53 N ATOM 1408 CA ASP A 90 8.885 9.977 -0.536 1.00 10.41 C ATOM 1409 C ASP A 90 8.338 9.289 -1.775 1.00 11.04 C ATOM 1410 O ASP A 90 8.546 9.752 -2.895 1.00 51.13 O ATOM 1411 CB ASP A 90 10.154 9.267 -0.064 1.00 4.11 C ATOM 1412 CG ASP A 90 11.251 9.304 -1.107 1.00 42.04 C ATOM 1413 OD1 ASP A 90 11.852 10.382 -1.301 1.00 23.22 O ATOM 1414 OD2 ASP A 90 11.519 8.259 -1.737 1.00 63.04 O ATOM 0 H ASP A 90 8.206 9.608 1.408 1.00 35.53 H new ATOM 0 HA ASP A 90 9.130 11.007 -0.797 1.00 10.41 H new ATOM 0 HB2 ASP A 90 10.511 9.736 0.853 1.00 4.11 H new ATOM 0 HB3 ASP A 90 9.920 8.230 0.178 1.00 4.11 H new ATOM 1419 N ALA A 91 7.633 8.190 -1.572 1.00 25.32 N ATOM 1420 CA ALA A 91 7.044 7.451 -2.677 1.00 41.24 C ATOM 1421 C ALA A 91 5.876 8.222 -3.287 1.00 71.15 C ATOM 1422 O ALA A 91 5.725 8.275 -4.505 1.00 21.43 O ATOM 1423 CB ALA A 91 6.597 6.075 -2.216 1.00 12.31 C ATOM 0 H ALA A 91 7.454 7.789 -0.652 1.00 25.32 H new ATOM 0 HA ALA A 91 7.804 7.327 -3.448 1.00 41.24 H new ATOM 0 HB1 ALA A 91 6.158 5.535 -3.055 1.00 12.31 H new ATOM 0 HB2 ALA A 91 7.456 5.521 -1.837 1.00 12.31 H new ATOM 0 HB3 ALA A 91 5.855 6.180 -1.424 1.00 12.31 H new ATOM 1429 N SER A 92 5.068 8.834 -2.434 1.00 63.53 N ATOM 1430 CA SER A 92 3.910 9.601 -2.880 1.00 42.05 C ATOM 1431 C SER A 92 4.330 10.794 -3.735 1.00 63.20 C ATOM 1432 O SER A 92 3.757 11.048 -4.799 1.00 12.50 O ATOM 1433 CB SER A 92 3.106 10.082 -1.674 1.00 25.23 C ATOM 1434 OG SER A 92 2.648 8.985 -0.902 1.00 21.23 O ATOM 0 H SER A 92 5.193 8.815 -1.422 1.00 63.53 H new ATOM 0 HA SER A 92 3.289 8.948 -3.493 1.00 42.05 H new ATOM 0 HB2 SER A 92 3.724 10.734 -1.056 1.00 25.23 H new ATOM 0 HB3 SER A 92 2.256 10.675 -2.012 1.00 25.23 H new ATOM 0 HG SER A 92 1.692 8.845 -1.067 1.00 21.23 H new ATOM 1440 N PHE A 93 5.343 11.510 -3.277 1.00 62.04 N ATOM 1441 CA PHE A 93 5.831 12.686 -3.982 1.00 40.12 C ATOM 1442 C PHE A 93 6.711 12.305 -5.165 1.00 74.51 C ATOM 1443 O PHE A 93 7.121 13.163 -5.944 1.00 35.14 O ATOM 1444 CB PHE A 93 6.564 13.630 -3.024 1.00 2.00 C ATOM 1445 CG PHE A 93 5.634 14.402 -2.122 1.00 64.50 C ATOM 1446 CD1 PHE A 93 4.836 13.748 -1.197 1.00 25.44 C ATOM 1447 CD2 PHE A 93 5.556 15.782 -2.207 1.00 3.24 C ATOM 1448 CE1 PHE A 93 3.977 14.451 -0.378 1.00 2.21 C ATOM 1449 CE2 PHE A 93 4.699 16.492 -1.387 1.00 40.30 C ATOM 1450 CZ PHE A 93 3.906 15.825 -0.471 1.00 41.11 C ATOM 0 H PHE A 93 5.846 11.297 -2.416 1.00 62.04 H new ATOM 0 HA PHE A 93 4.966 13.216 -4.381 1.00 40.12 H new ATOM 0 HB2 PHE A 93 7.255 13.051 -2.412 1.00 2.00 H new ATOM 0 HB3 PHE A 93 7.163 14.332 -3.604 1.00 2.00 H new ATOM 0 HD1 PHE A 93 4.887 12.672 -1.116 1.00 25.44 H new ATOM 0 HD2 PHE A 93 6.171 16.309 -2.921 1.00 3.24 H new ATOM 0 HE1 PHE A 93 3.360 13.925 0.336 1.00 2.21 H new ATOM 0 HE2 PHE A 93 4.649 17.568 -1.462 1.00 40.30 H new ATOM 0 HZ PHE A 93 3.234 16.378 0.169 1.00 41.11 H new ATOM 1460 N ALA A 94 6.998 11.023 -5.293 1.00 64.12 N ATOM 1461 CA ALA A 94 7.750 10.529 -6.431 1.00 2.43 C ATOM 1462 C ALA A 94 6.790 10.188 -7.555 1.00 74.32 C ATOM 1463 O ALA A 94 7.146 10.225 -8.732 1.00 1.34 O ATOM 1464 CB ALA A 94 8.575 9.309 -6.047 1.00 72.41 C ATOM 0 H ALA A 94 6.722 10.305 -4.623 1.00 64.12 H new ATOM 0 HA ALA A 94 8.439 11.305 -6.766 1.00 2.43 H new ATOM 0 HB1 ALA A 94 9.130 8.957 -6.916 1.00 72.41 H new ATOM 0 HB2 ALA A 94 9.274 9.577 -5.255 1.00 72.41 H new ATOM 0 HB3 ALA A 94 7.913 8.518 -5.694 1.00 72.41 H new ATOM 1470 N LEU A 95 5.562 9.869 -7.171 1.00 22.35 N ATOM 1471 CA LEU A 95 4.512 9.528 -8.111 1.00 62.20 C ATOM 1472 C LEU A 95 3.799 10.780 -8.602 1.00 51.52 C ATOM 1473 O LEU A 95 4.116 11.901 -8.191 1.00 64.41 O ATOM 1474 CB LEU A 95 3.481 8.612 -7.442 1.00 4.45 C ATOM 1475 CG LEU A 95 3.988 7.269 -6.930 1.00 61.13 C ATOM 1476 CD1 LEU A 95 2.874 6.547 -6.191 1.00 5.25 C ATOM 1477 CD2 LEU A 95 4.508 6.416 -8.078 1.00 73.33 C ATOM 0 H LEU A 95 5.268 9.840 -6.195 1.00 22.35 H new ATOM 0 HA LEU A 95 4.974 9.018 -8.956 1.00 62.20 H new ATOM 0 HB2 LEU A 95 3.040 9.151 -6.604 1.00 4.45 H new ATOM 0 HB3 LEU A 95 2.680 8.423 -8.156 1.00 4.45 H new ATOM 0 HG LEU A 95 4.814 7.445 -6.241 1.00 61.13 H new ATOM 0 HD11 LEU A 95 3.241 5.587 -5.827 1.00 5.25 H new ATOM 0 HD12 LEU A 95 2.545 7.153 -5.347 1.00 5.25 H new ATOM 0 HD13 LEU A 95 2.036 6.382 -6.868 1.00 5.25 H new ATOM 0 HD21 LEU A 95 4.865 5.462 -7.690 1.00 73.33 H new ATOM 0 HD22 LEU A 95 3.704 6.239 -8.793 1.00 73.33 H new ATOM 0 HD23 LEU A 95 5.328 6.935 -8.575 1.00 73.33 H new ATOM 1489 N ARG A 96 2.829 10.578 -9.467 1.00 53.10 N ATOM 1490 CA ARG A 96 2.019 11.654 -9.992 1.00 44.22 C ATOM 1491 C ARG A 96 0.551 11.295 -9.860 1.00 13.21 C ATOM 1492 O ARG A 96 0.218 10.198 -9.405 1.00 74.24 O ATOM 1493 CB ARG A 96 2.375 11.937 -11.454 1.00 40.43 C ATOM 1494 CG ARG A 96 3.748 12.558 -11.630 1.00 10.24 C ATOM 1495 CD ARG A 96 4.059 12.845 -13.085 1.00 24.35 C ATOM 1496 NE ARG A 96 5.354 13.508 -13.229 1.00 60.42 N ATOM 1497 CZ ARG A 96 6.017 13.640 -14.374 1.00 64.14 C ATOM 1498 NH1 ARG A 96 5.517 13.146 -15.504 1.00 54.21 N ATOM 1499 NH2 ARG A 96 7.187 14.266 -14.389 1.00 34.44 N ATOM 0 H ARG A 96 2.579 9.657 -9.828 1.00 53.10 H new ATOM 0 HA ARG A 96 2.218 12.559 -9.418 1.00 44.22 H new ATOM 0 HB2 ARG A 96 2.331 11.005 -12.018 1.00 40.43 H new ATOM 0 HB3 ARG A 96 1.625 12.604 -11.880 1.00 40.43 H new ATOM 0 HG2 ARG A 96 3.803 13.484 -11.058 1.00 10.24 H new ATOM 0 HG3 ARG A 96 4.504 11.887 -11.223 1.00 10.24 H new ATOM 0 HD2 ARG A 96 4.060 11.913 -13.650 1.00 24.35 H new ATOM 0 HD3 ARG A 96 3.276 13.474 -13.509 1.00 24.35 H new ATOM 0 HE ARG A 96 5.781 13.898 -12.389 1.00 60.42 H new ATOM 0 HH11 ARG A 96 4.619 12.662 -15.496 1.00 54.21 H new ATOM 0 HH12 ARG A 96 6.032 13.251 -16.378 1.00 54.21 H new ATOM 0 HH21 ARG A 96 7.574 14.644 -13.524 1.00 34.44 H new ATOM 0 HH22 ARG A 96 7.699 14.369 -15.265 1.00 34.44 H new ATOM 1513 N THR A 97 -0.317 12.210 -10.235 1.00 10.04 N ATOM 1514 CA THR A 97 -1.747 11.985 -10.162 1.00 54.14 C ATOM 1515 C THR A 97 -2.164 10.800 -11.044 1.00 33.30 C ATOM 1516 O THR A 97 -2.092 10.867 -12.278 1.00 62.25 O ATOM 1517 CB THR A 97 -2.518 13.252 -10.586 1.00 22.32 C ATOM 1518 OG1 THR A 97 -2.160 14.342 -9.722 1.00 42.52 O ATOM 1519 CG2 THR A 97 -4.024 13.032 -10.529 1.00 64.45 C ATOM 0 H THR A 97 -0.055 13.127 -10.597 1.00 10.04 H new ATOM 0 HA THR A 97 -1.994 11.750 -9.127 1.00 54.14 H new ATOM 0 HB THR A 97 -2.248 13.485 -11.616 1.00 22.32 H new ATOM 0 HG1 THR A 97 -2.146 14.032 -8.793 1.00 42.52 H new ATOM 0 HG21 THR A 97 -4.537 13.944 -10.834 1.00 64.45 H new ATOM 0 HG22 THR A 97 -4.299 12.219 -11.201 1.00 64.45 H new ATOM 0 HG23 THR A 97 -4.316 12.775 -9.511 1.00 64.45 H new ATOM 1527 N GLY A 98 -2.559 9.711 -10.402 1.00 1.33 N ATOM 1528 CA GLY A 98 -2.993 8.539 -11.123 1.00 55.41 C ATOM 1529 C GLY A 98 -1.902 7.496 -11.244 1.00 51.31 C ATOM 1530 O GLY A 98 -1.995 6.587 -12.068 1.00 23.22 O ATOM 0 H GLY A 98 -2.586 9.621 -9.386 1.00 1.33 H new ATOM 0 HA2 GLY A 98 -3.854 8.103 -10.616 1.00 55.41 H new ATOM 0 HA3 GLY A 98 -3.324 8.831 -12.120 1.00 55.41 H new ATOM 1534 N GLU A 99 -0.865 7.623 -10.432 1.00 52.22 N ATOM 1535 CA GLU A 99 0.242 6.677 -10.464 1.00 53.41 C ATOM 1536 C GLU A 99 0.259 5.808 -9.219 1.00 72.42 C ATOM 1537 O GLU A 99 -0.135 6.246 -8.138 1.00 72.44 O ATOM 1538 CB GLU A 99 1.576 7.404 -10.610 1.00 64.04 C ATOM 1539 CG GLU A 99 1.742 8.113 -11.938 1.00 51.40 C ATOM 1540 CD GLU A 99 1.512 7.189 -13.107 1.00 24.43 C ATOM 1541 OE1 GLU A 99 2.293 6.227 -13.275 1.00 64.22 O ATOM 1542 OE2 GLU A 99 0.539 7.405 -13.860 1.00 54.02 O ATOM 0 H GLU A 99 -0.765 8.369 -9.744 1.00 52.22 H new ATOM 0 HA GLU A 99 0.096 6.033 -11.332 1.00 53.41 H new ATOM 0 HB2 GLU A 99 1.672 8.132 -9.805 1.00 64.04 H new ATOM 0 HB3 GLU A 99 2.386 6.685 -10.488 1.00 64.04 H new ATOM 0 HG2 GLU A 99 1.043 8.947 -11.993 1.00 51.40 H new ATOM 0 HG3 GLU A 99 2.746 8.534 -12.001 1.00 51.40 H new ATOM 1549 N MET A 100 0.717 4.580 -9.376 1.00 65.04 N ATOM 1550 CA MET A 100 0.776 3.641 -8.274 1.00 53.11 C ATOM 1551 C MET A 100 2.167 3.031 -8.168 1.00 33.15 C ATOM 1552 O MET A 100 2.707 2.522 -9.147 1.00 32.10 O ATOM 1553 CB MET A 100 -0.285 2.554 -8.455 1.00 31.13 C ATOM 1554 CG MET A 100 -0.390 1.581 -7.294 1.00 23.44 C ATOM 1555 SD MET A 100 -1.911 0.607 -7.343 1.00 33.02 S ATOM 1556 CE MET A 100 -1.756 -0.202 -8.929 1.00 50.23 C ATOM 0 H MET A 100 1.056 4.209 -10.264 1.00 65.04 H new ATOM 0 HA MET A 100 0.570 4.173 -7.345 1.00 53.11 H new ATOM 0 HB2 MET A 100 -1.254 3.030 -8.603 1.00 31.13 H new ATOM 0 HB3 MET A 100 -0.063 1.994 -9.364 1.00 31.13 H new ATOM 0 HG2 MET A 100 0.468 0.909 -7.308 1.00 23.44 H new ATOM 0 HG3 MET A 100 -0.346 2.134 -6.356 1.00 23.44 H new ATOM 0 HE1 MET A 100 -2.066 -1.243 -8.838 1.00 50.23 H new ATOM 0 HE2 MET A 100 -2.389 0.303 -9.659 1.00 50.23 H new ATOM 0 HE3 MET A 100 -0.718 -0.160 -9.259 1.00 50.23 H new ATOM 1566 N SER A 101 2.738 3.094 -6.980 1.00 32.35 N ATOM 1567 CA SER A 101 4.075 2.584 -6.737 1.00 42.10 C ATOM 1568 C SER A 101 4.044 1.082 -6.484 1.00 0.34 C ATOM 1569 O SER A 101 2.994 0.519 -6.162 1.00 63.25 O ATOM 1570 CB SER A 101 4.708 3.312 -5.539 1.00 43.52 C ATOM 1571 OG SER A 101 6.054 2.910 -5.334 1.00 53.02 O ATOM 0 H SER A 101 2.290 3.499 -6.158 1.00 32.35 H new ATOM 0 HA SER A 101 4.680 2.768 -7.625 1.00 42.10 H new ATOM 0 HB2 SER A 101 4.671 4.389 -5.706 1.00 43.52 H new ATOM 0 HB3 SER A 101 4.126 3.108 -4.640 1.00 43.52 H new ATOM 0 HG SER A 101 6.426 3.393 -4.567 1.00 53.02 H new ATOM 1577 N GLY A 102 5.201 0.444 -6.629 1.00 34.30 N ATOM 1578 CA GLY A 102 5.305 -0.976 -6.402 1.00 44.23 C ATOM 1579 C GLY A 102 5.526 -1.313 -4.940 1.00 5.55 C ATOM 1580 O GLY A 102 4.920 -0.699 -4.063 1.00 41.50 O ATOM 0 H GLY A 102 6.074 0.895 -6.903 1.00 34.30 H new ATOM 0 HA2 GLY A 102 4.395 -1.465 -6.751 1.00 44.23 H new ATOM 0 HA3 GLY A 102 6.129 -1.376 -6.993 1.00 44.23 H new ATOM 1584 N PRO A 103 6.402 -2.284 -4.646 1.00 40.43 N ATOM 1585 CA PRO A 103 6.685 -2.709 -3.273 1.00 0.35 C ATOM 1586 C PRO A 103 7.359 -1.614 -2.444 1.00 3.34 C ATOM 1587 O PRO A 103 8.537 -1.301 -2.644 1.00 71.22 O ATOM 1588 CB PRO A 103 7.641 -3.902 -3.447 1.00 72.11 C ATOM 1589 CG PRO A 103 7.517 -4.300 -4.880 1.00 31.13 C ATOM 1590 CD PRO A 103 7.183 -3.047 -5.626 1.00 3.23 C ATOM 0 HA PRO A 103 5.768 -2.952 -2.736 1.00 0.35 H new ATOM 0 HB2 PRO A 103 8.666 -3.623 -3.203 1.00 72.11 H new ATOM 0 HB3 PRO A 103 7.368 -4.724 -2.785 1.00 72.11 H new ATOM 0 HG2 PRO A 103 8.446 -4.737 -5.246 1.00 31.13 H new ATOM 0 HG3 PRO A 103 6.739 -5.052 -5.011 1.00 31.13 H new ATOM 0 HD2 PRO A 103 8.079 -2.510 -5.936 1.00 3.23 H new ATOM 0 HD3 PRO A 103 6.608 -3.255 -6.528 1.00 3.23 H new ATOM 1598 N VAL A 104 6.600 -1.018 -1.538 1.00 52.54 N ATOM 1599 CA VAL A 104 7.123 0.016 -0.657 1.00 5.22 C ATOM 1600 C VAL A 104 7.168 -0.483 0.784 1.00 42.21 C ATOM 1601 O VAL A 104 6.150 -0.911 1.333 1.00 54.21 O ATOM 1602 CB VAL A 104 6.269 1.308 -0.720 1.00 0.31 C ATOM 1603 CG1 VAL A 104 6.866 2.395 0.166 1.00 23.12 C ATOM 1604 CG2 VAL A 104 6.140 1.798 -2.155 1.00 61.20 C ATOM 0 H VAL A 104 5.614 -1.234 -1.393 1.00 52.54 H new ATOM 0 HA VAL A 104 8.131 0.249 -0.999 1.00 5.22 H new ATOM 0 HB VAL A 104 5.272 1.074 -0.347 1.00 0.31 H new ATOM 0 HG11 VAL A 104 6.250 3.292 0.106 1.00 23.12 H new ATOM 0 HG12 VAL A 104 6.899 2.046 1.198 1.00 23.12 H new ATOM 0 HG13 VAL A 104 7.877 2.625 -0.172 1.00 23.12 H new ATOM 0 HG21 VAL A 104 5.537 2.706 -2.177 1.00 61.20 H new ATOM 0 HG22 VAL A 104 7.130 2.011 -2.557 1.00 61.20 H new ATOM 0 HG23 VAL A 104 5.660 1.029 -2.760 1.00 61.20 H new ATOM 1614 N PHE A 105 8.345 -0.442 1.378 1.00 3.00 N ATOM 1615 CA PHE A 105 8.530 -0.866 2.758 1.00 3.41 C ATOM 1616 C PHE A 105 8.499 0.345 3.680 1.00 53.34 C ATOM 1617 O PHE A 105 9.259 1.297 3.487 1.00 61.51 O ATOM 1618 CB PHE A 105 9.858 -1.611 2.912 1.00 63.41 C ATOM 1619 CG PHE A 105 9.916 -2.928 2.184 1.00 62.44 C ATOM 1620 CD1 PHE A 105 10.174 -2.977 0.822 1.00 71.01 C ATOM 1621 CD2 PHE A 105 9.715 -4.115 2.864 1.00 44.42 C ATOM 1622 CE1 PHE A 105 10.230 -4.187 0.157 1.00 31.11 C ATOM 1623 CE2 PHE A 105 9.771 -5.328 2.205 1.00 53.13 C ATOM 1624 CZ PHE A 105 10.028 -5.363 0.849 1.00 25.04 C ATOM 0 H PHE A 105 9.198 -0.116 0.923 1.00 3.00 H new ATOM 0 HA PHE A 105 7.719 -1.542 3.030 1.00 3.41 H new ATOM 0 HB2 PHE A 105 10.664 -0.973 2.550 1.00 63.41 H new ATOM 0 HB3 PHE A 105 10.042 -1.786 3.972 1.00 63.41 H new ATOM 0 HD1 PHE A 105 10.333 -2.059 0.275 1.00 71.01 H new ATOM 0 HD2 PHE A 105 9.512 -4.094 3.924 1.00 44.42 H new ATOM 0 HE1 PHE A 105 10.432 -4.212 -0.904 1.00 31.11 H new ATOM 0 HE2 PHE A 105 9.614 -6.247 2.750 1.00 53.13 H new ATOM 0 HZ PHE A 105 10.071 -6.310 0.331 1.00 25.04 H new ATOM 1634 N THR A 106 7.626 0.321 4.669 1.00 13.12 N ATOM 1635 CA THR A 106 7.501 1.445 5.577 1.00 15.13 C ATOM 1636 C THR A 106 7.939 1.096 6.997 1.00 24.33 C ATOM 1637 O THR A 106 8.879 1.690 7.530 1.00 4.44 O ATOM 1638 CB THR A 106 6.053 1.981 5.616 1.00 51.21 C ATOM 1639 OG1 THR A 106 5.152 0.919 5.961 1.00 33.11 O ATOM 1640 CG2 THR A 106 5.654 2.570 4.268 1.00 15.02 C ATOM 0 H THR A 106 6.997 -0.458 4.863 1.00 13.12 H new ATOM 0 HA THR A 106 8.165 2.218 5.189 1.00 15.13 H new ATOM 0 HB THR A 106 5.999 2.768 6.368 1.00 51.21 H new ATOM 0 HG1 THR A 106 4.970 0.944 6.924 1.00 33.11 H new ATOM 0 HG21 THR A 106 4.630 2.940 4.321 1.00 15.02 H new ATOM 0 HG22 THR A 106 6.325 3.392 4.017 1.00 15.02 H new ATOM 0 HG23 THR A 106 5.721 1.799 3.500 1.00 15.02 H new ATOM 1648 N ASP A 107 7.266 0.126 7.603 1.00 22.23 N ATOM 1649 CA ASP A 107 7.530 -0.216 8.991 1.00 33.21 C ATOM 1650 C ASP A 107 7.393 -1.713 9.257 1.00 25.14 C ATOM 1651 O ASP A 107 8.309 -2.335 9.792 1.00 63.02 O ATOM 1652 CB ASP A 107 6.589 0.577 9.921 1.00 71.31 C ATOM 1653 CG ASP A 107 5.120 0.258 9.699 1.00 51.34 C ATOM 1654 OD1 ASP A 107 4.593 0.569 8.608 1.00 50.55 O ATOM 1655 OD2 ASP A 107 4.493 -0.336 10.601 1.00 41.10 O ATOM 0 H ASP A 107 6.539 -0.433 7.157 1.00 22.23 H new ATOM 0 HA ASP A 107 8.565 0.055 9.200 1.00 33.21 H new ATOM 0 HB2 ASP A 107 6.848 0.363 10.958 1.00 71.31 H new ATOM 0 HB3 ASP A 107 6.750 1.644 9.766 1.00 71.31 H new ATOM 1660 N SER A 108 6.264 -2.289 8.884 1.00 34.45 N ATOM 1661 CA SER A 108 6.017 -3.689 9.157 1.00 74.23 C ATOM 1662 C SER A 108 5.952 -4.516 7.878 1.00 50.24 C ATOM 1663 O SER A 108 6.662 -5.518 7.736 1.00 2.44 O ATOM 1664 CB SER A 108 4.720 -3.847 9.947 1.00 64.02 C ATOM 1665 OG SER A 108 4.726 -3.035 11.114 1.00 35.52 O ATOM 0 H SER A 108 5.509 -1.810 8.394 1.00 34.45 H new ATOM 0 HA SER A 108 6.853 -4.061 9.748 1.00 74.23 H new ATOM 0 HB2 SER A 108 3.872 -3.577 9.317 1.00 64.02 H new ATOM 0 HB3 SER A 108 4.588 -4.892 10.228 1.00 64.02 H new ATOM 0 HG SER A 108 4.674 -2.091 10.856 1.00 35.52 H new ATOM 1671 N GLY A 109 5.108 -4.107 6.951 1.00 63.05 N ATOM 1672 CA GLY A 109 4.955 -4.861 5.735 1.00 43.32 C ATOM 1673 C GLY A 109 5.101 -4.013 4.504 1.00 41.53 C ATOM 1674 O GLY A 109 5.506 -2.849 4.584 1.00 21.12 O ATOM 0 H GLY A 109 4.529 -3.270 7.019 1.00 63.05 H new ATOM 0 HA2 GLY A 109 5.697 -5.659 5.711 1.00 43.32 H new ATOM 0 HA3 GLY A 109 3.975 -5.337 5.729 1.00 43.32 H new ATOM 1678 N ILE A 110 4.760 -4.588 3.370 1.00 60.41 N ATOM 1679 CA ILE A 110 4.856 -3.903 2.102 1.00 73.13 C ATOM 1680 C ILE A 110 3.542 -3.196 1.806 1.00 64.54 C ATOM 1681 O ILE A 110 2.465 -3.744 2.062 1.00 30.15 O ATOM 1682 CB ILE A 110 5.170 -4.891 0.953 1.00 42.23 C ATOM 1683 CG1 ILE A 110 6.332 -5.812 1.338 1.00 32.33 C ATOM 1684 CG2 ILE A 110 5.499 -4.129 -0.322 1.00 13.31 C ATOM 1685 CD1 ILE A 110 6.628 -6.888 0.310 1.00 25.13 C ATOM 0 H ILE A 110 4.409 -5.543 3.303 1.00 60.41 H new ATOM 0 HA ILE A 110 5.668 -3.179 2.168 1.00 73.13 H new ATOM 0 HB ILE A 110 4.288 -5.506 0.775 1.00 42.23 H new ATOM 0 HG12 ILE A 110 7.228 -5.209 1.487 1.00 32.33 H new ATOM 0 HG13 ILE A 110 6.106 -6.287 2.293 1.00 32.33 H new ATOM 0 HG21 ILE A 110 5.718 -4.836 -1.122 1.00 13.31 H new ATOM 0 HG22 ILE A 110 4.647 -3.511 -0.607 1.00 13.31 H new ATOM 0 HG23 ILE A 110 6.368 -3.493 -0.152 1.00 13.31 H new ATOM 0 HD11 ILE A 110 7.462 -7.499 0.653 1.00 25.13 H new ATOM 0 HD12 ILE A 110 5.748 -7.517 0.178 1.00 25.13 H new ATOM 0 HD13 ILE A 110 6.887 -6.422 -0.641 1.00 25.13 H new ATOM 1697 N HIS A 111 3.625 -1.986 1.296 1.00 31.22 N ATOM 1698 CA HIS A 111 2.435 -1.221 0.976 1.00 30.51 C ATOM 1699 C HIS A 111 2.382 -0.875 -0.491 1.00 34.44 C ATOM 1700 O HIS A 111 3.414 -0.643 -1.121 1.00 61.14 O ATOM 1701 CB HIS A 111 2.371 0.079 1.786 1.00 14.52 C ATOM 1702 CG HIS A 111 2.217 -0.107 3.257 1.00 52.52 C ATOM 1703 ND1 HIS A 111 1.010 0.009 3.913 1.00 24.44 N ATOM 1704 CD2 HIS A 111 3.131 -0.361 4.209 1.00 24.44 C ATOM 1705 CE1 HIS A 111 1.197 -0.160 5.203 1.00 51.53 C ATOM 1706 NE2 HIS A 111 2.475 -0.387 5.410 1.00 15.50 N ATOM 0 H HIS A 111 4.504 -1.509 1.093 1.00 31.22 H new ATOM 0 HA HIS A 111 1.583 -1.851 1.232 1.00 30.51 H new ATOM 0 HB2 HIS A 111 3.280 0.652 1.600 1.00 14.52 H new ATOM 0 HB3 HIS A 111 1.537 0.677 1.420 1.00 14.52 H new ATOM 0 HD2 HIS A 111 4.189 -0.516 4.055 1.00 24.44 H new ATOM 0 HE1 HIS A 111 0.431 -0.119 5.963 1.00 51.53 H new ATOM 0 HE2 HIS A 111 2.908 -0.555 6.318 1.00 15.50 H new ATOM 1715 N ILE A 112 1.182 -0.853 -1.025 1.00 74.11 N ATOM 1716 CA ILE A 112 0.956 -0.410 -2.383 1.00 70.34 C ATOM 1717 C ILE A 112 0.434 1.011 -2.317 1.00 54.22 C ATOM 1718 O ILE A 112 -0.623 1.254 -1.733 1.00 52.24 O ATOM 1719 CB ILE A 112 -0.084 -1.288 -3.117 1.00 23.43 C ATOM 1720 CG1 ILE A 112 0.297 -2.763 -3.023 1.00 23.22 C ATOM 1721 CG2 ILE A 112 -0.188 -0.863 -4.577 1.00 63.30 C ATOM 1722 CD1 ILE A 112 -0.700 -3.700 -3.680 1.00 33.04 C ATOM 0 H ILE A 112 0.337 -1.141 -0.532 1.00 74.11 H new ATOM 0 HA ILE A 112 1.893 -0.479 -2.936 1.00 70.34 H new ATOM 0 HB ILE A 112 -1.054 -1.152 -2.638 1.00 23.43 H new ATOM 0 HG12 ILE A 112 1.274 -2.906 -3.485 1.00 23.22 H new ATOM 0 HG13 ILE A 112 0.399 -3.035 -1.973 1.00 23.22 H new ATOM 0 HG21 ILE A 112 -0.923 -1.487 -5.086 1.00 63.30 H new ATOM 0 HG22 ILE A 112 -0.498 0.181 -4.631 1.00 63.30 H new ATOM 0 HG23 ILE A 112 0.783 -0.978 -5.060 1.00 63.30 H new ATOM 0 HD11 ILE A 112 -0.359 -4.729 -3.571 1.00 33.04 H new ATOM 0 HD12 ILE A 112 -1.674 -3.588 -3.203 1.00 33.04 H new ATOM 0 HD13 ILE A 112 -0.785 -3.456 -4.739 1.00 33.04 H new ATOM 1734 N ILE A 113 1.175 1.941 -2.873 1.00 33.02 N ATOM 1735 CA ILE A 113 0.799 3.341 -2.798 1.00 33.01 C ATOM 1736 C ILE A 113 0.214 3.837 -4.109 1.00 61.04 C ATOM 1737 O ILE A 113 0.917 3.949 -5.113 1.00 13.42 O ATOM 1738 CB ILE A 113 2.003 4.229 -2.399 1.00 13.14 C ATOM 1739 CG1 ILE A 113 2.581 3.760 -1.059 1.00 73.51 C ATOM 1740 CG2 ILE A 113 1.587 5.696 -2.320 1.00 43.20 C ATOM 1741 CD1 ILE A 113 3.789 4.546 -0.602 1.00 4.25 C ATOM 0 H ILE A 113 2.040 1.758 -3.382 1.00 33.02 H new ATOM 0 HA ILE A 113 0.033 3.417 -2.026 1.00 33.01 H new ATOM 0 HB ILE A 113 2.774 4.136 -3.164 1.00 13.14 H new ATOM 0 HG12 ILE A 113 1.805 3.829 -0.296 1.00 73.51 H new ATOM 0 HG13 ILE A 113 2.854 2.708 -1.141 1.00 73.51 H new ATOM 0 HG21 ILE A 113 2.447 6.303 -2.038 1.00 43.20 H new ATOM 0 HG22 ILE A 113 1.215 6.022 -3.292 1.00 43.20 H new ATOM 0 HG23 ILE A 113 0.801 5.812 -1.574 1.00 43.20 H new ATOM 0 HD11 ILE A 113 4.139 4.153 0.353 1.00 4.25 H new ATOM 0 HD12 ILE A 113 4.583 4.457 -1.343 1.00 4.25 H new ATOM 0 HD13 ILE A 113 3.518 5.595 -0.485 1.00 4.25 H new ATOM 1753 N LEU A 114 -1.072 4.118 -4.093 1.00 62.13 N ATOM 1754 CA LEU A 114 -1.760 4.647 -5.253 1.00 31.02 C ATOM 1755 C LEU A 114 -2.059 6.121 -5.047 1.00 32.05 C ATOM 1756 O LEU A 114 -2.923 6.477 -4.247 1.00 10.20 O ATOM 1757 CB LEU A 114 -3.069 3.883 -5.501 1.00 52.34 C ATOM 1758 CG LEU A 114 -3.998 4.474 -6.576 1.00 72.43 C ATOM 1759 CD1 LEU A 114 -3.365 4.389 -7.955 1.00 61.13 C ATOM 1760 CD2 LEU A 114 -5.346 3.774 -6.560 1.00 45.22 C ATOM 0 H LEU A 114 -1.670 3.987 -3.277 1.00 62.13 H new ATOM 0 HA LEU A 114 -1.115 4.525 -6.123 1.00 31.02 H new ATOM 0 HB2 LEU A 114 -2.822 2.860 -5.784 1.00 52.34 H new ATOM 0 HB3 LEU A 114 -3.620 3.830 -4.562 1.00 52.34 H new ATOM 0 HG LEU A 114 -4.153 5.528 -6.344 1.00 72.43 H new ATOM 0 HD11 LEU A 114 -4.044 4.814 -8.694 1.00 61.13 H new ATOM 0 HD12 LEU A 114 -2.428 4.946 -7.960 1.00 61.13 H new ATOM 0 HD13 LEU A 114 -3.168 3.346 -8.201 1.00 61.13 H new ATOM 0 HD21 LEU A 114 -5.989 4.206 -7.327 1.00 45.22 H new ATOM 0 HD22 LEU A 114 -5.207 2.711 -6.759 1.00 45.22 H new ATOM 0 HD23 LEU A 114 -5.811 3.902 -5.582 1.00 45.22 H new ATOM 1772 N ARG A 115 -1.341 6.975 -5.748 1.00 14.42 N ATOM 1773 CA ARG A 115 -1.571 8.397 -5.642 1.00 73.40 C ATOM 1774 C ARG A 115 -2.684 8.805 -6.583 1.00 64.10 C ATOM 1775 O ARG A 115 -2.478 8.945 -7.787 1.00 21.35 O ATOM 1776 CB ARG A 115 -0.302 9.200 -5.935 1.00 21.23 C ATOM 1777 CG ARG A 115 -0.513 10.706 -5.864 1.00 71.10 C ATOM 1778 CD ARG A 115 0.771 11.467 -6.126 1.00 74.13 C ATOM 1779 NE ARG A 115 0.542 12.913 -6.200 1.00 33.05 N ATOM 1780 CZ ARG A 115 1.511 13.831 -6.169 1.00 32.12 C ATOM 1781 NH1 ARG A 115 2.778 13.462 -6.009 1.00 20.40 N ATOM 1782 NH2 ARG A 115 1.210 15.116 -6.282 1.00 24.11 N ATOM 0 H ARG A 115 -0.597 6.709 -6.393 1.00 14.42 H new ATOM 0 HA ARG A 115 -1.864 8.617 -4.616 1.00 73.40 H new ATOM 0 HB2 ARG A 115 0.473 8.915 -5.223 1.00 21.23 H new ATOM 0 HB3 ARG A 115 0.065 8.938 -6.927 1.00 21.23 H new ATOM 0 HG2 ARG A 115 -1.266 11.002 -6.594 1.00 71.10 H new ATOM 0 HG3 ARG A 115 -0.900 10.973 -4.880 1.00 71.10 H new ATOM 0 HD2 ARG A 115 1.488 11.253 -5.334 1.00 74.13 H new ATOM 0 HD3 ARG A 115 1.214 11.121 -7.060 1.00 74.13 H new ATOM 0 HE ARG A 115 -0.421 13.239 -6.280 1.00 33.05 H new ATOM 0 HH11 ARG A 115 3.013 12.474 -5.909 1.00 20.40 H new ATOM 0 HH12 ARG A 115 3.515 14.166 -5.986 1.00 20.40 H new ATOM 0 HH21 ARG A 115 0.238 15.404 -6.393 1.00 24.11 H new ATOM 0 HH22 ARG A 115 1.950 15.817 -6.258 1.00 24.11 H new ATOM 1796 N THR A 116 -3.861 8.968 -6.033 1.00 52.23 N ATOM 1797 CA THR A 116 -5.020 9.342 -6.799 1.00 15.51 C ATOM 1798 C THR A 116 -4.950 10.818 -7.193 1.00 14.01 C ATOM 1799 O THR A 116 -5.324 11.192 -8.306 1.00 24.33 O ATOM 1800 CB THR A 116 -6.297 9.085 -5.983 1.00 13.31 C ATOM 1801 OG1 THR A 116 -6.241 7.767 -5.423 1.00 74.24 O ATOM 1802 CG2 THR A 116 -7.539 9.211 -6.851 1.00 5.51 C ATOM 0 H THR A 116 -4.042 8.844 -5.037 1.00 52.23 H new ATOM 0 HA THR A 116 -5.043 8.737 -7.705 1.00 15.51 H new ATOM 0 HB THR A 116 -6.356 9.831 -5.191 1.00 13.31 H new ATOM 0 HG1 THR A 116 -7.053 7.599 -4.900 1.00 74.24 H new ATOM 0 HG21 THR A 116 -8.426 9.024 -6.246 1.00 5.51 H new ATOM 0 HG22 THR A 116 -7.590 10.216 -7.269 1.00 5.51 H new ATOM 0 HG23 THR A 116 -7.492 8.483 -7.661 1.00 5.51 H new ATOM 1810 N GLU A 117 -4.453 11.644 -6.281 1.00 32.52 N ATOM 1811 CA GLU A 117 -4.353 13.078 -6.510 1.00 44.22 C ATOM 1812 C GLU A 117 -3.030 13.609 -5.971 1.00 73.21 C ATOM 1813 O GLU A 117 -2.092 13.816 -6.781 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.531 13.810 -5.848 1.00 15.13 C ATOM 1815 CG GLU A 117 -6.892 13.413 -6.404 1.00 34.11 C ATOM 1816 CD GLU A 117 -8.045 13.985 -5.613 1.00 3.51 C ATOM 1817 OE1 GLU A 117 -8.173 15.224 -5.541 1.00 40.01 O ATOM 1818 OE2 GLU A 117 -8.851 13.195 -5.074 1.00 30.43 O ATOM 1819 OXT GLU A 117 -2.926 13.802 -4.739 1.00 0.00 O ATOM 0 H GLU A 117 -4.111 11.341 -5.369 1.00 32.52 H new ATOM 0 HA GLU A 117 -4.390 13.261 -7.584 1.00 44.22 H new ATOM 0 HB2 GLU A 117 -5.514 13.611 -4.776 1.00 15.13 H new ATOM 0 HB3 GLU A 117 -5.396 14.884 -5.975 1.00 15.13 H new ATOM 0 HG2 GLU A 117 -6.967 13.748 -7.438 1.00 34.11 H new ATOM 0 HG3 GLU A 117 -6.970 12.326 -6.415 1.00 34.11 H new