USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 864 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 692 THR OG1 : rot 180:sc= 0.434 USER MOD Set 1.2: A 707 GLN : amide:sc= 0.4 K(o=0.76,f=-0.55) USER MOD Set 1.3: A 715 ASN : amide:sc= -0.0697 K(o=0.76,f=-1.1!) USER MOD Set 2.1: A 644 GLN : amide:sc= -0.328 X(o=-0.16,f=-0.65) USER MOD Set 2.2: A 679 TYR OH : rot 180:sc= 0.0849 USER MOD Set 2.3: A 714 TYR OH : rot -34:sc= 0.0828 USER MOD Set 3.1: A 587 THR OG1 : rot 129:sc= 1.24 USER MOD Set 3.2: A 598 GLN : amide:sc= -2.57! C(o=-1.3!,f=-0.0098!) USER MOD Single : A 591 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.39) USER MOD Single : A 593 THR OG1 : rot -71:sc= 0.54 USER MOD Single : A 597 SER OG : rot -25:sc= 0.00981 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 609 THR OG1 : rot -146:sc= 0.165 USER MOD Single : A 610 LYS NZ :NH3+ -167:sc= -0.0137 (180deg=-0.207) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 21:sc= 0.828 USER MOD Single : A 615 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0.814) USER MOD Single : A 618 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 620 LYS NZ :NH3+ 167:sc= -0.0255 (180deg=-0.224) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 1.17 K(o=1.2,f=-4.7!) USER MOD Single : A 626 ASN : amide:sc= 1.52 K(o=1.5,f=-6.6!) USER MOD Single : A 632 SER OG : rot 113:sc= 1.26 USER MOD Single : A 640 SER OG : rot -51:sc= 0.574 USER MOD Single : A 646 SER OG : rot 120:sc= 0.837 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 654 ASN : amide:sc= -0.314 K(o=-0.31,f=-8.6!) USER MOD Single : A 658 SER OG : rot -79:sc= 0.504 USER MOD Single : A 659 ASN : amide:sc= 1.34 K(o=1.3,f=-6.5!) USER MOD Single : A 661 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.05) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 113:sc= -0.0554 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 161:sc= -0.152 (180deg=-0.689) USER MOD Single : A 670 GLN : amide:sc= -1.28! C(o=-1.3!,f=-3.1!) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -142:sc= 1.29 USER MOD Single : A 677 THR OG1 : rot -150:sc= -1.37! USER MOD Single : A 680 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 681 ASN : amide:sc= 0.673 K(o=0.67,f=-10!) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot -160:sc= -0.231 USER MOD Single : A 706 TYR OH : rot 180:sc= 0 USER MOD Single : A 712 SER OG : rot 35:sc= 0.139 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 720 THR OG1 : rot 116:sc= 1.3 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 586 10.939 -10.434 10.874 1.00 60.51 N ATOM 115 CA ARG A 586 10.263 -9.831 9.782 1.00 0.40 C ATOM 116 C ARG A 586 11.017 -10.094 8.506 1.00 21.23 C ATOM 117 O ARG A 586 12.120 -9.574 8.291 1.00 70.34 O ATOM 118 CB ARG A 586 10.079 -8.330 10.023 1.00 31.24 C ATOM 119 CG ARG A 586 9.252 -7.634 8.954 1.00 1.43 C ATOM 120 CD ARG A 586 8.984 -6.169 9.280 1.00 74.23 C ATOM 121 NE ARG A 586 10.185 -5.329 9.254 1.00 30.41 N ATOM 122 CZ ARG A 586 10.185 -4.012 9.541 1.00 53.43 C ATOM 123 NH1 ARG A 586 9.054 -3.415 9.949 1.00 42.44 N ATOM 124 NH2 ARG A 586 11.309 -3.304 9.443 1.00 24.15 N ATOM 0 HA ARG A 586 9.270 -10.272 9.690 1.00 0.40 H new ATOM 0 HB2 ARG A 586 9.601 -8.183 10.992 1.00 31.24 H new ATOM 0 HB3 ARG A 586 11.060 -7.857 10.076 1.00 31.24 H new ATOM 0 HG2 ARG A 586 9.771 -7.700 7.998 1.00 1.43 H new ATOM 0 HG3 ARG A 586 8.302 -8.156 8.838 1.00 1.43 H new ATOM 0 HD2 ARG A 586 8.260 -5.774 8.567 1.00 74.23 H new ATOM 0 HD3 ARG A 586 8.527 -6.104 10.268 1.00 74.23 H new ATOM 0 HE ARG A 586 11.072 -5.766 9.004 1.00 30.41 H new ATOM 0 HH11 ARG A 586 8.196 -3.958 10.042 1.00 42.44 H new ATOM 0 HH12 ARG A 586 9.053 -2.418 10.166 1.00 42.44 H new ATOM 0 HH21 ARG A 586 12.174 -3.758 9.150 1.00 24.15 H new ATOM 0 HH22 ARG A 586 11.305 -2.308 9.661 1.00 24.15 H new ATOM 136 N THR A 587 10.427 -10.880 7.675 1.00 74.44 N ATOM 137 CA THR A 587 11.016 -11.249 6.438 1.00 73.40 C ATOM 138 C THR A 587 10.419 -10.378 5.347 1.00 35.12 C ATOM 139 O THR A 587 9.210 -10.134 5.339 1.00 1.11 O ATOM 140 CB THR A 587 10.698 -12.725 6.139 1.00 50.22 C ATOM 141 OG1 THR A 587 11.001 -13.514 7.301 1.00 73.22 O ATOM 142 CG2 THR A 587 11.537 -13.230 4.975 1.00 73.21 C ATOM 0 H THR A 587 9.508 -11.290 7.839 1.00 74.44 H new ATOM 0 HA THR A 587 12.097 -11.116 6.482 1.00 73.40 H new ATOM 0 HB THR A 587 9.643 -12.810 5.880 1.00 50.22 H new ATOM 0 HG1 THR A 587 10.233 -14.082 7.520 1.00 73.22 H new ATOM 0 HG21 THR A 587 11.297 -14.275 4.780 1.00 73.21 H new ATOM 0 HG22 THR A 587 11.322 -12.636 4.087 1.00 73.21 H new ATOM 0 HG23 THR A 587 12.595 -13.141 5.223 1.00 73.21 H new ATOM 148 N GLU A 588 11.238 -9.878 4.466 1.00 74.12 N ATOM 149 CA GLU A 588 10.743 -9.078 3.383 1.00 62.20 C ATOM 150 C GLU A 588 10.833 -9.825 2.083 1.00 50.14 C ATOM 151 O GLU A 588 11.669 -10.724 1.927 1.00 1.14 O ATOM 152 CB GLU A 588 11.460 -7.733 3.299 1.00 21.23 C ATOM 153 CG GLU A 588 12.955 -7.829 3.134 1.00 35.13 C ATOM 154 CD GLU A 588 13.605 -6.481 3.080 1.00 52.20 C ATOM 155 OE1 GLU A 588 13.828 -5.879 4.160 1.00 15.32 O ATOM 156 OE2 GLU A 588 13.939 -6.005 1.971 1.00 62.44 O ATOM 0 H GLU A 588 12.249 -10.010 4.476 1.00 74.12 H new ATOM 0 HA GLU A 588 9.692 -8.869 3.582 1.00 62.20 H new ATOM 0 HB2 GLU A 588 11.050 -7.169 2.461 1.00 21.23 H new ATOM 0 HB3 GLU A 588 11.243 -7.163 4.203 1.00 21.23 H new ATOM 0 HG2 GLU A 588 13.374 -8.400 3.962 1.00 35.13 H new ATOM 0 HG3 GLU A 588 13.184 -8.378 2.220 1.00 35.13 H new ATOM 163 N GLY A 589 9.955 -9.506 1.192 1.00 30.35 N ATOM 164 CA GLY A 589 9.960 -10.088 -0.109 1.00 5.32 C ATOM 165 C GLY A 589 9.984 -9.012 -1.146 1.00 2.41 C ATOM 166 O GLY A 589 9.853 -7.834 -0.817 1.00 44.14 O ATOM 0 H GLY A 589 9.208 -8.829 1.347 1.00 30.35 H new ATOM 0 HA2 GLY A 589 10.829 -10.736 -0.224 1.00 5.32 H new ATOM 0 HA3 GLY A 589 9.077 -10.713 -0.241 1.00 5.32 H new ATOM 170 N ASP A 590 10.127 -9.393 -2.379 1.00 62.00 N ATOM 171 CA ASP A 590 10.208 -8.434 -3.471 1.00 13.01 C ATOM 172 C ASP A 590 9.197 -8.752 -4.543 1.00 20.12 C ATOM 173 O ASP A 590 8.916 -9.919 -4.813 1.00 14.15 O ATOM 174 CB ASP A 590 11.630 -8.383 -4.069 1.00 75.31 C ATOM 175 CG ASP A 590 11.737 -7.453 -5.273 1.00 21.12 C ATOM 176 OD1 ASP A 590 11.720 -6.221 -5.098 1.00 52.31 O ATOM 177 OD2 ASP A 590 11.854 -7.943 -6.408 1.00 63.22 O ATOM 0 H ASP A 590 10.192 -10.369 -2.670 1.00 62.00 H new ATOM 0 HA ASP A 590 9.979 -7.450 -3.061 1.00 13.01 H new ATOM 0 HB2 ASP A 590 12.330 -8.055 -3.300 1.00 75.31 H new ATOM 0 HB3 ASP A 590 11.930 -9.388 -4.365 1.00 75.31 H new ATOM 182 N ASN A 591 8.644 -7.706 -5.123 1.00 70.31 N ATOM 183 CA ASN A 591 7.660 -7.779 -6.209 1.00 31.01 C ATOM 184 C ASN A 591 6.305 -8.299 -5.731 1.00 42.33 C ATOM 185 O ASN A 591 5.930 -9.456 -5.982 1.00 62.34 O ATOM 186 CB ASN A 591 8.182 -8.558 -7.447 1.00 44.42 C ATOM 187 CG ASN A 591 7.192 -8.599 -8.607 1.00 11.04 C ATOM 188 OD1 ASN A 591 6.393 -7.679 -8.801 1.00 2.43 O ATOM 189 ND2 ASN A 591 7.238 -9.662 -9.381 1.00 51.23 N ATOM 0 H ASN A 591 8.867 -6.749 -4.851 1.00 70.31 H new ATOM 0 HA ASN A 591 7.505 -6.752 -6.541 1.00 31.01 H new ATOM 0 HB2 ASN A 591 9.110 -8.100 -7.789 1.00 44.42 H new ATOM 0 HB3 ASN A 591 8.421 -9.579 -7.149 1.00 44.42 H new ATOM 0 HD21 ASN A 591 6.599 -9.745 -10.172 1.00 51.23 H new ATOM 0 HD22 ASN A 591 7.912 -10.403 -9.190 1.00 51.23 H new ATOM 195 N CYS A 592 5.628 -7.456 -4.934 1.00 34.54 N ATOM 196 CA CYS A 592 4.253 -7.694 -4.461 1.00 23.54 C ATOM 197 C CYS A 592 4.098 -8.982 -3.675 1.00 74.15 C ATOM 198 O CYS A 592 2.980 -9.475 -3.503 1.00 20.42 O ATOM 199 CB CYS A 592 3.293 -7.686 -5.647 1.00 20.11 C ATOM 200 SG CYS A 592 3.195 -6.093 -6.499 1.00 43.01 S ATOM 0 H CYS A 592 6.024 -6.579 -4.596 1.00 34.54 H new ATOM 0 HA CYS A 592 4.013 -6.884 -3.772 1.00 23.54 H new ATOM 0 HB2 CYS A 592 3.605 -8.450 -6.360 1.00 20.11 H new ATOM 0 HB3 CYS A 592 2.298 -7.963 -5.298 1.00 20.11 H new ATOM 205 N THR A 593 5.178 -9.492 -3.129 1.00 2.33 N ATOM 206 CA THR A 593 5.130 -10.762 -2.471 1.00 41.04 C ATOM 207 C THR A 593 6.052 -10.791 -1.280 1.00 70.52 C ATOM 208 O THR A 593 6.968 -9.975 -1.172 1.00 33.33 O ATOM 209 CB THR A 593 5.484 -11.935 -3.441 1.00 61.22 C ATOM 210 OG1 THR A 593 6.699 -11.644 -4.137 1.00 11.11 O ATOM 211 CG2 THR A 593 4.382 -12.207 -4.452 1.00 10.10 C ATOM 0 H THR A 593 6.094 -9.043 -3.131 1.00 2.33 H new ATOM 0 HA THR A 593 4.104 -10.900 -2.130 1.00 41.04 H new ATOM 0 HB THR A 593 5.602 -12.829 -2.829 1.00 61.22 H new ATOM 0 HG1 THR A 593 6.539 -10.933 -4.792 1.00 11.11 H new ATOM 0 HG21 THR A 593 4.679 -13.031 -5.101 1.00 10.10 H new ATOM 0 HG22 THR A 593 3.464 -12.471 -3.927 1.00 10.10 H new ATOM 0 HG23 THR A 593 4.212 -11.314 -5.054 1.00 10.10 H new ATOM 217 N VAL A 594 5.779 -11.702 -0.390 1.00 53.11 N ATOM 218 CA VAL A 594 6.585 -11.945 0.773 1.00 34.41 C ATOM 219 C VAL A 594 6.434 -13.387 1.203 1.00 43.12 C ATOM 220 O VAL A 594 5.317 -13.908 1.279 1.00 40.13 O ATOM 221 CB VAL A 594 6.268 -10.967 1.950 1.00 44.13 C ATOM 222 CG1 VAL A 594 4.772 -10.926 2.263 1.00 40.52 C ATOM 223 CG2 VAL A 594 7.047 -11.369 3.194 1.00 34.12 C ATOM 0 H VAL A 594 4.966 -12.314 -0.455 1.00 53.11 H new ATOM 0 HA VAL A 594 7.623 -11.755 0.500 1.00 34.41 H new ATOM 0 HB VAL A 594 6.573 -9.968 1.639 1.00 44.13 H new ATOM 0 HG11 VAL A 594 4.591 -10.235 3.087 1.00 40.52 H new ATOM 0 HG12 VAL A 594 4.225 -10.591 1.382 1.00 40.52 H new ATOM 0 HG13 VAL A 594 4.432 -11.923 2.544 1.00 40.52 H new ATOM 0 HG21 VAL A 594 6.817 -10.679 4.006 1.00 34.12 H new ATOM 0 HG22 VAL A 594 6.768 -12.381 3.487 1.00 34.12 H new ATOM 0 HG23 VAL A 594 8.115 -11.335 2.981 1.00 34.12 H new ATOM 229 N PHE A 595 7.540 -14.041 1.425 1.00 55.32 N ATOM 230 CA PHE A 595 7.520 -15.403 1.845 1.00 43.41 C ATOM 231 C PHE A 595 8.511 -15.643 2.973 1.00 12.45 C ATOM 232 O PHE A 595 9.577 -15.022 3.017 1.00 65.21 O ATOM 233 CB PHE A 595 7.795 -16.355 0.647 1.00 74.24 C ATOM 234 CG PHE A 595 9.130 -16.158 -0.029 1.00 71.43 C ATOM 235 CD1 PHE A 595 9.283 -15.221 -1.039 1.00 12.41 C ATOM 236 CD2 PHE A 595 10.229 -16.915 0.345 1.00 53.22 C ATOM 237 CE1 PHE A 595 10.504 -15.042 -1.656 1.00 0.05 C ATOM 238 CE2 PHE A 595 11.449 -16.739 -0.270 1.00 22.21 C ATOM 239 CZ PHE A 595 11.588 -15.802 -1.271 1.00 52.10 C ATOM 0 H PHE A 595 8.473 -13.642 1.319 1.00 55.32 H new ATOM 0 HA PHE A 595 6.523 -15.622 2.228 1.00 43.41 H new ATOM 0 HB2 PHE A 595 7.731 -17.385 0.998 1.00 74.24 H new ATOM 0 HB3 PHE A 595 7.006 -16.221 -0.093 1.00 74.24 H new ATOM 0 HD1 PHE A 595 8.437 -14.624 -1.346 1.00 12.41 H new ATOM 0 HD2 PHE A 595 10.128 -17.652 1.128 1.00 53.22 H new ATOM 0 HE1 PHE A 595 10.611 -14.307 -2.440 1.00 0.05 H new ATOM 0 HE2 PHE A 595 12.297 -17.336 0.032 1.00 22.21 H new ATOM 0 HZ PHE A 595 12.544 -15.663 -1.753 1.00 52.10 H new ATOM 249 N ASP A 596 8.142 -16.503 3.883 1.00 63.52 N ATOM 250 CA ASP A 596 9.035 -16.953 4.931 1.00 24.35 C ATOM 251 C ASP A 596 9.439 -18.334 4.547 1.00 4.32 C ATOM 252 O ASP A 596 8.609 -19.248 4.533 1.00 62.22 O ATOM 253 CB ASP A 596 8.306 -17.015 6.303 1.00 63.31 C ATOM 254 CG ASP A 596 7.840 -15.692 6.831 1.00 1.41 C ATOM 255 OD1 ASP A 596 8.669 -14.936 7.423 1.00 3.32 O ATOM 256 OD2 ASP A 596 6.639 -15.417 6.724 1.00 15.11 O ATOM 0 H ASP A 596 7.211 -16.917 3.924 1.00 63.52 H new ATOM 0 HA ASP A 596 9.880 -16.272 5.034 1.00 24.35 H new ATOM 0 HB2 ASP A 596 7.445 -17.677 6.211 1.00 63.31 H new ATOM 0 HB3 ASP A 596 8.977 -17.466 7.034 1.00 63.31 H new ATOM 261 N SER A 597 10.690 -18.502 4.237 1.00 24.23 N ATOM 262 CA SER A 597 11.221 -19.788 3.843 1.00 24.51 C ATOM 263 C SER A 597 11.243 -20.744 5.028 1.00 72.20 C ATOM 264 O SER A 597 11.219 -21.958 4.866 1.00 60.42 O ATOM 265 CB SER A 597 12.619 -19.607 3.271 1.00 14.55 C ATOM 266 OG SER A 597 12.607 -18.649 2.225 1.00 21.20 O ATOM 0 H SER A 597 11.381 -17.751 4.248 1.00 24.23 H new ATOM 0 HA SER A 597 10.578 -20.220 3.077 1.00 24.51 H new ATOM 0 HB2 SER A 597 13.302 -19.287 4.058 1.00 14.55 H new ATOM 0 HB3 SER A 597 12.991 -20.560 2.895 1.00 14.55 H new ATOM 0 HG SER A 597 11.711 -18.607 1.830 1.00 21.20 H new ATOM 272 N GLN A 598 11.251 -20.169 6.219 1.00 54.23 N ATOM 273 CA GLN A 598 11.332 -20.922 7.444 1.00 33.12 C ATOM 274 C GLN A 598 10.048 -21.715 7.636 1.00 44.13 C ATOM 275 O GLN A 598 10.066 -22.887 8.010 1.00 74.23 O ATOM 276 CB GLN A 598 11.519 -19.995 8.668 1.00 35.44 C ATOM 277 CG GLN A 598 12.656 -18.949 8.606 1.00 33.11 C ATOM 278 CD GLN A 598 12.353 -17.739 7.705 1.00 32.40 C ATOM 279 OE1 GLN A 598 11.790 -16.768 8.150 1.00 71.24 O ATOM 280 NE2 GLN A 598 12.748 -17.783 6.457 1.00 10.52 N ATOM 0 H GLN A 598 11.201 -19.160 6.356 1.00 54.23 H new ATOM 0 HA GLN A 598 12.193 -21.586 7.370 1.00 33.12 H new ATOM 0 HB2 GLN A 598 10.582 -19.463 8.833 1.00 35.44 H new ATOM 0 HB3 GLN A 598 11.688 -20.623 9.543 1.00 35.44 H new ATOM 0 HG2 GLN A 598 12.862 -18.593 9.615 1.00 33.11 H new ATOM 0 HG3 GLN A 598 13.563 -19.436 8.248 1.00 33.11 H new ATOM 0 HE21 GLN A 598 13.222 -18.613 6.101 1.00 10.52 H new ATOM 0 HE22 GLN A 598 12.582 -16.987 5.841 1.00 10.52 H new ATOM 288 N ALA A 599 8.941 -21.061 7.374 1.00 14.32 N ATOM 289 CA ALA A 599 7.636 -21.658 7.545 1.00 5.41 C ATOM 290 C ALA A 599 7.074 -22.181 6.226 1.00 1.14 C ATOM 291 O ALA A 599 6.044 -22.852 6.209 1.00 23.10 O ATOM 292 CB ALA A 599 6.686 -20.636 8.142 1.00 73.12 C ATOM 0 H ALA A 599 8.919 -20.099 7.036 1.00 14.32 H new ATOM 0 HA ALA A 599 7.740 -22.508 8.219 1.00 5.41 H new ATOM 0 HB1 ALA A 599 5.702 -21.086 8.271 1.00 73.12 H new ATOM 0 HB2 ALA A 599 7.065 -20.309 9.110 1.00 73.12 H new ATOM 0 HB3 ALA A 599 6.608 -19.778 7.474 1.00 73.12 H new ATOM 298 N GLY A 600 7.743 -21.863 5.123 1.00 3.41 N ATOM 299 CA GLY A 600 7.227 -22.221 3.807 1.00 54.34 C ATOM 300 C GLY A 600 5.921 -21.496 3.557 1.00 51.22 C ATOM 301 O GLY A 600 4.957 -22.058 3.015 1.00 14.31 O ATOM 0 H GLY A 600 8.633 -21.364 5.113 1.00 3.41 H new ATOM 0 HA2 GLY A 600 7.953 -21.959 3.037 1.00 54.34 H new ATOM 0 HA3 GLY A 600 7.073 -23.298 3.747 1.00 54.34 H new ATOM 305 N PHE A 601 5.895 -20.255 3.964 1.00 42.42 N ATOM 306 CA PHE A 601 4.704 -19.451 3.940 1.00 21.20 C ATOM 307 C PHE A 601 4.866 -18.334 2.933 1.00 3.42 C ATOM 308 O PHE A 601 5.942 -17.775 2.827 1.00 3.13 O ATOM 309 CB PHE A 601 4.533 -18.866 5.340 1.00 21.24 C ATOM 310 CG PHE A 601 3.302 -18.068 5.545 1.00 64.05 C ATOM 311 CD1 PHE A 601 2.144 -18.688 5.968 1.00 22.04 C ATOM 312 CD2 PHE A 601 3.296 -16.697 5.329 1.00 2.24 C ATOM 313 CE1 PHE A 601 1.001 -17.968 6.171 1.00 13.13 C ATOM 314 CE2 PHE A 601 2.154 -15.983 5.532 1.00 22.13 C ATOM 315 CZ PHE A 601 1.003 -16.616 5.954 1.00 0.35 C ATOM 0 H PHE A 601 6.714 -19.767 4.327 1.00 42.42 H new ATOM 0 HA PHE A 601 3.834 -20.044 3.657 1.00 21.20 H new ATOM 0 HB2 PHE A 601 4.541 -19.683 6.061 1.00 21.24 H new ATOM 0 HB3 PHE A 601 5.395 -18.237 5.561 1.00 21.24 H new ATOM 0 HD1 PHE A 601 2.141 -19.754 6.140 1.00 22.04 H new ATOM 0 HD2 PHE A 601 4.195 -16.197 5.001 1.00 2.24 H new ATOM 0 HE1 PHE A 601 0.100 -18.463 6.501 1.00 13.13 H new ATOM 0 HE2 PHE A 601 2.149 -14.916 5.362 1.00 22.13 H new ATOM 0 HZ PHE A 601 0.101 -16.044 6.114 1.00 0.35 H new ATOM 325 N SER A 602 3.815 -18.008 2.205 1.00 33.10 N ATOM 326 CA SER A 602 3.889 -16.946 1.230 1.00 1.24 C ATOM 327 C SER A 602 2.596 -16.101 1.158 1.00 63.33 C ATOM 328 O SER A 602 1.493 -16.610 1.376 1.00 54.43 O ATOM 329 CB SER A 602 4.247 -17.529 -0.142 1.00 44.43 C ATOM 330 OG SER A 602 3.320 -18.538 -0.539 1.00 62.33 O ATOM 0 H SER A 602 2.905 -18.463 2.272 1.00 33.10 H new ATOM 0 HA SER A 602 4.675 -16.262 1.550 1.00 1.24 H new ATOM 0 HB2 SER A 602 4.259 -16.732 -0.885 1.00 44.43 H new ATOM 0 HB3 SER A 602 5.252 -17.949 -0.109 1.00 44.43 H new ATOM 0 HG SER A 602 3.575 -18.888 -1.418 1.00 62.33 H new ATOM 336 N PHE A 603 2.764 -14.818 0.888 1.00 43.34 N ATOM 337 CA PHE A 603 1.668 -13.900 0.588 1.00 21.24 C ATOM 338 C PHE A 603 1.963 -13.127 -0.670 1.00 33.32 C ATOM 339 O PHE A 603 3.118 -12.730 -0.915 1.00 63.23 O ATOM 340 CB PHE A 603 1.382 -12.877 1.699 1.00 54.21 C ATOM 341 CG PHE A 603 0.474 -13.320 2.805 1.00 2.43 C ATOM 342 CD1 PHE A 603 -0.779 -13.835 2.515 1.00 74.22 C ATOM 343 CD2 PHE A 603 0.843 -13.183 4.124 1.00 70.00 C ATOM 344 CE1 PHE A 603 -1.637 -14.214 3.519 1.00 43.24 C ATOM 345 CE2 PHE A 603 -0.016 -13.552 5.136 1.00 30.12 C ATOM 346 CZ PHE A 603 -1.256 -14.069 4.832 1.00 72.12 C ATOM 0 H PHE A 603 3.681 -14.372 0.870 1.00 43.34 H new ATOM 0 HA PHE A 603 0.789 -14.536 0.481 1.00 21.24 H new ATOM 0 HB2 PHE A 603 2.333 -12.578 2.139 1.00 54.21 H new ATOM 0 HB3 PHE A 603 0.950 -11.988 1.240 1.00 54.21 H new ATOM 0 HD1 PHE A 603 -1.086 -13.940 1.485 1.00 74.22 H new ATOM 0 HD2 PHE A 603 1.816 -12.782 4.368 1.00 70.00 H new ATOM 0 HE1 PHE A 603 -2.607 -14.624 3.278 1.00 43.24 H new ATOM 0 HE2 PHE A 603 0.283 -13.436 6.167 1.00 30.12 H new ATOM 0 HZ PHE A 603 -1.929 -14.360 5.625 1.00 72.12 H new ATOM 356 N ASP A 604 0.946 -12.929 -1.465 1.00 31.41 N ATOM 357 CA ASP A 604 1.037 -12.105 -2.641 1.00 43.24 C ATOM 358 C ASP A 604 -0.071 -11.075 -2.577 1.00 1.44 C ATOM 359 O ASP A 604 -1.233 -11.408 -2.341 1.00 4.14 O ATOM 360 CB ASP A 604 0.960 -12.923 -3.957 1.00 32.42 C ATOM 361 CG ASP A 604 -0.384 -13.560 -4.226 1.00 2.01 C ATOM 362 OD1 ASP A 604 -0.678 -14.627 -3.657 1.00 30.40 O ATOM 363 OD2 ASP A 604 -1.167 -13.001 -5.030 1.00 34.41 O ATOM 0 H ASP A 604 0.024 -13.338 -1.314 1.00 31.41 H new ATOM 0 HA ASP A 604 2.013 -11.620 -2.654 1.00 43.24 H new ATOM 0 HB2 ASP A 604 1.210 -12.268 -4.791 1.00 32.42 H new ATOM 0 HB3 ASP A 604 1.718 -13.705 -3.928 1.00 32.42 H new ATOM 368 N LEU A 605 0.281 -9.834 -2.746 1.00 60.14 N ATOM 369 CA LEU A 605 -0.692 -8.762 -2.665 1.00 43.14 C ATOM 370 C LEU A 605 -0.813 -8.064 -3.999 1.00 21.44 C ATOM 371 O LEU A 605 -1.341 -6.961 -4.094 1.00 52.32 O ATOM 372 CB LEU A 605 -0.314 -7.769 -1.559 1.00 41.31 C ATOM 373 CG LEU A 605 -0.258 -8.333 -0.128 1.00 54.24 C ATOM 374 CD1 LEU A 605 0.135 -7.252 0.853 1.00 43.14 C ATOM 375 CD2 LEU A 605 -1.597 -8.948 0.271 1.00 54.32 C ATOM 0 H LEU A 605 1.235 -9.530 -2.942 1.00 60.14 H new ATOM 0 HA LEU A 605 -1.662 -9.191 -2.413 1.00 43.14 H new ATOM 0 HB2 LEU A 605 0.661 -7.345 -1.798 1.00 41.31 H new ATOM 0 HB3 LEU A 605 -1.031 -6.948 -1.576 1.00 41.31 H new ATOM 0 HG LEU A 605 0.498 -9.118 -0.106 1.00 54.24 H new ATOM 0 HD11 LEU A 605 0.169 -7.669 1.859 1.00 43.14 H new ATOM 0 HD12 LEU A 605 1.117 -6.860 0.589 1.00 43.14 H new ATOM 0 HD13 LEU A 605 -0.598 -6.446 0.819 1.00 43.14 H new ATOM 0 HD21 LEU A 605 -1.530 -9.339 1.286 1.00 54.32 H new ATOM 0 HD22 LEU A 605 -2.375 -8.186 0.226 1.00 54.32 H new ATOM 0 HD23 LEU A 605 -1.844 -9.759 -0.414 1.00 54.32 H new ATOM 383 N THR A 606 -0.369 -8.752 -5.031 1.00 13.31 N ATOM 384 CA THR A 606 -0.386 -8.276 -6.390 1.00 74.12 C ATOM 385 C THR A 606 -1.804 -7.764 -6.847 1.00 41.25 C ATOM 386 O THR A 606 -1.890 -6.714 -7.493 1.00 43.21 O ATOM 387 CB THR A 606 0.095 -9.392 -7.316 1.00 53.14 C ATOM 388 OG1 THR A 606 1.239 -10.017 -6.711 1.00 31.10 O ATOM 389 CG2 THR A 606 0.519 -8.815 -8.646 1.00 64.01 C ATOM 0 H THR A 606 0.026 -9.688 -4.939 1.00 13.31 H new ATOM 0 HA THR A 606 0.283 -7.417 -6.445 1.00 74.12 H new ATOM 0 HB THR A 606 -0.711 -10.109 -7.471 1.00 53.14 H new ATOM 0 HG1 THR A 606 1.562 -10.738 -7.290 1.00 31.10 H new ATOM 0 HG21 THR A 606 0.860 -9.618 -9.299 1.00 64.01 H new ATOM 0 HG22 THR A 606 -0.327 -8.306 -9.108 1.00 64.01 H new ATOM 0 HG23 THR A 606 1.330 -8.103 -8.492 1.00 64.01 H new ATOM 395 N PRO A 607 -2.948 -8.492 -6.530 1.00 53.12 N ATOM 396 CA PRO A 607 -4.308 -8.012 -6.876 1.00 14.34 C ATOM 397 C PRO A 607 -4.643 -6.653 -6.239 1.00 54.33 C ATOM 398 O PRO A 607 -5.521 -5.939 -6.714 1.00 53.51 O ATOM 399 CB PRO A 607 -5.234 -9.095 -6.306 1.00 64.44 C ATOM 400 CG PRO A 607 -4.392 -10.312 -6.241 1.00 41.11 C ATOM 401 CD PRO A 607 -3.016 -9.833 -5.886 1.00 1.42 C ATOM 0 HA PRO A 607 -4.409 -7.858 -7.950 1.00 14.34 H new ATOM 0 HB2 PRO A 607 -5.607 -8.818 -5.320 1.00 64.44 H new ATOM 0 HB3 PRO A 607 -6.104 -9.249 -6.945 1.00 64.44 H new ATOM 0 HG2 PRO A 607 -4.769 -11.010 -5.493 1.00 41.11 H new ATOM 0 HG3 PRO A 607 -4.390 -10.838 -7.196 1.00 41.11 H new ATOM 0 HD2 PRO A 607 -2.877 -9.769 -4.807 1.00 1.42 H new ATOM 0 HD3 PRO A 607 -2.245 -10.503 -6.267 1.00 1.42 H new ATOM 409 N LEU A 608 -3.934 -6.292 -5.178 1.00 51.11 N ATOM 410 CA LEU A 608 -4.175 -5.041 -4.515 1.00 54.42 C ATOM 411 C LEU A 608 -3.444 -3.899 -5.221 1.00 63.11 C ATOM 412 O LEU A 608 -3.850 -2.760 -5.120 1.00 13.11 O ATOM 413 CB LEU A 608 -3.754 -5.066 -3.028 1.00 65.35 C ATOM 414 CG LEU A 608 -4.518 -5.955 -2.026 1.00 13.04 C ATOM 415 CD1 LEU A 608 -4.303 -7.420 -2.276 1.00 4.43 C ATOM 416 CD2 LEU A 608 -4.110 -5.608 -0.608 1.00 35.15 C ATOM 0 H LEU A 608 -3.190 -6.855 -4.767 1.00 51.11 H new ATOM 0 HA LEU A 608 -5.252 -4.877 -4.560 1.00 54.42 H new ATOM 0 HB2 LEU A 608 -2.706 -5.364 -2.993 1.00 65.35 H new ATOM 0 HB3 LEU A 608 -3.807 -4.042 -2.659 1.00 65.35 H new ATOM 0 HG LEU A 608 -5.581 -5.756 -2.166 1.00 13.04 H new ATOM 0 HD11 LEU A 608 -4.863 -8.000 -1.543 1.00 4.43 H new ATOM 0 HD12 LEU A 608 -4.648 -7.672 -3.279 1.00 4.43 H new ATOM 0 HD13 LEU A 608 -3.242 -7.652 -2.188 1.00 4.43 H new ATOM 0 HD21 LEU A 608 -4.655 -6.241 0.093 1.00 35.15 H new ATOM 0 HD22 LEU A 608 -3.039 -5.771 -0.487 1.00 35.15 H new ATOM 0 HD23 LEU A 608 -4.342 -4.562 -0.408 1.00 35.15 H new ATOM 424 N THR A 609 -2.376 -4.214 -5.919 1.00 5.22 N ATOM 425 CA THR A 609 -1.578 -3.216 -6.609 1.00 21.40 C ATOM 426 C THR A 609 -2.367 -2.605 -7.788 1.00 51.23 C ATOM 427 O THR A 609 -2.929 -3.330 -8.611 1.00 3.03 O ATOM 428 CB THR A 609 -0.276 -3.869 -7.132 1.00 24.43 C ATOM 429 OG1 THR A 609 0.381 -4.532 -6.040 1.00 51.00 O ATOM 430 CG2 THR A 609 0.663 -2.819 -7.720 1.00 14.42 C ATOM 0 H THR A 609 -2.033 -5.169 -6.027 1.00 5.22 H new ATOM 0 HA THR A 609 -1.333 -2.418 -5.909 1.00 21.40 H new ATOM 0 HB THR A 609 -0.530 -4.582 -7.916 1.00 24.43 H new ATOM 0 HG1 THR A 609 1.352 -4.477 -6.160 1.00 51.00 H new ATOM 0 HG21 THR A 609 1.570 -3.303 -8.080 1.00 14.42 H new ATOM 0 HG22 THR A 609 0.169 -2.312 -8.549 1.00 14.42 H new ATOM 0 HG23 THR A 609 0.921 -2.091 -6.951 1.00 14.42 H new ATOM 436 N LYS A 610 -2.429 -1.284 -7.849 1.00 13.14 N ATOM 437 CA LYS A 610 -3.119 -0.598 -8.932 1.00 41.40 C ATOM 438 C LYS A 610 -2.156 0.301 -9.652 1.00 72.13 C ATOM 439 O LYS A 610 -1.172 0.732 -9.072 1.00 63.25 O ATOM 440 CB LYS A 610 -4.269 0.267 -8.417 1.00 11.14 C ATOM 441 CG LYS A 610 -5.378 -0.483 -7.697 1.00 32.41 C ATOM 442 CD LYS A 610 -6.541 0.449 -7.375 1.00 61.10 C ATOM 443 CE LYS A 610 -7.731 -0.301 -6.778 1.00 24.51 C ATOM 444 NZ LYS A 610 -8.302 -1.304 -7.710 1.00 61.44 N ATOM 0 H LYS A 610 -2.008 -0.663 -7.158 1.00 13.14 H new ATOM 0 HA LYS A 610 -3.520 -1.364 -9.596 1.00 41.40 H new ATOM 0 HB2 LYS A 610 -3.862 1.017 -7.739 1.00 11.14 H new ATOM 0 HB3 LYS A 610 -4.704 0.803 -9.261 1.00 11.14 H new ATOM 0 HG2 LYS A 610 -5.728 -1.308 -8.318 1.00 32.41 H new ATOM 0 HG3 LYS A 610 -4.990 -0.919 -6.777 1.00 32.41 H new ATOM 0 HD2 LYS A 610 -6.208 1.215 -6.675 1.00 61.10 H new ATOM 0 HD3 LYS A 610 -6.856 0.963 -8.284 1.00 61.10 H new ATOM 0 HE2 LYS A 610 -7.418 -0.800 -5.861 1.00 24.51 H new ATOM 0 HE3 LYS A 610 -8.505 0.415 -6.502 1.00 24.51 H new ATOM 0 HZ1 LYS A 610 -9.225 -1.624 -7.353 1.00 61.44 H new ATOM 0 HZ2 LYS A 610 -8.424 -0.875 -8.650 1.00 61.44 H new ATOM 0 HZ3 LYS A 610 -7.658 -2.117 -7.782 1.00 61.44 H new ATOM 458 N LYS A 611 -2.416 0.585 -10.903 1.00 42.02 N ATOM 459 CA LYS A 611 -1.577 1.519 -11.620 1.00 32.15 C ATOM 460 C LYS A 611 -1.910 2.946 -11.190 1.00 22.24 C ATOM 461 O LYS A 611 -1.039 3.791 -11.093 1.00 21.43 O ATOM 462 CB LYS A 611 -1.710 1.386 -13.147 1.00 1.44 C ATOM 463 CG LYS A 611 -3.077 1.735 -13.697 1.00 22.14 C ATOM 464 CD LYS A 611 -3.072 1.733 -15.199 1.00 12.24 C ATOM 465 CE LYS A 611 -4.407 2.182 -15.753 1.00 63.24 C ATOM 466 NZ LYS A 611 -4.396 2.229 -17.229 1.00 13.05 N ATOM 0 H LYS A 611 -3.188 0.192 -11.441 1.00 42.02 H new ATOM 0 HA LYS A 611 -0.543 1.283 -11.369 1.00 32.15 H new ATOM 0 HB2 LYS A 611 -0.968 2.030 -13.620 1.00 1.44 H new ATOM 0 HB3 LYS A 611 -1.470 0.361 -13.431 1.00 1.44 H new ATOM 0 HG2 LYS A 611 -3.813 1.019 -13.332 1.00 22.14 H new ATOM 0 HG3 LYS A 611 -3.379 2.717 -13.333 1.00 22.14 H new ATOM 0 HD2 LYS A 611 -2.284 2.392 -15.563 1.00 12.24 H new ATOM 0 HD3 LYS A 611 -2.843 0.731 -15.563 1.00 12.24 H new ATOM 0 HE2 LYS A 611 -5.189 1.501 -15.416 1.00 63.24 H new ATOM 0 HE3 LYS A 611 -4.652 3.168 -15.359 1.00 63.24 H new ATOM 0 HZ1 LYS A 611 -5.327 2.541 -17.573 1.00 13.05 H new ATOM 0 HZ2 LYS A 611 -3.667 2.897 -17.550 1.00 13.05 H new ATOM 0 HZ3 LYS A 611 -4.187 1.282 -17.605 1.00 13.05 H new ATOM 480 N ASP A 612 -3.188 3.180 -10.894 1.00 74.22 N ATOM 481 CA ASP A 612 -3.689 4.518 -10.549 1.00 2.24 C ATOM 482 C ASP A 612 -3.490 4.790 -9.067 1.00 21.41 C ATOM 483 O ASP A 612 -3.577 5.937 -8.604 1.00 50.51 O ATOM 484 CB ASP A 612 -5.175 4.635 -10.944 1.00 64.21 C ATOM 485 CG ASP A 612 -5.783 5.999 -10.673 1.00 61.10 C ATOM 486 OD1 ASP A 612 -5.452 6.962 -11.401 1.00 31.11 O ATOM 487 OD2 ASP A 612 -6.613 6.129 -9.735 1.00 61.33 O ATOM 0 H ASP A 612 -3.905 2.455 -10.885 1.00 74.22 H new ATOM 0 HA ASP A 612 -3.126 5.269 -11.103 1.00 2.24 H new ATOM 0 HB2 ASP A 612 -5.277 4.408 -12.005 1.00 64.21 H new ATOM 0 HB3 ASP A 612 -5.745 3.881 -10.401 1.00 64.21 H new ATOM 492 N ALA A 613 -3.190 3.714 -8.344 1.00 24.34 N ATOM 493 CA ALA A 613 -2.924 3.726 -6.912 1.00 10.42 C ATOM 494 C ALA A 613 -4.164 4.042 -6.070 1.00 13.52 C ATOM 495 O ALA A 613 -5.262 4.237 -6.584 1.00 54.35 O ATOM 496 CB ALA A 613 -1.764 4.659 -6.564 1.00 70.40 C ATOM 0 H ALA A 613 -3.124 2.782 -8.753 1.00 24.34 H new ATOM 0 HA ALA A 613 -2.630 2.709 -6.653 1.00 10.42 H new ATOM 0 HB1 ALA A 613 -1.594 4.642 -5.487 1.00 70.40 H new ATOM 0 HB2 ALA A 613 -0.863 4.326 -7.079 1.00 70.40 H new ATOM 0 HB3 ALA A 613 -2.007 5.674 -6.877 1.00 70.40 H new ATOM 502 N TYR A 614 -3.963 4.038 -4.791 1.00 41.22 N ATOM 503 CA TYR A 614 -4.995 4.307 -3.792 1.00 3.32 C ATOM 504 C TYR A 614 -4.867 5.693 -3.230 1.00 72.42 C ATOM 505 O TYR A 614 -3.766 6.246 -3.163 1.00 31.40 O ATOM 506 CB TYR A 614 -4.905 3.302 -2.649 1.00 72.24 C ATOM 507 CG TYR A 614 -5.265 1.914 -3.050 1.00 12.13 C ATOM 508 CD1 TYR A 614 -4.421 1.167 -3.837 1.00 41.53 C ATOM 509 CD2 TYR A 614 -6.461 1.349 -2.648 1.00 74.05 C ATOM 510 CE1 TYR A 614 -4.748 -0.093 -4.217 1.00 12.44 C ATOM 511 CE2 TYR A 614 -6.799 0.077 -3.021 1.00 25.13 C ATOM 512 CZ TYR A 614 -5.945 -0.644 -3.807 1.00 31.34 C ATOM 513 OH TYR A 614 -6.282 -1.920 -4.193 1.00 52.44 O ATOM 0 H TYR A 614 -3.050 3.843 -4.380 1.00 41.22 H new ATOM 0 HA TYR A 614 -5.960 4.216 -4.291 1.00 3.32 H new ATOM 0 HB2 TYR A 614 -3.890 3.305 -2.252 1.00 72.24 H new ATOM 0 HB3 TYR A 614 -5.564 3.621 -1.842 1.00 72.24 H new ATOM 0 HD1 TYR A 614 -3.481 1.591 -4.158 1.00 41.53 H new ATOM 0 HD2 TYR A 614 -7.138 1.920 -2.030 1.00 74.05 H new ATOM 0 HE1 TYR A 614 -4.074 -0.664 -4.839 1.00 12.44 H new ATOM 0 HE2 TYR A 614 -7.734 -0.354 -2.696 1.00 25.13 H new ATOM 0 HH TYR A 614 -5.472 -2.408 -4.451 1.00 52.44 H new ATOM 523 N LYS A 615 -5.977 6.256 -2.836 1.00 74.44 N ATOM 524 CA LYS A 615 -5.986 7.552 -2.244 1.00 13.35 C ATOM 525 C LYS A 615 -6.667 7.514 -0.887 1.00 52.53 C ATOM 526 O LYS A 615 -7.768 7.024 -0.755 1.00 54.01 O ATOM 527 CB LYS A 615 -6.584 8.591 -3.218 1.00 1.54 C ATOM 528 CG LYS A 615 -8.013 8.325 -3.703 1.00 35.52 C ATOM 529 CD LYS A 615 -9.109 8.950 -2.822 1.00 52.02 C ATOM 530 CE LYS A 615 -8.971 10.469 -2.746 1.00 50.20 C ATOM 531 NZ LYS A 615 -10.158 11.106 -2.143 1.00 22.22 N ATOM 0 H LYS A 615 -6.897 5.823 -2.919 1.00 74.44 H new ATOM 0 HA LYS A 615 -4.962 7.875 -2.056 1.00 13.35 H new ATOM 0 HB2 LYS A 615 -6.564 9.566 -2.732 1.00 1.54 H new ATOM 0 HB3 LYS A 615 -5.933 8.656 -4.090 1.00 1.54 H new ATOM 0 HG2 LYS A 615 -8.117 8.709 -4.718 1.00 35.52 H new ATOM 0 HG3 LYS A 615 -8.173 7.248 -3.752 1.00 35.52 H new ATOM 0 HD2 LYS A 615 -10.089 8.693 -3.223 1.00 52.02 H new ATOM 0 HD3 LYS A 615 -9.054 8.528 -1.818 1.00 52.02 H new ATOM 0 HE2 LYS A 615 -8.087 10.723 -2.161 1.00 50.20 H new ATOM 0 HE3 LYS A 615 -8.816 10.869 -3.748 1.00 50.20 H new ATOM 0 HZ1 LYS A 615 -9.956 12.109 -1.956 1.00 22.22 H new ATOM 0 HZ2 LYS A 615 -10.962 11.031 -2.798 1.00 22.22 H new ATOM 0 HZ3 LYS A 615 -10.393 10.627 -1.250 1.00 22.22 H new ATOM 545 N VAL A 616 -5.986 8.008 0.096 1.00 1.34 N ATOM 546 CA VAL A 616 -6.474 8.040 1.455 1.00 75.13 C ATOM 547 C VAL A 616 -6.725 9.482 1.773 1.00 43.42 C ATOM 548 O VAL A 616 -5.929 10.336 1.402 1.00 34.24 O ATOM 549 CB VAL A 616 -5.401 7.498 2.443 1.00 24.54 C ATOM 550 CG1 VAL A 616 -5.936 7.431 3.867 1.00 70.03 C ATOM 551 CG2 VAL A 616 -4.878 6.147 1.997 1.00 53.05 C ATOM 0 H VAL A 616 -5.056 8.411 -0.016 1.00 1.34 H new ATOM 0 HA VAL A 616 -7.368 7.424 1.552 1.00 75.13 H new ATOM 0 HB VAL A 616 -4.568 8.201 2.436 1.00 24.54 H new ATOM 0 HG11 VAL A 616 -5.160 7.048 4.530 1.00 70.03 H new ATOM 0 HG12 VAL A 616 -6.231 8.429 4.192 1.00 70.03 H new ATOM 0 HG13 VAL A 616 -6.801 6.768 3.900 1.00 70.03 H new ATOM 0 HG21 VAL A 616 -4.130 5.794 2.707 1.00 53.05 H new ATOM 0 HG22 VAL A 616 -5.702 5.434 1.953 1.00 53.05 H new ATOM 0 HG23 VAL A 616 -4.426 6.240 1.010 1.00 53.05 H new ATOM 557 N GLU A 617 -7.793 9.767 2.430 1.00 73.25 N ATOM 558 CA GLU A 617 -8.156 11.127 2.655 1.00 4.25 C ATOM 559 C GLU A 617 -8.394 11.444 4.116 1.00 24.13 C ATOM 560 O GLU A 617 -9.076 10.715 4.840 1.00 54.44 O ATOM 561 CB GLU A 617 -9.348 11.509 1.769 1.00 22.31 C ATOM 562 CG GLU A 617 -10.586 10.652 1.974 1.00 64.44 C ATOM 563 CD GLU A 617 -11.622 10.898 0.921 1.00 4.50 C ATOM 564 OE1 GLU A 617 -11.570 10.221 -0.120 1.00 32.43 O ATOM 565 OE2 GLU A 617 -12.488 11.775 1.095 1.00 24.31 O ATOM 0 H GLU A 617 -8.434 9.078 2.823 1.00 73.25 H new ATOM 0 HA GLU A 617 -7.306 11.746 2.368 1.00 4.25 H new ATOM 0 HB2 GLU A 617 -9.607 12.551 1.960 1.00 22.31 H new ATOM 0 HB3 GLU A 617 -9.044 11.442 0.724 1.00 22.31 H new ATOM 0 HG2 GLU A 617 -10.303 9.599 1.965 1.00 64.44 H new ATOM 0 HG3 GLU A 617 -11.011 10.859 2.956 1.00 64.44 H new ATOM 572 N THR A 618 -7.791 12.508 4.526 1.00 2.41 N ATOM 573 CA THR A 618 -7.923 13.067 5.830 1.00 0.34 C ATOM 574 C THR A 618 -8.241 14.548 5.657 1.00 1.22 C ATOM 575 O THR A 618 -8.190 15.058 4.524 1.00 74.23 O ATOM 576 CB THR A 618 -6.641 12.795 6.729 1.00 51.31 C ATOM 577 OG1 THR A 618 -6.544 13.690 7.842 1.00 61.12 O ATOM 578 CG2 THR A 618 -5.346 12.801 5.945 1.00 4.34 C ATOM 0 H THR A 618 -7.158 13.040 3.929 1.00 2.41 H new ATOM 0 HA THR A 618 -8.736 12.587 6.375 1.00 0.34 H new ATOM 0 HB THR A 618 -6.788 11.786 7.115 1.00 51.31 H new ATOM 0 HG1 THR A 618 -5.741 13.479 8.362 1.00 61.12 H new ATOM 0 HG21 THR A 618 -4.511 12.609 6.619 1.00 4.34 H new ATOM 0 HG22 THR A 618 -5.380 12.025 5.180 1.00 4.34 H new ATOM 0 HG23 THR A 618 -5.213 13.773 5.470 1.00 4.34 H new ATOM 584 N ASP A 619 -8.589 15.236 6.724 1.00 62.22 N ATOM 585 CA ASP A 619 -8.974 16.637 6.614 1.00 23.44 C ATOM 586 C ASP A 619 -7.776 17.509 6.256 1.00 21.23 C ATOM 587 O ASP A 619 -7.943 18.578 5.679 1.00 74.23 O ATOM 588 CB ASP A 619 -9.672 17.168 7.891 1.00 23.04 C ATOM 589 CG ASP A 619 -8.753 17.343 9.083 1.00 55.42 C ATOM 590 OD1 ASP A 619 -8.430 16.343 9.754 1.00 53.03 O ATOM 591 OD2 ASP A 619 -8.354 18.502 9.371 1.00 32.23 O ATOM 0 H ASP A 619 -8.615 14.858 7.671 1.00 62.22 H new ATOM 0 HA ASP A 619 -9.703 16.694 5.806 1.00 23.44 H new ATOM 0 HB2 ASP A 619 -10.137 18.127 7.663 1.00 23.04 H new ATOM 0 HB3 ASP A 619 -10.473 16.481 8.164 1.00 23.04 H new ATOM 596 N LYS A 620 -6.568 17.045 6.575 1.00 43.32 N ATOM 597 CA LYS A 620 -5.381 17.831 6.255 1.00 24.14 C ATOM 598 C LYS A 620 -4.792 17.441 4.909 1.00 32.41 C ATOM 599 O LYS A 620 -4.462 18.306 4.093 1.00 11.35 O ATOM 600 CB LYS A 620 -4.251 17.747 7.320 1.00 51.54 C ATOM 601 CG LYS A 620 -4.618 18.131 8.752 1.00 23.20 C ATOM 602 CD LYS A 620 -5.315 17.005 9.501 1.00 14.54 C ATOM 603 CE LYS A 620 -4.375 15.820 9.774 1.00 33.25 C ATOM 604 NZ LYS A 620 -3.230 16.206 10.650 1.00 34.31 N ATOM 0 H LYS A 620 -6.389 16.155 7.041 1.00 43.32 H new ATOM 0 HA LYS A 620 -5.745 18.858 6.232 1.00 24.14 H new ATOM 0 HB2 LYS A 620 -3.870 16.726 7.330 1.00 51.54 H new ATOM 0 HB3 LYS A 620 -3.432 18.389 6.996 1.00 51.54 H new ATOM 0 HG2 LYS A 620 -3.714 18.415 9.291 1.00 23.20 H new ATOM 0 HG3 LYS A 620 -5.267 19.006 8.734 1.00 23.20 H new ATOM 0 HD2 LYS A 620 -5.702 17.385 10.447 1.00 14.54 H new ATOM 0 HD3 LYS A 620 -6.172 16.661 8.921 1.00 14.54 H new ATOM 0 HE2 LYS A 620 -4.936 15.013 10.245 1.00 33.25 H new ATOM 0 HE3 LYS A 620 -3.994 15.434 8.829 1.00 33.25 H new ATOM 0 HZ1 LYS A 620 -2.748 15.349 10.989 1.00 34.31 H new ATOM 0 HZ2 LYS A 620 -2.560 16.789 10.109 1.00 34.31 H new ATOM 0 HZ3 LYS A 620 -3.583 16.749 11.464 1.00 34.31 H new ATOM 618 N TYR A 621 -4.665 16.142 4.659 1.00 33.24 N ATOM 619 CA TYR A 621 -3.959 15.693 3.454 1.00 24.43 C ATOM 620 C TYR A 621 -4.720 14.588 2.754 1.00 5.34 C ATOM 621 O TYR A 621 -5.754 14.121 3.226 1.00 54.34 O ATOM 622 CB TYR A 621 -2.580 15.088 3.826 1.00 24.30 C ATOM 623 CG TYR A 621 -1.737 15.878 4.795 1.00 22.21 C ATOM 624 CD1 TYR A 621 -0.949 16.937 4.379 1.00 3.13 C ATOM 625 CD2 TYR A 621 -1.736 15.545 6.142 1.00 32.43 C ATOM 626 CE1 TYR A 621 -0.183 17.647 5.281 1.00 34.43 C ATOM 627 CE2 TYR A 621 -0.982 16.240 7.049 1.00 14.53 C ATOM 628 CZ TYR A 621 -0.204 17.294 6.614 1.00 71.00 C ATOM 629 OH TYR A 621 0.550 18.004 7.513 1.00 72.32 O ATOM 0 H TYR A 621 -5.028 15.396 5.253 1.00 33.24 H new ATOM 0 HA TYR A 621 -3.857 16.567 2.811 1.00 24.43 H new ATOM 0 HB2 TYR A 621 -2.745 14.096 4.248 1.00 24.30 H new ATOM 0 HB3 TYR A 621 -2.008 14.953 2.908 1.00 24.30 H new ATOM 0 HD1 TYR A 621 -0.933 17.211 3.335 1.00 3.13 H new ATOM 0 HD2 TYR A 621 -2.343 14.719 6.482 1.00 32.43 H new ATOM 0 HE1 TYR A 621 0.428 18.472 4.946 1.00 34.43 H new ATOM 0 HE2 TYR A 621 -0.996 15.967 8.094 1.00 14.53 H new ATOM 0 HH TYR A 621 0.425 17.632 8.411 1.00 72.32 H new ATOM 639 N GLU A 622 -4.211 14.204 1.634 1.00 61.43 N ATOM 640 CA GLU A 622 -4.618 13.027 0.955 1.00 21.04 C ATOM 641 C GLU A 622 -3.362 12.260 0.609 1.00 42.10 C ATOM 642 O GLU A 622 -2.402 12.825 0.075 1.00 64.25 O ATOM 643 CB GLU A 622 -5.462 13.316 -0.294 1.00 34.04 C ATOM 644 CG GLU A 622 -4.802 14.205 -1.317 1.00 1.24 C ATOM 645 CD GLU A 622 -5.606 14.338 -2.564 1.00 54.22 C ATOM 646 OE1 GLU A 622 -6.634 15.040 -2.554 1.00 42.15 O ATOM 647 OE2 GLU A 622 -5.220 13.748 -3.592 1.00 53.32 O ATOM 0 H GLU A 622 -3.475 14.720 1.151 1.00 61.43 H new ATOM 0 HA GLU A 622 -5.270 12.441 1.602 1.00 21.04 H new ATOM 0 HB2 GLU A 622 -5.717 12.369 -0.769 1.00 34.04 H new ATOM 0 HB3 GLU A 622 -6.398 13.779 0.018 1.00 34.04 H new ATOM 0 HG2 GLU A 622 -4.642 15.193 -0.885 1.00 1.24 H new ATOM 0 HG3 GLU A 622 -3.820 13.802 -1.564 1.00 1.24 H new ATOM 654 N PHE A 623 -3.348 11.016 0.917 1.00 35.40 N ATOM 655 CA PHE A 623 -2.176 10.212 0.707 1.00 25.55 C ATOM 656 C PHE A 623 -2.412 9.255 -0.408 1.00 42.22 C ATOM 657 O PHE A 623 -3.443 8.612 -0.466 1.00 34.11 O ATOM 658 CB PHE A 623 -1.802 9.445 1.980 1.00 63.25 C ATOM 659 CG PHE A 623 -1.425 10.313 3.150 1.00 71.21 C ATOM 660 CD1 PHE A 623 -2.396 10.892 3.950 1.00 74.11 C ATOM 661 CD2 PHE A 623 -0.096 10.542 3.454 1.00 33.03 C ATOM 662 CE1 PHE A 623 -2.045 11.680 5.022 1.00 12.44 C ATOM 663 CE2 PHE A 623 0.257 11.330 4.528 1.00 61.22 C ATOM 664 CZ PHE A 623 -0.717 11.900 5.312 1.00 24.31 C ATOM 0 H PHE A 623 -4.140 10.516 1.321 1.00 35.40 H new ATOM 0 HA PHE A 623 -1.349 10.873 0.449 1.00 25.55 H new ATOM 0 HB2 PHE A 623 -2.643 8.815 2.269 1.00 63.25 H new ATOM 0 HB3 PHE A 623 -0.968 8.780 1.755 1.00 63.25 H new ATOM 0 HD1 PHE A 623 -3.440 10.723 3.730 1.00 74.11 H new ATOM 0 HD2 PHE A 623 0.675 10.098 2.842 1.00 33.03 H new ATOM 0 HE1 PHE A 623 -2.812 12.127 5.637 1.00 12.44 H new ATOM 0 HE2 PHE A 623 1.299 11.500 4.754 1.00 61.22 H new ATOM 0 HZ PHE A 623 -0.442 12.519 6.153 1.00 24.31 H new ATOM 674 N HIS A 624 -1.497 9.185 -1.305 1.00 41.44 N ATOM 675 CA HIS A 624 -1.598 8.263 -2.385 1.00 25.32 C ATOM 676 C HIS A 624 -0.627 7.155 -2.144 1.00 31.13 C ATOM 677 O HIS A 624 0.582 7.395 -2.031 1.00 11.13 O ATOM 678 CB HIS A 624 -1.363 8.946 -3.731 1.00 33.02 C ATOM 679 CG HIS A 624 -2.406 9.981 -4.068 1.00 74.13 C ATOM 680 ND1 HIS A 624 -3.472 9.732 -4.892 1.00 40.12 N ATOM 681 CD2 HIS A 624 -2.528 11.283 -3.690 1.00 60.14 C ATOM 682 CE1 HIS A 624 -4.202 10.824 -5.014 1.00 73.33 C ATOM 683 NE2 HIS A 624 -3.654 11.774 -4.298 1.00 45.54 N ATOM 0 H HIS A 624 -0.657 9.763 -1.315 1.00 41.44 H new ATOM 0 HA HIS A 624 -2.608 7.856 -2.430 1.00 25.32 H new ATOM 0 HB2 HIS A 624 -0.381 9.420 -3.723 1.00 33.02 H new ATOM 0 HB3 HIS A 624 -1.346 8.190 -4.516 1.00 33.02 H new ATOM 0 HD2 HIS A 624 -1.863 11.826 -3.035 1.00 60.14 H new ATOM 0 HE1 HIS A 624 -5.101 10.919 -5.605 1.00 73.33 H new ATOM 0 HE2 HIS A 624 -4.008 12.726 -4.207 1.00 45.54 H new ATOM 692 N ILE A 625 -1.148 5.962 -2.039 1.00 4.21 N ATOM 693 CA ILE A 625 -0.362 4.798 -1.683 1.00 20.21 C ATOM 694 C ILE A 625 -0.629 3.700 -2.688 1.00 62.52 C ATOM 695 O ILE A 625 -1.715 3.631 -3.263 1.00 43.14 O ATOM 696 CB ILE A 625 -0.783 4.272 -0.278 1.00 23.42 C ATOM 697 CG1 ILE A 625 -0.747 5.401 0.751 1.00 13.51 C ATOM 698 CG2 ILE A 625 0.123 3.122 0.172 1.00 50.50 C ATOM 699 CD1 ILE A 625 -1.170 4.977 2.131 1.00 34.14 C ATOM 0 H ILE A 625 -2.136 5.763 -2.198 1.00 4.21 H new ATOM 0 HA ILE A 625 0.692 5.075 -1.674 1.00 20.21 H new ATOM 0 HB ILE A 625 -1.804 3.897 -0.354 1.00 23.42 H new ATOM 0 HG12 ILE A 625 0.264 5.805 0.799 1.00 13.51 H new ATOM 0 HG13 ILE A 625 -1.397 6.209 0.414 1.00 13.51 H new ATOM 0 HG21 ILE A 625 -0.193 2.774 1.155 1.00 50.50 H new ATOM 0 HG22 ILE A 625 0.053 2.302 -0.543 1.00 50.50 H new ATOM 0 HG23 ILE A 625 1.154 3.471 0.224 1.00 50.50 H new ATOM 0 HD11 ILE A 625 -1.119 5.831 2.806 1.00 34.14 H new ATOM 0 HD12 ILE A 625 -2.193 4.601 2.099 1.00 34.14 H new ATOM 0 HD13 ILE A 625 -0.506 4.191 2.490 1.00 34.14 H new ATOM 706 N ASN A 626 0.335 2.866 -2.916 1.00 30.42 N ATOM 707 CA ASN A 626 0.164 1.750 -3.790 1.00 51.22 C ATOM 708 C ASN A 626 0.911 0.593 -3.188 1.00 41.15 C ATOM 709 O ASN A 626 1.858 0.812 -2.455 1.00 24.10 O ATOM 710 CB ASN A 626 0.655 2.091 -5.191 1.00 3.55 C ATOM 711 CG ASN A 626 0.228 1.092 -6.226 1.00 21.31 C ATOM 712 OD1 ASN A 626 -0.782 0.384 -6.064 1.00 1.44 O ATOM 713 ND2 ASN A 626 0.920 1.074 -7.310 1.00 34.02 N ATOM 0 H ASN A 626 1.264 2.940 -2.501 1.00 30.42 H new ATOM 0 HA ASN A 626 -0.888 1.486 -3.894 1.00 51.22 H new ATOM 0 HB2 ASN A 626 0.281 3.076 -5.470 1.00 3.55 H new ATOM 0 HB3 ASN A 626 1.743 2.153 -5.183 1.00 3.55 H new ATOM 0 HD21 ASN A 626 0.647 0.462 -8.079 1.00 34.02 H new ATOM 0 HD22 ASN A 626 1.742 1.671 -7.400 1.00 34.02 H new ATOM 719 N VAL A 627 0.469 -0.616 -3.455 1.00 3.52 N ATOM 720 CA VAL A 627 1.033 -1.814 -2.819 1.00 43.14 C ATOM 721 C VAL A 627 2.459 -2.100 -3.277 1.00 44.33 C ATOM 722 O VAL A 627 3.285 -2.616 -2.526 1.00 0.45 O ATOM 723 CB VAL A 627 0.135 -3.041 -3.067 1.00 41.23 C ATOM 724 CG1 VAL A 627 0.681 -4.288 -2.381 1.00 45.21 C ATOM 725 CG2 VAL A 627 -1.255 -2.746 -2.578 1.00 0.42 C ATOM 0 H VAL A 627 -0.286 -0.809 -4.113 1.00 3.52 H new ATOM 0 HA VAL A 627 1.071 -1.612 -1.748 1.00 43.14 H new ATOM 0 HB VAL A 627 0.117 -3.241 -4.138 1.00 41.23 H new ATOM 0 HG11 VAL A 627 0.020 -5.132 -2.580 1.00 45.21 H new ATOM 0 HG12 VAL A 627 1.677 -4.509 -2.766 1.00 45.21 H new ATOM 0 HG13 VAL A 627 0.738 -4.117 -1.306 1.00 45.21 H new ATOM 0 HG21 VAL A 627 -1.893 -3.612 -2.752 1.00 0.42 H new ATOM 0 HG22 VAL A 627 -1.226 -2.525 -1.511 1.00 0.42 H new ATOM 0 HG23 VAL A 627 -1.655 -1.887 -3.116 1.00 0.42 H new ATOM 731 N CYS A 628 2.725 -1.753 -4.477 1.00 32.44 N ATOM 732 CA CYS A 628 4.000 -1.982 -5.074 1.00 41.41 C ATOM 733 C CYS A 628 4.307 -0.867 -6.011 1.00 55.40 C ATOM 734 O CYS A 628 3.403 -0.336 -6.668 1.00 41.33 O ATOM 735 CB CYS A 628 3.992 -3.264 -5.895 1.00 12.54 C ATOM 736 SG CYS A 628 3.520 -4.768 -5.008 1.00 43.50 S ATOM 0 H CYS A 628 2.055 -1.292 -5.092 1.00 32.44 H new ATOM 0 HA CYS A 628 4.738 -2.054 -4.275 1.00 41.41 H new ATOM 0 HB2 CYS A 628 3.309 -3.131 -6.734 1.00 12.54 H new ATOM 0 HB3 CYS A 628 4.987 -3.410 -6.314 1.00 12.54 H new ATOM 741 N GLY A 629 5.542 -0.509 -6.071 1.00 23.04 N ATOM 742 CA GLY A 629 5.982 0.414 -7.048 1.00 51.14 C ATOM 743 C GLY A 629 5.601 1.821 -6.736 1.00 32.43 C ATOM 744 O GLY A 629 5.634 2.230 -5.581 1.00 44.04 O ATOM 0 H GLY A 629 6.271 -0.849 -5.444 1.00 23.04 H new ATOM 0 HA2 GLY A 629 7.066 0.349 -7.139 1.00 51.14 H new ATOM 0 HA3 GLY A 629 5.564 0.137 -8.016 1.00 51.14 H new ATOM 748 N PRO A 630 5.273 2.604 -7.744 1.00 5.00 N ATOM 749 CA PRO A 630 4.920 3.971 -7.574 1.00 63.34 C ATOM 750 C PRO A 630 3.416 4.208 -7.519 1.00 40.31 C ATOM 751 O PRO A 630 2.597 3.297 -7.742 1.00 22.12 O ATOM 752 CB PRO A 630 5.496 4.616 -8.833 1.00 62.34 C ATOM 753 CG PRO A 630 5.628 3.501 -9.844 1.00 42.24 C ATOM 754 CD PRO A 630 5.237 2.227 -9.153 1.00 41.23 C ATOM 0 HA PRO A 630 5.296 4.369 -6.631 1.00 63.34 H new ATOM 0 HB2 PRO A 630 4.840 5.404 -9.203 1.00 62.34 H new ATOM 0 HB3 PRO A 630 6.463 5.076 -8.629 1.00 62.34 H new ATOM 0 HG2 PRO A 630 4.986 3.684 -10.705 1.00 42.24 H new ATOM 0 HG3 PRO A 630 6.650 3.438 -10.217 1.00 42.24 H new ATOM 0 HD2 PRO A 630 4.246 1.889 -9.457 1.00 41.23 H new ATOM 0 HD3 PRO A 630 5.932 1.417 -9.374 1.00 41.23 H new ATOM 762 N VAL A 631 3.070 5.422 -7.217 1.00 35.11 N ATOM 763 CA VAL A 631 1.707 5.861 -7.224 1.00 1.14 C ATOM 764 C VAL A 631 1.512 6.804 -8.383 1.00 34.20 C ATOM 765 O VAL A 631 2.384 7.636 -8.667 1.00 61.15 O ATOM 766 CB VAL A 631 1.310 6.589 -5.898 1.00 43.10 C ATOM 767 CG1 VAL A 631 1.412 5.651 -4.738 1.00 11.53 C ATOM 768 CG2 VAL A 631 2.171 7.827 -5.639 1.00 43.45 C ATOM 0 H VAL A 631 3.737 6.148 -6.954 1.00 35.11 H new ATOM 0 HA VAL A 631 1.070 4.982 -7.318 1.00 1.14 H new ATOM 0 HB VAL A 631 0.278 6.920 -6.011 1.00 43.10 H new ATOM 0 HG11 VAL A 631 1.133 6.173 -3.823 1.00 11.53 H new ATOM 0 HG12 VAL A 631 0.741 4.806 -4.893 1.00 11.53 H new ATOM 0 HG13 VAL A 631 2.437 5.290 -4.651 1.00 11.53 H new ATOM 0 HG21 VAL A 631 1.859 8.299 -4.708 1.00 43.45 H new ATOM 0 HG22 VAL A 631 3.218 7.533 -5.563 1.00 43.45 H new ATOM 0 HG23 VAL A 631 2.051 8.532 -6.461 1.00 43.45 H new ATOM 774 N SER A 632 0.422 6.678 -9.080 1.00 45.14 N ATOM 775 CA SER A 632 0.197 7.614 -10.156 1.00 3.31 C ATOM 776 C SER A 632 -0.679 8.753 -9.672 1.00 73.04 C ATOM 777 O SER A 632 -1.775 8.533 -9.149 1.00 21.15 O ATOM 778 CB SER A 632 -0.430 6.917 -11.351 1.00 73.32 C ATOM 779 OG SER A 632 0.411 5.859 -11.810 1.00 11.03 O ATOM 0 H SER A 632 -0.300 5.972 -8.939 1.00 45.14 H new ATOM 0 HA SER A 632 1.156 8.023 -10.475 1.00 3.31 H new ATOM 0 HB2 SER A 632 -1.407 6.520 -11.076 1.00 73.32 H new ATOM 0 HB3 SER A 632 -0.592 7.635 -12.155 1.00 73.32 H new ATOM 0 HG SER A 632 -0.029 4.998 -11.649 1.00 11.03 H new ATOM 785 N VAL A 633 -0.193 9.974 -9.852 1.00 54.51 N ATOM 786 CA VAL A 633 -0.893 11.196 -9.448 1.00 15.01 C ATOM 787 C VAL A 633 -0.393 12.303 -10.371 1.00 71.40 C ATOM 788 O VAL A 633 0.711 12.195 -10.898 1.00 44.34 O ATOM 789 CB VAL A 633 -0.548 11.628 -7.960 1.00 43.01 C ATOM 790 CG1 VAL A 633 -1.447 12.757 -7.465 1.00 60.11 C ATOM 791 CG2 VAL A 633 -0.573 10.463 -6.984 1.00 60.45 C ATOM 0 H VAL A 633 0.712 10.151 -10.289 1.00 54.51 H new ATOM 0 HA VAL A 633 -1.968 11.024 -9.507 1.00 15.01 H new ATOM 0 HB VAL A 633 0.476 12.000 -7.996 1.00 43.01 H new ATOM 0 HG11 VAL A 633 -1.173 13.018 -6.443 1.00 60.11 H new ATOM 0 HG12 VAL A 633 -1.324 13.629 -8.108 1.00 60.11 H new ATOM 0 HG13 VAL A 633 -2.487 12.432 -7.490 1.00 60.11 H new ATOM 0 HG21 VAL A 633 -0.329 10.821 -5.984 1.00 60.45 H new ATOM 0 HG22 VAL A 633 -1.567 10.015 -6.977 1.00 60.45 H new ATOM 0 HG23 VAL A 633 0.159 9.716 -7.290 1.00 60.45 H new ATOM 797 N GLY A 634 -1.161 13.346 -10.556 1.00 45.24 N ATOM 798 CA GLY A 634 -0.718 14.448 -11.394 1.00 74.14 C ATOM 799 C GLY A 634 0.310 15.331 -10.692 1.00 33.14 C ATOM 800 O GLY A 634 0.991 16.127 -11.328 1.00 43.42 O ATOM 0 H GLY A 634 -2.088 13.462 -10.146 1.00 45.24 H new ATOM 0 HA2 GLY A 634 -0.287 14.052 -12.313 1.00 74.14 H new ATOM 0 HA3 GLY A 634 -1.578 15.053 -11.680 1.00 74.14 H new ATOM 804 N ALA A 635 0.427 15.169 -9.383 1.00 41.30 N ATOM 805 CA ALA A 635 1.340 15.971 -8.577 1.00 61.22 C ATOM 806 C ALA A 635 2.456 15.121 -7.967 1.00 65.34 C ATOM 807 O ALA A 635 3.221 15.596 -7.123 1.00 72.33 O ATOM 808 CB ALA A 635 0.561 16.664 -7.475 1.00 0.32 C ATOM 0 H ALA A 635 -0.105 14.481 -8.850 1.00 41.30 H new ATOM 0 HA ALA A 635 1.807 16.710 -9.229 1.00 61.22 H new ATOM 0 HB1 ALA A 635 1.241 17.264 -6.871 1.00 0.32 H new ATOM 0 HB2 ALA A 635 -0.198 17.310 -7.917 1.00 0.32 H new ATOM 0 HB3 ALA A 635 0.079 15.917 -6.845 1.00 0.32 H new ATOM 814 N CYS A 636 2.569 13.885 -8.397 1.00 12.34 N ATOM 815 CA CYS A 636 3.567 12.993 -7.828 1.00 64.21 C ATOM 816 C CYS A 636 4.311 12.258 -8.935 1.00 31.35 C ATOM 817 O CYS A 636 3.716 11.915 -9.960 1.00 42.00 O ATOM 818 CB CYS A 636 2.906 11.992 -6.869 1.00 20.32 C ATOM 819 SG CYS A 636 1.915 12.772 -5.531 1.00 1.30 S ATOM 0 H CYS A 636 1.992 13.473 -9.130 1.00 12.34 H new ATOM 0 HA CYS A 636 4.285 13.589 -7.264 1.00 64.21 H new ATOM 0 HB2 CYS A 636 2.261 11.327 -7.443 1.00 20.32 H new ATOM 0 HB3 CYS A 636 3.681 11.372 -6.418 1.00 20.32 H new ATOM 824 N PRO A 637 5.619 12.024 -8.767 1.00 0.10 N ATOM 825 CA PRO A 637 6.427 11.349 -9.771 1.00 31.50 C ATOM 826 C PRO A 637 6.198 9.826 -9.770 1.00 73.43 C ATOM 827 O PRO A 637 5.963 9.220 -8.717 1.00 62.45 O ATOM 828 CB PRO A 637 7.863 11.672 -9.335 1.00 60.42 C ATOM 829 CG PRO A 637 7.783 11.827 -7.861 1.00 61.52 C ATOM 830 CD PRO A 637 6.420 12.398 -7.571 1.00 23.33 C ATOM 0 HA PRO A 637 6.187 11.675 -10.783 1.00 31.50 H new ATOM 0 HB2 PRO A 637 8.550 10.873 -9.612 1.00 60.42 H new ATOM 0 HB3 PRO A 637 8.226 12.584 -9.810 1.00 60.42 H new ATOM 0 HG2 PRO A 637 7.917 10.868 -7.361 1.00 61.52 H new ATOM 0 HG3 PRO A 637 8.568 12.489 -7.496 1.00 61.52 H new ATOM 0 HD2 PRO A 637 5.996 11.979 -6.658 1.00 23.33 H new ATOM 0 HD3 PRO A 637 6.459 13.479 -7.437 1.00 23.33 H new ATOM 838 N PRO A 638 6.290 9.178 -10.941 1.00 15.44 N ATOM 839 CA PRO A 638 6.107 7.715 -11.073 1.00 13.41 C ATOM 840 C PRO A 638 7.315 6.917 -10.544 1.00 3.24 C ATOM 841 O PRO A 638 7.600 5.802 -11.004 1.00 42.54 O ATOM 842 CB PRO A 638 5.973 7.521 -12.577 1.00 43.14 C ATOM 843 CG PRO A 638 6.755 8.634 -13.164 1.00 23.52 C ATOM 844 CD PRO A 638 6.557 9.808 -12.251 1.00 71.41 C ATOM 0 HA PRO A 638 5.255 7.358 -10.495 1.00 13.41 H new ATOM 0 HB2 PRO A 638 6.364 6.553 -12.889 1.00 43.14 H new ATOM 0 HB3 PRO A 638 4.930 7.559 -12.891 1.00 43.14 H new ATOM 0 HG2 PRO A 638 7.810 8.372 -13.239 1.00 23.52 H new ATOM 0 HG3 PRO A 638 6.411 8.862 -14.173 1.00 23.52 H new ATOM 0 HD2 PRO A 638 7.440 10.446 -12.218 1.00 71.41 H new ATOM 0 HD3 PRO A 638 5.724 10.433 -12.574 1.00 71.41 H new ATOM 852 N ASP A 639 7.993 7.478 -9.569 1.00 41.15 N ATOM 853 CA ASP A 639 9.113 6.821 -8.929 1.00 20.44 C ATOM 854 C ASP A 639 8.923 6.874 -7.405 1.00 42.43 C ATOM 855 O ASP A 639 9.729 6.378 -6.635 1.00 14.33 O ATOM 856 CB ASP A 639 10.443 7.461 -9.377 1.00 61.52 C ATOM 857 CG ASP A 639 11.684 6.744 -8.856 1.00 51.04 C ATOM 858 OD1 ASP A 639 12.027 5.654 -9.380 1.00 44.51 O ATOM 859 OD2 ASP A 639 12.351 7.273 -7.940 1.00 12.02 O ATOM 0 H ASP A 639 7.784 8.404 -9.196 1.00 41.15 H new ATOM 0 HA ASP A 639 9.154 5.774 -9.229 1.00 20.44 H new ATOM 0 HB2 ASP A 639 10.477 7.479 -10.466 1.00 61.52 H new ATOM 0 HB3 ASP A 639 10.467 8.497 -9.041 1.00 61.52 H new ATOM 864 N SER A 640 7.822 7.465 -6.978 1.00 41.31 N ATOM 865 CA SER A 640 7.486 7.510 -5.574 1.00 31.32 C ATOM 866 C SER A 640 6.296 6.601 -5.313 1.00 70.14 C ATOM 867 O SER A 640 5.307 6.659 -6.050 1.00 61.33 O ATOM 868 CB SER A 640 7.180 8.944 -5.139 1.00 62.51 C ATOM 869 OG SER A 640 6.150 9.524 -5.927 1.00 33.31 O ATOM 0 H SER A 640 7.145 7.921 -7.590 1.00 41.31 H new ATOM 0 HA SER A 640 8.337 7.160 -4.989 1.00 31.32 H new ATOM 0 HB2 SER A 640 6.883 8.951 -4.090 1.00 62.51 H new ATOM 0 HB3 SER A 640 8.083 9.549 -5.218 1.00 62.51 H new ATOM 0 HG SER A 640 6.362 9.411 -6.877 1.00 33.31 H new ATOM 875 N GLY A 641 6.388 5.771 -4.296 1.00 71.01 N ATOM 876 CA GLY A 641 5.307 4.848 -3.998 1.00 2.25 C ATOM 877 C GLY A 641 4.426 5.330 -2.880 1.00 11.41 C ATOM 878 O GLY A 641 3.428 4.694 -2.542 1.00 22.52 O ATOM 0 H GLY A 641 7.189 5.714 -3.667 1.00 71.01 H new ATOM 0 HA2 GLY A 641 4.703 4.700 -4.893 1.00 2.25 H new ATOM 0 HA3 GLY A 641 5.726 3.877 -3.733 1.00 2.25 H new ATOM 882 N ALA A 642 4.806 6.428 -2.290 1.00 0.22 N ATOM 883 CA ALA A 642 3.999 7.075 -1.293 1.00 41.30 C ATOM 884 C ALA A 642 4.117 8.569 -1.490 1.00 3.30 C ATOM 885 O ALA A 642 5.222 9.117 -1.489 1.00 61.24 O ATOM 886 CB ALA A 642 4.456 6.681 0.102 1.00 2.11 C ATOM 0 H ALA A 642 5.687 6.902 -2.487 1.00 0.22 H new ATOM 0 HA ALA A 642 2.959 6.767 -1.396 1.00 41.30 H new ATOM 0 HB1 ALA A 642 3.833 7.181 0.844 1.00 2.11 H new ATOM 0 HB2 ALA A 642 4.368 5.601 0.222 1.00 2.11 H new ATOM 0 HB3 ALA A 642 5.495 6.978 0.242 1.00 2.11 H new ATOM 892 N CYS A 643 3.007 9.225 -1.677 1.00 70.12 N ATOM 893 CA CYS A 643 3.008 10.658 -1.920 1.00 20.13 C ATOM 894 C CYS A 643 1.780 11.302 -1.291 1.00 43.03 C ATOM 895 O CYS A 643 0.675 10.772 -1.407 1.00 60.15 O ATOM 896 CB CYS A 643 3.059 10.924 -3.425 1.00 44.41 C ATOM 897 SG CYS A 643 3.117 12.685 -3.902 1.00 15.04 S ATOM 0 H CYS A 643 2.081 8.797 -1.668 1.00 70.12 H new ATOM 0 HA CYS A 643 3.891 11.102 -1.459 1.00 20.13 H new ATOM 0 HB2 CYS A 643 3.936 10.424 -3.837 1.00 44.41 H new ATOM 0 HB3 CYS A 643 2.184 10.467 -3.888 1.00 44.41 H new ATOM 902 N GLN A 644 1.964 12.422 -0.622 1.00 50.24 N ATOM 903 CA GLN A 644 0.859 13.091 0.017 1.00 13.35 C ATOM 904 C GLN A 644 0.622 14.435 -0.611 1.00 12.53 C ATOM 905 O GLN A 644 1.570 15.168 -0.939 1.00 25.52 O ATOM 906 CB GLN A 644 1.048 13.253 1.544 1.00 32.42 C ATOM 907 CG GLN A 644 2.231 14.118 1.963 1.00 3.23 C ATOM 908 CD GLN A 644 2.305 14.344 3.477 1.00 72.13 C ATOM 909 OE1 GLN A 644 1.295 14.365 4.159 1.00 2.11 O ATOM 910 NE2 GLN A 644 3.503 14.528 4.002 1.00 43.43 N ATOM 0 H GLN A 644 2.867 12.884 -0.509 1.00 50.24 H new ATOM 0 HA GLN A 644 -0.012 12.453 -0.133 1.00 13.35 H new ATOM 0 HB2 GLN A 644 0.138 13.682 1.963 1.00 32.42 H new ATOM 0 HB3 GLN A 644 1.167 12.264 1.986 1.00 32.42 H new ATOM 0 HG2 GLN A 644 3.155 13.647 1.627 1.00 3.23 H new ATOM 0 HG3 GLN A 644 2.164 15.083 1.461 1.00 3.23 H new ATOM 0 HE21 GLN A 644 4.330 14.505 3.406 1.00 43.43 H new ATOM 0 HE22 GLN A 644 3.601 14.693 5.004 1.00 43.43 H new ATOM 918 N VAL A 645 -0.612 14.740 -0.794 1.00 75.13 N ATOM 919 CA VAL A 645 -1.023 15.998 -1.306 1.00 55.21 C ATOM 920 C VAL A 645 -1.841 16.666 -0.223 1.00 53.22 C ATOM 921 O VAL A 645 -2.824 16.105 0.246 1.00 54.42 O ATOM 922 CB VAL A 645 -1.880 15.834 -2.595 1.00 25.40 C ATOM 923 CG1 VAL A 645 -2.308 17.183 -3.135 1.00 70.01 C ATOM 924 CG2 VAL A 645 -1.114 15.055 -3.663 1.00 75.12 C ATOM 0 H VAL A 645 -1.384 14.106 -0.587 1.00 75.13 H new ATOM 0 HA VAL A 645 -0.152 16.596 -1.576 1.00 55.21 H new ATOM 0 HB VAL A 645 -2.774 15.269 -2.331 1.00 25.40 H new ATOM 0 HG11 VAL A 645 -2.905 17.041 -4.036 1.00 70.01 H new ATOM 0 HG12 VAL A 645 -2.902 17.704 -2.384 1.00 70.01 H new ATOM 0 HG13 VAL A 645 -1.425 17.776 -3.375 1.00 70.01 H new ATOM 0 HG21 VAL A 645 -1.734 14.954 -4.554 1.00 75.12 H new ATOM 0 HG22 VAL A 645 -0.199 15.589 -3.917 1.00 75.12 H new ATOM 0 HG23 VAL A 645 -0.863 14.065 -3.281 1.00 75.12 H new ATOM 930 N SER A 646 -1.424 17.807 0.211 1.00 42.53 N ATOM 931 CA SER A 646 -2.125 18.494 1.237 1.00 3.32 C ATOM 932 C SER A 646 -3.390 19.124 0.680 1.00 75.42 C ATOM 933 O SER A 646 -3.422 19.601 -0.464 1.00 44.52 O ATOM 934 CB SER A 646 -1.230 19.538 1.911 1.00 2.22 C ATOM 935 OG SER A 646 -1.932 20.228 2.933 1.00 51.53 O ATOM 0 H SER A 646 -0.592 18.286 -0.134 1.00 42.53 H new ATOM 0 HA SER A 646 -2.414 17.773 2.001 1.00 3.32 H new ATOM 0 HB2 SER A 646 -0.352 19.050 2.334 1.00 2.22 H new ATOM 0 HB3 SER A 646 -0.872 20.250 1.167 1.00 2.22 H new ATOM 0 HG SER A 646 -1.480 20.089 3.791 1.00 51.53 H new ATOM 941 N ARG A 647 -4.421 19.095 1.471 1.00 44.41 N ATOM 942 CA ARG A 647 -5.681 19.660 1.104 1.00 44.12 C ATOM 943 C ARG A 647 -5.802 21.033 1.753 1.00 24.25 C ATOM 944 O ARG A 647 -6.276 21.982 1.142 1.00 2.11 O ATOM 945 CB ARG A 647 -6.820 18.735 1.569 1.00 12.24 C ATOM 946 CG ARG A 647 -6.706 17.311 1.029 1.00 65.21 C ATOM 947 CD ARG A 647 -7.809 16.403 1.563 1.00 51.03 C ATOM 948 NE ARG A 647 -9.153 16.782 1.096 1.00 42.11 N ATOM 949 CZ ARG A 647 -10.299 16.262 1.570 1.00 41.45 C ATOM 950 NH1 ARG A 647 -10.285 15.454 2.633 1.00 74.23 N ATOM 951 NH2 ARG A 647 -11.460 16.580 1.008 1.00 64.42 N ATOM 0 H ARG A 647 -4.408 18.673 2.400 1.00 44.41 H new ATOM 0 HA ARG A 647 -5.750 19.765 0.021 1.00 44.12 H new ATOM 0 HB2 ARG A 647 -6.829 18.702 2.658 1.00 12.24 H new ATOM 0 HB3 ARG A 647 -7.774 19.159 1.255 1.00 12.24 H new ATOM 0 HG2 ARG A 647 -6.751 17.332 -0.060 1.00 65.21 H new ATOM 0 HG3 ARG A 647 -5.734 16.898 1.300 1.00 65.21 H new ATOM 0 HD2 ARG A 647 -7.603 15.376 1.260 1.00 51.03 H new ATOM 0 HD3 ARG A 647 -7.791 16.424 2.653 1.00 51.03 H new ATOM 0 HE ARG A 647 -9.219 17.488 0.362 1.00 42.11 H new ATOM 0 HH11 ARG A 647 -9.402 15.228 3.090 1.00 74.23 H new ATOM 0 HH12 ARG A 647 -11.158 15.063 2.988 1.00 74.23 H new ATOM 0 HH21 ARG A 647 -11.484 17.220 0.214 1.00 64.42 H new ATOM 0 HH22 ARG A 647 -12.327 16.184 1.370 1.00 64.42 H new ATOM 963 N SER A 648 -5.346 21.132 2.990 1.00 11.44 N ATOM 964 CA SER A 648 -5.405 22.382 3.724 1.00 5.10 C ATOM 965 C SER A 648 -4.241 23.324 3.380 1.00 12.13 C ATOM 966 O SER A 648 -4.434 24.532 3.249 1.00 3.43 O ATOM 967 CB SER A 648 -5.456 22.110 5.225 1.00 35.54 C ATOM 968 OG SER A 648 -6.595 21.334 5.564 1.00 31.13 O ATOM 0 H SER A 648 -4.930 20.358 3.508 1.00 11.44 H new ATOM 0 HA SER A 648 -6.319 22.892 3.421 1.00 5.10 H new ATOM 0 HB2 SER A 648 -4.551 21.588 5.534 1.00 35.54 H new ATOM 0 HB3 SER A 648 -5.480 23.055 5.769 1.00 35.54 H new ATOM 0 HG SER A 648 -6.604 21.172 6.530 1.00 31.13 H new ATOM 974 N ASP A 649 -3.043 22.777 3.230 1.00 4.44 N ATOM 975 CA ASP A 649 -1.859 23.602 2.941 1.00 73.10 C ATOM 976 C ASP A 649 -1.489 23.494 1.463 1.00 4.45 C ATOM 977 O ASP A 649 -0.678 24.250 0.938 1.00 34.34 O ATOM 978 CB ASP A 649 -0.703 23.162 3.844 1.00 22.51 C ATOM 979 CG ASP A 649 0.543 23.992 3.696 1.00 54.42 C ATOM 980 OD1 ASP A 649 0.506 25.202 4.027 1.00 34.44 O ATOM 981 OD2 ASP A 649 1.578 23.440 3.335 1.00 44.34 O ATOM 0 H ASP A 649 -2.857 21.777 3.301 1.00 4.44 H new ATOM 0 HA ASP A 649 -2.079 24.649 3.148 1.00 73.10 H new ATOM 0 HB2 ASP A 649 -1.032 23.202 4.882 1.00 22.51 H new ATOM 0 HB3 ASP A 649 -0.462 22.122 3.626 1.00 22.51 H new ATOM 986 N ARG A 650 -2.142 22.557 0.807 1.00 34.34 N ATOM 987 CA ARG A 650 -2.042 22.291 -0.631 1.00 60.12 C ATOM 988 C ARG A 650 -0.622 22.095 -1.192 1.00 51.12 C ATOM 989 O ARG A 650 -0.394 22.274 -2.392 1.00 34.20 O ATOM 990 CB ARG A 650 -2.819 23.328 -1.396 1.00 13.31 C ATOM 991 CG ARG A 650 -4.290 23.294 -1.063 1.00 14.31 C ATOM 992 CD ARG A 650 -5.038 24.336 -1.815 1.00 24.33 C ATOM 993 NE ARG A 650 -6.469 24.323 -1.500 1.00 34.33 N ATOM 994 CZ ARG A 650 -7.389 25.048 -2.140 1.00 72.14 C ATOM 995 NH1 ARG A 650 -7.045 25.784 -3.200 1.00 23.14 N ATOM 996 NH2 ARG A 650 -8.653 25.024 -1.731 1.00 64.02 N ATOM 0 H ARG A 650 -2.791 21.925 1.276 1.00 34.34 H new ATOM 0 HA ARG A 650 -2.489 21.307 -0.774 1.00 60.12 H new ATOM 0 HB2 ARG A 650 -2.420 24.317 -1.173 1.00 13.31 H new ATOM 0 HB3 ARG A 650 -2.686 23.164 -2.465 1.00 13.31 H new ATOM 0 HG2 ARG A 650 -4.696 22.310 -1.299 1.00 14.31 H new ATOM 0 HG3 ARG A 650 -4.426 23.447 0.008 1.00 14.31 H new ATOM 0 HD2 ARG A 650 -4.625 25.317 -1.582 1.00 24.33 H new ATOM 0 HD3 ARG A 650 -4.901 24.179 -2.885 1.00 24.33 H new ATOM 0 HE ARG A 650 -6.783 23.719 -0.740 1.00 34.33 H new ATOM 0 HH11 ARG A 650 -6.077 25.793 -3.522 1.00 23.14 H new ATOM 0 HH12 ARG A 650 -7.750 26.337 -3.687 1.00 23.14 H new ATOM 0 HH21 ARG A 650 -8.919 24.452 -0.929 1.00 64.02 H new ATOM 0 HH22 ARG A 650 -9.357 25.577 -2.219 1.00 64.02 H new ATOM 1008 N LYS A 651 0.303 21.683 -0.364 1.00 71.53 N ATOM 1009 CA LYS A 651 1.623 21.306 -0.847 1.00 43.52 C ATOM 1010 C LYS A 651 1.669 19.815 -1.062 1.00 64.30 C ATOM 1011 O LYS A 651 0.769 19.094 -0.637 1.00 51.51 O ATOM 1012 CB LYS A 651 2.716 21.702 0.129 1.00 12.03 C ATOM 1013 CG LYS A 651 2.905 23.180 0.285 1.00 22.12 C ATOM 1014 CD LYS A 651 3.911 23.472 1.376 1.00 30.14 C ATOM 1015 CE LYS A 651 4.136 24.954 1.554 1.00 72.54 C ATOM 1016 NZ LYS A 651 5.001 25.231 2.718 1.00 42.42 N ATOM 0 H LYS A 651 0.176 21.597 0.644 1.00 71.53 H new ATOM 0 HA LYS A 651 1.799 21.834 -1.784 1.00 43.52 H new ATOM 0 HB2 LYS A 651 2.487 21.273 1.105 1.00 12.03 H new ATOM 0 HB3 LYS A 651 3.657 21.261 -0.200 1.00 12.03 H new ATOM 0 HG2 LYS A 651 3.245 23.611 -0.657 1.00 22.12 H new ATOM 0 HG3 LYS A 651 1.952 23.651 0.525 1.00 22.12 H new ATOM 0 HD2 LYS A 651 3.562 23.043 2.315 1.00 30.14 H new ATOM 0 HD3 LYS A 651 4.857 22.988 1.136 1.00 30.14 H new ATOM 0 HE2 LYS A 651 4.592 25.365 0.654 1.00 72.54 H new ATOM 0 HE3 LYS A 651 3.177 25.456 1.683 1.00 72.54 H new ATOM 0 HZ1 LYS A 651 5.136 26.258 2.813 1.00 42.42 H new ATOM 0 HZ2 LYS A 651 4.553 24.859 3.580 1.00 42.42 H new ATOM 0 HZ3 LYS A 651 5.924 24.771 2.582 1.00 42.42 H new ATOM 1030 N SER A 652 2.687 19.357 -1.695 1.00 71.21 N ATOM 1031 CA SER A 652 2.842 17.947 -1.939 1.00 21.24 C ATOM 1032 C SER A 652 4.238 17.472 -1.545 1.00 62.14 C ATOM 1033 O SER A 652 5.228 18.208 -1.702 1.00 40.22 O ATOM 1034 CB SER A 652 2.495 17.618 -3.398 1.00 51.42 C ATOM 1035 OG SER A 652 3.203 18.462 -4.296 1.00 73.42 O ATOM 0 H SER A 652 3.441 19.937 -2.063 1.00 71.21 H new ATOM 0 HA SER A 652 2.141 17.399 -1.309 1.00 21.24 H new ATOM 0 HB2 SER A 652 2.737 16.576 -3.606 1.00 51.42 H new ATOM 0 HB3 SER A 652 1.423 17.734 -3.555 1.00 51.42 H new ATOM 0 HG SER A 652 2.966 18.231 -5.218 1.00 73.42 H new ATOM 1041 N TRP A 653 4.313 16.270 -1.004 1.00 74.10 N ATOM 1042 CA TRP A 653 5.572 15.694 -0.539 1.00 1.24 C ATOM 1043 C TRP A 653 5.587 14.224 -0.814 1.00 51.44 C ATOM 1044 O TRP A 653 4.544 13.574 -0.922 1.00 33.41 O ATOM 1045 CB TRP A 653 5.761 15.890 0.973 1.00 51.15 C ATOM 1046 CG TRP A 653 5.702 17.304 1.493 1.00 10.21 C ATOM 1047 CD1 TRP A 653 6.713 18.212 1.518 1.00 30.22 C ATOM 1048 CD2 TRP A 653 4.572 17.947 2.099 1.00 10.41 C ATOM 1049 NE1 TRP A 653 6.285 19.379 2.102 1.00 34.01 N ATOM 1050 CE2 TRP A 653 4.968 19.241 2.464 1.00 12.23 C ATOM 1051 CE3 TRP A 653 3.270 17.549 2.359 1.00 55.23 C ATOM 1052 CZ2 TRP A 653 4.092 20.138 3.084 1.00 23.25 C ATOM 1053 CZ3 TRP A 653 2.409 18.427 2.967 1.00 24.25 C ATOM 1054 CH2 TRP A 653 2.819 19.709 3.324 1.00 43.51 C ATOM 0 H TRP A 653 3.505 15.661 -0.872 1.00 74.10 H new ATOM 0 HA TRP A 653 6.376 16.203 -1.071 1.00 1.24 H new ATOM 0 HB2 TRP A 653 4.997 15.308 1.488 1.00 51.15 H new ATOM 0 HB3 TRP A 653 6.726 15.467 1.251 1.00 51.15 H new ATOM 0 HD1 TRP A 653 7.708 18.041 1.134 1.00 30.22 H new ATOM 0 HE1 TRP A 653 6.854 20.214 2.244 1.00 34.01 H new ATOM 0 HE3 TRP A 653 2.937 16.559 2.086 1.00 55.23 H new ATOM 0 HZ2 TRP A 653 4.411 21.132 3.362 1.00 23.25 H new ATOM 0 HZ3 TRP A 653 1.395 18.118 3.173 1.00 24.25 H new ATOM 0 HH2 TRP A 653 2.116 20.377 3.800 1.00 43.51 H new ATOM 1065 N ASN A 654 6.760 13.722 -0.895 1.00 23.24 N ATOM 1066 CA ASN A 654 7.032 12.348 -1.160 1.00 61.14 C ATOM 1067 C ASN A 654 7.294 11.665 0.174 1.00 40.43 C ATOM 1068 O ASN A 654 7.956 12.248 1.052 1.00 54.40 O ATOM 1069 CB ASN A 654 8.266 12.331 -2.032 1.00 1.42 C ATOM 1070 CG ASN A 654 8.677 11.010 -2.577 1.00 52.15 C ATOM 1071 OD1 ASN A 654 8.488 9.961 -1.982 1.00 32.53 O ATOM 1072 ND2 ASN A 654 9.231 11.074 -3.735 1.00 72.10 N ATOM 0 H ASN A 654 7.605 14.280 -0.773 1.00 23.24 H new ATOM 0 HA ASN A 654 6.212 11.831 -1.659 1.00 61.14 H new ATOM 0 HB2 ASN A 654 8.101 13.009 -2.870 1.00 1.42 H new ATOM 0 HB3 ASN A 654 9.097 12.735 -1.454 1.00 1.42 H new ATOM 0 HD21 ASN A 654 9.537 10.220 -4.202 1.00 72.10 H new ATOM 0 HD22 ASN A 654 9.365 11.978 -4.187 1.00 72.10 H new ATOM 1078 N LEU A 655 6.754 10.486 0.368 1.00 14.41 N ATOM 1079 CA LEU A 655 6.943 9.793 1.628 1.00 65.33 C ATOM 1080 C LEU A 655 7.634 8.474 1.417 1.00 40.11 C ATOM 1081 O LEU A 655 7.671 7.633 2.308 1.00 61.43 O ATOM 1082 CB LEU A 655 5.636 9.536 2.373 1.00 12.52 C ATOM 1083 CG LEU A 655 4.697 10.700 2.587 1.00 52.22 C ATOM 1084 CD1 LEU A 655 3.891 10.986 1.412 1.00 43.22 C ATOM 1085 CD2 LEU A 655 3.844 10.521 3.784 1.00 12.41 C ATOM 0 H LEU A 655 6.187 9.988 -0.318 1.00 14.41 H new ATOM 0 HA LEU A 655 7.559 10.456 2.236 1.00 65.33 H new ATOM 0 HB2 LEU A 655 5.090 8.763 1.832 1.00 12.52 H new ATOM 0 HB3 LEU A 655 5.885 9.125 3.351 1.00 12.52 H new ATOM 0 HG LEU A 655 5.333 11.567 2.764 1.00 52.22 H new ATOM 0 HD11 LEU A 655 3.234 11.831 1.618 1.00 43.22 H new ATOM 0 HD12 LEU A 655 4.544 11.230 0.574 1.00 43.22 H new ATOM 0 HD13 LEU A 655 3.290 10.112 1.161 1.00 43.22 H new ATOM 0 HD21 LEU A 655 3.187 11.384 3.895 1.00 12.41 H new ATOM 0 HD22 LEU A 655 3.243 9.619 3.671 1.00 12.41 H new ATOM 0 HD23 LEU A 655 4.474 10.428 4.669 1.00 12.41 H new ATOM 1093 N GLY A 656 8.175 8.285 0.255 1.00 44.20 N ATOM 1094 CA GLY A 656 8.887 7.094 0.019 1.00 61.54 C ATOM 1095 C GLY A 656 8.993 6.756 -1.426 1.00 75.40 C ATOM 1096 O GLY A 656 8.013 6.855 -2.192 1.00 52.21 O ATOM 0 H GLY A 656 8.133 8.937 -0.528 1.00 44.20 H new ATOM 0 HA2 GLY A 656 9.889 7.187 0.439 1.00 61.54 H new ATOM 0 HA3 GLY A 656 8.396 6.274 0.543 1.00 61.54 H new ATOM 1100 N ARG A 657 10.159 6.344 -1.801 1.00 4.22 N ATOM 1101 CA ARG A 657 10.464 6.013 -3.145 1.00 74.31 C ATOM 1102 C ARG A 657 9.931 4.607 -3.439 1.00 1.43 C ATOM 1103 O ARG A 657 9.850 3.762 -2.529 1.00 55.23 O ATOM 1104 CB ARG A 657 11.969 6.111 -3.362 1.00 55.30 C ATOM 1105 CG ARG A 657 12.388 5.991 -4.800 1.00 44.43 C ATOM 1106 CD ARG A 657 13.867 6.167 -4.950 1.00 24.42 C ATOM 1107 NE ARG A 657 14.268 6.119 -6.348 1.00 3.43 N ATOM 1108 CZ ARG A 657 15.504 5.872 -6.779 1.00 61.25 C ATOM 1109 NH1 ARG A 657 16.496 5.705 -5.916 1.00 12.42 N ATOM 1110 NH2 ARG A 657 15.746 5.826 -8.071 1.00 21.32 N ATOM 0 H ARG A 657 10.944 6.227 -1.160 1.00 4.22 H new ATOM 0 HA ARG A 657 9.987 6.709 -3.835 1.00 74.31 H new ATOM 0 HB2 ARG A 657 12.321 7.065 -2.970 1.00 55.30 H new ATOM 0 HB3 ARG A 657 12.461 5.328 -2.784 1.00 55.30 H new ATOM 0 HG2 ARG A 657 12.094 5.015 -5.187 1.00 44.43 H new ATOM 0 HG3 ARG A 657 11.868 6.740 -5.397 1.00 44.43 H new ATOM 0 HD2 ARG A 657 14.167 7.121 -4.516 1.00 24.42 H new ATOM 0 HD3 ARG A 657 14.386 5.386 -4.394 1.00 24.42 H new ATOM 0 HE ARG A 657 13.548 6.287 -7.051 1.00 3.43 H new ATOM 0 HH11 ARG A 657 16.316 5.765 -4.914 1.00 12.42 H new ATOM 0 HH12 ARG A 657 17.440 5.516 -6.254 1.00 12.42 H new ATOM 0 HH21 ARG A 657 14.989 5.979 -8.737 1.00 21.32 H new ATOM 0 HH22 ARG A 657 16.691 5.637 -8.407 1.00 21.32 H new ATOM 1122 N SER A 658 9.548 4.378 -4.676 1.00 3.10 N ATOM 1123 CA SER A 658 8.913 3.146 -5.098 1.00 44.12 C ATOM 1124 C SER A 658 9.730 1.890 -4.811 1.00 11.22 C ATOM 1125 O SER A 658 10.974 1.886 -4.911 1.00 23.43 O ATOM 1126 CB SER A 658 8.585 3.229 -6.574 1.00 5.34 C ATOM 1127 OG SER A 658 9.737 3.543 -7.339 1.00 1.11 O ATOM 0 H SER A 658 9.671 5.053 -5.431 1.00 3.10 H new ATOM 0 HA SER A 658 8.005 3.048 -4.504 1.00 44.12 H new ATOM 0 HB2 SER A 658 8.170 2.279 -6.911 1.00 5.34 H new ATOM 0 HB3 SER A 658 7.819 3.987 -6.737 1.00 5.34 H new ATOM 0 HG SER A 658 9.918 4.504 -7.278 1.00 1.11 H new ATOM 1133 N ASN A 659 9.025 0.839 -4.453 1.00 34.51 N ATOM 1134 CA ASN A 659 9.605 -0.471 -4.224 1.00 73.34 C ATOM 1135 C ASN A 659 8.461 -1.447 -4.065 1.00 71.24 C ATOM 1136 O ASN A 659 7.312 -1.030 -4.018 1.00 70.42 O ATOM 1137 CB ASN A 659 10.533 -0.511 -2.978 1.00 23.13 C ATOM 1138 CG ASN A 659 9.803 -0.547 -1.647 1.00 73.03 C ATOM 1139 OD1 ASN A 659 9.530 -1.609 -1.134 1.00 30.11 O ATOM 1140 ND2 ASN A 659 9.491 0.583 -1.091 1.00 31.34 N ATOM 0 H ASN A 659 8.016 0.869 -4.310 1.00 34.51 H new ATOM 0 HA ASN A 659 10.238 -0.733 -5.072 1.00 73.34 H new ATOM 0 HB2 ASN A 659 11.176 -1.388 -3.048 1.00 23.13 H new ATOM 0 HB3 ASN A 659 11.183 0.364 -2.997 1.00 23.13 H new ATOM 0 HD21 ASN A 659 9.002 0.593 -0.196 1.00 31.34 H new ATOM 0 HD22 ASN A 659 9.735 1.461 -1.549 1.00 31.34 H new ATOM 1146 N ALA A 660 8.751 -2.715 -4.014 1.00 1.43 N ATOM 1147 CA ALA A 660 7.717 -3.716 -3.868 1.00 73.51 C ATOM 1148 C ALA A 660 8.060 -4.677 -2.734 1.00 33.01 C ATOM 1149 O ALA A 660 7.646 -5.846 -2.743 1.00 44.43 O ATOM 1150 CB ALA A 660 7.542 -4.457 -5.179 1.00 73.21 C ATOM 0 H ALA A 660 9.698 -3.088 -4.071 1.00 1.43 H new ATOM 0 HA ALA A 660 6.776 -3.229 -3.614 1.00 73.51 H new ATOM 0 HB1 ALA A 660 6.763 -5.211 -5.069 1.00 73.21 H new ATOM 0 HB2 ALA A 660 7.257 -3.752 -5.960 1.00 73.21 H new ATOM 0 HB3 ALA A 660 8.480 -4.941 -5.451 1.00 73.21 H new ATOM 1156 N LYS A 661 8.791 -4.169 -1.757 1.00 54.15 N ATOM 1157 CA LYS A 661 9.187 -4.942 -0.596 1.00 63.01 C ATOM 1158 C LYS A 661 8.100 -5.001 0.441 1.00 23.04 C ATOM 1159 O LYS A 661 7.798 -4.004 1.119 1.00 35.24 O ATOM 1160 CB LYS A 661 10.490 -4.429 0.060 1.00 23.11 C ATOM 1161 CG LYS A 661 11.807 -4.905 -0.556 1.00 1.03 C ATOM 1162 CD LYS A 661 11.983 -4.541 -2.011 1.00 42.14 C ATOM 1163 CE LYS A 661 13.345 -5.006 -2.490 1.00 61.54 C ATOM 1164 NZ LYS A 661 13.568 -4.733 -3.918 1.00 64.22 N ATOM 0 H LYS A 661 9.127 -3.206 -1.748 1.00 54.15 H new ATOM 0 HA LYS A 661 9.374 -5.946 -0.977 1.00 63.01 H new ATOM 0 HB2 LYS A 661 10.477 -3.339 0.034 1.00 23.11 H new ATOM 0 HB3 LYS A 661 10.480 -4.723 1.110 1.00 23.11 H new ATOM 0 HG2 LYS A 661 12.634 -4.482 0.014 1.00 1.03 H new ATOM 0 HG3 LYS A 661 11.871 -5.988 -0.455 1.00 1.03 H new ATOM 0 HD2 LYS A 661 11.198 -5.004 -2.610 1.00 42.14 H new ATOM 0 HD3 LYS A 661 11.889 -3.463 -2.141 1.00 42.14 H new ATOM 0 HE2 LYS A 661 14.120 -4.511 -1.904 1.00 61.54 H new ATOM 0 HE3 LYS A 661 13.443 -6.076 -2.309 1.00 61.54 H new ATOM 0 HZ1 LYS A 661 14.590 -4.696 -4.109 1.00 64.22 H new ATOM 0 HZ2 LYS A 661 13.136 -5.489 -4.487 1.00 64.22 H new ATOM 0 HZ3 LYS A 661 13.136 -3.821 -4.169 1.00 64.22 H new ATOM 1178 N LEU A 662 7.508 -6.146 0.557 1.00 32.51 N ATOM 1179 CA LEU A 662 6.546 -6.375 1.582 1.00 45.24 C ATOM 1180 C LEU A 662 7.288 -7.030 2.733 1.00 24.44 C ATOM 1181 O LEU A 662 8.021 -7.991 2.523 1.00 53.12 O ATOM 1182 CB LEU A 662 5.442 -7.329 1.089 1.00 64.51 C ATOM 1183 CG LEU A 662 4.592 -6.890 -0.096 1.00 2.54 C ATOM 1184 CD1 LEU A 662 3.568 -7.958 -0.414 1.00 3.43 C ATOM 1185 CD2 LEU A 662 3.901 -5.576 0.176 1.00 23.13 C ATOM 0 H LEU A 662 7.678 -6.945 -0.054 1.00 32.51 H new ATOM 0 HA LEU A 662 6.075 -5.438 1.878 1.00 45.24 H new ATOM 0 HB2 LEU A 662 5.912 -8.277 0.829 1.00 64.51 H new ATOM 0 HB3 LEU A 662 4.772 -7.524 1.926 1.00 64.51 H new ATOM 0 HG LEU A 662 5.252 -6.749 -0.952 1.00 2.54 H new ATOM 0 HD11 LEU A 662 2.962 -7.640 -1.262 1.00 3.43 H new ATOM 0 HD12 LEU A 662 4.078 -8.889 -0.661 1.00 3.43 H new ATOM 0 HD13 LEU A 662 2.925 -8.115 0.452 1.00 3.43 H new ATOM 0 HD21 LEU A 662 3.303 -5.293 -0.690 1.00 23.13 H new ATOM 0 HD22 LEU A 662 3.253 -5.679 1.046 1.00 23.13 H new ATOM 0 HD23 LEU A 662 4.647 -4.806 0.369 1.00 23.13 H new ATOM 1193 N SER A 663 7.113 -6.529 3.911 1.00 73.00 N ATOM 1194 CA SER A 663 7.780 -7.064 5.064 1.00 11.24 C ATOM 1195 C SER A 663 6.767 -7.695 6.008 1.00 64.35 C ATOM 1196 O SER A 663 5.862 -7.049 6.461 1.00 34.01 O ATOM 1197 CB SER A 663 8.555 -5.948 5.754 1.00 4.11 C ATOM 1198 OG SER A 663 9.518 -5.385 4.870 1.00 72.22 O ATOM 0 H SER A 663 6.503 -5.735 4.107 1.00 73.00 H new ATOM 0 HA SER A 663 8.481 -7.842 4.760 1.00 11.24 H new ATOM 0 HB2 SER A 663 7.866 -5.173 6.090 1.00 4.11 H new ATOM 0 HB3 SER A 663 9.053 -6.339 6.641 1.00 4.11 H new ATOM 0 HG SER A 663 10.005 -4.669 5.329 1.00 72.22 H new ATOM 1204 N TYR A 664 6.933 -8.941 6.294 1.00 30.40 N ATOM 1205 CA TYR A 664 5.988 -9.662 7.116 1.00 61.02 C ATOM 1206 C TYR A 664 6.614 -9.905 8.473 1.00 24.11 C ATOM 1207 O TYR A 664 7.637 -10.559 8.570 1.00 61.11 O ATOM 1208 CB TYR A 664 5.666 -10.954 6.400 1.00 3.41 C ATOM 1209 CG TYR A 664 4.584 -11.797 6.985 1.00 35.23 C ATOM 1210 CD1 TYR A 664 3.299 -11.319 7.107 1.00 72.54 C ATOM 1211 CD2 TYR A 664 4.832 -13.097 7.334 1.00 51.12 C ATOM 1212 CE1 TYR A 664 2.297 -12.092 7.559 1.00 35.42 C ATOM 1213 CE2 TYR A 664 3.846 -13.909 7.809 1.00 0.13 C ATOM 1214 CZ TYR A 664 2.557 -13.402 7.923 1.00 54.32 C ATOM 1215 OH TYR A 664 1.531 -14.203 8.378 1.00 51.20 O ATOM 0 H TYR A 664 7.723 -9.499 5.971 1.00 30.40 H new ATOM 0 HA TYR A 664 5.065 -9.104 7.274 1.00 61.02 H new ATOM 0 HB2 TYR A 664 5.391 -10.713 5.373 1.00 3.41 H new ATOM 0 HB3 TYR A 664 6.576 -11.553 6.355 1.00 3.41 H new ATOM 0 HD1 TYR A 664 3.091 -10.296 6.832 1.00 72.54 H new ATOM 0 HD2 TYR A 664 5.833 -13.489 7.230 1.00 51.12 H new ATOM 0 HE1 TYR A 664 1.296 -11.694 7.638 1.00 35.42 H new ATOM 0 HE2 TYR A 664 4.062 -14.929 8.092 1.00 0.13 H new ATOM 0 HH TYR A 664 1.361 -14.917 7.728 1.00 51.20 H new ATOM 1225 N TYR A 665 6.007 -9.353 9.520 1.00 61.11 N ATOM 1226 CA TYR A 665 6.622 -9.381 10.853 1.00 54.40 C ATOM 1227 C TYR A 665 6.330 -10.683 11.603 1.00 34.43 C ATOM 1228 O TYR A 665 7.192 -11.206 12.327 1.00 10.30 O ATOM 1229 CB TYR A 665 6.178 -8.142 11.669 1.00 4.34 C ATOM 1230 CG TYR A 665 6.895 -7.973 12.995 1.00 14.22 C ATOM 1231 CD1 TYR A 665 8.155 -7.393 13.048 1.00 55.30 C ATOM 1232 CD2 TYR A 665 6.325 -8.398 14.182 1.00 2.53 C ATOM 1233 CE1 TYR A 665 8.826 -7.241 14.240 1.00 11.13 C ATOM 1234 CE2 TYR A 665 6.994 -8.253 15.384 1.00 32.33 C ATOM 1235 CZ TYR A 665 8.244 -7.673 15.405 1.00 15.42 C ATOM 1236 OH TYR A 665 8.922 -7.532 16.604 1.00 40.32 O ATOM 0 H TYR A 665 5.101 -8.885 9.478 1.00 61.11 H new ATOM 0 HA TYR A 665 7.703 -9.343 10.721 1.00 54.40 H new ATOM 0 HB2 TYR A 665 6.340 -7.248 11.066 1.00 4.34 H new ATOM 0 HB3 TYR A 665 5.106 -8.211 11.856 1.00 4.34 H new ATOM 0 HD1 TYR A 665 8.619 -7.054 12.134 1.00 55.30 H new ATOM 0 HD2 TYR A 665 5.344 -8.849 14.170 1.00 2.53 H new ATOM 0 HE1 TYR A 665 9.805 -6.785 14.258 1.00 11.13 H new ATOM 0 HE2 TYR A 665 6.539 -8.593 16.302 1.00 32.33 H new ATOM 0 HH TYR A 665 8.373 -7.886 17.334 1.00 40.32 H new ATOM 1246 N ASP A 666 5.139 -11.198 11.405 1.00 62.02 N ATOM 1247 CA ASP A 666 4.672 -12.443 12.057 1.00 30.13 C ATOM 1248 C ASP A 666 3.285 -12.738 11.556 1.00 25.41 C ATOM 1249 O ASP A 666 2.885 -13.889 11.412 1.00 74.13 O ATOM 1250 CB ASP A 666 4.635 -12.332 13.610 1.00 34.32 C ATOM 1251 CG ASP A 666 3.536 -11.422 14.139 1.00 71.24 C ATOM 1252 OD1 ASP A 666 3.673 -10.204 14.053 1.00 54.34 O ATOM 1253 OD2 ASP A 666 2.519 -11.935 14.661 1.00 12.05 O ATOM 0 H ASP A 666 4.446 -10.777 10.786 1.00 62.02 H new ATOM 0 HA ASP A 666 5.374 -13.239 11.808 1.00 30.13 H new ATOM 0 HB2 ASP A 666 4.502 -13.328 14.032 1.00 34.32 H new ATOM 0 HB3 ASP A 666 5.599 -11.963 13.961 1.00 34.32 H new ATOM 1258 N GLY A 667 2.557 -11.681 11.305 1.00 24.13 N ATOM 1259 CA GLY A 667 1.233 -11.781 10.773 1.00 34.22 C ATOM 1260 C GLY A 667 0.845 -10.513 10.099 1.00 22.45 C ATOM 1261 O GLY A 667 0.132 -10.521 9.094 1.00 54.21 O ATOM 0 H GLY A 667 2.872 -10.724 11.466 1.00 24.13 H new ATOM 0 HA2 GLY A 667 1.181 -12.607 10.064 1.00 34.22 H new ATOM 0 HA3 GLY A 667 0.529 -12.004 11.574 1.00 34.22 H new ATOM 1265 N MET A 668 1.299 -9.409 10.644 1.00 75.54 N ATOM 1266 CA MET A 668 1.080 -8.148 10.008 1.00 75.21 C ATOM 1267 C MET A 668 2.060 -7.984 8.886 1.00 74.34 C ATOM 1268 O MET A 668 3.282 -8.163 9.075 1.00 63.13 O ATOM 1269 CB MET A 668 1.198 -6.945 10.971 1.00 33.23 C ATOM 1270 CG MET A 668 0.163 -6.901 12.090 1.00 50.02 C ATOM 1271 SD MET A 668 0.411 -8.155 13.357 1.00 61.10 S ATOM 1272 CE MET A 668 1.964 -7.602 14.059 1.00 33.01 C ATOM 0 H MET A 668 1.818 -9.366 11.521 1.00 75.54 H new ATOM 0 HA MET A 668 0.055 -8.154 9.637 1.00 75.21 H new ATOM 0 HB2 MET A 668 2.192 -6.955 11.418 1.00 33.23 H new ATOM 0 HB3 MET A 668 1.119 -6.026 10.390 1.00 33.23 H new ATOM 0 HG2 MET A 668 0.188 -5.916 12.557 1.00 50.02 H new ATOM 0 HG3 MET A 668 -0.830 -7.025 11.659 1.00 50.02 H new ATOM 0 HE1 MET A 668 2.094 -8.044 15.047 1.00 33.01 H new ATOM 0 HE2 MET A 668 2.786 -7.910 13.412 1.00 33.01 H new ATOM 0 HE3 MET A 668 1.958 -6.515 14.145 1.00 33.01 H new ATOM 1282 N ILE A 669 1.543 -7.709 7.732 1.00 62.22 N ATOM 1283 CA ILE A 669 2.348 -7.399 6.592 1.00 55.03 C ATOM 1284 C ILE A 669 2.567 -5.917 6.604 1.00 1.13 C ATOM 1285 O ILE A 669 1.632 -5.155 6.802 1.00 43.22 O ATOM 1286 CB ILE A 669 1.649 -7.797 5.280 1.00 64.43 C ATOM 1287 CG1 ILE A 669 1.466 -9.271 5.218 1.00 20.34 C ATOM 1288 CG2 ILE A 669 2.452 -7.333 4.065 1.00 70.21 C ATOM 1289 CD1 ILE A 669 0.575 -9.736 4.082 1.00 12.35 C ATOM 0 H ILE A 669 0.539 -7.693 7.551 1.00 62.22 H new ATOM 0 HA ILE A 669 3.286 -7.952 6.643 1.00 55.03 H new ATOM 0 HB ILE A 669 0.675 -7.309 5.262 1.00 64.43 H new ATOM 0 HG12 ILE A 669 2.443 -9.744 5.117 1.00 20.34 H new ATOM 0 HG13 ILE A 669 1.042 -9.614 6.162 1.00 20.34 H new ATOM 0 HG21 ILE A 669 1.934 -7.628 3.152 1.00 70.21 H new ATOM 0 HG22 ILE A 669 2.555 -6.248 4.089 1.00 70.21 H new ATOM 0 HG23 ILE A 669 3.441 -7.792 4.086 1.00 70.21 H new ATOM 0 HD11 ILE A 669 0.492 -10.823 4.106 1.00 12.35 H new ATOM 0 HD12 ILE A 669 -0.415 -9.294 4.192 1.00 12.35 H new ATOM 0 HD13 ILE A 669 1.007 -9.426 3.130 1.00 12.35 H new ATOM 1296 N GLN A 670 3.766 -5.522 6.445 1.00 32.52 N ATOM 1297 CA GLN A 670 4.103 -4.146 6.449 1.00 54.21 C ATOM 1298 C GLN A 670 4.715 -3.773 5.133 1.00 31.41 C ATOM 1299 O GLN A 670 5.667 -4.393 4.677 1.00 43.24 O ATOM 1300 CB GLN A 670 5.054 -3.823 7.588 1.00 31.14 C ATOM 1301 CG GLN A 670 4.555 -4.305 8.929 1.00 43.20 C ATOM 1302 CD GLN A 670 5.422 -3.865 10.070 1.00 3.42 C ATOM 1303 OE1 GLN A 670 6.392 -4.533 10.431 1.00 40.01 O ATOM 1304 NE2 GLN A 670 5.056 -2.767 10.667 1.00 60.41 N ATOM 0 H GLN A 670 4.558 -6.149 6.306 1.00 32.52 H new ATOM 0 HA GLN A 670 3.193 -3.564 6.599 1.00 54.21 H new ATOM 0 HB2 GLN A 670 6.024 -4.276 7.383 1.00 31.14 H new ATOM 0 HB3 GLN A 670 5.208 -2.745 7.630 1.00 31.14 H new ATOM 0 HG2 GLN A 670 3.541 -3.936 9.087 1.00 43.20 H new ATOM 0 HG3 GLN A 670 4.501 -5.394 8.920 1.00 43.20 H new ATOM 0 HE21 GLN A 670 4.245 -2.249 10.330 1.00 60.41 H new ATOM 0 HE22 GLN A 670 5.581 -2.425 11.472 1.00 60.41 H new ATOM 1312 N LEU A 671 4.163 -2.793 4.528 1.00 22.44 N ATOM 1313 CA LEU A 671 4.657 -2.296 3.260 1.00 14.45 C ATOM 1314 C LEU A 671 5.524 -1.130 3.650 1.00 21.15 C ATOM 1315 O LEU A 671 5.127 -0.357 4.526 1.00 50.03 O ATOM 1316 CB LEU A 671 3.483 -1.773 2.439 1.00 51.21 C ATOM 1317 CG LEU A 671 3.544 -1.861 0.900 1.00 72.13 C ATOM 1318 CD1 LEU A 671 2.369 -1.148 0.298 1.00 54.32 C ATOM 1319 CD2 LEU A 671 4.840 -1.355 0.290 1.00 30.50 C ATOM 0 H LEU A 671 3.348 -2.294 4.884 1.00 22.44 H new ATOM 0 HA LEU A 671 5.180 -3.054 2.677 1.00 14.45 H new ATOM 0 HB2 LEU A 671 2.591 -2.309 2.763 1.00 51.21 H new ATOM 0 HB3 LEU A 671 3.339 -0.725 2.703 1.00 51.21 H new ATOM 0 HG LEU A 671 3.507 -2.924 0.661 1.00 72.13 H new ATOM 0 HD11 LEU A 671 2.420 -1.215 -0.789 1.00 54.32 H new ATOM 0 HD12 LEU A 671 1.445 -1.610 0.647 1.00 54.32 H new ATOM 0 HD13 LEU A 671 2.387 -0.100 0.598 1.00 54.32 H new ATOM 0 HD21 LEU A 671 4.795 -1.455 -0.795 1.00 30.50 H new ATOM 0 HD22 LEU A 671 4.981 -0.307 0.553 1.00 30.50 H new ATOM 0 HD23 LEU A 671 5.676 -1.940 0.674 1.00 30.50 H new ATOM 1327 N THR A 672 6.670 -0.975 3.076 1.00 32.04 N ATOM 1328 CA THR A 672 7.519 0.096 3.537 1.00 14.43 C ATOM 1329 C THR A 672 8.068 0.947 2.409 1.00 50.42 C ATOM 1330 O THR A 672 8.777 0.465 1.538 1.00 70.01 O ATOM 1331 CB THR A 672 8.670 -0.435 4.430 1.00 51.41 C ATOM 1332 OG1 THR A 672 8.106 -1.180 5.522 1.00 0.44 O ATOM 1333 CG2 THR A 672 9.493 0.726 5.001 1.00 12.11 C ATOM 0 H THR A 672 7.039 -1.546 2.316 1.00 32.04 H new ATOM 0 HA THR A 672 6.882 0.743 4.140 1.00 14.43 H new ATOM 0 HB THR A 672 9.320 -1.067 3.825 1.00 51.41 H new ATOM 0 HG1 THR A 672 8.827 -1.521 6.092 1.00 0.44 H new ATOM 0 HG21 THR A 672 10.295 0.331 5.624 1.00 12.11 H new ATOM 0 HG22 THR A 672 9.921 1.306 4.183 1.00 12.11 H new ATOM 0 HG23 THR A 672 8.849 1.368 5.602 1.00 12.11 H new ATOM 1339 N TYR A 673 7.715 2.206 2.430 1.00 3.44 N ATOM 1340 CA TYR A 673 8.244 3.166 1.515 1.00 5.41 C ATOM 1341 C TYR A 673 9.198 4.079 2.244 1.00 53.34 C ATOM 1342 O TYR A 673 8.800 4.846 3.122 1.00 12.34 O ATOM 1343 CB TYR A 673 7.139 3.939 0.798 1.00 63.42 C ATOM 1344 CG TYR A 673 6.394 3.090 -0.174 1.00 41.41 C ATOM 1345 CD1 TYR A 673 6.970 2.781 -1.387 1.00 72.31 C ATOM 1346 CD2 TYR A 673 5.140 2.586 0.105 1.00 71.33 C ATOM 1347 CE1 TYR A 673 6.336 1.996 -2.298 1.00 23.43 C ATOM 1348 CE2 TYR A 673 4.484 1.795 -0.812 1.00 43.13 C ATOM 1349 CZ TYR A 673 5.094 1.501 -2.017 1.00 41.31 C ATOM 1350 OH TYR A 673 4.469 0.696 -2.925 1.00 15.22 O ATOM 0 H TYR A 673 7.043 2.592 3.094 1.00 3.44 H new ATOM 0 HA TYR A 673 8.795 2.642 0.734 1.00 5.41 H new ATOM 0 HB2 TYR A 673 6.443 4.340 1.534 1.00 63.42 H new ATOM 0 HB3 TYR A 673 7.575 4.790 0.274 1.00 63.42 H new ATOM 0 HD1 TYR A 673 7.949 3.172 -1.620 1.00 72.31 H new ATOM 0 HD2 TYR A 673 4.669 2.814 1.050 1.00 71.33 H new ATOM 0 HE1 TYR A 673 6.812 1.765 -3.239 1.00 23.43 H new ATOM 0 HE2 TYR A 673 3.500 1.407 -0.591 1.00 43.13 H new ATOM 0 HH TYR A 673 3.510 0.898 -2.936 1.00 15.22 H new ATOM 1360 N ARG A 674 10.457 3.946 1.913 1.00 34.52 N ATOM 1361 CA ARG A 674 11.518 4.692 2.529 1.00 54.02 C ATOM 1362 C ARG A 674 12.040 5.712 1.514 1.00 72.22 C ATOM 1363 O ARG A 674 11.682 5.639 0.341 1.00 62.11 O ATOM 1364 CB ARG A 674 12.641 3.710 2.860 1.00 60.35 C ATOM 1365 CG ARG A 674 13.800 4.284 3.631 1.00 65.03 C ATOM 1366 CD ARG A 674 14.947 3.306 3.678 1.00 11.13 C ATOM 1367 NE ARG A 674 16.064 3.818 4.456 1.00 0.11 N ATOM 1368 CZ ARG A 674 17.256 4.159 3.963 1.00 60.44 C ATOM 1369 NH1 ARG A 674 17.443 4.292 2.644 1.00 62.02 N ATOM 1370 NH2 ARG A 674 18.238 4.439 4.791 1.00 22.03 N ATOM 0 H ARG A 674 10.777 3.301 1.191 1.00 34.52 H new ATOM 0 HA ARG A 674 11.172 5.201 3.428 1.00 54.02 H new ATOM 0 HB2 ARG A 674 12.220 2.884 3.433 1.00 60.35 H new ATOM 0 HB3 ARG A 674 13.020 3.291 1.928 1.00 60.35 H new ATOM 0 HG2 ARG A 674 14.127 5.214 3.166 1.00 65.03 H new ATOM 0 HG3 ARG A 674 13.483 4.529 4.645 1.00 65.03 H new ATOM 0 HD2 ARG A 674 14.605 2.365 4.110 1.00 11.13 H new ATOM 0 HD3 ARG A 674 15.281 3.088 2.663 1.00 11.13 H new ATOM 0 HE ARG A 674 15.925 3.925 5.461 1.00 0.11 H new ATOM 0 HH11 ARG A 674 16.668 4.132 2.000 1.00 62.02 H new ATOM 0 HH12 ARG A 674 18.360 4.553 2.283 1.00 62.02 H new ATOM 0 HH21 ARG A 674 18.084 4.394 5.798 1.00 22.03 H new ATOM 0 HH22 ARG A 674 19.154 4.701 4.426 1.00 22.03 H new ATOM 1382 N ASP A 675 12.878 6.642 1.971 1.00 44.44 N ATOM 1383 CA ASP A 675 13.542 7.622 1.098 1.00 22.11 C ATOM 1384 C ASP A 675 12.613 8.673 0.556 1.00 3.24 C ATOM 1385 O ASP A 675 12.816 9.184 -0.548 1.00 2.13 O ATOM 1386 CB ASP A 675 14.363 6.950 -0.028 1.00 62.53 C ATOM 1387 CG ASP A 675 15.621 6.294 0.487 1.00 55.00 C ATOM 1388 OD1 ASP A 675 16.595 7.023 0.767 1.00 12.34 O ATOM 1389 OD2 ASP A 675 15.673 5.042 0.597 1.00 65.22 O ATOM 0 H ASP A 675 13.119 6.741 2.957 1.00 44.44 H new ATOM 0 HA ASP A 675 14.246 8.147 1.744 1.00 22.11 H new ATOM 0 HB2 ASP A 675 13.746 6.203 -0.527 1.00 62.53 H new ATOM 0 HB3 ASP A 675 14.627 7.697 -0.776 1.00 62.53 H new ATOM 1394 N GLY A 676 11.621 9.034 1.350 1.00 54.12 N ATOM 1395 CA GLY A 676 10.747 10.120 0.995 1.00 32.23 C ATOM 1396 C GLY A 676 11.441 11.463 1.156 1.00 25.15 C ATOM 1397 O GLY A 676 12.665 11.531 1.292 1.00 41.21 O ATOM 0 H GLY A 676 11.407 8.588 2.242 1.00 54.12 H new ATOM 0 HA2 GLY A 676 10.416 10.001 -0.037 1.00 32.23 H new ATOM 0 HA3 GLY A 676 9.855 10.092 1.621 1.00 32.23 H new ATOM 1401 N THR A 677 10.684 12.515 1.163 1.00 12.24 N ATOM 1402 CA THR A 677 11.241 13.839 1.281 1.00 2.25 C ATOM 1403 C THR A 677 11.684 14.081 2.741 1.00 4.03 C ATOM 1404 O THR A 677 10.867 14.003 3.657 1.00 41.20 O ATOM 1405 CB THR A 677 10.182 14.881 0.845 1.00 63.42 C ATOM 1406 OG1 THR A 677 9.679 14.523 -0.448 1.00 34.14 O ATOM 1407 CG2 THR A 677 10.764 16.276 0.766 1.00 14.22 C ATOM 0 H THR A 677 9.667 12.488 1.088 1.00 12.24 H new ATOM 0 HA THR A 677 12.113 13.938 0.634 1.00 2.25 H new ATOM 0 HB THR A 677 9.387 14.882 1.591 1.00 63.42 H new ATOM 0 HG1 THR A 677 9.412 15.333 -0.931 1.00 34.14 H new ATOM 0 HG21 THR A 677 9.989 16.977 0.457 1.00 14.22 H new ATOM 0 HG22 THR A 677 11.147 16.567 1.744 1.00 14.22 H new ATOM 0 HG23 THR A 677 11.577 16.291 0.040 1.00 14.22 H new ATOM 1413 N PRO A 678 12.983 14.332 2.969 1.00 24.43 N ATOM 1414 CA PRO A 678 13.520 14.547 4.308 1.00 24.52 C ATOM 1415 C PRO A 678 13.171 15.906 4.868 1.00 74.51 C ATOM 1416 O PRO A 678 13.167 16.909 4.142 1.00 74.23 O ATOM 1417 CB PRO A 678 15.034 14.403 4.119 1.00 70.43 C ATOM 1418 CG PRO A 678 15.282 14.768 2.695 1.00 35.22 C ATOM 1419 CD PRO A 678 14.031 14.420 1.929 1.00 3.44 C ATOM 0 HA PRO A 678 13.103 13.841 5.027 1.00 24.52 H new ATOM 0 HB2 PRO A 678 15.580 15.060 4.796 1.00 70.43 H new ATOM 0 HB3 PRO A 678 15.363 13.385 4.328 1.00 70.43 H new ATOM 0 HG2 PRO A 678 15.508 15.830 2.603 1.00 35.22 H new ATOM 0 HG3 PRO A 678 16.140 14.224 2.301 1.00 35.22 H new ATOM 0 HD2 PRO A 678 13.793 15.182 1.187 1.00 3.44 H new ATOM 0 HD3 PRO A 678 14.141 13.477 1.393 1.00 3.44 H new ATOM 1427 N TYR A 679 12.855 15.945 6.155 1.00 42.32 N ATOM 1428 CA TYR A 679 12.536 17.174 6.797 1.00 43.02 C ATOM 1429 C TYR A 679 12.665 17.067 8.307 1.00 74.52 C ATOM 1430 O TYR A 679 12.531 15.980 8.866 1.00 62.42 O ATOM 1431 CB TYR A 679 11.138 17.656 6.409 1.00 11.22 C ATOM 1432 CG TYR A 679 9.980 16.844 6.933 1.00 60.45 C ATOM 1433 CD1 TYR A 679 9.754 15.537 6.532 1.00 51.42 C ATOM 1434 CD2 TYR A 679 9.086 17.421 7.792 1.00 35.43 C ATOM 1435 CE1 TYR A 679 8.640 14.831 6.999 1.00 13.44 C ATOM 1436 CE2 TYR A 679 7.998 16.736 8.261 1.00 31.23 C ATOM 1437 CZ TYR A 679 7.776 15.449 7.866 1.00 51.25 C ATOM 1438 OH TYR A 679 6.661 14.777 8.326 1.00 55.54 O ATOM 0 H TYR A 679 12.818 15.126 6.762 1.00 42.32 H new ATOM 0 HA TYR A 679 13.259 17.913 6.452 1.00 43.02 H new ATOM 0 HB2 TYR A 679 11.021 18.682 6.758 1.00 11.22 H new ATOM 0 HB3 TYR A 679 11.074 17.680 5.321 1.00 11.22 H new ATOM 0 HD1 TYR A 679 10.444 15.059 5.853 1.00 51.42 H new ATOM 0 HD2 TYR A 679 9.242 18.442 8.108 1.00 35.43 H new ATOM 0 HE1 TYR A 679 8.463 13.814 6.681 1.00 13.44 H new ATOM 0 HE2 TYR A 679 7.314 17.215 8.945 1.00 31.23 H new ATOM 0 HH TYR A 679 6.156 15.358 8.932 1.00 55.54 H new ATOM 1448 N ASN A 680 12.962 18.204 8.932 1.00 50.13 N ATOM 1449 CA ASN A 680 13.038 18.372 10.397 1.00 31.54 C ATOM 1450 C ASN A 680 13.933 17.353 11.121 1.00 22.51 C ATOM 1451 O ASN A 680 13.427 16.462 11.833 1.00 2.15 O ATOM 1452 CB ASN A 680 11.642 18.427 11.041 1.00 22.32 C ATOM 1453 CG ASN A 680 10.816 19.616 10.596 1.00 61.32 C ATOM 1454 OD1 ASN A 680 11.349 20.684 10.289 1.00 55.41 O ATOM 1455 ND2 ASN A 680 9.517 19.447 10.556 1.00 45.53 N ATOM 0 H ASN A 680 13.164 19.066 8.425 1.00 50.13 H new ATOM 0 HA ASN A 680 13.528 19.336 10.531 1.00 31.54 H new ATOM 0 HB2 ASN A 680 11.103 17.510 10.800 1.00 22.32 H new ATOM 0 HB3 ASN A 680 11.752 18.457 12.125 1.00 22.32 H new ATOM 0 HD21 ASN A 680 8.912 20.214 10.263 1.00 45.53 H new ATOM 0 HD22 ASN A 680 9.111 18.548 10.817 1.00 45.53 H new ATOM 1461 N ASN A 681 15.252 17.480 10.920 1.00 13.25 N ATOM 1462 CA ASN A 681 16.280 16.621 11.561 1.00 1.40 C ATOM 1463 C ASN A 681 17.639 16.981 10.963 1.00 11.32 C ATOM 1464 O ASN A 681 17.764 17.085 9.741 1.00 73.33 O ATOM 1465 CB ASN A 681 15.987 15.110 11.328 1.00 2.22 C ATOM 1466 CG ASN A 681 16.924 14.146 12.074 1.00 4.20 C ATOM 1467 OD1 ASN A 681 18.086 14.429 12.300 1.00 11.23 O ATOM 1468 ND2 ASN A 681 16.410 13.007 12.462 1.00 10.00 N ATOM 0 H ASN A 681 15.649 18.188 10.302 1.00 13.25 H new ATOM 0 HA ASN A 681 16.270 16.794 12.637 1.00 1.40 H new ATOM 0 HB2 ASN A 681 14.961 14.903 11.631 1.00 2.22 H new ATOM 0 HB3 ASN A 681 16.052 14.903 10.260 1.00 2.22 H new ATOM 0 HD21 ASN A 681 16.986 12.333 12.966 1.00 10.00 H new ATOM 0 HD22 ASN A 681 15.433 12.793 12.260 1.00 10.00 H new ATOM 1474 N GLU A 682 18.643 17.162 11.810 1.00 42.51 N ATOM 1475 CA GLU A 682 19.987 17.543 11.369 1.00 33.40 C ATOM 1476 C GLU A 682 20.666 16.400 10.605 1.00 2.54 C ATOM 1477 O GLU A 682 21.472 16.630 9.703 1.00 12.35 O ATOM 1478 CB GLU A 682 20.840 17.972 12.568 1.00 60.25 C ATOM 1479 CG GLU A 682 22.231 18.461 12.197 1.00 44.13 C ATOM 1480 CD GLU A 682 23.030 18.881 13.395 1.00 61.02 C ATOM 1481 OE1 GLU A 682 22.862 20.016 13.857 1.00 62.35 O ATOM 1482 OE2 GLU A 682 23.843 18.087 13.892 1.00 71.35 O ATOM 0 H GLU A 682 18.554 17.050 12.820 1.00 42.51 H new ATOM 0 HA GLU A 682 19.892 18.388 10.687 1.00 33.40 H new ATOM 0 HB2 GLU A 682 20.319 18.764 13.106 1.00 60.25 H new ATOM 0 HB3 GLU A 682 20.933 17.130 13.254 1.00 60.25 H new ATOM 0 HG2 GLU A 682 22.762 17.669 11.669 1.00 44.13 H new ATOM 0 HG3 GLU A 682 22.146 19.301 11.508 1.00 44.13 H new ATOM 1489 N LYS A 683 20.323 15.177 10.952 1.00 61.43 N ATOM 1490 CA LYS A 683 20.884 13.995 10.298 1.00 32.44 C ATOM 1491 C LYS A 683 20.140 13.743 8.996 1.00 74.45 C ATOM 1492 O LYS A 683 20.597 12.977 8.144 1.00 64.44 O ATOM 1493 CB LYS A 683 20.722 12.765 11.190 1.00 20.05 C ATOM 1494 CG LYS A 683 21.321 12.905 12.571 1.00 45.20 C ATOM 1495 CD LYS A 683 21.092 11.650 13.384 1.00 60.44 C ATOM 1496 CE LYS A 683 21.593 11.810 14.801 1.00 53.32 C ATOM 1497 NZ LYS A 683 21.392 10.583 15.595 1.00 32.23 N ATOM 0 H LYS A 683 19.652 14.966 11.690 1.00 61.43 H new ATOM 0 HA LYS A 683 21.943 14.171 10.109 1.00 32.44 H new ATOM 0 HB2 LYS A 683 19.660 12.543 11.290 1.00 20.05 H new ATOM 0 HB3 LYS A 683 21.181 11.910 10.694 1.00 20.05 H new ATOM 0 HG2 LYS A 683 22.390 13.102 12.491 1.00 45.20 H new ATOM 0 HG3 LYS A 683 20.877 13.760 13.080 1.00 45.20 H new ATOM 0 HD2 LYS A 683 20.028 11.413 13.398 1.00 60.44 H new ATOM 0 HD3 LYS A 683 21.600 10.810 12.910 1.00 60.44 H new ATOM 0 HE2 LYS A 683 22.653 12.063 14.785 1.00 53.32 H new ATOM 0 HE3 LYS A 683 21.074 12.641 15.278 1.00 53.32 H new ATOM 0 HZ1 LYS A 683 21.748 10.732 16.561 1.00 32.23 H new ATOM 0 HZ2 LYS A 683 20.378 10.355 15.631 1.00 32.23 H new ATOM 0 HZ3 LYS A 683 21.908 9.795 15.154 1.00 32.23 H new ATOM 1511 N ARG A 684 19.005 14.439 8.862 1.00 33.15 N ATOM 1512 CA ARG A 684 18.065 14.324 7.751 1.00 75.24 C ATOM 1513 C ARG A 684 17.312 13.013 7.787 1.00 4.32 C ATOM 1514 O ARG A 684 17.872 11.945 7.544 1.00 31.00 O ATOM 1515 CB ARG A 684 18.708 14.512 6.385 1.00 10.24 C ATOM 1516 CG ARG A 684 19.370 15.847 6.172 1.00 42.34 C ATOM 1517 CD ARG A 684 19.925 15.919 4.772 1.00 23.34 C ATOM 1518 NE ARG A 684 20.879 14.823 4.507 1.00 13.54 N ATOM 1519 CZ ARG A 684 20.914 14.092 3.374 1.00 33.03 C ATOM 1520 NH1 ARG A 684 20.105 14.395 2.358 1.00 33.31 N ATOM 1521 NH2 ARG A 684 21.773 13.079 3.258 1.00 40.25 N ATOM 0 H ARG A 684 18.708 15.125 9.556 1.00 33.15 H new ATOM 0 HA ARG A 684 17.362 15.145 7.891 1.00 75.24 H new ATOM 0 HB2 ARG A 684 19.451 13.728 6.239 1.00 10.24 H new ATOM 0 HB3 ARG A 684 17.945 14.375 5.619 1.00 10.24 H new ATOM 0 HG2 ARG A 684 18.651 16.650 6.331 1.00 42.34 H new ATOM 0 HG3 ARG A 684 20.170 15.988 6.899 1.00 42.34 H new ATOM 0 HD2 ARG A 684 19.107 15.872 4.053 1.00 23.34 H new ATOM 0 HD3 ARG A 684 20.422 16.878 4.626 1.00 23.34 H new ATOM 0 HE ARG A 684 21.561 14.603 5.233 1.00 13.54 H new ATOM 0 HH11 ARG A 684 19.459 15.180 2.437 1.00 33.31 H new ATOM 0 HH12 ARG A 684 20.132 13.841 1.502 1.00 33.31 H new ATOM 0 HH21 ARG A 684 22.405 12.856 4.027 1.00 40.25 H new ATOM 0 HH22 ARG A 684 21.798 12.527 2.400 1.00 40.25 H new ATOM 1533 N THR A 685 16.060 13.099 8.088 1.00 53.34 N ATOM 1534 CA THR A 685 15.227 11.945 8.089 1.00 54.43 C ATOM 1535 C THR A 685 14.203 12.072 6.967 1.00 21.43 C ATOM 1536 O THR A 685 13.446 13.056 6.906 1.00 15.33 O ATOM 1537 CB THR A 685 14.529 11.693 9.468 1.00 63.33 C ATOM 1538 OG1 THR A 685 13.705 10.517 9.404 1.00 50.12 O ATOM 1539 CG2 THR A 685 13.678 12.876 9.895 1.00 64.22 C ATOM 0 H THR A 685 15.587 13.967 8.339 1.00 53.34 H new ATOM 0 HA THR A 685 15.859 11.074 7.918 1.00 54.43 H new ATOM 0 HB THR A 685 15.318 11.553 10.207 1.00 63.33 H new ATOM 0 HG1 THR A 685 13.276 10.370 10.273 1.00 50.12 H new ATOM 0 HG21 THR A 685 13.211 12.660 10.856 1.00 64.22 H new ATOM 0 HG22 THR A 685 14.306 13.762 9.987 1.00 64.22 H new ATOM 0 HG23 THR A 685 12.904 13.056 9.149 1.00 64.22 H new ATOM 1545 N PRO A 686 14.199 11.133 6.029 1.00 0.11 N ATOM 1546 CA PRO A 686 13.232 11.124 4.967 1.00 34.33 C ATOM 1547 C PRO A 686 11.873 10.760 5.498 1.00 14.43 C ATOM 1548 O PRO A 686 11.754 9.921 6.404 1.00 44.13 O ATOM 1549 CB PRO A 686 13.719 10.038 4.001 1.00 63.23 C ATOM 1550 CG PRO A 686 15.068 9.635 4.484 1.00 54.33 C ATOM 1551 CD PRO A 686 15.135 10.011 5.933 1.00 64.41 C ATOM 0 HA PRO A 686 13.142 12.100 4.489 1.00 34.33 H new ATOM 0 HB2 PRO A 686 13.037 9.188 3.994 1.00 63.23 H new ATOM 0 HB3 PRO A 686 13.767 10.417 2.980 1.00 63.23 H new ATOM 0 HG2 PRO A 686 15.222 8.564 4.354 1.00 54.33 H new ATOM 0 HG3 PRO A 686 15.849 10.140 3.916 1.00 54.33 H new ATOM 0 HD2 PRO A 686 14.840 9.184 6.578 1.00 64.41 H new ATOM 0 HD3 PRO A 686 16.143 10.301 6.228 1.00 64.41 H new ATOM 1559 N ARG A 687 10.871 11.419 4.993 1.00 42.41 N ATOM 1560 CA ARG A 687 9.517 11.100 5.314 1.00 22.24 C ATOM 1561 C ARG A 687 9.253 9.666 4.837 1.00 40.03 C ATOM 1562 O ARG A 687 9.679 9.296 3.748 1.00 2.41 O ATOM 1563 CB ARG A 687 8.628 12.104 4.599 1.00 13.24 C ATOM 1564 CG ARG A 687 7.165 11.944 4.832 1.00 42.10 C ATOM 1565 CD ARG A 687 6.380 13.029 4.108 1.00 35.30 C ATOM 1566 NE ARG A 687 6.501 14.358 4.711 1.00 5.25 N ATOM 1567 CZ ARG A 687 7.167 15.406 4.200 1.00 34.45 C ATOM 1568 NH1 ARG A 687 8.026 15.246 3.213 1.00 54.41 N ATOM 1569 NH2 ARG A 687 7.001 16.607 4.728 1.00 64.14 N ATOM 0 H ARG A 687 10.975 12.198 4.343 1.00 42.41 H new ATOM 0 HA ARG A 687 9.314 11.154 6.384 1.00 22.24 H new ATOM 0 HB2 ARG A 687 8.920 13.107 4.909 1.00 13.24 H new ATOM 0 HB3 ARG A 687 8.818 12.033 3.528 1.00 13.24 H new ATOM 0 HG2 ARG A 687 6.842 10.962 4.485 1.00 42.10 H new ATOM 0 HG3 ARG A 687 6.955 11.989 5.901 1.00 42.10 H new ATOM 0 HD2 ARG A 687 6.719 13.079 3.073 1.00 35.30 H new ATOM 0 HD3 ARG A 687 5.327 12.747 4.085 1.00 35.30 H new ATOM 0 HE ARG A 687 6.034 14.502 5.606 1.00 5.25 H new ATOM 0 HH11 ARG A 687 8.192 14.317 2.827 1.00 54.41 H new ATOM 0 HH12 ARG A 687 8.524 16.052 2.835 1.00 54.41 H new ATOM 0 HH21 ARG A 687 6.370 16.733 5.519 1.00 64.14 H new ATOM 0 HH22 ARG A 687 7.504 17.407 4.344 1.00 64.14 H new ATOM 1581 N ALA A 688 8.603 8.875 5.649 1.00 2.35 N ATOM 1582 CA ALA A 688 8.406 7.466 5.332 1.00 22.20 C ATOM 1583 C ALA A 688 6.960 7.055 5.506 1.00 50.32 C ATOM 1584 O ALA A 688 6.203 7.712 6.216 1.00 74.31 O ATOM 1585 CB ALA A 688 9.308 6.606 6.209 1.00 14.12 C ATOM 0 H ALA A 688 8.197 9.172 6.536 1.00 2.35 H new ATOM 0 HA ALA A 688 8.669 7.315 4.285 1.00 22.20 H new ATOM 0 HB1 ALA A 688 9.156 5.554 5.967 1.00 14.12 H new ATOM 0 HB2 ALA A 688 10.350 6.872 6.031 1.00 14.12 H new ATOM 0 HB3 ALA A 688 9.065 6.776 7.258 1.00 14.12 H new ATOM 1591 N THR A 689 6.579 5.990 4.849 1.00 62.01 N ATOM 1592 CA THR A 689 5.243 5.449 4.942 1.00 74.11 C ATOM 1593 C THR A 689 5.286 3.935 5.091 1.00 62.33 C ATOM 1594 O THR A 689 5.967 3.242 4.327 1.00 73.31 O ATOM 1595 CB THR A 689 4.406 5.829 3.700 1.00 72.32 C ATOM 1596 OG1 THR A 689 4.267 7.230 3.657 1.00 25.45 O ATOM 1597 CG2 THR A 689 3.029 5.191 3.724 1.00 31.24 C ATOM 0 H THR A 689 7.194 5.466 4.226 1.00 62.01 H new ATOM 0 HA THR A 689 4.771 5.878 5.826 1.00 74.11 H new ATOM 0 HB THR A 689 4.926 5.461 2.816 1.00 72.32 H new ATOM 0 HG1 THR A 689 3.504 7.466 3.089 1.00 25.45 H new ATOM 0 HG21 THR A 689 2.476 5.486 2.832 1.00 31.24 H new ATOM 0 HG22 THR A 689 3.131 4.106 3.746 1.00 31.24 H new ATOM 0 HG23 THR A 689 2.490 5.523 4.611 1.00 31.24 H new ATOM 1603 N LEU A 690 4.582 3.431 6.078 1.00 31.22 N ATOM 1604 CA LEU A 690 4.492 2.047 6.300 1.00 74.01 C ATOM 1605 C LEU A 690 3.037 1.642 6.476 1.00 44.14 C ATOM 1606 O LEU A 690 2.308 2.206 7.311 1.00 15.32 O ATOM 1607 CB LEU A 690 5.390 1.631 7.491 1.00 15.11 C ATOM 1608 CG LEU A 690 5.382 0.149 7.873 1.00 62.13 C ATOM 1609 CD1 LEU A 690 6.628 -0.191 8.658 1.00 34.51 C ATOM 1610 CD2 LEU A 690 4.170 -0.188 8.729 1.00 73.24 C ATOM 0 H LEU A 690 4.057 3.996 6.745 1.00 31.22 H new ATOM 0 HA LEU A 690 4.867 1.508 5.430 1.00 74.01 H new ATOM 0 HB2 LEU A 690 6.416 1.917 7.260 1.00 15.11 H new ATOM 0 HB3 LEU A 690 5.087 2.209 8.364 1.00 15.11 H new ATOM 0 HG LEU A 690 5.345 -0.430 6.950 1.00 62.13 H new ATOM 0 HD11 LEU A 690 6.613 -1.248 8.925 1.00 34.51 H new ATOM 0 HD12 LEU A 690 7.509 0.017 8.051 1.00 34.51 H new ATOM 0 HD13 LEU A 690 6.662 0.412 9.565 1.00 34.51 H new ATOM 0 HD21 LEU A 690 4.189 -1.247 8.986 1.00 73.24 H new ATOM 0 HD22 LEU A 690 4.192 0.407 9.642 1.00 73.24 H new ATOM 0 HD23 LEU A 690 3.259 0.034 8.173 1.00 73.24 H new ATOM 1618 N ILE A 691 2.625 0.677 5.692 1.00 30.44 N ATOM 1619 CA ILE A 691 1.270 0.160 5.731 1.00 2.45 C ATOM 1620 C ILE A 691 1.268 -1.115 6.549 1.00 4.45 C ATOM 1621 O ILE A 691 2.104 -1.983 6.328 1.00 72.22 O ATOM 1622 CB ILE A 691 0.710 -0.218 4.306 1.00 14.41 C ATOM 1623 CG1 ILE A 691 0.600 0.950 3.318 1.00 2.31 C ATOM 1624 CG2 ILE A 691 -0.639 -0.892 4.413 1.00 31.31 C ATOM 1625 CD1 ILE A 691 1.903 1.617 2.918 1.00 70.54 C ATOM 0 H ILE A 691 3.222 0.221 5.002 1.00 30.44 H new ATOM 0 HA ILE A 691 0.644 0.946 6.154 1.00 2.45 H new ATOM 0 HB ILE A 691 1.458 -0.900 3.901 1.00 14.41 H new ATOM 0 HG12 ILE A 691 0.109 0.589 2.414 1.00 2.31 H new ATOM 0 HG13 ILE A 691 -0.052 1.707 3.754 1.00 2.31 H new ATOM 0 HG21 ILE A 691 -1.001 -1.142 3.416 1.00 31.31 H new ATOM 0 HG22 ILE A 691 -0.545 -1.803 5.003 1.00 31.31 H new ATOM 0 HG23 ILE A 691 -1.345 -0.218 4.897 1.00 31.31 H new ATOM 0 HD11 ILE A 691 1.697 2.427 2.218 1.00 70.54 H new ATOM 0 HD12 ILE A 691 2.393 2.020 3.805 1.00 70.54 H new ATOM 0 HD13 ILE A 691 2.556 0.884 2.444 1.00 70.54 H new ATOM 1632 N THR A 692 0.366 -1.213 7.466 1.00 53.11 N ATOM 1633 CA THR A 692 0.181 -2.398 8.236 1.00 15.33 C ATOM 1634 C THR A 692 -1.087 -3.117 7.688 1.00 72.54 C ATOM 1635 O THR A 692 -2.202 -2.573 7.780 1.00 75.11 O ATOM 1636 CB THR A 692 -0.052 -2.015 9.721 1.00 31.30 C ATOM 1637 OG1 THR A 692 1.034 -1.182 10.193 1.00 64.14 O ATOM 1638 CG2 THR A 692 -0.122 -3.257 10.592 1.00 74.22 C ATOM 0 H THR A 692 -0.276 -0.458 7.707 1.00 53.11 H new ATOM 0 HA THR A 692 1.056 -3.044 8.168 1.00 15.33 H new ATOM 0 HB THR A 692 -0.996 -1.474 9.785 1.00 31.30 H new ATOM 0 HG1 THR A 692 0.879 -0.943 11.131 1.00 64.14 H new ATOM 0 HG21 THR A 692 -0.286 -2.965 11.629 1.00 74.22 H new ATOM 0 HG22 THR A 692 -0.945 -3.889 10.259 1.00 74.22 H new ATOM 0 HG23 THR A 692 0.814 -3.809 10.514 1.00 74.22 H new ATOM 1644 N PHE A 693 -0.920 -4.295 7.099 1.00 13.40 N ATOM 1645 CA PHE A 693 -2.059 -5.034 6.552 1.00 52.40 C ATOM 1646 C PHE A 693 -2.656 -5.911 7.613 1.00 13.11 C ATOM 1647 O PHE A 693 -1.974 -6.763 8.196 1.00 72.12 O ATOM 1648 CB PHE A 693 -1.684 -5.919 5.330 1.00 40.05 C ATOM 1649 CG PHE A 693 -1.160 -5.170 4.130 1.00 51.12 C ATOM 1650 CD1 PHE A 693 0.171 -4.833 4.041 1.00 14.44 C ATOM 1651 CD2 PHE A 693 -2.013 -4.785 3.101 1.00 74.01 C ATOM 1652 CE1 PHE A 693 0.650 -4.122 2.956 1.00 70.35 C ATOM 1653 CE2 PHE A 693 -1.528 -4.078 2.013 1.00 64.24 C ATOM 1654 CZ PHE A 693 -0.201 -3.745 1.947 1.00 11.53 C ATOM 0 H PHE A 693 -0.018 -4.758 6.987 1.00 13.40 H new ATOM 0 HA PHE A 693 -2.775 -4.286 6.212 1.00 52.40 H new ATOM 0 HB2 PHE A 693 -0.932 -6.643 5.643 1.00 40.05 H new ATOM 0 HB3 PHE A 693 -2.565 -6.486 5.028 1.00 40.05 H new ATOM 0 HD1 PHE A 693 0.850 -5.127 4.828 1.00 14.44 H new ATOM 0 HD2 PHE A 693 -3.061 -5.039 3.151 1.00 74.01 H new ATOM 0 HE1 PHE A 693 1.697 -3.862 2.902 1.00 70.35 H new ATOM 0 HE2 PHE A 693 -2.197 -3.789 1.216 1.00 64.24 H new ATOM 0 HZ PHE A 693 0.175 -3.187 1.102 1.00 11.53 H new ATOM 1664 N LEU A 694 -3.912 -5.691 7.864 1.00 5.32 N ATOM 1665 CA LEU A 694 -4.666 -6.439 8.821 1.00 13.11 C ATOM 1666 C LEU A 694 -5.817 -7.097 8.110 1.00 24.20 C ATOM 1667 O LEU A 694 -6.300 -6.588 7.104 1.00 40.10 O ATOM 1668 CB LEU A 694 -5.188 -5.516 9.934 1.00 11.43 C ATOM 1669 CG LEU A 694 -4.121 -4.815 10.784 1.00 4.34 C ATOM 1670 CD1 LEU A 694 -4.770 -3.882 11.785 1.00 45.12 C ATOM 1671 CD2 LEU A 694 -3.260 -5.838 11.504 1.00 30.11 C ATOM 0 H LEU A 694 -4.454 -4.966 7.395 1.00 5.32 H new ATOM 0 HA LEU A 694 -4.030 -7.195 9.282 1.00 13.11 H new ATOM 0 HB2 LEU A 694 -5.820 -4.753 9.479 1.00 11.43 H new ATOM 0 HB3 LEU A 694 -5.824 -6.103 10.597 1.00 11.43 H new ATOM 0 HG LEU A 694 -3.485 -4.228 10.121 1.00 4.34 H new ATOM 0 HD11 LEU A 694 -3.999 -3.393 12.380 1.00 45.12 H new ATOM 0 HD12 LEU A 694 -5.352 -3.128 11.255 1.00 45.12 H new ATOM 0 HD13 LEU A 694 -5.427 -4.453 12.441 1.00 45.12 H new ATOM 0 HD21 LEU A 694 -2.508 -5.324 12.103 1.00 30.11 H new ATOM 0 HD22 LEU A 694 -3.887 -6.448 12.155 1.00 30.11 H new ATOM 0 HD23 LEU A 694 -2.766 -6.478 10.772 1.00 30.11 H new ATOM 1679 N CYS A 695 -6.244 -8.206 8.605 1.00 34.31 N ATOM 1680 CA CYS A 695 -7.318 -8.948 7.987 1.00 13.13 C ATOM 1681 C CYS A 695 -8.577 -8.798 8.842 1.00 3.12 C ATOM 1682 O CYS A 695 -9.433 -9.680 8.891 1.00 43.33 O ATOM 1683 CB CYS A 695 -6.897 -10.414 7.894 1.00 3.03 C ATOM 1684 SG CYS A 695 -7.999 -11.483 6.914 1.00 31.04 S ATOM 0 H CYS A 695 -5.867 -8.635 9.450 1.00 34.31 H new ATOM 0 HA CYS A 695 -7.530 -8.572 6.986 1.00 13.13 H new ATOM 0 HB2 CYS A 695 -5.897 -10.460 7.464 1.00 3.03 H new ATOM 0 HB3 CYS A 695 -6.829 -10.820 8.903 1.00 3.03 H new ATOM 1689 N ASP A 696 -8.696 -7.651 9.485 1.00 25.01 N ATOM 1690 CA ASP A 696 -9.822 -7.385 10.369 1.00 23.43 C ATOM 1691 C ASP A 696 -11.121 -7.220 9.603 1.00 4.04 C ATOM 1692 O ASP A 696 -11.279 -6.281 8.802 1.00 31.31 O ATOM 1693 CB ASP A 696 -9.562 -6.149 11.237 1.00 43.44 C ATOM 1694 CG ASP A 696 -10.736 -5.795 12.134 1.00 32.11 C ATOM 1695 OD1 ASP A 696 -10.844 -6.361 13.235 1.00 1.15 O ATOM 1696 OD2 ASP A 696 -11.536 -4.929 11.771 1.00 51.21 O ATOM 0 H ASP A 696 -8.026 -6.885 9.413 1.00 25.01 H new ATOM 0 HA ASP A 696 -9.925 -8.255 11.017 1.00 23.43 H new ATOM 0 HB2 ASP A 696 -8.681 -6.324 11.854 1.00 43.44 H new ATOM 0 HB3 ASP A 696 -9.336 -5.300 10.592 1.00 43.44 H new ATOM 1745 N GLY A 700 -12.692 -7.149 1.834 1.00 43.45 N ATOM 1746 CA GLY A 700 -12.408 -7.468 0.450 1.00 12.25 C ATOM 1747 C GLY A 700 -10.965 -7.235 0.077 1.00 33.32 C ATOM 1748 O GLY A 700 -10.051 -7.798 0.699 1.00 63.32 O ATOM 0 HA2 GLY A 700 -12.662 -8.511 0.264 1.00 12.25 H new ATOM 0 HA3 GLY A 700 -13.047 -6.864 -0.195 1.00 12.25 H new ATOM 1752 N VAL A 701 -10.759 -6.384 -0.908 1.00 1.14 N ATOM 1753 CA VAL A 701 -9.431 -6.072 -1.419 1.00 1.54 C ATOM 1754 C VAL A 701 -8.677 -5.211 -0.411 1.00 52.24 C ATOM 1755 O VAL A 701 -7.446 -5.278 -0.298 1.00 40.03 O ATOM 1756 CB VAL A 701 -9.519 -5.332 -2.781 1.00 44.35 C ATOM 1757 CG1 VAL A 701 -8.135 -5.045 -3.352 1.00 53.12 C ATOM 1758 CG2 VAL A 701 -10.358 -6.126 -3.772 1.00 42.52 C ATOM 0 H VAL A 701 -11.511 -5.884 -1.382 1.00 1.14 H new ATOM 0 HA VAL A 701 -8.894 -7.008 -1.571 1.00 1.54 H new ATOM 0 HB VAL A 701 -10.008 -4.374 -2.605 1.00 44.35 H new ATOM 0 HG11 VAL A 701 -8.235 -4.526 -4.305 1.00 53.12 H new ATOM 0 HG12 VAL A 701 -7.577 -4.419 -2.656 1.00 53.12 H new ATOM 0 HG13 VAL A 701 -7.602 -5.984 -3.504 1.00 53.12 H new ATOM 0 HG21 VAL A 701 -10.407 -5.589 -4.720 1.00 42.52 H new ATOM 0 HG22 VAL A 701 -9.904 -7.104 -3.932 1.00 42.52 H new ATOM 0 HG23 VAL A 701 -11.365 -6.254 -3.375 1.00 42.52 H new ATOM 1764 N GLY A 702 -9.418 -4.446 0.338 1.00 1.23 N ATOM 1765 CA GLY A 702 -8.842 -3.614 1.327 1.00 14.33 C ATOM 1766 C GLY A 702 -8.604 -2.208 0.881 1.00 5.22 C ATOM 1767 O GLY A 702 -8.171 -1.961 -0.248 1.00 55.32 O ATOM 0 H GLY A 702 -10.434 -4.389 0.272 1.00 1.23 H new ATOM 0 HA2 GLY A 702 -9.495 -3.601 2.200 1.00 14.33 H new ATOM 0 HA3 GLY A 702 -7.894 -4.048 1.644 1.00 14.33 H new ATOM 1771 N PHE A 703 -8.902 -1.295 1.747 1.00 70.32 N ATOM 1772 CA PHE A 703 -8.653 0.095 1.518 1.00 13.10 C ATOM 1773 C PHE A 703 -7.666 0.585 2.581 1.00 10.14 C ATOM 1774 O PHE A 703 -7.819 0.242 3.759 1.00 2.33 O ATOM 1775 CB PHE A 703 -9.978 0.882 1.577 1.00 30.41 C ATOM 1776 CG PHE A 703 -9.829 2.358 1.353 1.00 34.41 C ATOM 1777 CD1 PHE A 703 -9.609 2.860 0.082 1.00 64.31 C ATOM 1778 CD2 PHE A 703 -9.915 3.245 2.414 1.00 33.32 C ATOM 1779 CE1 PHE A 703 -9.472 4.217 -0.124 1.00 42.34 C ATOM 1780 CE2 PHE A 703 -9.779 4.600 2.213 1.00 33.11 C ATOM 1781 CZ PHE A 703 -9.556 5.088 0.945 1.00 4.25 C ATOM 0 H PHE A 703 -9.333 -1.495 2.650 1.00 70.32 H new ATOM 0 HA PHE A 703 -8.222 0.252 0.529 1.00 13.10 H new ATOM 0 HB2 PHE A 703 -10.660 0.480 0.828 1.00 30.41 H new ATOM 0 HB3 PHE A 703 -10.441 0.719 2.550 1.00 30.41 H new ATOM 0 HD1 PHE A 703 -9.544 2.183 -0.757 1.00 64.31 H new ATOM 0 HD2 PHE A 703 -10.091 2.869 3.411 1.00 33.32 H new ATOM 0 HE1 PHE A 703 -9.299 4.598 -1.120 1.00 42.34 H new ATOM 0 HE2 PHE A 703 -9.847 5.280 3.049 1.00 33.11 H new ATOM 0 HZ PHE A 703 -9.447 6.151 0.786 1.00 4.25 H new ATOM 1791 N PRO A 704 -6.620 1.330 2.194 1.00 3.22 N ATOM 1792 CA PRO A 704 -5.672 1.881 3.158 1.00 34.12 C ATOM 1793 C PRO A 704 -6.276 3.056 3.915 1.00 50.53 C ATOM 1794 O PRO A 704 -6.911 3.926 3.328 1.00 2.22 O ATOM 1795 CB PRO A 704 -4.510 2.358 2.288 1.00 23.43 C ATOM 1796 CG PRO A 704 -5.109 2.614 0.948 1.00 13.21 C ATOM 1797 CD PRO A 704 -6.276 1.675 0.809 1.00 0.44 C ATOM 0 HA PRO A 704 -5.378 1.152 3.913 1.00 34.12 H new ATOM 0 HB2 PRO A 704 -4.057 3.261 2.696 1.00 23.43 H new ATOM 0 HB3 PRO A 704 -3.724 1.604 2.231 1.00 23.43 H new ATOM 0 HG2 PRO A 704 -5.434 3.651 0.861 1.00 13.21 H new ATOM 0 HG3 PRO A 704 -4.378 2.442 0.158 1.00 13.21 H new ATOM 0 HD2 PRO A 704 -7.112 2.150 0.296 1.00 0.44 H new ATOM 0 HD3 PRO A 704 -6.010 0.790 0.231 1.00 0.44 H new ATOM 1805 N GLU A 705 -6.064 3.082 5.190 1.00 23.21 N ATOM 1806 CA GLU A 705 -6.600 4.105 6.033 1.00 4.42 C ATOM 1807 C GLU A 705 -5.511 4.741 6.877 1.00 60.14 C ATOM 1808 O GLU A 705 -4.524 4.089 7.234 1.00 2.12 O ATOM 1809 CB GLU A 705 -7.724 3.532 6.890 1.00 21.31 C ATOM 1810 CG GLU A 705 -8.952 3.127 6.073 1.00 31.24 C ATOM 1811 CD GLU A 705 -10.081 2.595 6.917 1.00 34.44 C ATOM 1812 OE1 GLU A 705 -10.676 3.381 7.687 1.00 61.22 O ATOM 1813 OE2 GLU A 705 -10.430 1.400 6.795 1.00 63.14 O ATOM 0 H GLU A 705 -5.507 2.385 5.684 1.00 23.21 H new ATOM 0 HA GLU A 705 -7.019 4.896 5.411 1.00 4.42 H new ATOM 0 HB2 GLU A 705 -7.353 2.663 7.432 1.00 21.31 H new ATOM 0 HB3 GLU A 705 -8.018 4.271 7.635 1.00 21.31 H new ATOM 0 HG2 GLU A 705 -9.305 3.990 5.509 1.00 31.24 H new ATOM 0 HG3 GLU A 705 -8.662 2.368 5.346 1.00 31.24 H new ATOM 1820 N TYR A 706 -5.705 6.001 7.200 1.00 23.32 N ATOM 1821 CA TYR A 706 -4.740 6.799 7.929 1.00 61.14 C ATOM 1822 C TYR A 706 -4.749 6.373 9.390 1.00 53.51 C ATOM 1823 O TYR A 706 -5.734 6.577 10.111 1.00 32.13 O ATOM 1824 CB TYR A 706 -5.134 8.279 7.756 1.00 3.30 C ATOM 1825 CG TYR A 706 -4.159 9.331 8.258 1.00 43.12 C ATOM 1826 CD1 TYR A 706 -2.829 9.324 7.867 1.00 24.14 C ATOM 1827 CD2 TYR A 706 -4.596 10.381 9.062 1.00 43.12 C ATOM 1828 CE1 TYR A 706 -1.965 10.328 8.261 1.00 43.24 C ATOM 1829 CE2 TYR A 706 -3.732 11.379 9.469 1.00 34.14 C ATOM 1830 CZ TYR A 706 -2.426 11.350 9.062 1.00 24.44 C ATOM 1831 OH TYR A 706 -1.582 12.369 9.421 1.00 50.12 O ATOM 0 H TYR A 706 -6.555 6.511 6.959 1.00 23.32 H new ATOM 0 HA TYR A 706 -3.727 6.657 7.553 1.00 61.14 H new ATOM 0 HB2 TYR A 706 -5.305 8.459 6.695 1.00 3.30 H new ATOM 0 HB3 TYR A 706 -6.086 8.434 8.263 1.00 3.30 H new ATOM 0 HD1 TYR A 706 -2.462 8.521 7.245 1.00 24.14 H new ATOM 0 HD2 TYR A 706 -5.630 10.416 9.373 1.00 43.12 H new ATOM 0 HE1 TYR A 706 -0.933 10.312 7.943 1.00 43.24 H new ATOM 0 HE2 TYR A 706 -4.085 12.177 10.105 1.00 34.14 H new ATOM 0 HH TYR A 706 -2.063 13.009 9.986 1.00 50.12 H new ATOM 1841 N GLN A 707 -3.669 5.741 9.804 1.00 5.33 N ATOM 1842 CA GLN A 707 -3.554 5.187 11.142 1.00 64.54 C ATOM 1843 C GLN A 707 -3.298 6.336 12.117 1.00 72.21 C ATOM 1844 O GLN A 707 -4.095 6.585 13.019 1.00 61.34 O ATOM 1845 CB GLN A 707 -2.397 4.157 11.140 1.00 0.24 C ATOM 1846 CG GLN A 707 -2.316 3.149 12.293 1.00 5.14 C ATOM 1847 CD GLN A 707 -2.109 3.738 13.653 1.00 70.22 C ATOM 1848 OE1 GLN A 707 -3.070 4.063 14.354 1.00 4.32 O ATOM 1849 NE2 GLN A 707 -0.877 3.821 14.055 1.00 53.20 N ATOM 0 H GLN A 707 -2.844 5.596 9.222 1.00 5.33 H new ATOM 0 HA GLN A 707 -4.465 4.676 11.452 1.00 64.54 H new ATOM 0 HB2 GLN A 707 -2.456 3.593 10.209 1.00 0.24 H new ATOM 0 HB3 GLN A 707 -1.459 4.712 11.117 1.00 0.24 H new ATOM 0 HG2 GLN A 707 -3.236 2.564 12.306 1.00 5.14 H new ATOM 0 HG3 GLN A 707 -1.500 2.455 12.089 1.00 5.14 H new ATOM 0 HE21 GLN A 707 -0.118 3.539 13.435 1.00 53.20 H new ATOM 0 HE22 GLN A 707 -0.668 4.168 14.991 1.00 53.20 H new ATOM 1912 N SER A 712 7.824 12.127 11.211 1.00 62.33 N ATOM 1913 CA SER A 712 8.327 11.940 9.862 1.00 53.41 C ATOM 1914 C SER A 712 7.716 10.703 9.192 1.00 4.30 C ATOM 1915 O SER A 712 7.560 10.659 7.965 1.00 61.05 O ATOM 1916 CB SER A 712 9.843 11.845 9.871 1.00 51.04 C ATOM 1917 OG SER A 712 10.414 12.969 10.537 1.00 54.21 O ATOM 0 HA SER A 712 8.029 12.810 9.276 1.00 53.41 H new ATOM 0 HB2 SER A 712 10.152 10.926 10.368 1.00 51.04 H new ATOM 0 HB3 SER A 712 10.215 11.794 8.848 1.00 51.04 H new ATOM 0 HG SER A 712 9.830 13.244 11.274 1.00 54.21 H new ATOM 1923 N THR A 713 7.372 9.718 9.983 1.00 60.31 N ATOM 1924 CA THR A 713 6.814 8.494 9.472 1.00 43.01 C ATOM 1925 C THR A 713 5.270 8.606 9.406 1.00 12.12 C ATOM 1926 O THR A 713 4.656 9.353 10.161 1.00 3.13 O ATOM 1927 CB THR A 713 7.203 7.324 10.418 1.00 43.51 C ATOM 1928 OG1 THR A 713 8.617 7.365 10.679 1.00 55.43 O ATOM 1929 CG2 THR A 713 6.859 5.970 9.800 1.00 72.03 C ATOM 0 H THR A 713 7.471 9.743 10.998 1.00 60.31 H new ATOM 0 HA THR A 713 7.203 8.309 8.471 1.00 43.01 H new ATOM 0 HB THR A 713 6.639 7.441 11.343 1.00 43.51 H new ATOM 0 HG1 THR A 713 8.861 6.628 11.277 1.00 55.43 H new ATOM 0 HG21 THR A 713 7.144 5.173 10.487 1.00 72.03 H new ATOM 0 HG22 THR A 713 5.787 5.919 9.610 1.00 72.03 H new ATOM 0 HG23 THR A 713 7.400 5.850 8.862 1.00 72.03 H new ATOM 1935 N TYR A 714 4.669 7.923 8.481 1.00 71.55 N ATOM 1936 CA TYR A 714 3.237 7.835 8.410 1.00 72.42 C ATOM 1937 C TYR A 714 2.826 6.378 8.348 1.00 13.12 C ATOM 1938 O TYR A 714 3.335 5.605 7.529 1.00 22.12 O ATOM 1939 CB TYR A 714 2.679 8.655 7.238 1.00 3.41 C ATOM 1940 CG TYR A 714 2.900 10.153 7.402 1.00 44.12 C ATOM 1941 CD1 TYR A 714 4.062 10.760 6.953 1.00 15.10 C ATOM 1942 CD2 TYR A 714 1.946 10.951 8.017 1.00 41.33 C ATOM 1943 CE1 TYR A 714 4.271 12.111 7.106 1.00 40.21 C ATOM 1944 CE2 TYR A 714 2.145 12.310 8.174 1.00 24.54 C ATOM 1945 CZ TYR A 714 3.310 12.885 7.718 1.00 74.41 C ATOM 1946 OH TYR A 714 3.517 14.242 7.880 1.00 21.31 O ATOM 0 H TYR A 714 5.157 7.407 7.749 1.00 71.55 H new ATOM 0 HA TYR A 714 2.805 8.272 9.310 1.00 72.42 H new ATOM 0 HB2 TYR A 714 3.150 8.323 6.313 1.00 3.41 H new ATOM 0 HB3 TYR A 714 1.611 8.459 7.141 1.00 3.41 H new ATOM 0 HD1 TYR A 714 4.820 10.159 6.472 1.00 15.10 H new ATOM 0 HD2 TYR A 714 1.033 10.503 8.379 1.00 41.33 H new ATOM 0 HE1 TYR A 714 5.184 12.563 6.748 1.00 40.21 H new ATOM 0 HE2 TYR A 714 1.391 12.917 8.652 1.00 24.54 H new ATOM 0 HH TYR A 714 4.469 14.411 8.037 1.00 21.31 H new ATOM 1956 N ASN A 715 1.941 5.999 9.241 1.00 21.01 N ATOM 1957 CA ASN A 715 1.491 4.622 9.360 1.00 1.43 C ATOM 1958 C ASN A 715 0.082 4.518 8.833 1.00 0.43 C ATOM 1959 O ASN A 715 -0.731 5.436 9.021 1.00 1.10 O ATOM 1960 CB ASN A 715 1.570 4.169 10.831 1.00 60.41 C ATOM 1961 CG ASN A 715 1.213 2.690 11.071 1.00 21.15 C ATOM 1962 OD1 ASN A 715 0.692 2.349 12.127 1.00 42.51 O ATOM 1963 ND2 ASN A 715 1.518 1.810 10.125 1.00 14.45 N ATOM 0 H ASN A 715 1.508 6.636 9.910 1.00 21.01 H new ATOM 0 HA ASN A 715 2.134 3.966 8.773 1.00 1.43 H new ATOM 0 HB2 ASN A 715 2.580 4.349 11.198 1.00 60.41 H new ATOM 0 HB3 ASN A 715 0.900 4.791 11.425 1.00 60.41 H new ATOM 0 HD21 ASN A 715 1.319 0.820 10.267 1.00 14.45 H new ATOM 0 HD22 ASN A 715 1.951 2.124 9.257 1.00 14.45 H new ATOM 1969 N PHE A 716 -0.202 3.440 8.155 1.00 73.23 N ATOM 1970 CA PHE A 716 -1.487 3.220 7.549 1.00 1.41 C ATOM 1971 C PHE A 716 -2.005 1.846 7.849 1.00 62.53 C ATOM 1972 O PHE A 716 -1.244 0.895 7.906 1.00 60.11 O ATOM 1973 CB PHE A 716 -1.391 3.442 6.036 1.00 73.13 C ATOM 1974 CG PHE A 716 -1.219 4.883 5.678 1.00 43.14 C ATOM 1975 CD1 PHE A 716 -2.319 5.692 5.467 1.00 40.13 C ATOM 1976 CD2 PHE A 716 0.040 5.439 5.574 1.00 55.43 C ATOM 1977 CE1 PHE A 716 -2.166 7.023 5.160 1.00 53.54 C ATOM 1978 CE2 PHE A 716 0.201 6.769 5.264 1.00 41.50 C ATOM 1979 CZ PHE A 716 -0.904 7.560 5.057 1.00 41.21 C ATOM 0 H PHE A 716 0.461 2.679 8.006 1.00 73.23 H new ATOM 0 HA PHE A 716 -2.193 3.935 7.972 1.00 1.41 H new ATOM 0 HB2 PHE A 716 -0.551 2.870 5.641 1.00 73.13 H new ATOM 0 HB3 PHE A 716 -2.292 3.057 5.558 1.00 73.13 H new ATOM 0 HD1 PHE A 716 -3.312 5.273 5.544 1.00 40.13 H new ATOM 0 HD2 PHE A 716 0.910 4.821 5.738 1.00 55.43 H new ATOM 0 HE1 PHE A 716 -3.034 7.645 5.000 1.00 53.54 H new ATOM 0 HE2 PHE A 716 1.192 7.191 5.183 1.00 41.50 H new ATOM 0 HZ PHE A 716 -0.781 8.605 4.813 1.00 41.21 H new ATOM 1989 N ARG A 717 -3.295 1.749 8.053 1.00 42.02 N ATOM 1990 CA ARG A 717 -3.931 0.477 8.289 1.00 42.35 C ATOM 1991 C ARG A 717 -4.623 0.065 7.041 1.00 64.44 C ATOM 1992 O ARG A 717 -5.391 0.826 6.479 1.00 34.22 O ATOM 1993 CB ARG A 717 -4.959 0.535 9.423 1.00 3.05 C ATOM 1994 CG ARG A 717 -4.401 0.944 10.756 1.00 42.32 C ATOM 1995 CD ARG A 717 -5.459 0.849 11.845 1.00 31.24 C ATOM 1996 NE ARG A 717 -4.968 1.299 13.155 1.00 21.30 N ATOM 1997 CZ ARG A 717 -4.828 0.515 14.239 1.00 41.34 C ATOM 1998 NH1 ARG A 717 -5.092 -0.791 14.164 1.00 5.22 N ATOM 1999 NH2 ARG A 717 -4.423 1.044 15.395 1.00 14.04 N ATOM 0 H ARG A 717 -3.932 2.546 8.060 1.00 42.02 H new ATOM 0 HA ARG A 717 -3.160 -0.236 8.581 1.00 42.35 H new ATOM 0 HB2 ARG A 717 -5.748 1.234 9.145 1.00 3.05 H new ATOM 0 HB3 ARG A 717 -5.424 -0.446 9.524 1.00 3.05 H new ATOM 0 HG2 ARG A 717 -3.554 0.306 11.010 1.00 42.32 H new ATOM 0 HG3 ARG A 717 -4.025 1.965 10.698 1.00 42.32 H new ATOM 0 HD2 ARG A 717 -6.323 1.449 11.560 1.00 31.24 H new ATOM 0 HD3 ARG A 717 -5.801 -0.183 11.925 1.00 31.24 H new ATOM 0 HE ARG A 717 -4.714 2.282 13.250 1.00 21.30 H new ATOM 0 HH11 ARG A 717 -5.401 -1.199 13.282 1.00 5.22 H new ATOM 0 HH12 ARG A 717 -4.984 -1.381 14.989 1.00 5.22 H new ATOM 0 HH21 ARG A 717 -4.220 2.042 15.456 1.00 14.04 H new ATOM 0 HH22 ARG A 717 -4.316 0.451 16.218 1.00 14.04 H new ATOM 2011 N TRP A 718 -4.350 -1.089 6.599 1.00 71.21 N ATOM 2012 CA TRP A 718 -4.976 -1.598 5.426 1.00 34.11 C ATOM 2013 C TRP A 718 -5.690 -2.860 5.826 1.00 31.00 C ATOM 2014 O TRP A 718 -5.058 -3.837 6.212 1.00 24.24 O ATOM 2015 CB TRP A 718 -3.907 -1.904 4.372 1.00 62.20 C ATOM 2016 CG TRP A 718 -4.413 -2.196 2.985 1.00 54.35 C ATOM 2017 CD1 TRP A 718 -5.348 -3.117 2.615 1.00 23.43 C ATOM 2018 CD2 TRP A 718 -3.952 -1.588 1.769 1.00 51.41 C ATOM 2019 NE1 TRP A 718 -5.520 -3.094 1.256 1.00 43.31 N ATOM 2020 CE2 TRP A 718 -4.674 -2.169 0.714 1.00 61.43 C ATOM 2021 CE3 TRP A 718 -3.000 -0.596 1.471 1.00 14.34 C ATOM 2022 CZ2 TRP A 718 -4.485 -1.801 -0.608 1.00 14.14 C ATOM 2023 CZ3 TRP A 718 -2.816 -0.234 0.153 1.00 22.51 C ATOM 2024 CH2 TRP A 718 -3.555 -0.834 -0.868 1.00 75.23 C ATOM 0 H TRP A 718 -3.682 -1.725 7.034 1.00 71.21 H new ATOM 0 HA TRP A 718 -5.676 -0.878 5.001 1.00 34.11 H new ATOM 0 HB2 TRP A 718 -3.225 -1.055 4.317 1.00 62.20 H new ATOM 0 HB3 TRP A 718 -3.324 -2.760 4.712 1.00 62.20 H new ATOM 0 HD1 TRP A 718 -5.876 -3.770 3.294 1.00 23.43 H new ATOM 0 HE1 TRP A 718 -6.175 -3.675 0.733 1.00 43.31 H new ATOM 0 HE3 TRP A 718 -2.426 -0.128 2.257 1.00 14.34 H new ATOM 0 HZ2 TRP A 718 -5.052 -2.261 -1.404 1.00 14.14 H new ATOM 0 HZ3 TRP A 718 -2.089 0.526 -0.093 1.00 22.51 H new ATOM 0 HH2 TRP A 718 -3.388 -0.526 -1.890 1.00 75.23 H new ATOM 2035 N TYR A 719 -6.981 -2.837 5.778 1.00 34.42 N ATOM 2036 CA TYR A 719 -7.753 -3.996 6.134 1.00 52.31 C ATOM 2037 C TYR A 719 -8.108 -4.745 4.885 1.00 22.15 C ATOM 2038 O TYR A 719 -8.879 -4.267 4.090 1.00 71.42 O ATOM 2039 CB TYR A 719 -9.018 -3.600 6.882 1.00 21.42 C ATOM 2040 CG TYR A 719 -8.772 -2.818 8.152 1.00 45.33 C ATOM 2041 CD1 TYR A 719 -8.321 -3.448 9.297 1.00 42.32 C ATOM 2042 CD2 TYR A 719 -8.997 -1.450 8.203 1.00 54.33 C ATOM 2043 CE1 TYR A 719 -8.102 -2.740 10.460 1.00 73.34 C ATOM 2044 CE2 TYR A 719 -8.783 -0.735 9.360 1.00 24.12 C ATOM 2045 CZ TYR A 719 -8.338 -1.384 10.484 1.00 72.33 C ATOM 2046 OH TYR A 719 -8.132 -0.674 11.640 1.00 73.14 O ATOM 0 H TYR A 719 -7.532 -2.027 5.495 1.00 34.42 H new ATOM 0 HA TYR A 719 -7.160 -4.630 6.793 1.00 52.31 H new ATOM 0 HB2 TYR A 719 -9.647 -3.005 6.219 1.00 21.42 H new ATOM 0 HB3 TYR A 719 -9.578 -4.502 7.128 1.00 21.42 H new ATOM 0 HD1 TYR A 719 -8.137 -4.512 9.280 1.00 42.32 H new ATOM 0 HD2 TYR A 719 -9.346 -0.937 7.319 1.00 54.33 H new ATOM 0 HE1 TYR A 719 -7.748 -3.246 11.346 1.00 73.34 H new ATOM 0 HE2 TYR A 719 -8.964 0.329 9.383 1.00 24.12 H new ATOM 0 HH TYR A 719 -8.344 0.270 11.486 1.00 73.14 H new ATOM 2056 N THR A 720 -7.508 -5.883 4.694 1.00 62.12 N ATOM 2057 CA THR A 720 -7.733 -6.675 3.518 1.00 64.22 C ATOM 2058 C THR A 720 -7.942 -8.149 3.864 1.00 22.32 C ATOM 2059 O THR A 720 -7.315 -8.677 4.783 1.00 53.12 O ATOM 2060 CB THR A 720 -6.588 -6.511 2.478 1.00 71.52 C ATOM 2061 OG1 THR A 720 -6.819 -7.342 1.338 1.00 50.31 O ATOM 2062 CG2 THR A 720 -5.242 -6.839 3.075 1.00 4.35 C ATOM 0 H THR A 720 -6.845 -6.291 5.353 1.00 62.12 H new ATOM 0 HA THR A 720 -8.650 -6.302 3.061 1.00 64.22 H new ATOM 0 HB THR A 720 -6.582 -5.466 2.169 1.00 71.52 H new ATOM 0 HG1 THR A 720 -6.951 -6.781 0.545 1.00 50.31 H new ATOM 0 HG21 THR A 720 -4.468 -6.713 2.318 1.00 4.35 H new ATOM 0 HG22 THR A 720 -5.043 -6.171 3.913 1.00 4.35 H new ATOM 0 HG23 THR A 720 -5.241 -7.871 3.426 1.00 4.35 H new ATOM 2068 N SER A 721 -8.827 -8.799 3.128 1.00 51.23 N ATOM 2069 CA SER A 721 -9.103 -10.214 3.296 1.00 31.51 C ATOM 2070 C SER A 721 -7.868 -11.032 2.860 1.00 21.31 C ATOM 2071 O SER A 721 -7.639 -12.160 3.325 1.00 24.43 O ATOM 2072 CB SER A 721 -10.347 -10.601 2.471 1.00 60.31 C ATOM 2073 OG SER A 721 -10.688 -11.965 2.635 1.00 31.44 O ATOM 0 H SER A 721 -9.378 -8.356 2.392 1.00 51.23 H new ATOM 0 HA SER A 721 -9.309 -10.432 4.344 1.00 31.51 H new ATOM 0 HB2 SER A 721 -11.189 -9.978 2.771 1.00 60.31 H new ATOM 0 HB3 SER A 721 -10.160 -10.398 1.416 1.00 60.31 H new ATOM 0 HG SER A 721 -11.482 -12.171 2.098 1.00 31.44 H new ATOM 2079 N TYR A 722 -7.057 -10.436 1.981 1.00 71.20 N ATOM 2080 CA TYR A 722 -5.851 -11.082 1.479 1.00 61.41 C ATOM 2081 C TYR A 722 -4.775 -11.223 2.559 1.00 64.34 C ATOM 2082 O TYR A 722 -3.794 -11.936 2.371 1.00 13.10 O ATOM 2083 CB TYR A 722 -5.288 -10.356 0.256 1.00 12.44 C ATOM 2084 CG TYR A 722 -6.155 -10.442 -0.985 1.00 4.43 C ATOM 2085 CD1 TYR A 722 -6.017 -11.506 -1.866 1.00 70.25 C ATOM 2086 CD2 TYR A 722 -7.093 -9.461 -1.288 1.00 4.40 C ATOM 2087 CE1 TYR A 722 -6.784 -11.594 -3.007 1.00 34.42 C ATOM 2088 CE2 TYR A 722 -7.862 -9.543 -2.434 1.00 5.54 C ATOM 2089 CZ TYR A 722 -7.701 -10.615 -3.288 1.00 23.23 C ATOM 2090 OH TYR A 722 -8.456 -10.697 -4.438 1.00 4.41 O ATOM 0 H TYR A 722 -7.219 -9.502 1.604 1.00 71.20 H new ATOM 0 HA TYR A 722 -6.147 -12.086 1.175 1.00 61.41 H new ATOM 0 HB2 TYR A 722 -5.142 -9.306 0.509 1.00 12.44 H new ATOM 0 HB3 TYR A 722 -4.305 -10.768 0.026 1.00 12.44 H new ATOM 0 HD1 TYR A 722 -5.294 -12.280 -1.653 1.00 70.25 H new ATOM 0 HD2 TYR A 722 -7.223 -8.623 -0.619 1.00 4.40 H new ATOM 0 HE1 TYR A 722 -6.663 -12.432 -3.678 1.00 34.42 H new ATOM 0 HE2 TYR A 722 -8.585 -8.773 -2.660 1.00 5.54 H new ATOM 0 HH TYR A 722 -9.059 -9.926 -4.489 1.00 4.41 H new ATOM 2100 N ALA A 723 -4.965 -10.550 3.690 1.00 41.02 N ATOM 2101 CA ALA A 723 -4.022 -10.650 4.794 1.00 44.21 C ATOM 2102 C ALA A 723 -4.241 -11.944 5.608 1.00 0.14 C ATOM 2103 O ALA A 723 -3.525 -12.210 6.575 1.00 31.43 O ATOM 2104 CB ALA A 723 -4.091 -9.418 5.681 1.00 22.21 C ATOM 0 H ALA A 723 -5.759 -9.934 3.864 1.00 41.02 H new ATOM 0 HA ALA A 723 -3.019 -10.700 4.371 1.00 44.21 H new ATOM 0 HB1 ALA A 723 -3.377 -9.518 6.498 1.00 22.21 H new ATOM 0 HB2 ALA A 723 -3.849 -8.533 5.093 1.00 22.21 H new ATOM 0 HB3 ALA A 723 -5.097 -9.319 6.088 1.00 22.21 H new ATOM 2110 N CYS A 724 -5.225 -12.732 5.207 1.00 14.33 N ATOM 2111 CA CYS A 724 -5.472 -14.036 5.812 1.00 51.33 C ATOM 2112 C CYS A 724 -5.026 -15.130 4.864 1.00 53.12 C ATOM 2113 O CYS A 724 -5.350 -15.089 3.674 1.00 51.11 O ATOM 2114 CB CYS A 724 -6.960 -14.248 6.170 1.00 40.15 C ATOM 2115 SG CYS A 724 -7.567 -13.317 7.620 1.00 70.44 S ATOM 0 H CYS A 724 -5.873 -12.490 4.457 1.00 14.33 H new ATOM 0 HA CYS A 724 -4.900 -14.076 6.739 1.00 51.33 H new ATOM 0 HB2 CYS A 724 -7.565 -13.974 5.306 1.00 40.15 H new ATOM 0 HB3 CYS A 724 -7.124 -15.311 6.349 1.00 40.15 H new ATOM 2120 N PRO A 725 -4.246 -16.099 5.354 1.00 12.22 N ATOM 2121 CA PRO A 725 -3.801 -17.209 4.549 1.00 34.53 C ATOM 2122 C PRO A 725 -4.840 -18.328 4.535 1.00 43.13 C ATOM 2123 O PRO A 725 -5.696 -18.338 3.633 1.00 37.70 O ATOM 2124 CB PRO A 725 -2.513 -17.657 5.240 1.00 31.32 C ATOM 2125 CG PRO A 725 -2.656 -17.238 6.673 1.00 10.22 C ATOM 2126 CD PRO A 725 -3.733 -16.181 6.735 1.00 25.13 C ATOM 2127 OXT PRO A 725 -4.818 -19.196 5.434 1.00 37.70 O ATOM 0 HA PRO A 725 -3.648 -16.942 3.503 1.00 34.53 H new ATOM 0 HB2 PRO A 725 -2.380 -18.736 5.159 1.00 31.32 H new ATOM 0 HB3 PRO A 725 -1.640 -17.192 4.781 1.00 31.32 H new ATOM 0 HG2 PRO A 725 -2.921 -18.092 7.297 1.00 10.22 H new ATOM 0 HG3 PRO A 725 -1.713 -16.846 7.053 1.00 10.22 H new ATOM 0 HD2 PRO A 725 -4.521 -16.457 7.436 1.00 25.13 H new ATOM 0 HD3 PRO A 725 -3.332 -15.224 7.067 1.00 25.13 H new