USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 722 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 15 TYR OH : rot -80:sc= 1.14 USER MOD Set 1.2: A 45 SER OG : rot 58:sc= -0.869 USER MOD Set 1.3: A 49 LYS NZ :NH3+ -142:sc= 1.15 (180deg=-0.312) USER MOD Set 2.1: A 22 CYS SG : rot -81:sc= 0.297 USER MOD Set 2.2: A 44 CYS SG : rot 76:sc= 0.915 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -171:sc= -0.851 (180deg=-1.33) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 14 SER OG : rot 170:sc= 0.00337 USER MOD Single : A 20 GLN : amide:sc= -3.16! C(o=-3.2!,f=-9.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-0.021) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -1.57 (180deg=-3.95!) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc=-0.00247 (180deg=-0.102) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -0.391 (180deg=-2.29!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 38 SER OG : rot 92:sc= 1.27 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.858) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -92:sc= 1.28 USER MOD Single : A 51 MET CE :methyl -175:sc= -3.2 (180deg=-3.34!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.088 (180deg=-0.407) USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= 1.67 (180deg=0.472) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 1.3 (180deg=0.372) USER MOD Single : A 62 MET CE :methyl 157:sc= -2.76! (180deg=-3.75!) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0928) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : B 20 SER OG : rot -84:sc= 0.344 USER MOD Single : B 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.105) USER MOD Single : B 44 MET CE :methyl -161:sc= -1.59 (180deg=-2.37!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0078 X(o=-0.0078,f=-0.0078) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 9.658 10.683 -0.823 1.00 0.00 N ATOM 110 CA PRO A 8 8.923 9.947 0.193 1.00 0.00 C ATOM 111 C PRO A 8 7.852 9.073 -0.454 1.00 0.00 C ATOM 112 O PRO A 8 7.074 9.551 -1.278 1.00 0.00 O ATOM 113 CB PRO A 8 8.277 11.046 1.051 1.00 0.00 C ATOM 114 CG PRO A 8 8.841 12.340 0.550 1.00 0.00 C ATOM 115 CD PRO A 8 9.253 12.090 -0.867 1.00 0.00 C ATOM 0 HA PRO A 8 9.558 9.279 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.191 11.029 0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.506 10.903 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.099 13.136 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.692 12.654 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.433 12.257 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.072 12.741 -1.175 1.00 0.00 H new ATOM 123 N ARG A 9 7.821 7.793 -0.090 1.00 0.00 N ATOM 124 CA ARG A 9 6.892 6.840 -0.699 1.00 0.00 C ATOM 125 C ARG A 9 5.443 7.196 -0.362 1.00 0.00 C ATOM 126 O ARG A 9 4.510 6.736 -1.021 1.00 0.00 O ATOM 127 CB ARG A 9 7.216 5.409 -0.241 1.00 0.00 C ATOM 128 CG ARG A 9 6.421 4.935 0.964 1.00 0.00 C ATOM 129 CD ARG A 9 7.260 4.046 1.859 1.00 0.00 C ATOM 130 NE ARG A 9 8.420 4.747 2.400 1.00 0.00 N ATOM 131 CZ ARG A 9 9.092 4.344 3.475 1.00 0.00 C ATOM 132 NH1 ARG A 9 8.771 3.205 4.080 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 10.102 5.072 3.932 1.00 0.00 N ATOM 0 H ARG A 9 8.428 7.390 0.624 1.00 0.00 H new ATOM 0 HA ARG A 9 7.010 6.895 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.034 4.726 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.279 5.349 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.067 5.796 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.539 4.389 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.646 3.676 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.594 3.176 1.294 1.00 0.00 H new ATOM 0 HE ARG A 9 8.733 5.594 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.006 2.635 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.290 2.901 4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.361 5.938 3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.619 4.766 4.756 1.00 0.00 H new ATOM 147 N GLY A 10 5.265 8.006 0.676 1.00 0.00 N ATOM 148 CA GLY A 10 3.944 8.462 1.044 1.00 0.00 C ATOM 149 C GLY A 10 3.646 8.249 2.509 1.00 0.00 C ATOM 150 O GLY A 10 4.540 7.928 3.291 1.00 0.00 O ATOM 0 H GLY A 10 6.018 8.354 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.850 9.522 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.201 7.935 0.445 1.00 0.00 H new ATOM 154 N LYS A 11 2.385 8.417 2.866 1.00 0.00 N ATOM 155 CA LYS A 11 1.926 8.272 4.242 1.00 0.00 C ATOM 156 C LYS A 11 1.096 7.004 4.394 1.00 0.00 C ATOM 157 O LYS A 11 0.203 6.936 5.240 1.00 0.00 O ATOM 158 CB LYS A 11 1.113 9.500 4.664 1.00 0.00 C ATOM 159 CG LYS A 11 1.937 10.779 4.729 1.00 0.00 C ATOM 160 CD LYS A 11 1.119 11.967 5.217 1.00 0.00 C ATOM 161 CE LYS A 11 0.593 11.753 6.631 1.00 0.00 C ATOM 162 NZ LYS A 11 -0.055 12.976 7.182 1.00 0.00 N1+ ATOM 0 H LYS A 11 1.644 8.659 2.208 1.00 0.00 H new ATOM 0 HA LYS A 11 2.797 8.194 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.292 9.641 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.668 9.313 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.787 10.628 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.341 11.000 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.734 12.866 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.282 12.134 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.125 10.933 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.415 11.455 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.397 12.784 8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.636 13.753 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.857 13.247 6.577 1.00 0.00 H new ATOM 176 N MET A 12 1.365 6.030 3.521 1.00 0.00 N ATOM 177 CA MET A 12 0.629 4.760 3.486 1.00 0.00 C ATOM 178 C MET A 12 0.423 4.184 4.885 1.00 0.00 C ATOM 179 O MET A 12 1.310 4.251 5.736 1.00 0.00 O ATOM 180 CB MET A 12 1.372 3.725 2.639 1.00 0.00 C ATOM 181 CG MET A 12 1.770 4.208 1.253 1.00 0.00 C ATOM 182 SD MET A 12 2.447 2.885 0.228 1.00 0.00 S ATOM 183 CE MET A 12 3.557 2.079 1.384 1.00 0.00 C ATOM 0 H MET A 12 2.100 6.098 2.817 1.00 0.00 H new ATOM 0 HA MET A 12 -0.344 4.976 3.045 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.270 3.415 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.743 2.841 2.534 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.899 4.638 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.508 5.004 1.347 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.164 1.345 0.854 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.207 2.824 1.844 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.975 1.578 2.158 1.00 0.00 H new ATOM 193 N SER A 13 -0.747 3.605 5.105 1.00 0.00 N ATOM 194 CA SER A 13 -1.101 3.051 6.401 1.00 0.00 C ATOM 195 C SER A 13 -0.408 1.710 6.648 1.00 0.00 C ATOM 196 O SER A 13 0.335 1.208 5.797 1.00 0.00 O ATOM 197 CB SER A 13 -2.619 2.898 6.484 1.00 0.00 C ATOM 198 OG SER A 13 -3.145 2.430 5.251 1.00 0.00 O ATOM 0 H SER A 13 -1.473 3.507 4.395 1.00 0.00 H new ATOM 0 HA SER A 13 -0.760 3.735 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.876 2.202 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.073 3.856 6.738 1.00 0.00 H new ATOM 0 HG SER A 13 -4.118 2.337 5.325 1.00 0.00 H new ATOM 204 N SER A 14 -0.676 1.132 7.816 1.00 0.00 N ATOM 205 CA SER A 14 -0.035 -0.102 8.252 1.00 0.00 C ATOM 206 C SER A 14 -0.264 -1.251 7.266 1.00 0.00 C ATOM 207 O SER A 14 0.543 -2.177 7.190 1.00 0.00 O ATOM 208 CB SER A 14 -0.570 -0.482 9.633 1.00 0.00 C ATOM 209 OG SER A 14 -0.510 0.627 10.519 1.00 0.00 O ATOM 0 H SER A 14 -1.346 1.508 8.487 1.00 0.00 H new ATOM 0 HA SER A 14 1.040 0.072 8.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.600 -0.829 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.012 -1.309 10.039 1.00 0.00 H new ATOM 0 HG SER A 14 -1.000 0.416 11.341 1.00 0.00 H new ATOM 215 N TYR A 15 -1.358 -1.181 6.511 1.00 0.00 N ATOM 216 CA TYR A 15 -1.691 -2.216 5.540 1.00 0.00 C ATOM 217 C TYR A 15 -0.599 -2.315 4.474 1.00 0.00 C ATOM 218 O TYR A 15 -0.030 -3.385 4.241 1.00 0.00 O ATOM 219 CB TYR A 15 -3.046 -1.907 4.894 1.00 0.00 C ATOM 220 CG TYR A 15 -3.631 -3.048 4.083 1.00 0.00 C ATOM 221 CD1 TYR A 15 -3.015 -4.292 4.044 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.806 -2.876 3.362 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.550 -5.331 3.312 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.350 -3.913 2.630 1.00 0.00 C ATOM 225 CZ TYR A 15 -4.718 -5.137 2.608 1.00 0.00 C ATOM 226 OH TYR A 15 -5.259 -6.176 1.886 1.00 0.00 O ATOM 0 H TYR A 15 -2.030 -0.415 6.555 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.757 -3.176 6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.754 -1.634 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.936 -1.037 4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.101 -4.449 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.302 -1.917 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.056 -6.291 3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.266 -3.765 2.078 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.783 -6.265 1.034 1.00 0.00 H new ATOM 236 N ALA A 16 -0.297 -1.191 3.841 1.00 0.00 N ATOM 237 CA ALA A 16 0.733 -1.150 2.819 1.00 0.00 C ATOM 238 C ALA A 16 2.107 -1.392 3.426 1.00 0.00 C ATOM 239 O ALA A 16 2.982 -1.975 2.787 1.00 0.00 O ATOM 240 CB ALA A 16 0.703 0.177 2.086 1.00 0.00 C ATOM 0 H ALA A 16 -0.752 -0.296 4.019 1.00 0.00 H new ATOM 0 HA ALA A 16 0.532 -1.946 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.482 0.189 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.270 0.309 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.875 0.988 2.794 1.00 0.00 H new ATOM 246 N PHE A 17 2.286 -0.949 4.665 1.00 0.00 N ATOM 247 CA PHE A 17 3.548 -1.146 5.369 1.00 0.00 C ATOM 248 C PHE A 17 3.816 -2.626 5.613 1.00 0.00 C ATOM 249 O PHE A 17 4.958 -3.067 5.548 1.00 0.00 O ATOM 250 CB PHE A 17 3.557 -0.382 6.690 1.00 0.00 C ATOM 251 CG PHE A 17 4.388 0.865 6.640 1.00 0.00 C ATOM 252 CD1 PHE A 17 5.742 0.814 6.922 1.00 0.00 C ATOM 253 CD2 PHE A 17 3.820 2.083 6.311 1.00 0.00 C ATOM 254 CE1 PHE A 17 6.516 1.953 6.881 1.00 0.00 C ATOM 255 CE2 PHE A 17 4.590 3.229 6.267 1.00 0.00 C ATOM 256 CZ PHE A 17 5.941 3.162 6.554 1.00 0.00 C ATOM 0 H PHE A 17 1.575 -0.452 5.202 1.00 0.00 H new ATOM 0 HA PHE A 17 4.345 -0.755 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.534 -0.120 6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.936 -1.033 7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.198 -0.131 7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.765 2.138 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.571 1.899 7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.138 4.175 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.545 4.057 6.522 1.00 0.00 H new ATOM 266 N PHE A 18 2.759 -3.380 5.889 1.00 0.00 N ATOM 267 CA PHE A 18 2.855 -4.828 6.046 1.00 0.00 C ATOM 268 C PHE A 18 3.501 -5.460 4.817 1.00 0.00 C ATOM 269 O PHE A 18 4.501 -6.176 4.916 1.00 0.00 O ATOM 270 CB PHE A 18 1.456 -5.415 6.273 1.00 0.00 C ATOM 271 CG PHE A 18 1.380 -6.915 6.178 1.00 0.00 C ATOM 272 CD1 PHE A 18 1.758 -7.716 7.241 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.918 -7.523 5.022 1.00 0.00 C ATOM 274 CE1 PHE A 18 1.681 -9.091 7.155 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.838 -8.897 4.931 1.00 0.00 C ATOM 276 CZ PHE A 18 1.219 -9.683 5.997 1.00 0.00 C ATOM 0 H PHE A 18 1.817 -3.009 6.010 1.00 0.00 H new ATOM 0 HA PHE A 18 3.481 -5.048 6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.104 -5.109 7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.773 -4.983 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.118 -7.259 8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.617 -6.914 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.982 -9.703 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.476 -9.357 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.156 -10.759 5.926 1.00 0.00 H new ATOM 286 N VAL A 19 2.930 -5.173 3.659 1.00 0.00 N ATOM 287 CA VAL A 19 3.437 -5.710 2.406 1.00 0.00 C ATOM 288 C VAL A 19 4.824 -5.161 2.116 1.00 0.00 C ATOM 289 O VAL A 19 5.723 -5.892 1.717 1.00 0.00 O ATOM 290 CB VAL A 19 2.500 -5.365 1.237 1.00 0.00 C ATOM 291 CG1 VAL A 19 2.898 -6.105 -0.031 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.070 -5.676 1.609 1.00 0.00 C ATOM 0 H VAL A 19 2.113 -4.570 3.560 1.00 0.00 H new ATOM 0 HA VAL A 19 3.488 -6.794 2.508 1.00 0.00 H new ATOM 0 HB VAL A 19 2.588 -4.297 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.215 -5.838 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.915 -5.828 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.850 -7.180 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.415 -5.428 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.977 -6.737 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.785 -5.088 2.481 1.00 0.00 H new ATOM 302 N GLN A 20 4.997 -3.870 2.343 1.00 0.00 N ATOM 303 CA GLN A 20 6.261 -3.214 2.064 1.00 0.00 C ATOM 304 C GLN A 20 7.384 -3.750 2.945 1.00 0.00 C ATOM 305 O GLN A 20 8.450 -4.075 2.443 1.00 0.00 O ATOM 306 CB GLN A 20 6.136 -1.703 2.235 1.00 0.00 C ATOM 307 CG GLN A 20 7.474 -0.982 2.212 1.00 0.00 C ATOM 308 CD GLN A 20 7.327 0.511 2.047 1.00 0.00 C ATOM 309 OE1 GLN A 20 7.182 1.247 3.019 1.00 0.00 O ATOM 310 NE2 GLN A 20 7.381 0.967 0.809 1.00 0.00 N ATOM 0 H GLN A 20 4.276 -3.255 2.720 1.00 0.00 H new ATOM 0 HA GLN A 20 6.515 -3.433 1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.503 -1.306 1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.633 -1.492 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.011 -1.190 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.081 -1.376 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.503 0.318 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.301 1.968 0.630 1.00 0.00 H new ATOM 319 N THR A 21 7.142 -3.857 4.243 1.00 0.00 N ATOM 320 CA THR A 21 8.188 -4.249 5.177 1.00 0.00 C ATOM 321 C THR A 21 8.779 -5.617 4.817 1.00 0.00 C ATOM 322 O THR A 21 9.978 -5.830 4.960 1.00 0.00 O ATOM 323 CB THR A 21 7.682 -4.248 6.641 1.00 0.00 C ATOM 324 OG1 THR A 21 8.782 -4.383 7.550 1.00 0.00 O ATOM 325 CG2 THR A 21 6.687 -5.367 6.892 1.00 0.00 C ATOM 0 H THR A 21 6.234 -3.679 4.673 1.00 0.00 H new ATOM 0 HA THR A 21 8.978 -3.503 5.094 1.00 0.00 H new ATOM 0 HB THR A 21 7.179 -3.295 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.448 -4.379 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.355 -5.333 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.828 -5.245 6.232 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.162 -6.328 6.694 1.00 0.00 H new ATOM 333 N CYS A 22 7.950 -6.532 4.318 1.00 0.00 N ATOM 334 CA CYS A 22 8.441 -7.850 3.938 1.00 0.00 C ATOM 335 C CYS A 22 8.943 -7.864 2.490 1.00 0.00 C ATOM 336 O CYS A 22 9.940 -8.519 2.178 1.00 0.00 O ATOM 337 CB CYS A 22 7.352 -8.906 4.152 1.00 0.00 C ATOM 338 SG CYS A 22 5.741 -8.473 3.460 1.00 0.00 S ATOM 0 H CYS A 22 6.951 -6.387 4.170 1.00 0.00 H new ATOM 0 HA CYS A 22 9.289 -8.093 4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.683 -9.845 3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.238 -9.081 5.222 1.00 0.00 H new ATOM 0 HG CYS A 22 5.120 -7.672 4.274 1.00 0.00 H new ATOM 344 N ARG A 23 8.265 -7.124 1.618 1.00 0.00 N ATOM 345 CA ARG A 23 8.626 -7.065 0.201 1.00 0.00 C ATOM 346 C ARG A 23 9.941 -6.324 0.005 1.00 0.00 C ATOM 347 O ARG A 23 10.791 -6.733 -0.790 1.00 0.00 O ATOM 348 CB ARG A 23 7.519 -6.360 -0.586 1.00 0.00 C ATOM 349 CG ARG A 23 7.641 -6.479 -2.096 1.00 0.00 C ATOM 350 CD ARG A 23 7.926 -5.137 -2.753 1.00 0.00 C ATOM 351 NE ARG A 23 9.347 -4.796 -2.730 1.00 0.00 N ATOM 352 CZ ARG A 23 9.826 -3.584 -2.448 1.00 0.00 C ATOM 353 NH1 ARG A 23 9.016 -2.607 -2.070 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 11.120 -3.351 -2.529 1.00 0.00 N ATOM 0 H ARG A 23 7.458 -6.553 1.868 1.00 0.00 H new ATOM 0 HA ARG A 23 8.745 -8.085 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.556 -6.769 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.517 -5.304 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.440 -7.179 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.718 -6.893 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.577 -5.160 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.360 -4.358 -2.242 1.00 0.00 H new ATOM 0 HE ARG A 23 10.017 -5.535 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.013 -2.777 -1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.395 -1.684 -1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.756 -4.098 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.486 -2.424 -2.313 1.00 0.00 H new ATOM 368 N GLU A 24 10.095 -5.229 0.731 1.00 0.00 N ATOM 369 CA GLU A 24 11.264 -4.378 0.611 1.00 0.00 C ATOM 370 C GLU A 24 12.465 -5.035 1.284 1.00 0.00 C ATOM 371 O GLU A 24 13.550 -5.095 0.707 1.00 0.00 O ATOM 372 CB GLU A 24 10.964 -3.003 1.216 1.00 0.00 C ATOM 373 CG GLU A 24 12.074 -1.983 1.025 1.00 0.00 C ATOM 374 CD GLU A 24 12.249 -1.604 -0.430 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.287 -1.080 -1.034 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.330 -1.872 -0.992 1.00 0.00 O ATOM 0 H GLU A 24 9.414 -4.907 1.418 1.00 0.00 H new ATOM 0 HA GLU A 24 11.510 -4.241 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.048 -2.614 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.774 -3.121 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.850 -1.090 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.010 -2.389 1.409 1.00 0.00 H new ATOM 383 N GLU A 25 12.254 -5.564 2.488 1.00 0.00 N ATOM 384 CA GLU A 25 13.298 -6.295 3.210 1.00 0.00 C ATOM 385 C GLU A 25 13.756 -7.507 2.395 1.00 0.00 C ATOM 386 O GLU A 25 14.905 -7.952 2.491 1.00 0.00 O ATOM 387 CB GLU A 25 12.769 -6.754 4.573 1.00 0.00 C ATOM 388 CG GLU A 25 13.802 -7.428 5.452 1.00 0.00 C ATOM 389 CD GLU A 25 14.929 -6.504 5.863 1.00 0.00 C ATOM 390 OE1 GLU A 25 14.797 -5.834 6.910 1.00 0.00 O ATOM 391 OE2 GLU A 25 15.957 -6.459 5.157 1.00 0.00 O1- ATOM 0 H GLU A 25 11.367 -5.500 2.987 1.00 0.00 H new ATOM 0 HA GLU A 25 14.149 -5.631 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.368 -5.890 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.940 -7.444 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.313 -7.814 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.218 -8.284 4.921 1.00 0.00 H new ATOM 398 N HIS A 26 12.846 -8.040 1.588 1.00 0.00 N ATOM 399 CA HIS A 26 13.159 -9.170 0.730 1.00 0.00 C ATOM 400 C HIS A 26 14.176 -8.765 -0.325 1.00 0.00 C ATOM 401 O HIS A 26 15.102 -9.514 -0.618 1.00 0.00 O ATOM 402 CB HIS A 26 11.897 -9.713 0.059 1.00 0.00 C ATOM 403 CG HIS A 26 12.115 -11.008 -0.657 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.885 -11.179 -2.004 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.531 -12.208 -0.194 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.144 -12.431 -2.333 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.540 -13.078 -1.253 1.00 0.00 N ATOM 0 H HIS A 26 11.885 -7.705 1.512 1.00 0.00 H new ATOM 0 HA HIS A 26 13.585 -9.959 1.351 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.123 -9.850 0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.524 -8.973 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.806 -12.439 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.048 -12.855 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.808 -14.061 -1.213 1.00 0.00 H new ATOM 416 N LYS A 27 14.010 -7.569 -0.877 1.00 0.00 N ATOM 417 CA LYS A 27 14.910 -7.083 -1.914 1.00 0.00 C ATOM 418 C LYS A 27 16.172 -6.483 -1.305 1.00 0.00 C ATOM 419 O LYS A 27 17.188 -6.337 -1.981 1.00 0.00 O ATOM 420 CB LYS A 27 14.213 -6.058 -2.811 1.00 0.00 C ATOM 421 CG LYS A 27 13.112 -6.655 -3.671 1.00 0.00 C ATOM 422 CD LYS A 27 12.494 -5.633 -4.621 1.00 0.00 C ATOM 423 CE LYS A 27 13.416 -5.278 -5.789 1.00 0.00 C ATOM 424 NZ LYS A 27 14.550 -4.399 -5.388 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.264 -6.921 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 27 15.197 -7.936 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.790 -5.270 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.955 -5.589 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.517 -7.485 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.334 -7.065 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.556 -6.027 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.253 -4.727 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.811 -6.196 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.835 -4.781 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.680 -3.653 -6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.343 -3.965 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.420 -4.965 -5.317 1.00 0.00 H new ATOM 438 N LYS A 28 16.100 -6.116 -0.031 1.00 0.00 N ATOM 439 CA LYS A 28 17.280 -5.668 0.695 1.00 0.00 C ATOM 440 C LYS A 28 18.281 -6.810 0.818 1.00 0.00 C ATOM 441 O LYS A 28 19.444 -6.680 0.429 1.00 0.00 O ATOM 442 CB LYS A 28 16.899 -5.163 2.089 1.00 0.00 C ATOM 443 CG LYS A 28 16.090 -3.875 2.081 1.00 0.00 C ATOM 444 CD LYS A 28 15.689 -3.457 3.489 1.00 0.00 C ATOM 445 CE LYS A 28 16.903 -3.188 4.370 1.00 0.00 C ATOM 446 NZ LYS A 28 17.727 -2.057 3.863 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.240 -6.120 0.518 1.00 0.00 H new ATOM 0 HA LYS A 28 17.734 -4.848 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.326 -5.937 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.809 -5.005 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.674 -3.080 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.196 -4.010 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.071 -2.561 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.079 -4.240 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.572 -2.967 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.517 -4.087 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.461 -1.822 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.177 -2.330 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.120 -1.227 3.707 1.00 0.00 H new ATOM 460 N LYS A 29 17.819 -7.936 1.351 1.00 0.00 N ATOM 461 CA LYS A 29 18.669 -9.107 1.512 1.00 0.00 C ATOM 462 C LYS A 29 18.854 -9.858 0.193 1.00 0.00 C ATOM 463 O LYS A 29 19.911 -10.436 -0.054 1.00 0.00 O ATOM 464 CB LYS A 29 18.094 -10.032 2.586 1.00 0.00 C ATOM 465 CG LYS A 29 18.233 -9.470 3.994 1.00 0.00 C ATOM 466 CD LYS A 29 17.576 -10.356 5.041 1.00 0.00 C ATOM 467 CE LYS A 29 16.090 -10.060 5.192 1.00 0.00 C ATOM 468 NZ LYS A 29 15.296 -10.456 3.998 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.861 -8.061 1.678 1.00 0.00 H new ATOM 0 HA LYS A 29 19.654 -8.765 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.040 -10.212 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.599 -10.997 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.290 -9.353 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.786 -8.476 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.711 -11.402 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.073 -10.212 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.707 -10.585 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.954 -8.994 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.334 -10.719 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.249 -9.658 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.750 -11.268 3.533 1.00 0.00 H new ATOM 482 N HIS A 30 17.833 -9.846 -0.654 1.00 0.00 N ATOM 483 CA HIS A 30 17.916 -10.494 -1.963 1.00 0.00 C ATOM 484 C HIS A 30 17.555 -9.514 -3.065 1.00 0.00 C ATOM 485 O HIS A 30 16.384 -9.374 -3.423 1.00 0.00 O ATOM 486 CB HIS A 30 16.995 -11.717 -2.049 1.00 0.00 C ATOM 487 CG HIS A 30 17.414 -12.861 -1.181 1.00 0.00 C ATOM 488 ND1 HIS A 30 18.238 -13.873 -1.615 1.00 0.00 N ATOM 489 CD2 HIS A 30 17.119 -13.146 0.107 1.00 0.00 C ATOM 490 CE1 HIS A 30 18.431 -14.733 -0.633 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.765 -14.313 0.426 1.00 0.00 N ATOM 0 H HIS A 30 16.938 -9.396 -0.462 1.00 0.00 H new ATOM 0 HA HIS A 30 18.945 -10.828 -2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.984 -11.417 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.955 -12.056 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.491 -12.563 0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.032 -15.629 -0.687 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.736 -14.780 1.333 1.00 0.00 H new ATOM 500 N PRO A 31 18.555 -8.807 -3.610 1.00 0.00 N ATOM 501 CA PRO A 31 18.349 -7.823 -4.678 1.00 0.00 C ATOM 502 C PRO A 31 17.980 -8.488 -5.999 1.00 0.00 C ATOM 503 O PRO A 31 17.528 -7.837 -6.940 1.00 0.00 O ATOM 504 CB PRO A 31 19.710 -7.116 -4.793 1.00 0.00 C ATOM 505 CG PRO A 31 20.485 -7.536 -3.585 1.00 0.00 C ATOM 506 CD PRO A 31 19.970 -8.894 -3.226 1.00 0.00 C ATOM 0 HA PRO A 31 17.527 -7.143 -4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.225 -7.405 -5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.588 -6.033 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.554 -7.566 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.342 -6.833 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.491 -9.683 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.090 -9.106 -2.164 1.00 0.00 H new ATOM 514 N ASP A 32 18.162 -9.797 -6.043 1.00 0.00 N ATOM 515 CA ASP A 32 17.904 -10.578 -7.240 1.00 0.00 C ATOM 516 C ASP A 32 16.523 -11.211 -7.195 1.00 0.00 C ATOM 517 O ASP A 32 16.182 -12.023 -8.052 1.00 0.00 O ATOM 518 CB ASP A 32 18.945 -11.689 -7.378 1.00 0.00 C ATOM 519 CG ASP A 32 20.346 -11.166 -7.587 1.00 0.00 C ATOM 520 OD1 ASP A 32 20.986 -10.753 -6.599 1.00 0.00 O ATOM 521 OD2 ASP A 32 20.825 -11.194 -8.738 1.00 0.00 O1- ATOM 0 H ASP A 32 18.492 -10.347 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 32 17.960 -9.902 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.925 -12.310 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.674 -12.330 -8.217 1.00 0.00 H new ATOM 526 N ALA A 33 15.733 -10.855 -6.192 1.00 0.00 N ATOM 527 CA ALA A 33 14.434 -11.482 -6.014 1.00 0.00 C ATOM 528 C ALA A 33 13.307 -10.461 -5.944 1.00 0.00 C ATOM 529 O ALA A 33 12.955 -9.970 -4.866 1.00 0.00 O ATOM 530 CB ALA A 33 14.431 -12.357 -4.772 1.00 0.00 C ATOM 0 H ALA A 33 15.966 -10.145 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 33 14.255 -12.104 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.451 -12.818 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.188 -13.135 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.652 -11.747 -3.896 1.00 0.00 H new ATOM 536 N SER A 34 12.755 -10.133 -7.097 1.00 0.00 N ATOM 537 CA SER A 34 11.563 -9.309 -7.157 1.00 0.00 C ATOM 538 C SER A 34 10.336 -10.200 -6.990 1.00 0.00 C ATOM 539 O SER A 34 10.259 -11.281 -7.581 1.00 0.00 O ATOM 540 CB SER A 34 11.507 -8.548 -8.484 1.00 0.00 C ATOM 541 OG SER A 34 12.733 -7.879 -8.734 1.00 0.00 O ATOM 0 H SER A 34 13.114 -10.425 -8.006 1.00 0.00 H new ATOM 0 HA SER A 34 11.584 -8.573 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.294 -9.242 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.692 -7.825 -8.460 1.00 0.00 H new ATOM 0 HG SER A 34 12.676 -7.401 -9.587 1.00 0.00 H new ATOM 547 N VAL A 35 9.396 -9.768 -6.166 1.00 0.00 N ATOM 548 CA VAL A 35 8.219 -10.572 -5.880 1.00 0.00 C ATOM 549 C VAL A 35 7.169 -10.389 -6.969 1.00 0.00 C ATOM 550 O VAL A 35 7.110 -9.342 -7.614 1.00 0.00 O ATOM 551 CB VAL A 35 7.596 -10.215 -4.513 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.638 -10.258 -3.410 1.00 0.00 C ATOM 553 CG2 VAL A 35 6.925 -8.855 -4.562 1.00 0.00 C ATOM 0 H VAL A 35 9.424 -8.869 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 35 8.544 -11.612 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 35 6.835 -10.963 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.171 -10.002 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.062 -11.260 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.430 -9.542 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.494 -8.627 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.662 -8.095 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.136 -8.865 -5.314 1.00 0.00 H new ATOM 563 N ASN A 36 6.351 -11.410 -7.168 1.00 0.00 N ATOM 564 CA ASN A 36 5.284 -11.351 -8.157 1.00 0.00 C ATOM 565 C ASN A 36 4.072 -10.663 -7.550 1.00 0.00 C ATOM 566 O ASN A 36 3.661 -11.002 -6.439 1.00 0.00 O ATOM 567 CB ASN A 36 4.902 -12.760 -8.617 1.00 0.00 C ATOM 568 CG ASN A 36 6.102 -13.611 -8.990 1.00 0.00 C ATOM 569 OD1 ASN A 36 6.653 -14.331 -8.155 1.00 0.00 O ATOM 570 ND2 ASN A 36 6.522 -13.528 -10.238 1.00 0.00 N ATOM 0 H ASN A 36 6.405 -12.291 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 36 5.633 -10.786 -9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.345 -13.257 -7.822 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.235 -12.687 -9.476 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.330 -14.072 -10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.039 -12.920 -10.899 1.00 0.00 H new ATOM 577 N PHE A 37 3.503 -9.706 -8.279 1.00 0.00 N ATOM 578 CA PHE A 37 2.377 -8.919 -7.780 1.00 0.00 C ATOM 579 C PHE A 37 1.188 -9.804 -7.429 1.00 0.00 C ATOM 580 O PHE A 37 0.555 -9.625 -6.391 1.00 0.00 O ATOM 581 CB PHE A 37 1.949 -7.870 -8.809 1.00 0.00 C ATOM 582 CG PHE A 37 2.883 -6.695 -8.906 1.00 0.00 C ATOM 583 CD1 PHE A 37 2.766 -5.633 -8.027 1.00 0.00 C ATOM 584 CD2 PHE A 37 3.872 -6.647 -9.876 1.00 0.00 C ATOM 585 CE1 PHE A 37 3.617 -4.547 -8.108 1.00 0.00 C ATOM 586 CE2 PHE A 37 4.725 -5.563 -9.962 1.00 0.00 C ATOM 587 CZ PHE A 37 4.598 -4.511 -9.076 1.00 0.00 C ATOM 0 H PHE A 37 3.804 -9.456 -9.221 1.00 0.00 H new ATOM 0 HA PHE A 37 2.713 -8.416 -6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.875 -8.344 -9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.953 -7.510 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.999 -5.653 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.977 -7.466 -10.572 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.514 -3.727 -7.413 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.491 -5.538 -10.723 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.264 -3.664 -9.141 1.00 0.00 H new ATOM 597 N SER A 38 0.892 -10.765 -8.290 1.00 0.00 N ATOM 598 CA SER A 38 -0.232 -11.659 -8.065 1.00 0.00 C ATOM 599 C SER A 38 0.018 -12.545 -6.848 1.00 0.00 C ATOM 600 O SER A 38 -0.787 -12.594 -5.922 1.00 0.00 O ATOM 601 CB SER A 38 -0.472 -12.517 -9.310 1.00 0.00 C ATOM 602 OG SER A 38 0.715 -13.183 -9.711 1.00 0.00 O ATOM 0 H SER A 38 1.413 -10.945 -9.148 1.00 0.00 H new ATOM 0 HA SER A 38 -1.121 -11.059 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.252 -13.250 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.832 -11.888 -10.124 1.00 0.00 H new ATOM 0 HG SER A 38 0.753 -14.066 -9.288 1.00 0.00 H new ATOM 608 N GLU A 39 1.163 -13.210 -6.847 1.00 0.00 N ATOM 609 CA GLU A 39 1.477 -14.207 -5.833 1.00 0.00 C ATOM 610 C GLU A 39 1.655 -13.575 -4.460 1.00 0.00 C ATOM 611 O GLU A 39 0.919 -13.881 -3.519 1.00 0.00 O ATOM 612 CB GLU A 39 2.759 -14.950 -6.210 1.00 0.00 C ATOM 613 CG GLU A 39 2.792 -15.417 -7.654 1.00 0.00 C ATOM 614 CD GLU A 39 1.569 -16.224 -8.032 1.00 0.00 C ATOM 615 OE1 GLU A 39 1.364 -17.306 -7.443 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 0.798 -15.768 -8.907 1.00 0.00 O ATOM 0 H GLU A 39 1.896 -13.076 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 39 0.639 -14.902 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.613 -14.297 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.873 -15.814 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.868 -14.550 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.685 -16.020 -7.817 1.00 0.00 H new ATOM 623 N PHE A 40 2.622 -12.676 -4.368 1.00 0.00 N ATOM 624 CA PHE A 40 3.072 -12.149 -3.091 1.00 0.00 C ATOM 625 C PHE A 40 2.015 -11.274 -2.429 1.00 0.00 C ATOM 626 O PHE A 40 1.664 -11.487 -1.272 1.00 0.00 O ATOM 627 CB PHE A 40 4.365 -11.356 -3.291 1.00 0.00 C ATOM 628 CG PHE A 40 4.935 -10.779 -2.026 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.749 -11.540 -1.205 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.654 -9.472 -1.662 1.00 0.00 C ATOM 631 CE1 PHE A 40 6.274 -11.006 -0.043 1.00 0.00 C ATOM 632 CE2 PHE A 40 5.174 -8.936 -0.504 1.00 0.00 C ATOM 633 CZ PHE A 40 5.986 -9.703 0.308 1.00 0.00 C ATOM 0 H PHE A 40 3.115 -12.292 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 40 3.255 -12.993 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.110 -12.007 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.176 -10.545 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.976 -12.561 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.020 -8.867 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.909 -11.608 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.947 -7.916 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.395 -9.284 1.216 1.00 0.00 H new ATOM 643 N SER A 41 1.510 -10.296 -3.158 1.00 0.00 N ATOM 644 CA SER A 41 0.593 -9.328 -2.582 1.00 0.00 C ATOM 645 C SER A 41 -0.739 -9.973 -2.202 1.00 0.00 C ATOM 646 O SER A 41 -1.321 -9.629 -1.174 1.00 0.00 O ATOM 647 CB SER A 41 0.385 -8.176 -3.553 1.00 0.00 C ATOM 648 OG SER A 41 1.630 -7.740 -4.077 1.00 0.00 O ATOM 0 H SER A 41 1.718 -10.150 -4.146 1.00 0.00 H new ATOM 0 HA SER A 41 1.034 -8.941 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.269 -8.491 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.113 -7.350 -3.046 1.00 0.00 H new ATOM 0 HG SER A 41 1.481 -7.000 -4.702 1.00 0.00 H new ATOM 654 N LYS A 42 -1.209 -10.929 -3.007 1.00 0.00 N ATOM 655 CA LYS A 42 -2.456 -11.621 -2.698 1.00 0.00 C ATOM 656 C LYS A 42 -2.351 -12.378 -1.376 1.00 0.00 C ATOM 657 O LYS A 42 -3.222 -12.258 -0.515 1.00 0.00 O ATOM 658 CB LYS A 42 -2.850 -12.574 -3.828 1.00 0.00 C ATOM 659 CG LYS A 42 -3.926 -13.576 -3.441 1.00 0.00 C ATOM 660 CD LYS A 42 -4.451 -14.332 -4.648 1.00 0.00 C ATOM 661 CE LYS A 42 -5.239 -15.567 -4.234 1.00 0.00 C ATOM 662 NZ LYS A 42 -6.178 -15.288 -3.113 1.00 0.00 N1+ ATOM 0 H LYS A 42 -0.751 -11.236 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.236 -10.866 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.201 -11.989 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.964 -13.116 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.521 -14.283 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.749 -13.055 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.087 -13.675 -5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.617 -14.628 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.800 -15.941 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.546 -16.355 -3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.809 -16.103 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.637 -15.120 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.745 -14.445 -3.336 1.00 0.00 H new ATOM 676 N LYS A 43 -1.276 -13.142 -1.207 1.00 0.00 N ATOM 677 CA LYS A 43 -1.100 -13.922 0.011 1.00 0.00 C ATOM 678 C LYS A 43 -0.874 -13.003 1.205 1.00 0.00 C ATOM 679 O LYS A 43 -1.298 -13.310 2.317 1.00 0.00 O ATOM 680 CB LYS A 43 0.050 -14.927 -0.129 1.00 0.00 C ATOM 681 CG LYS A 43 1.417 -14.299 -0.358 1.00 0.00 C ATOM 682 CD LYS A 43 2.510 -15.352 -0.441 1.00 0.00 C ATOM 683 CE LYS A 43 2.282 -16.306 -1.603 1.00 0.00 C ATOM 684 NZ LYS A 43 3.265 -17.420 -1.602 1.00 0.00 N1+ ATOM 0 H LYS A 43 -0.523 -13.237 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.015 -14.490 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.092 -15.538 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.171 -15.598 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.401 -13.717 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.640 -13.606 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.478 -14.864 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.545 -15.915 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.272 -16.712 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.354 -15.758 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.078 -18.049 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.227 -17.034 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.179 -17.958 -0.716 1.00 0.00 H new ATOM 698 N CYS A 44 -0.223 -11.868 0.971 1.00 0.00 N ATOM 699 CA CYS A 44 -0.033 -10.872 2.017 1.00 0.00 C ATOM 700 C CYS A 44 -1.367 -10.244 2.401 1.00 0.00 C ATOM 701 O CYS A 44 -1.637 -10.018 3.578 1.00 0.00 O ATOM 702 CB CYS A 44 0.948 -9.793 1.565 1.00 0.00 C ATOM 703 SG CYS A 44 2.618 -10.403 1.274 1.00 0.00 S ATOM 0 H CYS A 44 0.180 -11.616 0.069 1.00 0.00 H new ATOM 0 HA CYS A 44 0.384 -11.371 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.574 -9.336 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.984 -9.009 2.321 1.00 0.00 H new ATOM 0 HG CYS A 44 2.656 -11.039 0.141 1.00 0.00 H new ATOM 709 N SER A 45 -2.199 -9.978 1.400 1.00 0.00 N ATOM 710 CA SER A 45 -3.546 -9.483 1.631 1.00 0.00 C ATOM 711 C SER A 45 -4.295 -10.433 2.558 1.00 0.00 C ATOM 712 O SER A 45 -4.814 -10.023 3.597 1.00 0.00 O ATOM 713 CB SER A 45 -4.287 -9.342 0.292 1.00 0.00 C ATOM 714 OG SER A 45 -5.645 -8.986 0.478 1.00 0.00 O ATOM 0 H SER A 45 -1.960 -10.099 0.416 1.00 0.00 H new ATOM 0 HA SER A 45 -3.493 -8.503 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.793 -8.586 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.229 -10.282 -0.256 1.00 0.00 H new ATOM 0 HG SER A 45 -5.697 -8.143 0.975 1.00 0.00 H new ATOM 720 N GLU A 46 -4.296 -11.711 2.197 1.00 0.00 N ATOM 721 CA GLU A 46 -4.987 -12.730 2.974 1.00 0.00 C ATOM 722 C GLU A 46 -4.406 -12.836 4.383 1.00 0.00 C ATOM 723 O GLU A 46 -5.149 -12.958 5.359 1.00 0.00 O ATOM 724 CB GLU A 46 -4.915 -14.075 2.247 1.00 0.00 C ATOM 725 CG GLU A 46 -5.533 -14.024 0.857 1.00 0.00 C ATOM 726 CD GLU A 46 -5.527 -15.360 0.146 1.00 0.00 C ATOM 727 OE1 GLU A 46 -6.305 -16.252 0.544 1.00 0.00 O ATOM 728 OE2 GLU A 46 -4.770 -15.514 -0.836 1.00 0.00 O1- ATOM 0 H GLU A 46 -3.823 -12.066 1.366 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.033 -12.442 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.873 -14.384 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.427 -14.832 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.560 -13.668 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.990 -13.297 0.253 1.00 0.00 H new ATOM 735 N ARG A 47 -3.081 -12.764 4.490 1.00 0.00 N ATOM 736 CA ARG A 47 -2.416 -12.797 5.790 1.00 0.00 C ATOM 737 C ARG A 47 -2.805 -11.594 6.641 1.00 0.00 C ATOM 738 O ARG A 47 -3.124 -11.742 7.817 1.00 0.00 O ATOM 739 CB ARG A 47 -0.894 -12.835 5.638 1.00 0.00 C ATOM 740 CG ARG A 47 -0.358 -14.156 5.118 1.00 0.00 C ATOM 741 CD ARG A 47 1.160 -14.138 5.039 1.00 0.00 C ATOM 742 NE ARG A 47 1.701 -15.397 4.533 1.00 0.00 N ATOM 743 CZ ARG A 47 2.979 -15.753 4.646 1.00 0.00 C ATOM 744 NH1 ARG A 47 3.846 -14.955 5.258 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 3.385 -16.920 4.167 1.00 0.00 N ATOM 0 H ARG A 47 -2.448 -12.683 3.694 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.745 -13.708 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.587 -12.038 4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.437 -12.625 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.682 -14.966 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.774 -14.358 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.479 -13.321 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.571 -13.939 6.029 1.00 0.00 H new ATOM 0 HE ARG A 47 1.063 -16.041 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.534 -14.064 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.824 -15.233 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.719 -17.544 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.364 -17.194 4.253 1.00 0.00 H new ATOM 759 N TRP A 48 -2.781 -10.409 6.041 1.00 0.00 N ATOM 760 CA TRP A 48 -3.112 -9.182 6.756 1.00 0.00 C ATOM 761 C TRP A 48 -4.525 -9.235 7.322 1.00 0.00 C ATOM 762 O TRP A 48 -4.752 -8.887 8.485 1.00 0.00 O ATOM 763 CB TRP A 48 -2.981 -7.966 5.835 1.00 0.00 C ATOM 764 CG TRP A 48 -3.503 -6.703 6.453 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.754 -6.172 6.302 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.795 -5.818 7.325 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.867 -5.021 7.045 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.676 -4.782 7.679 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.503 -5.806 7.842 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -3.301 -3.746 8.532 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -1.130 -4.778 8.683 1.00 0.00 C ATOM 772 CH2 TRP A 48 -2.025 -3.762 9.024 1.00 0.00 C ATOM 0 H TRP A 48 -2.536 -10.272 5.060 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.407 -9.088 7.582 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.932 -7.828 5.571 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.520 -8.160 4.908 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.537 -6.594 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.702 -4.439 7.113 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.804 -6.589 7.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.993 -2.959 8.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.128 -4.759 9.085 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.704 -2.974 9.689 1.00 0.00 H new ATOM 783 N LYS A 49 -5.470 -9.664 6.497 1.00 0.00 N ATOM 784 CA LYS A 49 -6.870 -9.661 6.886 1.00 0.00 C ATOM 785 C LYS A 49 -7.141 -10.704 7.966 1.00 0.00 C ATOM 786 O LYS A 49 -8.140 -10.627 8.677 1.00 0.00 O ATOM 787 CB LYS A 49 -7.773 -9.909 5.673 1.00 0.00 C ATOM 788 CG LYS A 49 -7.444 -9.037 4.467 1.00 0.00 C ATOM 789 CD LYS A 49 -8.600 -9.000 3.481 1.00 0.00 C ATOM 790 CE LYS A 49 -8.273 -8.155 2.259 1.00 0.00 C ATOM 791 NZ LYS A 49 -7.803 -6.793 2.624 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.292 -10.017 5.557 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.098 -8.676 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.695 -10.957 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.809 -9.735 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.214 -8.025 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.552 -9.420 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.842 -10.015 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.486 -8.599 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.506 -8.656 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.158 -8.074 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.183 -6.101 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.133 -6.557 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.764 -6.766 2.599 1.00 0.00 H new ATOM 805 N THR A 50 -6.239 -11.668 8.098 1.00 0.00 N ATOM 806 CA THR A 50 -6.386 -12.722 9.089 1.00 0.00 C ATOM 807 C THR A 50 -5.356 -12.578 10.212 1.00 0.00 C ATOM 808 O THR A 50 -5.061 -13.536 10.929 1.00 0.00 O ATOM 809 CB THR A 50 -6.243 -14.108 8.433 1.00 0.00 C ATOM 810 OG1 THR A 50 -5.001 -14.195 7.718 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.401 -14.382 7.482 1.00 0.00 C ATOM 0 H THR A 50 -5.396 -11.740 7.528 1.00 0.00 H new ATOM 0 HA THR A 50 -7.383 -12.629 9.519 1.00 0.00 H new ATOM 0 HB THR A 50 -6.257 -14.857 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.140 -13.923 6.787 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.277 -15.367 7.032 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.340 -14.351 8.034 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.416 -13.624 6.699 1.00 0.00 H new ATOM 819 N MET A 51 -4.839 -11.366 10.390 1.00 0.00 N ATOM 820 CA MET A 51 -3.769 -11.133 11.351 1.00 0.00 C ATOM 821 C MET A 51 -4.280 -10.364 12.568 1.00 0.00 C ATOM 822 O MET A 51 -5.241 -9.600 12.470 1.00 0.00 O ATOM 823 CB MET A 51 -2.625 -10.371 10.679 1.00 0.00 C ATOM 824 CG MET A 51 -1.358 -10.302 11.511 1.00 0.00 C ATOM 825 SD MET A 51 -0.006 -9.488 10.645 1.00 0.00 S ATOM 826 CE MET A 51 -0.732 -7.874 10.375 1.00 0.00 C ATOM 0 H MET A 51 -5.143 -10.534 9.883 1.00 0.00 H new ATOM 0 HA MET A 51 -3.400 -12.098 11.698 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.396 -10.847 9.725 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.958 -9.357 10.458 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.565 -9.768 12.438 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.053 -11.312 11.786 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.058 -7.269 9.769 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.684 -7.986 9.857 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.896 -7.384 11.335 1.00 0.00 H new ATOM 836 N SER A 52 -3.634 -10.583 13.711 1.00 0.00 N ATOM 837 CA SER A 52 -4.008 -9.929 14.962 1.00 0.00 C ATOM 838 C SER A 52 -3.707 -8.430 14.910 1.00 0.00 C ATOM 839 O SER A 52 -2.884 -7.971 14.111 1.00 0.00 O ATOM 840 CB SER A 52 -3.264 -10.578 16.139 1.00 0.00 C ATOM 841 OG SER A 52 -3.617 -9.971 17.373 1.00 0.00 O ATOM 0 H SER A 52 -2.839 -11.217 13.796 1.00 0.00 H new ATOM 0 HA SER A 52 -5.081 -10.054 15.105 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.496 -11.642 16.176 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.189 -10.492 15.984 1.00 0.00 H new ATOM 0 HG SER A 52 -3.129 -10.406 18.103 1.00 0.00 H new ATOM 847 N ALA A 53 -4.370 -7.678 15.782 1.00 0.00 N ATOM 848 CA ALA A 53 -4.222 -6.230 15.829 1.00 0.00 C ATOM 849 C ALA A 53 -2.869 -5.824 16.402 1.00 0.00 C ATOM 850 O ALA A 53 -2.373 -4.735 16.122 1.00 0.00 O ATOM 851 CB ALA A 53 -5.344 -5.608 16.643 1.00 0.00 C ATOM 0 H ALA A 53 -5.021 -8.053 16.472 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.277 -5.859 14.805 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.218 -4.526 16.668 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.303 -5.851 16.186 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.317 -6.000 17.660 1.00 0.00 H new ATOM 857 N LYS A 54 -2.273 -6.707 17.197 1.00 0.00 N ATOM 858 CA LYS A 54 -0.959 -6.449 17.778 1.00 0.00 C ATOM 859 C LYS A 54 0.083 -6.221 16.695 1.00 0.00 C ATOM 860 O LYS A 54 0.864 -5.271 16.763 1.00 0.00 O ATOM 861 CB LYS A 54 -0.520 -7.606 18.675 1.00 0.00 C ATOM 862 CG LYS A 54 -1.213 -7.628 20.025 1.00 0.00 C ATOM 863 CD LYS A 54 -0.677 -8.744 20.906 1.00 0.00 C ATOM 864 CE LYS A 54 -1.201 -8.627 22.326 1.00 0.00 C ATOM 865 NZ LYS A 54 -0.748 -7.373 22.988 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.678 -7.607 17.454 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.043 -5.545 18.382 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.715 -8.547 18.161 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.557 -7.545 18.830 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.072 -6.669 20.524 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.286 -7.758 19.883 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.964 -9.709 20.489 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.412 -8.712 20.915 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.291 -8.657 22.314 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.865 -9.485 22.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.842 -7.471 24.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.248 -7.193 22.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.332 -6.577 22.661 1.00 0.00 H new ATOM 879 N GLU A 55 0.084 -7.091 15.693 1.00 0.00 N ATOM 880 CA GLU A 55 1.015 -6.968 14.585 1.00 0.00 C ATOM 881 C GLU A 55 0.688 -5.728 13.762 1.00 0.00 C ATOM 882 O GLU A 55 1.579 -5.025 13.303 1.00 0.00 O ATOM 883 CB GLU A 55 0.966 -8.213 13.704 1.00 0.00 C ATOM 884 CG GLU A 55 1.230 -9.505 14.460 1.00 0.00 C ATOM 885 CD GLU A 55 2.547 -9.489 15.209 1.00 0.00 C ATOM 886 OE1 GLU A 55 3.611 -9.507 14.556 1.00 0.00 O ATOM 887 OE2 GLU A 55 2.526 -9.481 16.453 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.550 -7.888 15.627 1.00 0.00 H new ATOM 0 HA GLU A 55 2.023 -6.869 14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.013 -8.273 13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.702 -8.112 12.906 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.418 -9.680 15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.227 -10.339 13.758 1.00 0.00 H new ATOM 894 N LYS A 56 -0.600 -5.463 13.598 1.00 0.00 N ATOM 895 CA LYS A 56 -1.063 -4.276 12.883 1.00 0.00 C ATOM 896 C LYS A 56 -0.546 -3.007 13.562 1.00 0.00 C ATOM 897 O LYS A 56 -0.074 -2.084 12.897 1.00 0.00 O ATOM 898 CB LYS A 56 -2.594 -4.262 12.815 1.00 0.00 C ATOM 899 CG LYS A 56 -3.179 -5.416 12.008 1.00 0.00 C ATOM 900 CD LYS A 56 -4.695 -5.462 12.113 1.00 0.00 C ATOM 901 CE LYS A 56 -5.281 -6.632 11.335 1.00 0.00 C ATOM 902 NZ LYS A 56 -5.275 -6.404 9.867 1.00 0.00 N1+ ATOM 0 H LYS A 56 -1.350 -6.057 13.952 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.670 -4.306 11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.995 -4.298 13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.921 -3.320 12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.889 -5.313 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.761 -6.358 12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.984 -5.541 13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.114 -4.529 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.713 -7.534 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.304 -6.808 11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.083 -7.301 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.202 -6.038 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.536 -5.713 9.626 1.00 0.00 H new ATOM 916 N GLY A 57 -0.616 -2.984 14.890 1.00 0.00 N ATOM 917 CA GLY A 57 -0.082 -1.868 15.653 1.00 0.00 C ATOM 918 C GLY A 57 1.425 -1.756 15.516 1.00 0.00 C ATOM 919 O GLY A 57 1.985 -0.661 15.573 1.00 0.00 O ATOM 0 H GLY A 57 -1.035 -3.723 15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.547 -0.942 15.315 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.343 -1.990 16.704 1.00 0.00 H new ATOM 923 N LYS A 58 2.078 -2.894 15.334 1.00 0.00 N ATOM 924 CA LYS A 58 3.514 -2.933 15.081 1.00 0.00 C ATOM 925 C LYS A 58 3.845 -2.208 13.775 1.00 0.00 C ATOM 926 O LYS A 58 4.784 -1.412 13.711 1.00 0.00 O ATOM 927 CB LYS A 58 3.983 -4.388 15.013 1.00 0.00 C ATOM 928 CG LYS A 58 5.391 -4.570 14.469 1.00 0.00 C ATOM 929 CD LYS A 58 5.683 -6.034 14.181 1.00 0.00 C ATOM 930 CE LYS A 58 4.637 -6.636 13.252 1.00 0.00 C ATOM 931 NZ LYS A 58 4.977 -8.025 12.854 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.633 -3.812 15.357 1.00 0.00 H new ATOM 0 HA LYS A 58 4.033 -2.427 15.895 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.934 -4.820 16.013 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.290 -4.951 14.388 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.509 -3.986 13.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.114 -4.187 15.189 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.670 -6.128 13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.706 -6.593 15.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.666 -6.629 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.545 -6.016 12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.483 -8.264 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.004 -8.103 12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.683 -8.683 13.604 1.00 0.00 H new ATOM 945 N PHE A 59 3.055 -2.478 12.738 1.00 0.00 N ATOM 946 CA PHE A 59 3.245 -1.825 11.446 1.00 0.00 C ATOM 947 C PHE A 59 2.862 -0.352 11.531 1.00 0.00 C ATOM 948 O PHE A 59 3.284 0.460 10.711 1.00 0.00 O ATOM 949 CB PHE A 59 2.433 -2.525 10.351 1.00 0.00 C ATOM 950 CG PHE A 59 2.815 -3.963 10.152 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.077 -4.301 9.702 1.00 0.00 C ATOM 952 CD2 PHE A 59 1.916 -4.977 10.429 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.437 -5.624 9.534 1.00 0.00 C ATOM 954 CE2 PHE A 59 2.270 -6.299 10.260 1.00 0.00 C ATOM 955 CZ PHE A 59 3.532 -6.624 9.813 1.00 0.00 C ATOM 0 H PHE A 59 2.281 -3.141 12.767 1.00 0.00 H new ATOM 0 HA PHE A 59 4.301 -1.897 11.184 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.374 -2.470 10.603 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.566 -1.988 9.412 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.790 -3.521 9.479 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.925 -4.731 10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.428 -5.874 9.184 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.557 -7.080 10.478 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.811 -7.659 9.682 1.00 0.00 H new ATOM 965 N GLU A 60 2.061 -0.011 12.532 1.00 0.00 N ATOM 966 CA GLU A 60 1.719 1.379 12.788 1.00 0.00 C ATOM 967 C GLU A 60 2.930 2.126 13.343 1.00 0.00 C ATOM 968 O GLU A 60 3.170 3.280 12.994 1.00 0.00 O ATOM 969 CB GLU A 60 0.544 1.478 13.764 1.00 0.00 C ATOM 970 CG GLU A 60 0.112 2.906 14.050 1.00 0.00 C ATOM 971 CD GLU A 60 -0.932 2.993 15.140 1.00 0.00 C ATOM 972 OE1 GLU A 60 -0.585 2.764 16.316 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -2.100 3.303 14.825 1.00 0.00 O ATOM 0 H GLU A 60 1.638 -0.677 13.178 1.00 0.00 H new ATOM 0 HA GLU A 60 1.421 1.838 11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.303 0.925 13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.819 0.995 14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.983 3.494 14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.284 3.351 13.137 1.00 0.00 H new ATOM 980 N ASP A 61 3.701 1.457 14.194 1.00 0.00 N ATOM 981 CA ASP A 61 4.882 2.071 14.795 1.00 0.00 C ATOM 982 C ASP A 61 5.927 2.405 13.740 1.00 0.00 C ATOM 983 O ASP A 61 6.459 3.517 13.714 1.00 0.00 O ATOM 984 CB ASP A 61 5.497 1.164 15.857 1.00 0.00 C ATOM 985 CG ASP A 61 6.797 1.733 16.394 1.00 0.00 C ATOM 986 OD1 ASP A 61 6.746 2.679 17.211 1.00 0.00 O1- ATOM 987 OD2 ASP A 61 7.876 1.256 15.982 1.00 0.00 O ATOM 0 H ASP A 61 3.531 0.494 14.483 1.00 0.00 H new ATOM 0 HA ASP A 61 4.555 2.996 15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.791 1.032 16.677 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.679 0.177 15.432 1.00 0.00 H new ATOM 992 N MET A 62 6.211 1.450 12.861 1.00 0.00 N ATOM 993 CA MET A 62 7.181 1.672 11.794 1.00 0.00 C ATOM 994 C MET A 62 6.683 2.770 10.859 1.00 0.00 C ATOM 995 O MET A 62 7.475 3.532 10.305 1.00 0.00 O ATOM 996 CB MET A 62 7.453 0.381 11.011 1.00 0.00 C ATOM 997 CG MET A 62 6.294 -0.083 10.146 1.00 0.00 C ATOM 998 SD MET A 62 6.638 -1.635 9.296 1.00 0.00 S ATOM 999 CE MET A 62 6.801 -2.741 10.690 1.00 0.00 C ATOM 0 H MET A 62 5.788 0.522 12.865 1.00 0.00 H new ATOM 0 HA MET A 62 8.121 1.988 12.246 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.326 0.532 10.377 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.704 -0.411 11.716 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.407 -0.203 10.768 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.065 0.687 9.409 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.608 -3.764 10.367 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.811 -2.672 11.093 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.083 -2.463 11.461 1.00 0.00 H new ATOM 1009 N ALA A 63 5.362 2.862 10.718 1.00 0.00 N ATOM 1010 CA ALA A 63 4.752 3.917 9.924 1.00 0.00 C ATOM 1011 C ALA A 63 5.031 5.277 10.549 1.00 0.00 C ATOM 1012 O ALA A 63 5.287 6.243 9.848 1.00 0.00 O ATOM 1013 CB ALA A 63 3.251 3.692 9.787 1.00 0.00 C ATOM 0 H ALA A 63 4.697 2.217 11.145 1.00 0.00 H new ATOM 0 HA ALA A 63 5.192 3.894 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.816 4.493 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.070 2.735 9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.792 3.687 10.776 1.00 0.00 H new ATOM 1019 N LYS A 64 4.997 5.335 11.878 1.00 0.00 N ATOM 1020 CA LYS A 64 5.280 6.570 12.602 1.00 0.00 C ATOM 1021 C LYS A 64 6.745 6.966 12.436 1.00 0.00 C ATOM 1022 O LYS A 64 7.070 8.149 12.314 1.00 0.00 O ATOM 1023 CB LYS A 64 4.960 6.407 14.089 1.00 0.00 C ATOM 1024 CG LYS A 64 3.525 6.002 14.370 1.00 0.00 C ATOM 1025 CD LYS A 64 3.293 5.763 15.854 1.00 0.00 C ATOM 1026 CE LYS A 64 1.900 5.216 16.115 1.00 0.00 C ATOM 1027 NZ LYS A 64 0.840 6.162 15.677 1.00 0.00 N1+ ATOM 0 H LYS A 64 4.776 4.539 12.476 1.00 0.00 H new ATOM 0 HA LYS A 64 4.649 7.356 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.628 5.658 14.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.168 7.347 14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.850 6.781 14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.286 5.096 13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.038 5.063 16.232 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.427 6.697 16.400 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.779 4.268 15.591 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.785 5.010 17.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.086 5.823 16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.028 7.103 16.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.836 6.222 14.639 1.00 0.00 H new ATOM 1041 N ALA A 65 7.622 5.967 12.424 1.00 0.00 N ATOM 1042 CA ALA A 65 9.052 6.201 12.276 1.00 0.00 C ATOM 1043 C ALA A 65 9.363 6.763 10.893 1.00 0.00 C ATOM 1044 O ALA A 65 10.060 7.773 10.761 1.00 0.00 O ATOM 1045 CB ALA A 65 9.827 4.912 12.517 1.00 0.00 C ATOM 0 H ALA A 65 7.365 4.984 12.515 1.00 0.00 H new ATOM 0 HA ALA A 65 9.361 6.935 13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.894 5.102 12.403 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.629 4.551 13.526 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.514 4.159 11.794 1.00 0.00 H new ATOM 1051 N ASP A 66 8.826 6.117 9.866 1.00 0.00 N ATOM 1052 CA ASP A 66 9.026 6.568 8.492 1.00 0.00 C ATOM 1053 C ASP A 66 8.180 7.795 8.182 1.00 0.00 C ATOM 1054 O ASP A 66 8.440 8.501 7.216 1.00 0.00 O ATOM 1055 CB ASP A 66 8.722 5.452 7.493 1.00 0.00 C ATOM 1056 CG ASP A 66 9.904 4.529 7.284 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.768 4.848 6.433 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.979 3.479 7.957 1.00 0.00 O1- ATOM 0 H ASP A 66 8.249 5.280 9.956 1.00 0.00 H new ATOM 0 HA ASP A 66 10.076 6.843 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.870 4.872 7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.434 5.891 6.538 1.00 0.00 H new ATOM 1063 N LYS A 67 7.168 8.048 9.003 1.00 0.00 N ATOM 1064 CA LYS A 67 6.371 9.265 8.877 1.00 0.00 C ATOM 1065 C LYS A 67 7.211 10.472 9.268 1.00 0.00 C ATOM 1066 O LYS A 67 7.155 11.519 8.624 1.00 0.00 O ATOM 1067 CB LYS A 67 5.121 9.187 9.757 1.00 0.00 C ATOM 1068 CG LYS A 67 4.176 10.365 9.586 1.00 0.00 C ATOM 1069 CD LYS A 67 2.961 10.238 10.490 1.00 0.00 C ATOM 1070 CE LYS A 67 1.990 11.388 10.279 1.00 0.00 C ATOM 1071 NZ LYS A 67 0.799 11.285 11.160 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.879 7.430 9.761 1.00 0.00 H new ATOM 0 HA LYS A 67 6.053 9.368 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.584 8.266 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.427 9.127 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.703 11.292 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.853 10.426 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.456 9.293 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.281 10.217 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.500 12.332 10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.669 11.404 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.165 12.090 10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.296 10.397 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.101 11.296 12.155 1.00 0.00 H new ATOM 1085 N ALA A 68 7.998 10.318 10.328 1.00 0.00 N ATOM 1086 CA ALA A 68 8.933 11.356 10.735 1.00 0.00 C ATOM 1087 C ALA A 68 10.006 11.526 9.669 1.00 0.00 C ATOM 1088 O ALA A 68 10.453 12.636 9.386 1.00 0.00 O ATOM 1089 CB ALA A 68 9.558 11.012 12.078 1.00 0.00 C ATOM 0 H ALA A 68 8.006 9.486 10.918 1.00 0.00 H new ATOM 0 HA ALA A 68 8.395 12.297 10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.255 11.799 12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.776 10.925 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.092 10.065 11.999 1.00 0.00 H new ATOM 1095 N ARG A 69 10.400 10.409 9.070 1.00 0.00 N ATOM 1096 CA ARG A 69 11.343 10.414 7.958 1.00 0.00 C ATOM 1097 C ARG A 69 10.728 11.106 6.741 1.00 0.00 C ATOM 1098 O ARG A 69 11.408 11.820 6.001 1.00 0.00 O ATOM 1099 CB ARG A 69 11.746 8.974 7.624 1.00 0.00 C ATOM 1100 CG ARG A 69 12.520 8.824 6.327 1.00 0.00 C ATOM 1101 CD ARG A 69 12.921 7.378 6.090 1.00 0.00 C ATOM 1102 NE ARG A 69 13.999 6.949 6.981 1.00 0.00 N ATOM 1103 CZ ARG A 69 14.189 5.687 7.377 1.00 0.00 C ATOM 1104 NH1 ARG A 69 13.284 4.749 7.121 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 15.269 5.366 8.075 1.00 0.00 N ATOM 0 H ARG A 69 10.077 9.479 9.339 1.00 0.00 H new ATOM 0 HA ARG A 69 12.235 10.971 8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.350 8.580 8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.846 8.361 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.911 9.176 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.411 9.451 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.054 6.734 6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.238 7.256 5.054 1.00 0.00 H new ATOM 0 HE ARG A 69 14.647 7.659 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.431 4.988 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.442 3.790 7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.956 6.083 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.413 4.402 8.377 1.00 0.00 H new ATOM 1119 N TYR A 70 9.432 10.888 6.553 1.00 0.00 N ATOM 1120 CA TYR A 70 8.671 11.542 5.501 1.00 0.00 C ATOM 1121 C TYR A 70 8.666 13.049 5.712 1.00 0.00 C ATOM 1122 O TYR A 70 8.944 13.810 4.786 1.00 0.00 O ATOM 1123 CB TYR A 70 7.239 10.988 5.475 1.00 0.00 C ATOM 1124 CG TYR A 70 6.227 11.904 4.825 1.00 0.00 C ATOM 1125 CD1 TYR A 70 6.080 11.942 3.448 1.00 0.00 C ATOM 1126 CD2 TYR A 70 5.418 12.727 5.596 1.00 0.00 C ATOM 1127 CE1 TYR A 70 5.154 12.778 2.855 1.00 0.00 C ATOM 1128 CE2 TYR A 70 4.492 13.564 5.013 1.00 0.00 C ATOM 1129 CZ TYR A 70 4.362 13.588 3.641 1.00 0.00 C ATOM 1130 OH TYR A 70 3.435 14.424 3.057 1.00 0.00 O ATOM 0 H TYR A 70 8.880 10.251 7.128 1.00 0.00 H new ATOM 0 HA TYR A 70 9.140 11.337 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.241 10.035 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.922 10.784 6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.698 11.309 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.516 12.711 6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.051 12.797 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.871 14.198 5.628 1.00 0.00 H new ATOM 0 HH TYR A 70 2.961 14.924 3.754 1.00 0.00 H new ATOM 1140 N GLU A 71 8.360 13.467 6.937 1.00 0.00 N ATOM 1141 CA GLU A 71 8.349 14.871 7.297 1.00 0.00 C ATOM 1142 C GLU A 71 9.666 15.547 6.941 1.00 0.00 C ATOM 1143 O GLU A 71 9.666 16.613 6.330 1.00 0.00 O ATOM 1144 CB GLU A 71 8.062 15.016 8.787 1.00 0.00 C ATOM 1145 CG GLU A 71 6.604 14.784 9.147 1.00 0.00 C ATOM 1146 CD GLU A 71 5.683 15.814 8.522 1.00 0.00 C ATOM 1147 OE1 GLU A 71 5.955 17.027 8.663 1.00 0.00 O1- ATOM 1148 OE2 GLU A 71 4.689 15.422 7.879 1.00 0.00 O ATOM 0 H GLU A 71 8.114 12.839 7.702 1.00 0.00 H new ATOM 0 HA GLU A 71 7.562 15.365 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.682 14.309 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.354 16.015 9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.306 13.788 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.492 14.810 10.231 1.00 0.00 H new ATOM 1390 N GLN B 16 11.754 -27.411 -27.825 1.00 0.00 N ATOM 1391 CA GLN B 16 10.360 -27.643 -27.422 1.00 0.00 C ATOM 1392 C GLN B 16 9.430 -27.663 -28.637 1.00 0.00 C ATOM 1393 O GLN B 16 8.218 -27.516 -28.503 1.00 0.00 O ATOM 1394 CB GLN B 16 9.889 -26.578 -26.424 1.00 0.00 C ATOM 1395 CG GLN B 16 10.691 -26.544 -25.136 1.00 0.00 C ATOM 1396 CD GLN B 16 10.191 -25.488 -24.164 1.00 0.00 C ATOM 1397 OE1 GLN B 16 9.651 -24.454 -24.565 1.00 0.00 O ATOM 1398 NE2 GLN B 16 10.366 -25.745 -22.878 1.00 0.00 N ATOM 0 HA GLN B 16 10.321 -28.618 -26.937 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.943 -25.599 -26.900 1.00 0.00 H new ATOM 0 HB3 GLN B 16 8.841 -26.758 -26.183 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.646 -27.523 -24.658 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.738 -26.351 -25.369 1.00 0.00 H new ATOM 0 HE21 GLN B 16 10.817 -26.613 -22.588 1.00 0.00 H new ATOM 0 HE22 GLN B 16 10.049 -25.076 -22.176 1.00 0.00 H new ATOM 1407 N GLU B 17 10.018 -27.893 -29.808 1.00 0.00 N ATOM 1408 CA GLU B 17 9.304 -27.841 -31.080 1.00 0.00 C ATOM 1409 C GLU B 17 8.082 -28.764 -31.085 1.00 0.00 C ATOM 1410 O GLU B 17 6.943 -28.299 -31.103 1.00 0.00 O ATOM 1411 CB GLU B 17 10.264 -28.218 -32.207 1.00 0.00 C ATOM 1412 CG GLU B 17 9.651 -28.157 -33.592 1.00 0.00 C ATOM 1413 CD GLU B 17 10.587 -28.688 -34.652 1.00 0.00 C ATOM 1414 OE1 GLU B 17 10.635 -29.923 -34.834 1.00 0.00 O1- ATOM 1415 OE2 GLU B 17 11.281 -27.879 -35.300 1.00 0.00 O ATOM 0 H GLU B 17 11.008 -28.122 -29.901 1.00 0.00 H new ATOM 0 HA GLU B 17 8.937 -26.826 -31.230 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.126 -27.551 -32.174 1.00 0.00 H new ATOM 0 HB3 GLU B 17 10.635 -29.227 -32.030 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.726 -28.733 -33.604 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.387 -27.126 -33.826 1.00 0.00 H new ATOM 1422 N THR B 18 8.321 -30.066 -31.070 1.00 0.00 N ATOM 1423 CA THR B 18 7.239 -31.038 -31.019 1.00 0.00 C ATOM 1424 C THR B 18 6.802 -31.288 -29.580 1.00 0.00 C ATOM 1425 O THR B 18 5.714 -31.803 -29.323 1.00 0.00 O ATOM 1426 CB THR B 18 7.675 -32.367 -31.659 1.00 0.00 C ATOM 1427 OG1 THR B 18 8.989 -32.710 -31.194 1.00 0.00 O ATOM 1428 CG2 THR B 18 7.671 -32.269 -33.176 1.00 0.00 C ATOM 0 H THR B 18 9.255 -30.475 -31.092 1.00 0.00 H new ATOM 0 HA THR B 18 6.398 -30.629 -31.579 1.00 0.00 H new ATOM 0 HB THR B 18 6.967 -33.143 -31.369 1.00 0.00 H new ATOM 0 HG1 THR B 18 9.268 -33.557 -31.599 1.00 0.00 H new ATOM 0 HG21 THR B 18 7.983 -33.222 -33.603 1.00 0.00 H new ATOM 0 HG22 THR B 18 6.666 -32.028 -33.522 1.00 0.00 H new ATOM 0 HG23 THR B 18 8.361 -31.487 -33.492 1.00 0.00 H new ATOM 1436 N PHE B 19 7.649 -30.888 -28.643 1.00 0.00 N ATOM 1437 CA PHE B 19 7.418 -31.149 -27.228 1.00 0.00 C ATOM 1438 C PHE B 19 6.247 -30.332 -26.693 1.00 0.00 C ATOM 1439 O PHE B 19 5.560 -30.753 -25.764 1.00 0.00 O ATOM 1440 CB PHE B 19 8.683 -30.847 -26.425 1.00 0.00 C ATOM 1441 CG PHE B 19 9.877 -31.640 -26.880 1.00 0.00 C ATOM 1442 CD1 PHE B 19 10.129 -32.899 -26.358 1.00 0.00 C ATOM 1443 CD2 PHE B 19 10.744 -31.129 -27.834 1.00 0.00 C ATOM 1444 CE1 PHE B 19 11.222 -33.633 -26.779 1.00 0.00 C ATOM 1445 CE2 PHE B 19 11.837 -31.859 -28.259 1.00 0.00 C ATOM 1446 CZ PHE B 19 12.076 -33.112 -27.730 1.00 0.00 C ATOM 0 H PHE B 19 8.510 -30.377 -28.839 1.00 0.00 H new ATOM 0 HA PHE B 19 7.166 -32.204 -27.118 1.00 0.00 H new ATOM 0 HB2 PHE B 19 8.910 -29.784 -26.503 1.00 0.00 H new ATOM 0 HB3 PHE B 19 8.496 -31.056 -25.372 1.00 0.00 H new ATOM 0 HD1 PHE B 19 9.464 -33.311 -25.614 1.00 0.00 H new ATOM 0 HD2 PHE B 19 10.563 -30.149 -28.250 1.00 0.00 H new ATOM 0 HE1 PHE B 19 11.408 -34.613 -26.364 1.00 0.00 H new ATOM 0 HE2 PHE B 19 12.504 -31.450 -29.004 1.00 0.00 H new ATOM 0 HZ PHE B 19 12.931 -33.684 -28.060 1.00 0.00 H new ATOM 1456 N SER B 20 6.010 -29.173 -27.293 1.00 0.00 N ATOM 1457 CA SER B 20 4.932 -28.297 -26.856 1.00 0.00 C ATOM 1458 C SER B 20 3.587 -28.772 -27.406 1.00 0.00 C ATOM 1459 O SER B 20 2.540 -28.203 -27.098 1.00 0.00 O ATOM 1460 CB SER B 20 5.207 -26.863 -27.307 1.00 0.00 C ATOM 1461 OG SER B 20 5.334 -26.789 -28.717 1.00 0.00 O ATOM 0 H SER B 20 6.549 -28.818 -28.083 1.00 0.00 H new ATOM 0 HA SER B 20 4.886 -28.327 -25.767 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.397 -26.213 -26.977 1.00 0.00 H new ATOM 0 HB3 SER B 20 6.120 -26.499 -26.836 1.00 0.00 H new ATOM 0 HG SER B 20 6.253 -27.012 -28.975 1.00 0.00 H new ATOM 1467 N ASP B 21 3.620 -29.817 -28.225 1.00 0.00 N ATOM 1468 CA ASP B 21 2.401 -30.364 -28.810 1.00 0.00 C ATOM 1469 C ASP B 21 1.913 -31.555 -27.994 1.00 0.00 C ATOM 1470 O ASP B 21 0.746 -31.942 -28.067 1.00 0.00 O ATOM 1471 CB ASP B 21 2.652 -30.788 -30.263 1.00 0.00 C ATOM 1472 CG ASP B 21 1.375 -31.153 -30.996 1.00 0.00 C ATOM 1473 OD1 ASP B 21 0.760 -30.249 -31.603 1.00 0.00 O1- ATOM 1474 OD2 ASP B 21 0.991 -32.338 -30.986 1.00 0.00 O ATOM 0 H ASP B 21 4.475 -30.301 -28.499 1.00 0.00 H new ATOM 0 HA ASP B 21 1.632 -29.591 -28.798 1.00 0.00 H new ATOM 0 HB2 ASP B 21 3.151 -29.976 -30.793 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.330 -31.641 -30.276 1.00 0.00 H new ATOM 1479 N LEU B 22 2.812 -32.105 -27.186 1.00 0.00 N ATOM 1480 CA LEU B 22 2.530 -33.311 -26.411 1.00 0.00 C ATOM 1481 C LEU B 22 1.442 -33.079 -25.366 1.00 0.00 C ATOM 1482 O LEU B 22 0.662 -33.980 -25.061 1.00 0.00 O ATOM 1483 CB LEU B 22 3.808 -33.810 -25.726 1.00 0.00 C ATOM 1484 CG LEU B 22 4.936 -34.226 -26.672 1.00 0.00 C ATOM 1485 CD1 LEU B 22 6.176 -34.609 -25.880 1.00 0.00 C ATOM 1486 CD2 LEU B 22 4.489 -35.379 -27.556 1.00 0.00 C ATOM 0 H LEU B 22 3.751 -31.732 -27.049 1.00 0.00 H new ATOM 0 HA LEU B 22 2.167 -34.067 -27.107 1.00 0.00 H new ATOM 0 HB2 LEU B 22 4.179 -33.024 -25.068 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.554 -34.661 -25.094 1.00 0.00 H new ATOM 0 HG LEU B 22 5.184 -33.379 -27.312 1.00 0.00 H new ATOM 0 HD11 LEU B 22 6.970 -34.903 -26.567 1.00 0.00 H new ATOM 0 HD12 LEU B 22 6.506 -33.756 -25.287 1.00 0.00 H new ATOM 0 HD13 LEU B 22 5.942 -35.443 -25.218 1.00 0.00 H new ATOM 0 HD21 LEU B 22 5.303 -35.663 -28.223 1.00 0.00 H new ATOM 0 HD22 LEU B 22 4.217 -36.231 -26.933 1.00 0.00 H new ATOM 0 HD23 LEU B 22 3.626 -35.071 -28.147 1.00 0.00 H new ATOM 1498 N TRP B 23 1.377 -31.870 -24.822 1.00 0.00 N ATOM 1499 CA TRP B 23 0.403 -31.573 -23.782 1.00 0.00 C ATOM 1500 C TRP B 23 -0.876 -30.989 -24.378 1.00 0.00 C ATOM 1501 O TRP B 23 -1.831 -30.699 -23.660 1.00 0.00 O ATOM 1502 CB TRP B 23 0.994 -30.618 -22.733 1.00 0.00 C ATOM 1503 CG TRP B 23 1.290 -29.237 -23.250 1.00 0.00 C ATOM 1504 CD1 TRP B 23 2.408 -28.828 -23.918 1.00 0.00 C ATOM 1505 CD2 TRP B 23 0.456 -28.078 -23.121 1.00 0.00 C ATOM 1506 NE1 TRP B 23 2.315 -27.489 -24.219 1.00 0.00 N ATOM 1507 CE2 TRP B 23 1.128 -27.008 -23.738 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -0.796 -27.846 -22.546 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 0.590 -25.725 -23.796 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -1.329 -26.573 -22.602 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -0.637 -25.526 -23.222 1.00 0.00 C ATOM 0 H TRP B 23 1.980 -31.089 -25.080 1.00 0.00 H new ATOM 0 HA TRP B 23 0.150 -32.511 -23.287 1.00 0.00 H new ATOM 0 HB2 TRP B 23 0.298 -30.539 -21.898 1.00 0.00 H new ATOM 0 HB3 TRP B 23 1.914 -31.052 -22.341 1.00 0.00 H new ATOM 0 HD1 TRP B 23 3.244 -29.463 -24.173 1.00 0.00 H new ATOM 0 HE1 TRP B 23 3.017 -26.944 -24.719 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -1.337 -28.648 -22.066 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 1.121 -24.916 -24.276 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -2.296 -26.382 -22.160 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -1.080 -24.541 -23.248 1.00 0.00 H new ATOM 1522 N LYS B 24 -0.905 -30.857 -25.702 1.00 0.00 N ATOM 1523 CA LYS B 24 -2.065 -30.296 -26.393 1.00 0.00 C ATOM 1524 C LYS B 24 -3.161 -31.345 -26.572 1.00 0.00 C ATOM 1525 O LYS B 24 -3.996 -31.244 -27.471 1.00 0.00 O ATOM 1526 CB LYS B 24 -1.657 -29.723 -27.753 1.00 0.00 C ATOM 1527 CG LYS B 24 -0.897 -28.408 -27.663 1.00 0.00 C ATOM 1528 CD LYS B 24 -0.502 -27.898 -29.041 1.00 0.00 C ATOM 1529 CE LYS B 24 0.091 -26.499 -28.982 1.00 0.00 C ATOM 1530 NZ LYS B 24 -0.929 -25.473 -28.636 1.00 0.00 N1+ ATOM 0 H LYS B 24 -0.139 -31.130 -26.318 1.00 0.00 H new ATOM 0 HA LYS B 24 -2.462 -29.490 -25.776 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -1.039 -30.454 -28.274 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -2.552 -29.574 -28.357 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -1.515 -27.663 -27.161 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -0.003 -28.544 -27.054 1.00 0.00 H new ATOM 0 HD2 LYS B 24 0.222 -28.580 -29.486 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -1.377 -27.894 -29.691 1.00 0.00 H new ATOM 0 HE2 LYS B 24 0.892 -26.476 -28.244 1.00 0.00 H new ATOM 0 HE3 LYS B 24 0.538 -26.254 -29.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -0.532 -24.524 -28.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -1.766 -25.599 -29.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -1.203 -25.578 -27.638 1.00 0.00 H new ATOM 1544 N LEU B 25 -3.156 -32.345 -25.697 1.00 0.00 N ATOM 1545 CA LEU B 25 -4.178 -33.385 -25.705 1.00 0.00 C ATOM 1546 C LEU B 25 -5.481 -32.836 -25.146 1.00 0.00 C ATOM 1547 O LEU B 25 -6.564 -33.353 -25.426 1.00 0.00 O ATOM 1548 CB LEU B 25 -3.721 -34.590 -24.882 1.00 0.00 C ATOM 1549 CG LEU B 25 -2.398 -35.219 -25.322 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -2.079 -36.433 -24.467 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -2.448 -35.602 -26.792 1.00 0.00 C ATOM 0 H LEU B 25 -2.451 -32.457 -24.969 1.00 0.00 H new ATOM 0 HA LEU B 25 -4.339 -33.708 -26.733 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.630 -34.284 -23.840 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -4.498 -35.353 -24.923 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.606 -34.482 -25.188 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.135 -36.869 -24.793 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.999 -36.131 -23.423 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.875 -37.171 -24.571 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.497 -36.048 -27.084 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -3.251 -36.321 -26.953 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.632 -34.712 -27.394 1.00 0.00 H new ATOM 1563 N LEU B 26 -5.368 -31.790 -24.343 1.00 0.00 N ATOM 1564 CA LEU B 26 -6.531 -31.084 -23.845 1.00 0.00 C ATOM 1565 C LEU B 26 -6.736 -29.805 -24.646 1.00 0.00 C ATOM 1566 O LEU B 26 -5.944 -28.870 -24.563 1.00 0.00 O ATOM 1567 CB LEU B 26 -6.403 -30.805 -22.337 1.00 0.00 C ATOM 1568 CG LEU B 26 -4.976 -30.598 -21.802 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -4.501 -29.168 -22.005 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -4.907 -30.975 -20.330 1.00 0.00 C ATOM 0 H LEU B 26 -4.477 -31.412 -24.023 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.413 -31.711 -23.974 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -6.989 -29.916 -22.102 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -6.854 -31.636 -21.796 1.00 0.00 H new ATOM 0 HG LEU B 26 -4.311 -31.249 -22.369 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.489 -29.062 -21.614 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.506 -28.931 -23.069 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -5.167 -28.485 -21.478 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -3.892 -30.824 -19.963 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -5.595 -30.349 -19.762 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -5.185 -32.022 -20.209 1.00 0.00 H new ATOM 1582 N PRO B 27 -7.783 -29.770 -25.476 1.00 0.00 N ATOM 1583 CA PRO B 27 -8.049 -28.633 -26.351 1.00 0.00 C ATOM 1584 C PRO B 27 -8.487 -27.397 -25.575 1.00 0.00 C ATOM 1585 O PRO B 27 -9.662 -27.240 -25.231 1.00 0.00 O ATOM 1586 CB PRO B 27 -9.172 -29.127 -27.275 1.00 0.00 C ATOM 1587 CG PRO B 27 -9.261 -30.599 -27.046 1.00 0.00 C ATOM 1588 CD PRO B 27 -8.780 -30.830 -25.645 1.00 0.00 C ATOM 0 HA PRO B 27 -7.155 -28.323 -26.893 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -10.117 -28.636 -27.041 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -8.947 -28.905 -28.318 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -10.285 -30.952 -27.170 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -8.647 -31.143 -27.764 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -9.589 -30.747 -24.919 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -8.344 -31.821 -25.524 1.00 0.00 H new ATOM 1596 N GLU B 28 -7.522 -26.542 -25.291 1.00 0.00 N ATOM 1597 CA GLU B 28 -7.775 -25.273 -24.635 1.00 0.00 C ATOM 1598 C GLU B 28 -7.881 -24.166 -25.676 1.00 0.00 C ATOM 1599 O GLU B 28 -7.698 -24.408 -26.869 1.00 0.00 O ATOM 1600 CB GLU B 28 -6.646 -24.952 -23.653 1.00 0.00 C ATOM 1601 CG GLU B 28 -6.633 -25.827 -22.411 1.00 0.00 C ATOM 1602 CD GLU B 28 -7.776 -25.513 -21.466 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -7.775 -24.411 -20.878 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -8.674 -26.362 -21.302 1.00 0.00 O1- ATOM 0 H GLU B 28 -6.540 -26.708 -25.509 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.713 -25.342 -24.085 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -5.691 -25.057 -24.168 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -6.731 -23.909 -23.348 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -6.689 -26.874 -22.708 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -5.686 -25.694 -21.887 1.00 0.00 H new ATOM 1811 N LEU B 43 -4.470 -3.091 -3.585 1.00 0.00 N ATOM 1812 CA LEU B 43 -5.246 -2.974 -2.357 1.00 0.00 C ATOM 1813 C LEU B 43 -4.532 -2.069 -1.357 1.00 0.00 C ATOM 1814 O LEU B 43 -5.169 -1.298 -0.640 1.00 0.00 O ATOM 1815 CB LEU B 43 -5.446 -4.347 -1.720 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.137 -5.391 -2.591 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.057 -6.759 -1.929 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -7.585 -5.001 -2.843 1.00 0.00 C ATOM 0 HA LEU B 43 -6.214 -2.544 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.471 -4.735 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -6.028 -4.221 -0.807 1.00 0.00 H new ATOM 0 HG LEU B 43 -5.626 -5.439 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.553 -7.497 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.012 -7.039 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -6.549 -6.722 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.062 -5.757 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.113 -4.928 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.619 -4.038 -3.352 1.00 0.00 H new ATOM 1830 N MET B 44 -3.209 -2.187 -1.302 1.00 0.00 N ATOM 1831 CA MET B 44 -2.408 -1.401 -0.373 1.00 0.00 C ATOM 1832 C MET B 44 -1.227 -0.737 -1.068 1.00 0.00 C ATOM 1833 O MET B 44 -0.983 0.455 -0.879 1.00 0.00 O ATOM 1834 CB MET B 44 -1.929 -2.244 0.818 1.00 0.00 C ATOM 1835 CG MET B 44 -1.407 -3.627 0.466 1.00 0.00 C ATOM 1836 SD MET B 44 -2.736 -4.770 0.024 1.00 0.00 S ATOM 1837 CE MET B 44 -1.879 -6.336 -0.099 1.00 0.00 C ATOM 0 H MET B 44 -2.669 -2.821 -1.891 1.00 0.00 H new ATOM 0 HA MET B 44 -3.057 -0.614 0.011 1.00 0.00 H new ATOM 0 HB2 MET B 44 -1.141 -1.697 1.336 1.00 0.00 H new ATOM 0 HB3 MET B 44 -2.755 -2.353 1.520 1.00 0.00 H new ATOM 0 HG2 MET B 44 -0.707 -3.548 -0.366 1.00 0.00 H new ATOM 0 HG3 MET B 44 -0.851 -4.030 1.313 1.00 0.00 H new ATOM 0 HE1 MET B 44 -2.482 -7.036 -0.677 1.00 0.00 H new ATOM 0 HE2 MET B 44 -0.920 -6.188 -0.595 1.00 0.00 H new ATOM 0 HE3 MET B 44 -1.712 -6.739 0.900 1.00 0.00 H new ATOM 1847 N LEU B 45 -0.494 -1.497 -1.868 1.00 0.00 N ATOM 1848 CA LEU B 45 0.612 -0.937 -2.624 1.00 0.00 C ATOM 1849 C LEU B 45 0.139 -0.628 -4.037 1.00 0.00 C ATOM 1850 O LEU B 45 -0.008 -1.512 -4.871 1.00 0.00 O ATOM 1851 CB LEU B 45 1.840 -1.875 -2.618 1.00 0.00 C ATOM 1852 CG LEU B 45 2.557 -1.992 -1.259 1.00 0.00 C ATOM 1853 CD1 LEU B 45 3.936 -2.635 -1.394 1.00 0.00 C ATOM 1854 CD2 LEU B 45 2.698 -0.627 -0.631 1.00 0.00 C ATOM 0 H LEU B 45 -0.645 -2.496 -2.009 1.00 0.00 H new ATOM 0 HA LEU B 45 0.938 -0.011 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU B 45 1.522 -2.869 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU B 45 2.555 -1.520 -3.361 1.00 0.00 H new ATOM 0 HG LEU B 45 1.948 -2.634 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.406 -2.698 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU B 45 3.831 -3.637 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU B 45 4.556 -2.030 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.206 -0.719 0.329 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.280 0.018 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU B 45 1.710 -0.193 -0.479 1.00 0.00 H new ATOM 1866 N SER B 46 -0.153 0.636 -4.278 1.00 0.00 N ATOM 1867 CA SER B 46 -0.741 1.051 -5.536 1.00 0.00 C ATOM 1868 C SER B 46 0.326 1.525 -6.521 1.00 0.00 C ATOM 1869 O SER B 46 1.280 2.207 -6.131 1.00 0.00 O ATOM 1870 CB SER B 46 -1.757 2.163 -5.276 1.00 0.00 C ATOM 1871 OG SER B 46 -2.751 1.732 -4.359 1.00 0.00 O ATOM 0 H SER B 46 0.008 1.395 -3.616 1.00 0.00 H new ATOM 0 HA SER B 46 -1.243 0.194 -5.985 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.248 3.042 -4.881 1.00 0.00 H new ATOM 0 HB3 SER B 46 -2.225 2.461 -6.214 1.00 0.00 H new ATOM 0 HG SER B 46 -3.391 2.458 -4.205 1.00 0.00 H new ATOM 1877 N PRO B 47 0.174 1.156 -7.813 1.00 0.00 N ATOM 1878 CA PRO B 47 1.073 1.577 -8.901 1.00 0.00 C ATOM 1879 C PRO B 47 1.405 3.065 -8.852 1.00 0.00 C ATOM 1880 O PRO B 47 2.493 3.480 -9.255 1.00 0.00 O ATOM 1881 CB PRO B 47 0.265 1.256 -10.154 1.00 0.00 C ATOM 1882 CG PRO B 47 -0.564 0.083 -9.770 1.00 0.00 C ATOM 1883 CD PRO B 47 -0.893 0.264 -8.311 1.00 0.00 C ATOM 0 HA PRO B 47 2.039 1.075 -8.848 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -0.356 2.100 -10.453 1.00 0.00 H new ATOM 0 HB3 PRO B 47 0.915 1.024 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -1.472 0.034 -10.371 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -0.022 -0.848 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -1.880 0.708 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -0.897 -0.689 -7.781 1.00 0.00 H new ATOM 1891 N ASP B 48 0.454 3.848 -8.351 1.00 0.00 N ATOM 1892 CA ASP B 48 0.615 5.288 -8.179 1.00 0.00 C ATOM 1893 C ASP B 48 1.943 5.613 -7.500 1.00 0.00 C ATOM 1894 O ASP B 48 2.701 6.471 -7.955 1.00 0.00 O ATOM 1895 CB ASP B 48 -0.521 5.846 -7.309 1.00 0.00 C ATOM 1896 CG ASP B 48 -1.902 5.403 -7.757 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -2.214 4.194 -7.642 1.00 0.00 O ATOM 1898 OD2 ASP B 48 -2.701 6.262 -8.185 1.00 0.00 O1- ATOM 0 H ASP B 48 -0.456 3.499 -8.051 1.00 0.00 H new ATOM 0 HA ASP B 48 0.593 5.743 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -0.365 5.532 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -0.476 6.935 -7.321 1.00 0.00 H new ATOM 1903 N ASP B 49 2.212 4.923 -6.400 1.00 0.00 N ATOM 1904 CA ASP B 49 3.391 5.201 -5.594 1.00 0.00 C ATOM 1905 C ASP B 49 4.501 4.194 -5.834 1.00 0.00 C ATOM 1906 O ASP B 49 5.672 4.562 -5.936 1.00 0.00 O ATOM 1907 CB ASP B 49 3.036 5.205 -4.109 1.00 0.00 C ATOM 1908 CG ASP B 49 2.156 6.374 -3.732 1.00 0.00 C ATOM 1909 OD1 ASP B 49 2.555 7.528 -3.999 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 1.059 6.145 -3.174 1.00 0.00 O ATOM 0 H ASP B 49 1.628 4.166 -6.046 1.00 0.00 H new ATOM 0 HA ASP B 49 3.751 6.185 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.527 4.274 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.952 5.238 -3.519 1.00 0.00 H new ATOM 1915 N ILE B 50 4.129 2.927 -5.935 1.00 0.00 N ATOM 1916 CA ILE B 50 5.100 1.841 -5.885 1.00 0.00 C ATOM 1917 C ILE B 50 6.070 1.847 -7.046 1.00 0.00 C ATOM 1918 O ILE B 50 7.180 1.361 -6.902 1.00 0.00 O ATOM 1919 CB ILE B 50 4.432 0.460 -5.825 1.00 0.00 C ATOM 1920 CG1 ILE B 50 3.607 0.194 -7.080 1.00 0.00 C ATOM 1921 CG2 ILE B 50 3.568 0.361 -4.594 1.00 0.00 C ATOM 1922 CD1 ILE B 50 2.925 -1.153 -7.074 1.00 0.00 C ATOM 0 H ILE B 50 3.162 2.624 -6.052 1.00 0.00 H new ATOM 0 HA ILE B 50 5.655 2.023 -4.965 1.00 0.00 H new ATOM 0 HB ILE B 50 5.213 -0.299 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.853 0.974 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.256 0.261 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.097 -0.621 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE B 50 4.183 0.501 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.798 1.131 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.356 -1.277 -7.995 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.675 -1.940 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.251 -1.216 -6.220 1.00 0.00 H new ATOM 1934 N GLU B 51 5.685 2.417 -8.176 1.00 0.00 N ATOM 1935 CA GLU B 51 6.507 2.319 -9.371 1.00 0.00 C ATOM 1936 C GLU B 51 7.864 3.011 -9.207 1.00 0.00 C ATOM 1937 O GLU B 51 8.718 2.935 -10.091 1.00 0.00 O ATOM 1938 CB GLU B 51 5.773 2.876 -10.586 1.00 0.00 C ATOM 1939 CG GLU B 51 4.702 1.947 -11.130 1.00 0.00 C ATOM 1940 CD GLU B 51 4.144 2.422 -12.455 1.00 0.00 C ATOM 1941 OE1 GLU B 51 4.805 2.203 -13.495 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 3.053 3.023 -12.466 1.00 0.00 O ATOM 0 H GLU B 51 4.820 2.946 -8.291 1.00 0.00 H new ATOM 0 HA GLU B 51 6.700 1.258 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU B 51 5.314 3.828 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.497 3.082 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU B 51 5.120 0.948 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU B 51 3.892 1.867 -10.405 1.00 0.00 H new ATOM 1949 N GLN B 52 8.056 3.692 -8.084 1.00 0.00 N ATOM 1950 CA GLN B 52 9.336 4.313 -7.781 1.00 0.00 C ATOM 1951 C GLN B 52 10.276 3.319 -7.088 1.00 0.00 C ATOM 1952 O GLN B 52 11.497 3.421 -7.200 1.00 0.00 O ATOM 1953 CB GLN B 52 9.132 5.535 -6.883 1.00 0.00 C ATOM 1954 CG GLN B 52 8.161 6.565 -7.444 1.00 0.00 C ATOM 1955 CD GLN B 52 8.647 7.199 -8.735 1.00 0.00 C ATOM 1956 OE1 GLN B 52 9.347 8.211 -8.716 1.00 0.00 O ATOM 1957 NE2 GLN B 52 8.263 6.623 -9.862 1.00 0.00 N ATOM 0 H GLN B 52 7.341 3.827 -7.369 1.00 0.00 H new ATOM 0 HA GLN B 52 9.789 4.626 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN B 52 8.769 5.201 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN B 52 10.097 6.014 -6.716 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.197 6.088 -7.621 1.00 0.00 H new ATOM 0 HG3 GLN B 52 7.999 7.346 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN B 52 7.683 5.785 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN B 52 8.547 7.017 -10.759 1.00 0.00 H new ATOM 1966 N TRP B 53 9.695 2.358 -6.373 1.00 0.00 N ATOM 1967 CA TRP B 53 10.469 1.422 -5.552 1.00 0.00 C ATOM 1968 C TRP B 53 10.045 -0.033 -5.788 1.00 0.00 C ATOM 1969 O TRP B 53 10.877 -0.895 -6.064 1.00 0.00 O ATOM 1970 CB TRP B 53 10.361 1.788 -4.063 1.00 0.00 C ATOM 1971 CG TRP B 53 9.131 2.574 -3.711 1.00 0.00 C ATOM 1972 CD1 TRP B 53 8.947 3.916 -3.889 1.00 0.00 C ATOM 1973 CD2 TRP B 53 7.929 2.082 -3.109 1.00 0.00 C ATOM 1974 NE1 TRP B 53 7.701 4.283 -3.459 1.00 0.00 N ATOM 1975 CE2 TRP B 53 7.058 3.181 -2.966 1.00 0.00 C ATOM 1976 CE3 TRP B 53 7.497 0.825 -2.680 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 5.787 3.060 -2.416 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 6.235 0.708 -2.130 1.00 0.00 C ATOM 1979 CH2 TRP B 53 5.394 1.822 -2.002 1.00 0.00 C ATOM 0 H TRP B 53 8.687 2.205 -6.344 1.00 0.00 H new ATOM 0 HA TRP B 53 11.512 1.508 -5.856 1.00 0.00 H new ATOM 0 HB2 TRP B 53 10.374 0.872 -3.473 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.241 2.364 -3.777 1.00 0.00 H new ATOM 0 HD1 TRP B 53 9.679 4.590 -4.309 1.00 0.00 H new ATOM 0 HE1 TRP B 53 7.314 5.226 -3.500 1.00 0.00 H new ATOM 0 HE3 TRP B 53 8.137 -0.039 -2.776 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 5.135 3.915 -2.320 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 5.891 -0.258 -1.793 1.00 0.00 H new ATOM 0 HH2 TRP B 53 4.414 1.697 -1.566 1.00 0.00 H new ATOM 1990 N PHE B 54 8.752 -0.300 -5.675 1.00 0.00 N ATOM 1991 CA PHE B 54 8.211 -1.638 -5.896 1.00 0.00 C ATOM 1992 C PHE B 54 7.990 -1.859 -7.393 1.00 0.00 C ATOM 1993 O PHE B 54 6.952 -1.487 -7.941 1.00 0.00 O ATOM 1994 CB PHE B 54 6.893 -1.807 -5.118 1.00 0.00 C ATOM 1995 CG PHE B 54 6.289 -3.191 -5.148 1.00 0.00 C ATOM 1996 CD1 PHE B 54 6.874 -4.221 -5.871 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.121 -3.459 -4.445 1.00 0.00 C ATOM 1998 CE1 PHE B 54 6.312 -5.481 -5.894 1.00 0.00 C ATOM 1999 CE2 PHE B 54 4.556 -4.720 -4.465 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.153 -5.732 -5.191 1.00 0.00 C ATOM 0 H PHE B 54 8.050 0.398 -5.429 1.00 0.00 H new ATOM 0 HA PHE B 54 8.920 -2.383 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE B 54 7.068 -1.529 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE B 54 6.163 -1.103 -5.518 1.00 0.00 H new ATOM 0 HD1 PHE B 54 7.783 -4.034 -6.424 1.00 0.00 H new ATOM 0 HD2 PHE B 54 4.649 -2.672 -3.876 1.00 0.00 H new ATOM 0 HE1 PHE B 54 6.780 -6.271 -6.463 1.00 0.00 H new ATOM 0 HE2 PHE B 54 3.648 -4.914 -3.913 1.00 0.00 H new ATOM 0 HZ PHE B 54 4.713 -6.718 -5.208 1.00 0.00 H new