USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=37 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 679 TYR OH : rot 144:sc= 0.683 USER MOD Set 1.2: A 712 SER OG : rot 32:sc= 1.02 USER MOD Set 1.3: A 713 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 692 THR OG1 : rot -150:sc= 0.208 USER MOD Set 2.2: A 707 GLN : amide:sc= 0.774 K(o=1.7,f=0.098) USER MOD Set 2.3: A 715 ASN : amide:sc= 0.72 K(o=1.7,f=-1.7) USER MOD Set 3.1: A 644 GLN : amide:sc= 0.614 K(o=1.5,f=0.44) USER MOD Set 3.2: A 714 TYR OH : rot -30:sc= 0.913 USER MOD Set 4.1: A 640 SER OG : rot 80:sc= 0.717 USER MOD Set 4.2: A 654 ASN : amide:sc= 1.68 K(o=2.4,f=-5.8!) USER MOD Set 5.1: A 587 THR OG1 : rot -120:sc= -0.163 USER MOD Set 5.2: A 598 GLN : amide:sc= -0.231 K(o=-0.39,f=1.2) USER MOD Single : A 591 ASN : amide:sc= -0.0729 K(o=-0.073,f=-0.67) USER MOD Single : A 593 THR OG1 : rot 7:sc= 1.17 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 130:sc= 1.17 USER MOD Single : A 609 THR OG1 : rot 180:sc= -0.932 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 18:sc= 0.61 USER MOD Single : A 615 LYS NZ :NH3+ 159:sc= 0.512 (180deg=-0.131) USER MOD Single : A 618 THR OG1 : rot -22:sc= 1.86 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 1.05 K(o=1.1,f=-5.7!) USER MOD Single : A 626 ASN : amide:sc= 1.47 K(o=1.5,f=-7.5!) USER MOD Single : A 632 SER OG : rot 97:sc= 1.23 USER MOD Single : A 646 SER OG : rot 130:sc= 0.852 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 144:sc= 0.948 (180deg=-0.11) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot -78:sc= 1.24 USER MOD Single : A 659 ASN : amide:sc= -2.65! K(o=-2.6!,f=-1.5) USER MOD Single : A 661 LYS NZ :NH3+ -178:sc= 2.36 (180deg=2.32) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 81:sc= 0.455 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -162:sc= -0.328 (180deg=-0.885) USER MOD Single : A 670 GLN : amide:sc= -4.86! C(o=-4.9!,f=-3.9!) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -145:sc= 1.24 USER MOD Single : A 677 THR OG1 : rot -169:sc= -0.334 USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 681 ASN : amide:sc= 0.0667 K(o=0.067,f=-8.6!) 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 -141:sc= -0.683 USER MOD Single : A 706 TYR OH : rot 35:sc= 0.973 USER MOD Single : A 719 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 720 THR OG1 : rot 123:sc= 0.721 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 11.002 -9.154 11.288 1.00 42.41 N ATOM 115 CA ARG A 586 10.526 -8.747 10.010 1.00 14.45 C ATOM 116 C ARG A 586 11.205 -9.560 8.922 1.00 34.53 C ATOM 117 O ARG A 586 12.423 -9.444 8.718 1.00 51.31 O ATOM 118 CB ARG A 586 10.833 -7.266 9.805 1.00 52.45 C ATOM 119 CG ARG A 586 10.279 -6.678 8.528 1.00 14.34 C ATOM 120 CD ARG A 586 10.799 -5.270 8.304 1.00 60.12 C ATOM 121 NE ARG A 586 10.523 -4.373 9.432 1.00 63.34 N ATOM 122 CZ ARG A 586 11.223 -3.261 9.698 1.00 74.10 C ATOM 123 NH1 ARG A 586 12.222 -2.886 8.898 1.00 12.15 N ATOM 124 NH2 ARG A 586 10.914 -2.528 10.753 1.00 70.14 N ATOM 0 HA ARG A 586 9.450 -8.910 9.958 1.00 14.45 H new ATOM 0 HB2 ARG A 586 10.434 -6.706 10.650 1.00 52.45 H new ATOM 0 HB3 ARG A 586 11.914 -7.128 9.813 1.00 52.45 H new ATOM 0 HG2 ARG A 586 10.555 -7.310 7.684 1.00 14.34 H new ATOM 0 HG3 ARG A 586 9.190 -6.664 8.573 1.00 14.34 H new ATOM 0 HD2 ARG A 586 11.875 -5.309 8.132 1.00 60.12 H new ATOM 0 HD3 ARG A 586 10.346 -4.860 7.401 1.00 60.12 H new ATOM 0 HE ARG A 586 9.750 -4.611 10.053 1.00 63.34 H new ATOM 0 HH11 ARG A 586 12.457 -3.446 8.079 1.00 12.15 H new ATOM 0 HH12 ARG A 586 12.751 -2.039 9.105 1.00 12.15 H new ATOM 0 HH21 ARG A 586 10.145 -2.809 11.362 1.00 70.14 H new ATOM 0 HH22 ARG A 586 11.444 -1.681 10.959 1.00 70.14 H new ATOM 136 N THR A 587 10.457 -10.375 8.252 1.00 33.15 N ATOM 137 CA THR A 587 10.975 -11.109 7.131 1.00 55.40 C ATOM 138 C THR A 587 10.600 -10.388 5.851 1.00 11.42 C ATOM 139 O THR A 587 9.471 -9.962 5.690 1.00 74.21 O ATOM 140 CB THR A 587 10.442 -12.548 7.124 1.00 62.14 C ATOM 141 OG1 THR A 587 10.867 -13.187 8.328 1.00 62.22 O ATOM 142 CG2 THR A 587 10.954 -13.329 5.921 1.00 3.25 C ATOM 0 H THR A 587 9.475 -10.554 8.460 1.00 33.15 H new ATOM 0 HA THR A 587 12.061 -11.164 7.209 1.00 55.40 H new ATOM 0 HB THR A 587 9.354 -12.523 7.060 1.00 62.14 H new ATOM 0 HG1 THR A 587 11.417 -13.968 8.108 1.00 62.22 H new ATOM 0 HG21 THR A 587 10.556 -14.343 5.950 1.00 3.25 H new ATOM 0 HG22 THR A 587 10.630 -12.838 5.004 1.00 3.25 H new ATOM 0 HG23 THR A 587 12.043 -13.366 5.948 1.00 3.25 H new ATOM 148 N GLU A 588 11.544 -10.224 4.975 1.00 62.03 N ATOM 149 CA GLU A 588 11.312 -9.519 3.744 1.00 41.42 C ATOM 150 C GLU A 588 11.255 -10.477 2.561 1.00 23.51 C ATOM 151 O GLU A 588 11.974 -11.484 2.531 1.00 4.42 O ATOM 152 CB GLU A 588 12.371 -8.434 3.563 1.00 72.20 C ATOM 153 CG GLU A 588 13.794 -8.946 3.642 1.00 14.53 C ATOM 154 CD GLU A 588 14.797 -7.841 3.620 1.00 44.15 C ATOM 155 OE1 GLU A 588 15.157 -7.338 4.693 1.00 23.04 O ATOM 156 OE2 GLU A 588 15.251 -7.453 2.522 1.00 61.10 O ATOM 0 H GLU A 588 12.496 -10.573 5.089 1.00 62.03 H new ATOM 0 HA GLU A 588 10.338 -9.032 3.790 1.00 41.42 H new ATOM 0 HB2 GLU A 588 12.222 -7.952 2.597 1.00 72.20 H new ATOM 0 HB3 GLU A 588 12.228 -7.669 4.326 1.00 72.20 H new ATOM 0 HG2 GLU A 588 13.918 -9.528 4.555 1.00 14.53 H new ATOM 0 HG3 GLU A 588 13.982 -9.620 2.807 1.00 14.53 H new ATOM 163 N GLY A 589 10.382 -10.182 1.622 1.00 42.43 N ATOM 164 CA GLY A 589 10.234 -11.027 0.455 1.00 71.04 C ATOM 165 C GLY A 589 10.435 -10.263 -0.833 1.00 2.33 C ATOM 166 O GLY A 589 11.024 -10.789 -1.782 1.00 14.04 O ATOM 0 H GLY A 589 9.767 -9.369 1.642 1.00 42.43 H new ATOM 0 HA2 GLY A 589 10.954 -11.844 0.507 1.00 71.04 H new ATOM 0 HA3 GLY A 589 9.241 -11.476 0.458 1.00 71.04 H new ATOM 170 N ASP A 590 9.933 -9.025 -0.864 1.00 73.21 N ATOM 171 CA ASP A 590 10.059 -8.117 -2.030 1.00 42.14 C ATOM 172 C ASP A 590 9.202 -8.516 -3.219 1.00 32.44 C ATOM 173 O ASP A 590 8.647 -9.618 -3.274 1.00 75.11 O ATOM 174 CB ASP A 590 11.525 -7.883 -2.474 1.00 34.04 C ATOM 175 CG ASP A 590 12.312 -6.998 -1.542 1.00 62.10 C ATOM 176 OD1 ASP A 590 12.860 -7.487 -0.524 1.00 51.52 O ATOM 177 OD2 ASP A 590 12.403 -5.788 -1.819 1.00 23.02 O ATOM 0 H ASP A 590 9.424 -8.614 -0.082 1.00 73.21 H new ATOM 0 HA ASP A 590 9.670 -7.169 -1.659 1.00 42.14 H new ATOM 0 HB2 ASP A 590 12.028 -8.847 -2.555 1.00 34.04 H new ATOM 0 HB3 ASP A 590 11.526 -7.438 -3.469 1.00 34.04 H new ATOM 182 N ASN A 591 9.091 -7.578 -4.146 1.00 50.13 N ATOM 183 CA ASN A 591 8.353 -7.708 -5.411 1.00 50.24 C ATOM 184 C ASN A 591 6.924 -8.227 -5.214 1.00 0.32 C ATOM 185 O ASN A 591 6.563 -9.330 -5.659 1.00 32.03 O ATOM 186 CB ASN A 591 9.123 -8.532 -6.451 1.00 72.34 C ATOM 187 CG ASN A 591 8.458 -8.536 -7.817 1.00 23.24 C ATOM 188 OD1 ASN A 591 7.799 -7.564 -8.211 1.00 51.11 O ATOM 189 ND2 ASN A 591 8.617 -9.610 -8.539 1.00 60.21 N ATOM 0 H ASN A 591 9.528 -6.663 -4.041 1.00 50.13 H new ATOM 0 HA ASN A 591 8.261 -6.698 -5.810 1.00 50.24 H new ATOM 0 HB2 ASN A 591 10.133 -8.134 -6.546 1.00 72.34 H new ATOM 0 HB3 ASN A 591 9.217 -9.558 -6.096 1.00 72.34 H new ATOM 0 HD21 ASN A 591 8.191 -9.670 -9.464 1.00 60.21 H new ATOM 0 HD22 ASN A 591 9.167 -10.390 -8.179 1.00 60.21 H new ATOM 195 N CYS A 592 6.144 -7.454 -4.462 1.00 54.50 N ATOM 196 CA CYS A 592 4.713 -7.727 -4.189 1.00 14.53 C ATOM 197 C CYS A 592 4.489 -9.008 -3.365 1.00 43.11 C ATOM 198 O CYS A 592 3.345 -9.360 -3.047 1.00 34.01 O ATOM 199 CB CYS A 592 3.914 -7.802 -5.490 1.00 44.33 C ATOM 200 SG CYS A 592 4.039 -6.333 -6.549 1.00 13.11 S ATOM 0 H CYS A 592 6.483 -6.603 -4.012 1.00 54.50 H new ATOM 0 HA CYS A 592 4.356 -6.890 -3.589 1.00 14.53 H new ATOM 0 HB2 CYS A 592 4.251 -8.670 -6.057 1.00 44.33 H new ATOM 0 HB3 CYS A 592 2.865 -7.968 -5.246 1.00 44.33 H new ATOM 205 N THR A 593 5.556 -9.685 -2.998 1.00 44.14 N ATOM 206 CA THR A 593 5.432 -10.924 -2.300 1.00 11.53 C ATOM 207 C THR A 593 6.143 -10.923 -0.973 1.00 51.44 C ATOM 208 O THR A 593 7.150 -10.235 -0.785 1.00 75.24 O ATOM 209 CB THR A 593 5.894 -12.120 -3.165 1.00 62.54 C ATOM 210 OG1 THR A 593 7.202 -11.878 -3.739 1.00 12.12 O ATOM 211 CG2 THR A 593 4.907 -12.395 -4.270 1.00 62.31 C ATOM 0 H THR A 593 6.516 -9.389 -3.177 1.00 44.14 H new ATOM 0 HA THR A 593 4.368 -11.042 -2.093 1.00 11.53 H new ATOM 0 HB THR A 593 5.952 -12.990 -2.511 1.00 62.54 H new ATOM 0 HG1 THR A 593 7.576 -11.053 -3.365 1.00 12.12 H new ATOM 0 HG21 THR A 593 5.253 -13.240 -4.865 1.00 62.31 H new ATOM 0 HG22 THR A 593 3.934 -12.629 -3.839 1.00 62.31 H new ATOM 0 HG23 THR A 593 4.819 -11.515 -4.907 1.00 62.31 H new ATOM 217 N VAL A 594 5.603 -11.668 -0.060 1.00 35.03 N ATOM 218 CA VAL A 594 6.164 -11.830 1.244 1.00 63.15 C ATOM 219 C VAL A 594 6.024 -13.277 1.698 1.00 63.50 C ATOM 220 O VAL A 594 4.945 -13.862 1.631 1.00 63.55 O ATOM 221 CB VAL A 594 5.525 -10.858 2.266 1.00 73.44 C ATOM 222 CG1 VAL A 594 4.009 -10.980 2.271 1.00 43.20 C ATOM 223 CG2 VAL A 594 6.068 -11.113 3.651 1.00 62.10 C ATOM 0 H VAL A 594 4.740 -12.192 -0.204 1.00 35.03 H new ATOM 0 HA VAL A 594 7.224 -11.583 1.190 1.00 63.15 H new ATOM 0 HB VAL A 594 5.785 -9.843 1.964 1.00 73.44 H new ATOM 0 HG11 VAL A 594 3.590 -10.285 2.999 1.00 43.20 H new ATOM 0 HG12 VAL A 594 3.622 -10.744 1.280 1.00 43.20 H new ATOM 0 HG13 VAL A 594 3.727 -11.998 2.538 1.00 43.20 H new ATOM 0 HG21 VAL A 594 5.607 -10.421 4.356 1.00 62.10 H new ATOM 0 HG22 VAL A 594 5.841 -12.137 3.948 1.00 62.10 H new ATOM 0 HG23 VAL A 594 7.148 -10.966 3.651 1.00 62.10 H new ATOM 229 N PHE A 595 7.110 -13.858 2.099 1.00 11.01 N ATOM 230 CA PHE A 595 7.109 -15.209 2.558 1.00 42.05 C ATOM 231 C PHE A 595 7.950 -15.349 3.809 1.00 21.25 C ATOM 232 O PHE A 595 9.011 -14.735 3.912 1.00 40.11 O ATOM 233 CB PHE A 595 7.599 -16.169 1.437 1.00 62.23 C ATOM 234 CG PHE A 595 8.979 -15.857 0.884 1.00 25.12 C ATOM 235 CD1 PHE A 595 9.132 -14.978 -0.181 1.00 13.53 C ATOM 236 CD2 PHE A 595 10.113 -16.442 1.429 1.00 33.14 C ATOM 237 CE1 PHE A 595 10.385 -14.692 -0.689 1.00 0.22 C ATOM 238 CE2 PHE A 595 11.366 -16.159 0.924 1.00 11.43 C ATOM 239 CZ PHE A 595 11.502 -15.283 -0.134 1.00 13.03 C ATOM 0 H PHE A 595 8.025 -13.407 2.117 1.00 11.01 H new ATOM 0 HA PHE A 595 6.086 -15.487 2.812 1.00 42.05 H new ATOM 0 HB2 PHE A 595 7.602 -17.187 1.826 1.00 62.23 H new ATOM 0 HB3 PHE A 595 6.881 -16.143 0.617 1.00 62.23 H new ATOM 0 HD1 PHE A 595 8.261 -14.512 -0.617 1.00 13.53 H new ATOM 0 HD2 PHE A 595 10.014 -17.127 2.258 1.00 33.14 H new ATOM 0 HE1 PHE A 595 10.490 -14.008 -1.518 1.00 0.22 H new ATOM 0 HE2 PHE A 595 12.240 -16.623 1.357 1.00 11.43 H new ATOM 0 HZ PHE A 595 12.483 -15.060 -0.528 1.00 13.03 H new ATOM 249 N ASP A 596 7.477 -16.124 4.757 1.00 24.24 N ATOM 250 CA ASP A 596 8.266 -16.444 5.918 1.00 64.14 C ATOM 251 C ASP A 596 8.772 -17.824 5.685 1.00 63.10 C ATOM 252 O ASP A 596 7.992 -18.784 5.685 1.00 25.32 O ATOM 253 CB ASP A 596 7.392 -16.490 7.199 1.00 22.02 C ATOM 254 CG ASP A 596 6.714 -15.213 7.526 1.00 61.33 C ATOM 255 OD1 ASP A 596 7.328 -14.363 8.225 1.00 42.14 O ATOM 256 OD2 ASP A 596 5.554 -15.063 7.139 1.00 11.51 O ATOM 0 H ASP A 596 6.548 -16.544 4.745 1.00 24.24 H new ATOM 0 HA ASP A 596 9.049 -15.698 6.057 1.00 64.14 H new ATOM 0 HB2 ASP A 596 6.637 -17.268 7.081 1.00 22.02 H new ATOM 0 HB3 ASP A 596 8.020 -16.780 8.042 1.00 22.02 H new ATOM 261 N SER A 597 10.055 -17.956 5.497 1.00 5.21 N ATOM 262 CA SER A 597 10.662 -19.257 5.302 1.00 13.35 C ATOM 263 C SER A 597 10.632 -20.056 6.599 1.00 61.41 C ATOM 264 O SER A 597 10.700 -21.276 6.600 1.00 50.23 O ATOM 265 CB SER A 597 12.075 -19.094 4.767 1.00 62.32 C ATOM 266 OG SER A 597 12.056 -18.359 3.546 1.00 25.42 O ATOM 0 H SER A 597 10.711 -17.176 5.473 1.00 5.21 H new ATOM 0 HA SER A 597 10.089 -19.818 4.563 1.00 13.35 H new ATOM 0 HB2 SER A 597 12.693 -18.577 5.502 1.00 62.32 H new ATOM 0 HB3 SER A 597 12.525 -20.073 4.604 1.00 62.32 H new ATOM 0 HG SER A 597 12.971 -18.258 3.211 1.00 25.42 H new ATOM 272 N GLN A 598 10.484 -19.328 7.688 1.00 11.23 N ATOM 273 CA GLN A 598 10.462 -19.862 9.041 1.00 65.25 C ATOM 274 C GLN A 598 9.263 -20.795 9.209 1.00 40.41 C ATOM 275 O GLN A 598 9.381 -21.894 9.727 1.00 61.23 O ATOM 276 CB GLN A 598 10.263 -18.674 9.974 1.00 1.43 C ATOM 277 CG GLN A 598 11.233 -17.539 9.721 1.00 1.43 C ATOM 278 CD GLN A 598 10.803 -16.263 10.387 1.00 3.23 C ATOM 279 OE1 GLN A 598 11.181 -15.971 11.522 1.00 5.51 O ATOM 280 NE2 GLN A 598 9.989 -15.505 9.682 1.00 52.14 N ATOM 0 H GLN A 598 10.372 -18.315 7.657 1.00 11.23 H new ATOM 0 HA GLN A 598 11.380 -20.409 9.253 1.00 65.25 H new ATOM 0 HB2 GLN A 598 9.244 -18.302 9.864 1.00 1.43 H new ATOM 0 HB3 GLN A 598 10.370 -19.010 11.005 1.00 1.43 H new ATOM 0 HG2 GLN A 598 12.221 -17.821 10.084 1.00 1.43 H new ATOM 0 HG3 GLN A 598 11.323 -17.373 8.647 1.00 1.43 H new ATOM 0 HE21 GLN A 598 9.706 -15.794 8.745 1.00 52.14 H new ATOM 0 HE22 GLN A 598 9.641 -14.629 10.073 1.00 52.14 H new ATOM 288 N ALA A 599 8.119 -20.346 8.734 1.00 3.03 N ATOM 289 CA ALA A 599 6.898 -21.116 8.835 1.00 32.03 C ATOM 290 C ALA A 599 6.595 -21.844 7.534 1.00 13.51 C ATOM 291 O ALA A 599 5.803 -22.787 7.508 1.00 34.13 O ATOM 292 CB ALA A 599 5.739 -20.204 9.217 1.00 2.43 C ATOM 0 H ALA A 599 8.010 -19.444 8.271 1.00 3.03 H new ATOM 0 HA ALA A 599 7.032 -21.868 9.612 1.00 32.03 H new ATOM 0 HB1 ALA A 599 4.823 -20.791 9.291 1.00 2.43 H new ATOM 0 HB2 ALA A 599 5.947 -19.734 10.178 1.00 2.43 H new ATOM 0 HB3 ALA A 599 5.616 -19.434 8.456 1.00 2.43 H new ATOM 298 N GLY A 600 7.242 -21.419 6.464 1.00 2.53 N ATOM 299 CA GLY A 600 6.923 -21.949 5.154 1.00 73.31 C ATOM 300 C GLY A 600 5.625 -21.345 4.700 1.00 74.22 C ATOM 301 O GLY A 600 4.761 -22.011 4.129 1.00 22.25 O ATOM 0 H GLY A 600 7.982 -20.717 6.476 1.00 2.53 H new ATOM 0 HA2 GLY A 600 7.718 -21.714 4.446 1.00 73.31 H new ATOM 0 HA3 GLY A 600 6.842 -23.035 5.194 1.00 73.31 H new ATOM 305 N PHE A 601 5.508 -20.076 4.957 1.00 65.33 N ATOM 306 CA PHE A 601 4.294 -19.337 4.774 1.00 63.41 C ATOM 307 C PHE A 601 4.509 -18.323 3.655 1.00 63.50 C ATOM 308 O PHE A 601 5.577 -17.739 3.569 1.00 41.22 O ATOM 309 CB PHE A 601 4.060 -18.636 6.109 1.00 30.13 C ATOM 310 CG PHE A 601 2.782 -17.926 6.273 1.00 61.24 C ATOM 311 CD1 PHE A 601 1.670 -18.610 6.729 1.00 64.04 C ATOM 312 CD2 PHE A 601 2.680 -16.577 6.008 1.00 60.33 C ATOM 313 CE1 PHE A 601 0.479 -17.967 6.914 1.00 50.01 C ATOM 314 CE2 PHE A 601 1.499 -15.934 6.198 1.00 1.31 C ATOM 315 CZ PHE A 601 0.390 -16.628 6.652 1.00 11.22 C ATOM 0 H PHE A 601 6.279 -19.509 5.311 1.00 65.33 H new ATOM 0 HA PHE A 601 3.442 -19.958 4.499 1.00 63.41 H new ATOM 0 HB2 PHE A 601 4.139 -19.380 6.901 1.00 30.13 H new ATOM 0 HB3 PHE A 601 4.868 -17.920 6.263 1.00 30.13 H new ATOM 0 HD1 PHE A 601 1.744 -19.666 6.942 1.00 64.04 H new ATOM 0 HD2 PHE A 601 3.540 -16.031 5.649 1.00 60.33 H new ATOM 0 HE1 PHE A 601 -0.385 -18.512 7.264 1.00 50.01 H new ATOM 0 HE2 PHE A 601 1.424 -14.876 5.994 1.00 1.31 H new ATOM 0 HZ PHE A 601 -0.547 -16.111 6.799 1.00 11.22 H new ATOM 325 N SER A 602 3.517 -18.119 2.806 1.00 34.05 N ATOM 326 CA SER A 602 3.680 -17.207 1.688 1.00 44.41 C ATOM 327 C SER A 602 2.415 -16.382 1.368 1.00 24.22 C ATOM 328 O SER A 602 1.301 -16.915 1.370 1.00 70.31 O ATOM 329 CB SER A 602 4.155 -17.999 0.459 1.00 41.13 C ATOM 330 OG SER A 602 3.298 -19.117 0.200 1.00 20.32 O ATOM 0 H SER A 602 2.602 -18.566 2.867 1.00 34.05 H new ATOM 0 HA SER A 602 4.432 -16.472 1.974 1.00 44.41 H new ATOM 0 HB2 SER A 602 4.177 -17.345 -0.412 1.00 41.13 H new ATOM 0 HB3 SER A 602 5.175 -18.349 0.620 1.00 41.13 H new ATOM 0 HG SER A 602 3.622 -19.602 -0.588 1.00 20.32 H new ATOM 336 N PHE A 603 2.597 -15.088 1.115 1.00 73.24 N ATOM 337 CA PHE A 603 1.537 -14.215 0.624 1.00 24.41 C ATOM 338 C PHE A 603 1.977 -13.433 -0.594 1.00 61.23 C ATOM 339 O PHE A 603 3.159 -13.069 -0.745 1.00 65.43 O ATOM 340 CB PHE A 603 0.985 -13.230 1.661 1.00 33.31 C ATOM 341 CG PHE A 603 0.077 -13.804 2.699 1.00 35.24 C ATOM 342 CD1 PHE A 603 -0.972 -14.636 2.344 1.00 25.34 C ATOM 343 CD2 PHE A 603 0.235 -13.469 4.018 1.00 31.03 C ATOM 344 CE1 PHE A 603 -1.835 -15.123 3.299 1.00 62.30 C ATOM 345 CE2 PHE A 603 -0.624 -13.956 4.972 1.00 10.24 C ATOM 346 CZ PHE A 603 -1.660 -14.782 4.611 1.00 35.42 C ATOM 0 H PHE A 603 3.491 -14.614 1.246 1.00 73.24 H new ATOM 0 HA PHE A 603 0.731 -14.903 0.369 1.00 24.41 H new ATOM 0 HB2 PHE A 603 1.827 -12.757 2.166 1.00 33.31 H new ATOM 0 HB3 PHE A 603 0.447 -12.443 1.133 1.00 33.31 H new ATOM 0 HD1 PHE A 603 -1.114 -14.905 1.308 1.00 25.34 H new ATOM 0 HD2 PHE A 603 1.043 -12.815 4.310 1.00 31.03 H new ATOM 0 HE1 PHE A 603 -2.649 -15.773 3.012 1.00 62.30 H new ATOM 0 HE2 PHE A 603 -0.485 -13.689 6.009 1.00 10.24 H new ATOM 0 HZ PHE A 603 -2.336 -15.162 5.363 1.00 35.42 H new ATOM 356 N ASP A 604 1.022 -13.169 -1.429 1.00 72.53 N ATOM 357 CA ASP A 604 1.194 -12.418 -2.659 1.00 24.31 C ATOM 358 C ASP A 604 0.187 -11.304 -2.674 1.00 42.20 C ATOM 359 O ASP A 604 -1.021 -11.553 -2.611 1.00 14.41 O ATOM 360 CB ASP A 604 0.997 -13.323 -3.887 1.00 71.31 C ATOM 361 CG ASP A 604 1.057 -12.570 -5.201 1.00 73.40 C ATOM 362 OD1 ASP A 604 2.149 -12.386 -5.750 1.00 33.25 O ATOM 363 OD2 ASP A 604 0.003 -12.160 -5.712 1.00 30.43 O ATOM 0 H ASP A 604 0.061 -13.476 -1.279 1.00 72.53 H new ATOM 0 HA ASP A 604 2.206 -12.016 -2.702 1.00 24.31 H new ATOM 0 HB2 ASP A 604 1.763 -14.098 -3.885 1.00 71.31 H new ATOM 0 HB3 ASP A 604 0.033 -13.826 -3.808 1.00 71.31 H new ATOM 368 N LEU A 605 0.649 -10.092 -2.729 1.00 11.32 N ATOM 369 CA LEU A 605 -0.249 -8.960 -2.699 1.00 2.21 C ATOM 370 C LEU A 605 -0.251 -8.233 -4.024 1.00 23.34 C ATOM 371 O LEU A 605 -0.698 -7.086 -4.122 1.00 71.41 O ATOM 372 CB LEU A 605 0.102 -8.017 -1.551 1.00 24.25 C ATOM 373 CG LEU A 605 0.034 -8.620 -0.138 1.00 24.21 C ATOM 374 CD1 LEU A 605 0.363 -7.571 0.888 1.00 54.55 C ATOM 375 CD2 LEU A 605 -1.337 -9.235 0.148 1.00 4.11 C ATOM 0 H LEU A 605 1.639 -9.854 -2.795 1.00 11.32 H new ATOM 0 HA LEU A 605 -1.258 -9.335 -2.526 1.00 2.21 H new ATOM 0 HB2 LEU A 605 1.111 -7.638 -1.714 1.00 24.25 H new ATOM 0 HB3 LEU A 605 -0.571 -7.161 -1.592 1.00 24.25 H new ATOM 0 HG LEU A 605 0.771 -9.421 -0.080 1.00 24.21 H new ATOM 0 HD11 LEU A 605 0.312 -8.009 1.885 1.00 54.55 H new ATOM 0 HD12 LEU A 605 1.369 -7.191 0.710 1.00 54.55 H new ATOM 0 HD13 LEU A 605 -0.353 -6.752 0.814 1.00 54.55 H new ATOM 0 HD21 LEU A 605 -1.346 -9.651 1.156 1.00 4.11 H new ATOM 0 HD22 LEU A 605 -2.105 -8.466 0.066 1.00 4.11 H new ATOM 0 HD23 LEU A 605 -1.538 -10.027 -0.573 1.00 4.11 H new ATOM 383 N THR A 606 0.194 -8.926 -5.051 1.00 41.51 N ATOM 384 CA THR A 606 0.235 -8.411 -6.380 1.00 21.43 C ATOM 385 C THR A 606 -1.182 -7.914 -6.864 1.00 75.10 C ATOM 386 O THR A 606 -1.286 -6.810 -7.394 1.00 42.20 O ATOM 387 CB THR A 606 0.811 -9.473 -7.336 1.00 2.24 C ATOM 388 OG1 THR A 606 2.065 -9.958 -6.797 1.00 44.43 O ATOM 389 CG2 THR A 606 1.075 -8.870 -8.690 1.00 4.01 C ATOM 0 H THR A 606 0.542 -9.882 -4.971 1.00 41.51 H new ATOM 0 HA THR A 606 0.890 -7.540 -6.386 1.00 21.43 H new ATOM 0 HB THR A 606 0.092 -10.286 -7.436 1.00 2.24 H new ATOM 0 HG1 THR A 606 2.059 -10.938 -6.787 1.00 44.43 H new ATOM 0 HG21 THR A 606 1.482 -9.632 -9.355 1.00 4.01 H new ATOM 0 HG22 THR A 606 0.143 -8.486 -9.105 1.00 4.01 H new ATOM 0 HG23 THR A 606 1.792 -8.055 -8.592 1.00 4.01 H new ATOM 395 N PRO A 607 -2.308 -8.707 -6.668 1.00 40.32 N ATOM 396 CA PRO A 607 -3.676 -8.265 -7.062 1.00 72.05 C ATOM 397 C PRO A 607 -4.132 -6.970 -6.354 1.00 31.02 C ATOM 398 O PRO A 607 -5.078 -6.311 -6.794 1.00 2.11 O ATOM 399 CB PRO A 607 -4.578 -9.444 -6.643 1.00 31.32 C ATOM 400 CG PRO A 607 -3.764 -10.233 -5.676 1.00 33.41 C ATOM 401 CD PRO A 607 -2.343 -10.081 -6.120 1.00 42.44 C ATOM 0 HA PRO A 607 -3.716 -8.027 -8.125 1.00 72.05 H new ATOM 0 HB2 PRO A 607 -5.501 -9.090 -6.184 1.00 31.32 H new ATOM 0 HB3 PRO A 607 -4.862 -10.049 -7.504 1.00 31.32 H new ATOM 0 HG2 PRO A 607 -3.898 -9.863 -4.659 1.00 33.41 H new ATOM 0 HG3 PRO A 607 -4.064 -11.281 -5.676 1.00 33.41 H new ATOM 0 HD2 PRO A 607 -1.646 -10.202 -5.290 1.00 42.44 H new ATOM 0 HD3 PRO A 607 -2.074 -10.822 -6.873 1.00 42.44 H new ATOM 409 N LEU A 608 -3.456 -6.607 -5.272 1.00 21.10 N ATOM 410 CA LEU A 608 -3.783 -5.409 -4.538 1.00 54.13 C ATOM 411 C LEU A 608 -3.123 -4.195 -5.173 1.00 61.23 C ATOM 412 O LEU A 608 -3.442 -3.075 -4.838 1.00 41.30 O ATOM 413 CB LEU A 608 -3.362 -5.500 -3.055 1.00 71.20 C ATOM 414 CG LEU A 608 -4.116 -6.465 -2.114 1.00 53.04 C ATOM 415 CD1 LEU A 608 -3.945 -7.909 -2.513 1.00 53.42 C ATOM 416 CD2 LEU A 608 -3.658 -6.261 -0.683 1.00 64.23 C ATOM 0 H LEU A 608 -2.673 -7.135 -4.887 1.00 21.10 H new ATOM 0 HA LEU A 608 -4.867 -5.303 -4.577 1.00 54.13 H new ATOM 0 HB2 LEU A 608 -2.308 -5.775 -3.030 1.00 71.20 H new ATOM 0 HB3 LEU A 608 -3.441 -4.499 -2.630 1.00 71.20 H new ATOM 0 HG LEU A 608 -5.178 -6.232 -2.196 1.00 53.04 H new ATOM 0 HD11 LEU A 608 -4.495 -8.546 -1.820 1.00 53.42 H new ATOM 0 HD12 LEU A 608 -4.329 -8.055 -3.522 1.00 53.42 H new ATOM 0 HD13 LEU A 608 -2.887 -8.171 -2.486 1.00 53.42 H new ATOM 0 HD21 LEU A 608 -4.196 -6.946 -0.028 1.00 64.23 H new ATOM 0 HD22 LEU A 608 -2.588 -6.456 -0.612 1.00 64.23 H new ATOM 0 HD23 LEU A 608 -3.861 -5.234 -0.379 1.00 64.23 H new ATOM 424 N THR A 609 -2.190 -4.429 -6.060 1.00 62.21 N ATOM 425 CA THR A 609 -1.507 -3.358 -6.740 1.00 53.22 C ATOM 426 C THR A 609 -2.410 -2.778 -7.846 1.00 74.41 C ATOM 427 O THR A 609 -3.007 -3.531 -8.617 1.00 73.44 O ATOM 428 CB THR A 609 -0.186 -3.875 -7.341 1.00 64.13 C ATOM 429 OG1 THR A 609 0.597 -4.475 -6.296 1.00 4.33 O ATOM 430 CG2 THR A 609 0.610 -2.742 -7.961 1.00 32.14 C ATOM 0 H THR A 609 -1.883 -5.363 -6.331 1.00 62.21 H new ATOM 0 HA THR A 609 -1.279 -2.568 -6.025 1.00 53.22 H new ATOM 0 HB THR A 609 -0.418 -4.604 -8.118 1.00 64.13 H new ATOM 0 HG1 THR A 609 1.440 -4.809 -6.669 1.00 4.33 H new ATOM 0 HG21 THR A 609 1.538 -3.135 -8.378 1.00 32.14 H new ATOM 0 HG22 THR A 609 0.024 -2.277 -8.754 1.00 32.14 H new ATOM 0 HG23 THR A 609 0.841 -1.999 -7.197 1.00 32.14 H new ATOM 436 N LYS A 610 -2.522 -1.461 -7.903 1.00 62.25 N ATOM 437 CA LYS A 610 -3.335 -0.817 -8.914 1.00 1.43 C ATOM 438 C LYS A 610 -2.516 0.185 -9.673 1.00 70.34 C ATOM 439 O LYS A 610 -1.739 0.911 -9.087 1.00 40.13 O ATOM 440 CB LYS A 610 -4.518 -0.075 -8.303 1.00 12.24 C ATOM 441 CG LYS A 610 -5.483 -0.935 -7.509 1.00 52.45 C ATOM 442 CD LYS A 610 -6.759 -0.167 -7.195 1.00 65.33 C ATOM 443 CE LYS A 610 -7.781 -1.040 -6.481 1.00 23.21 C ATOM 444 NZ LYS A 610 -9.064 -0.336 -6.284 1.00 22.04 N ATOM 0 H LYS A 610 -2.059 -0.819 -7.259 1.00 62.25 H new ATOM 0 HA LYS A 610 -3.702 -1.605 -9.572 1.00 1.43 H new ATOM 0 HB2 LYS A 610 -4.136 0.710 -7.651 1.00 12.24 H new ATOM 0 HB3 LYS A 610 -5.070 0.417 -9.104 1.00 12.24 H new ATOM 0 HG2 LYS A 610 -5.725 -1.835 -8.074 1.00 52.45 H new ATOM 0 HG3 LYS A 610 -5.010 -1.258 -6.582 1.00 52.45 H new ATOM 0 HD2 LYS A 610 -6.520 0.696 -6.574 1.00 65.33 H new ATOM 0 HD3 LYS A 610 -7.190 0.216 -8.120 1.00 65.33 H new ATOM 0 HE2 LYS A 610 -7.950 -1.948 -7.060 1.00 23.21 H new ATOM 0 HE3 LYS A 610 -7.383 -1.348 -5.514 1.00 23.21 H new ATOM 0 HZ1 LYS A 610 -9.733 -0.964 -5.795 1.00 22.04 H new ATOM 0 HZ2 LYS A 610 -8.907 0.517 -5.710 1.00 22.04 H new ATOM 0 HZ3 LYS A 610 -9.457 -0.065 -7.208 1.00 22.04 H new ATOM 458 N LYS A 611 -2.718 0.267 -10.963 1.00 52.11 N ATOM 459 CA LYS A 611 -2.003 1.240 -11.773 1.00 62.40 C ATOM 460 C LYS A 611 -2.505 2.652 -11.447 1.00 21.40 C ATOM 461 O LYS A 611 -1.792 3.631 -11.611 1.00 65.15 O ATOM 462 CB LYS A 611 -2.175 0.944 -13.273 1.00 63.50 C ATOM 463 CG LYS A 611 -3.611 1.039 -13.769 1.00 42.32 C ATOM 464 CD LYS A 611 -3.720 0.718 -15.244 1.00 31.22 C ATOM 465 CE LYS A 611 -5.159 0.819 -15.714 1.00 51.42 C ATOM 466 NZ LYS A 611 -5.299 0.480 -17.140 1.00 34.25 N ATOM 0 H LYS A 611 -3.369 -0.323 -11.481 1.00 52.11 H new ATOM 0 HA LYS A 611 -0.941 1.173 -11.539 1.00 62.40 H new ATOM 0 HB2 LYS A 611 -1.559 1.641 -13.842 1.00 63.50 H new ATOM 0 HB3 LYS A 611 -1.797 -0.057 -13.480 1.00 63.50 H new ATOM 0 HG2 LYS A 611 -4.238 0.352 -13.200 1.00 42.32 H new ATOM 0 HG3 LYS A 611 -3.993 2.044 -13.587 1.00 42.32 H new ATOM 0 HD2 LYS A 611 -3.097 1.405 -15.817 1.00 31.22 H new ATOM 0 HD3 LYS A 611 -3.342 -0.287 -15.431 1.00 31.22 H new ATOM 0 HE2 LYS A 611 -5.782 0.151 -15.120 1.00 51.42 H new ATOM 0 HE3 LYS A 611 -5.525 1.831 -15.544 1.00 51.42 H new ATOM 0 HZ1 LYS A 611 -6.297 0.562 -17.420 1.00 34.25 H new ATOM 0 HZ2 LYS A 611 -4.725 1.133 -17.710 1.00 34.25 H new ATOM 0 HZ3 LYS A 611 -4.974 -0.495 -17.299 1.00 34.25 H new ATOM 480 N ASP A 612 -3.731 2.726 -10.955 1.00 53.20 N ATOM 481 CA ASP A 612 -4.375 3.999 -10.620 1.00 55.20 C ATOM 482 C ASP A 612 -4.007 4.425 -9.211 1.00 72.32 C ATOM 483 O ASP A 612 -4.150 5.599 -8.844 1.00 20.13 O ATOM 484 CB ASP A 612 -5.894 3.863 -10.720 1.00 71.43 C ATOM 485 CG ASP A 612 -6.356 3.427 -12.084 1.00 34.22 C ATOM 486 OD1 ASP A 612 -6.572 4.290 -12.956 1.00 41.10 O ATOM 487 OD2 ASP A 612 -6.505 2.212 -12.302 1.00 35.12 O ATOM 0 H ASP A 612 -4.313 1.908 -10.774 1.00 53.20 H new ATOM 0 HA ASP A 612 -4.028 4.753 -11.327 1.00 55.20 H new ATOM 0 HB2 ASP A 612 -6.238 3.143 -9.978 1.00 71.43 H new ATOM 0 HB3 ASP A 612 -6.356 4.819 -10.474 1.00 71.43 H new ATOM 492 N ALA A 613 -3.520 3.454 -8.437 1.00 53.42 N ATOM 493 CA ALA A 613 -3.134 3.624 -7.036 1.00 73.00 C ATOM 494 C ALA A 613 -4.330 3.907 -6.119 1.00 44.44 C ATOM 495 O ALA A 613 -5.456 4.130 -6.572 1.00 71.51 O ATOM 496 CB ALA A 613 -2.042 4.678 -6.872 1.00 35.41 C ATOM 0 H ALA A 613 -3.380 2.502 -8.777 1.00 53.42 H new ATOM 0 HA ALA A 613 -2.720 2.667 -6.718 1.00 73.00 H new ATOM 0 HB1 ALA A 613 -1.784 4.774 -5.817 1.00 35.41 H new ATOM 0 HB2 ALA A 613 -1.159 4.378 -7.436 1.00 35.41 H new ATOM 0 HB3 ALA A 613 -2.402 5.636 -7.246 1.00 35.41 H new ATOM 502 N TYR A 614 -4.067 3.857 -4.845 1.00 52.15 N ATOM 503 CA TYR A 614 -5.048 4.099 -3.800 1.00 64.44 C ATOM 504 C TYR A 614 -4.906 5.498 -3.267 1.00 55.32 C ATOM 505 O TYR A 614 -3.800 6.043 -3.228 1.00 3.33 O ATOM 506 CB TYR A 614 -4.839 3.110 -2.646 1.00 43.52 C ATOM 507 CG TYR A 614 -5.116 1.681 -3.014 1.00 74.30 C ATOM 508 CD1 TYR A 614 -4.231 0.965 -3.802 1.00 51.32 C ATOM 509 CD2 TYR A 614 -6.268 1.048 -2.581 1.00 14.03 C ATOM 510 CE1 TYR A 614 -4.488 -0.324 -4.155 1.00 62.21 C ATOM 511 CE2 TYR A 614 -6.530 -0.256 -2.927 1.00 22.12 C ATOM 512 CZ TYR A 614 -5.639 -0.936 -3.715 1.00 54.23 C ATOM 513 OH TYR A 614 -5.895 -2.227 -4.075 1.00 12.30 O ATOM 0 H TYR A 614 -3.138 3.641 -4.483 1.00 52.15 H new ATOM 0 HA TYR A 614 -6.043 3.968 -4.226 1.00 64.44 H new ATOM 0 HB2 TYR A 614 -3.811 3.191 -2.292 1.00 43.52 H new ATOM 0 HB3 TYR A 614 -5.486 3.393 -1.816 1.00 43.52 H new ATOM 0 HD1 TYR A 614 -3.321 1.437 -4.142 1.00 51.32 H new ATOM 0 HD2 TYR A 614 -6.971 1.586 -1.963 1.00 14.03 H new ATOM 0 HE1 TYR A 614 -3.791 -0.865 -4.778 1.00 62.21 H new ATOM 0 HE2 TYR A 614 -7.431 -0.741 -2.581 1.00 22.12 H new ATOM 0 HH TYR A 614 -5.066 -2.653 -4.378 1.00 12.30 H new ATOM 523 N LYS A 615 -5.997 6.075 -2.848 1.00 72.50 N ATOM 524 CA LYS A 615 -5.975 7.390 -2.295 1.00 31.42 C ATOM 525 C LYS A 615 -6.610 7.399 -0.926 1.00 73.44 C ATOM 526 O LYS A 615 -7.677 6.867 -0.735 1.00 54.40 O ATOM 527 CB LYS A 615 -6.610 8.403 -3.271 1.00 52.21 C ATOM 528 CG LYS A 615 -8.073 8.159 -3.630 1.00 54.13 C ATOM 529 CD LYS A 615 -9.074 8.833 -2.678 1.00 2.23 C ATOM 530 CE LYS A 615 -8.927 10.350 -2.696 1.00 33.50 C ATOM 531 NZ LYS A 615 -10.030 11.025 -1.986 1.00 10.24 N ATOM 0 H LYS A 615 -6.921 5.645 -2.882 1.00 72.50 H new ATOM 0 HA LYS A 615 -4.941 7.706 -2.157 1.00 31.42 H new ATOM 0 HB2 LYS A 615 -6.524 9.399 -2.836 1.00 52.21 H new ATOM 0 HB3 LYS A 615 -6.026 8.406 -4.191 1.00 52.21 H new ATOM 0 HG2 LYS A 615 -8.252 8.519 -4.643 1.00 54.13 H new ATOM 0 HG3 LYS A 615 -8.260 7.085 -3.636 1.00 54.13 H new ATOM 0 HD2 LYS A 615 -10.090 8.561 -2.965 1.00 2.23 H new ATOM 0 HD3 LYS A 615 -8.919 8.463 -1.664 1.00 2.23 H new ATOM 0 HE2 LYS A 615 -7.978 10.627 -2.237 1.00 33.50 H new ATOM 0 HE3 LYS A 615 -8.895 10.698 -3.728 1.00 33.50 H new ATOM 0 HZ1 LYS A 615 -9.731 11.983 -1.711 1.00 10.24 H new ATOM 0 HZ2 LYS A 615 -10.859 11.087 -2.611 1.00 10.24 H new ATOM 0 HZ3 LYS A 615 -10.278 10.482 -1.134 1.00 10.24 H new ATOM 545 N VAL A 616 -5.927 7.971 0.006 1.00 50.41 N ATOM 546 CA VAL A 616 -6.394 8.077 1.366 1.00 21.42 C ATOM 547 C VAL A 616 -6.652 9.535 1.617 1.00 4.32 C ATOM 548 O VAL A 616 -5.889 10.380 1.150 1.00 12.45 O ATOM 549 CB VAL A 616 -5.308 7.595 2.368 1.00 24.54 C ATOM 550 CG1 VAL A 616 -5.832 7.562 3.797 1.00 23.25 C ATOM 551 CG2 VAL A 616 -4.736 6.250 1.960 1.00 62.32 C ATOM 0 H VAL A 616 -5.010 8.389 -0.148 1.00 50.41 H new ATOM 0 HA VAL A 616 -7.284 7.463 1.503 1.00 21.42 H new ATOM 0 HB VAL A 616 -4.497 8.323 2.337 1.00 24.54 H new ATOM 0 HG11 VAL A 616 -5.043 7.220 4.466 1.00 23.25 H new ATOM 0 HG12 VAL A 616 -6.149 8.562 4.091 1.00 23.25 H new ATOM 0 HG13 VAL A 616 -6.680 6.880 3.858 1.00 23.25 H new ATOM 0 HG21 VAL A 616 -3.980 5.942 2.682 1.00 62.32 H new ATOM 0 HG22 VAL A 616 -5.534 5.508 1.932 1.00 62.32 H new ATOM 0 HG23 VAL A 616 -4.283 6.332 0.972 1.00 62.32 H new ATOM 557 N GLU A 617 -7.691 9.847 2.308 1.00 25.30 N ATOM 558 CA GLU A 617 -8.014 11.212 2.553 1.00 42.44 C ATOM 559 C GLU A 617 -8.283 11.469 4.017 1.00 73.45 C ATOM 560 O GLU A 617 -8.973 10.702 4.692 1.00 3.42 O ATOM 561 CB GLU A 617 -9.206 11.661 1.692 1.00 52.33 C ATOM 562 CG GLU A 617 -10.485 10.881 1.940 1.00 21.11 C ATOM 563 CD GLU A 617 -11.609 11.326 1.060 1.00 20.41 C ATOM 564 OE1 GLU A 617 -12.337 12.261 1.426 1.00 74.02 O ATOM 565 OE2 GLU A 617 -11.775 10.751 -0.024 1.00 42.54 O ATOM 0 H GLU A 617 -8.337 9.172 2.717 1.00 25.30 H new ATOM 0 HA GLU A 617 -7.145 11.806 2.269 1.00 42.44 H new ATOM 0 HB2 GLU A 617 -9.397 12.718 1.879 1.00 52.33 H new ATOM 0 HB3 GLU A 617 -8.935 11.567 0.640 1.00 52.33 H new ATOM 0 HG2 GLU A 617 -10.297 9.820 1.775 1.00 21.11 H new ATOM 0 HG3 GLU A 617 -10.779 10.994 2.984 1.00 21.11 H new ATOM 572 N THR A 618 -7.696 12.512 4.501 1.00 12.33 N ATOM 573 CA THR A 618 -7.945 13.010 5.815 1.00 72.31 C ATOM 574 C THR A 618 -8.186 14.485 5.652 1.00 22.31 C ATOM 575 O THR A 618 -8.042 14.998 4.539 1.00 74.11 O ATOM 576 CB THR A 618 -6.741 12.778 6.776 1.00 75.33 C ATOM 577 OG1 THR A 618 -5.546 13.366 6.225 1.00 25.21 O ATOM 578 CG2 THR A 618 -6.515 11.295 7.032 1.00 63.52 C ATOM 0 H THR A 618 -7.010 13.058 3.980 1.00 12.33 H new ATOM 0 HA THR A 618 -8.793 12.489 6.259 1.00 72.31 H new ATOM 0 HB THR A 618 -6.975 13.256 7.727 1.00 75.33 H new ATOM 0 HG1 THR A 618 -5.648 13.466 5.255 1.00 25.21 H new ATOM 0 HG21 THR A 618 -5.668 11.167 7.706 1.00 63.52 H new ATOM 0 HG22 THR A 618 -7.408 10.864 7.485 1.00 63.52 H new ATOM 0 HG23 THR A 618 -6.307 10.790 6.088 1.00 63.52 H new ATOM 584 N ASP A 619 -8.535 15.172 6.699 1.00 4.12 N ATOM 585 CA ASP A 619 -8.759 16.616 6.600 1.00 31.11 C ATOM 586 C ASP A 619 -7.450 17.340 6.405 1.00 10.42 C ATOM 587 O ASP A 619 -7.406 18.436 5.876 1.00 73.13 O ATOM 588 CB ASP A 619 -9.451 17.162 7.849 1.00 52.44 C ATOM 589 CG ASP A 619 -10.820 16.596 8.065 1.00 44.33 C ATOM 590 OD1 ASP A 619 -11.797 17.148 7.514 1.00 53.34 O ATOM 591 OD2 ASP A 619 -10.949 15.589 8.795 1.00 11.41 O ATOM 0 H ASP A 619 -8.674 14.778 7.629 1.00 4.12 H new ATOM 0 HA ASP A 619 -9.406 16.786 5.739 1.00 31.11 H new ATOM 0 HB2 ASP A 619 -8.834 16.945 8.721 1.00 52.44 H new ATOM 0 HB3 ASP A 619 -9.522 18.247 7.771 1.00 52.44 H new ATOM 596 N LYS A 620 -6.393 16.700 6.807 1.00 3.42 N ATOM 597 CA LYS A 620 -5.085 17.287 6.778 1.00 50.33 C ATOM 598 C LYS A 620 -4.344 16.976 5.471 1.00 0.42 C ATOM 599 O LYS A 620 -3.886 17.893 4.778 1.00 22.14 O ATOM 600 CB LYS A 620 -4.312 16.796 7.999 1.00 73.24 C ATOM 601 CG LYS A 620 -5.000 17.175 9.309 1.00 35.32 C ATOM 602 CD LYS A 620 -4.382 16.505 10.523 1.00 43.52 C ATOM 603 CE LYS A 620 -2.937 16.888 10.749 1.00 72.12 C ATOM 604 NZ LYS A 620 -2.392 16.216 11.947 1.00 54.24 N ATOM 0 H LYS A 620 -6.414 15.746 7.168 1.00 3.42 H new ATOM 0 HA LYS A 620 -5.175 18.373 6.815 1.00 50.33 H new ATOM 0 HB2 LYS A 620 -4.205 15.713 7.947 1.00 73.24 H new ATOM 0 HB3 LYS A 620 -3.307 17.217 7.984 1.00 73.24 H new ATOM 0 HG2 LYS A 620 -4.955 18.257 9.436 1.00 35.32 H new ATOM 0 HG3 LYS A 620 -6.054 16.905 9.250 1.00 35.32 H new ATOM 0 HD2 LYS A 620 -4.962 16.767 11.408 1.00 43.52 H new ATOM 0 HD3 LYS A 620 -4.450 15.423 10.406 1.00 43.52 H new ATOM 0 HE2 LYS A 620 -2.344 16.618 9.875 1.00 72.12 H new ATOM 0 HE3 LYS A 620 -2.858 17.969 10.866 1.00 72.12 H new ATOM 0 HZ1 LYS A 620 -1.399 16.495 12.080 1.00 54.24 H new ATOM 0 HZ2 LYS A 620 -2.945 16.494 12.783 1.00 54.24 H new ATOM 0 HZ3 LYS A 620 -2.448 15.185 11.822 1.00 54.24 H new ATOM 618 N TYR A 621 -4.240 15.701 5.114 1.00 11.43 N ATOM 619 CA TYR A 621 -3.480 15.322 3.924 1.00 31.55 C ATOM 620 C TYR A 621 -4.248 14.301 3.090 1.00 2.33 C ATOM 621 O TYR A 621 -5.158 13.621 3.593 1.00 44.23 O ATOM 622 CB TYR A 621 -2.142 14.662 4.322 1.00 24.51 C ATOM 623 CG TYR A 621 -1.303 15.416 5.329 1.00 60.45 C ATOM 624 CD1 TYR A 621 -0.476 16.455 4.945 1.00 43.43 C ATOM 625 CD2 TYR A 621 -1.347 15.073 6.676 1.00 24.40 C ATOM 626 CE1 TYR A 621 0.282 17.134 5.875 1.00 70.54 C ATOM 627 CE2 TYR A 621 -0.593 15.747 7.607 1.00 63.13 C ATOM 628 CZ TYR A 621 0.218 16.777 7.204 1.00 2.32 C ATOM 629 OH TYR A 621 0.976 17.454 8.136 1.00 64.21 O ATOM 0 H TYR A 621 -4.663 14.923 5.620 1.00 11.43 H new ATOM 0 HA TYR A 621 -3.309 16.234 3.352 1.00 31.55 H new ATOM 0 HB2 TYR A 621 -2.354 13.672 4.725 1.00 24.51 H new ATOM 0 HB3 TYR A 621 -1.548 14.518 3.419 1.00 24.51 H new ATOM 0 HD1 TYR A 621 -0.423 16.738 3.904 1.00 43.43 H new ATOM 0 HD2 TYR A 621 -1.985 14.263 6.996 1.00 24.40 H new ATOM 0 HE1 TYR A 621 0.924 17.944 5.562 1.00 70.54 H new ATOM 0 HE2 TYR A 621 -0.639 15.467 8.649 1.00 63.13 H new ATOM 0 HH TYR A 621 0.813 17.078 9.026 1.00 64.21 H new ATOM 639 N GLU A 622 -3.901 14.210 1.835 1.00 2.11 N ATOM 640 CA GLU A 622 -4.380 13.156 0.989 1.00 43.24 C ATOM 641 C GLU A 622 -3.180 12.318 0.601 1.00 0.02 C ATOM 642 O GLU A 622 -2.149 12.854 0.193 1.00 34.23 O ATOM 643 CB GLU A 622 -5.132 13.668 -0.266 1.00 51.44 C ATOM 644 CG GLU A 622 -4.317 14.541 -1.211 1.00 1.10 C ATOM 645 CD GLU A 622 -5.068 14.881 -2.475 1.00 74.03 C ATOM 646 OE1 GLU A 622 -5.844 15.843 -2.475 1.00 45.33 O ATOM 647 OE2 GLU A 622 -4.908 14.157 -3.493 1.00 32.43 O ATOM 0 H GLU A 622 -3.276 14.868 1.371 1.00 2.11 H new ATOM 0 HA GLU A 622 -5.117 12.568 1.536 1.00 43.24 H new ATOM 0 HB2 GLU A 622 -5.501 12.807 -0.823 1.00 51.44 H new ATOM 0 HB3 GLU A 622 -6.005 14.234 0.061 1.00 51.44 H new ATOM 0 HG2 GLU A 622 -4.037 15.462 -0.699 1.00 1.10 H new ATOM 0 HG3 GLU A 622 -3.392 14.026 -1.469 1.00 1.10 H new ATOM 654 N PHE A 623 -3.287 11.043 0.750 1.00 2.13 N ATOM 655 CA PHE A 623 -2.178 10.169 0.479 1.00 42.11 C ATOM 656 C PHE A 623 -2.490 9.316 -0.699 1.00 61.54 C ATOM 657 O PHE A 623 -3.625 8.940 -0.909 1.00 41.35 O ATOM 658 CB PHE A 623 -1.874 9.279 1.686 1.00 60.32 C ATOM 659 CG PHE A 623 -1.564 10.038 2.936 1.00 20.14 C ATOM 660 CD1 PHE A 623 -2.582 10.470 3.770 1.00 60.24 C ATOM 661 CD2 PHE A 623 -0.261 10.328 3.272 1.00 23.54 C ATOM 662 CE1 PHE A 623 -2.300 11.172 4.914 1.00 61.13 C ATOM 663 CE2 PHE A 623 0.027 11.031 4.416 1.00 63.20 C ATOM 664 CZ PHE A 623 -0.991 11.455 5.235 1.00 74.35 C ATOM 0 H PHE A 623 -4.136 10.570 1.061 1.00 2.13 H new ATOM 0 HA PHE A 623 -1.301 10.782 0.271 1.00 42.11 H new ATOM 0 HB2 PHE A 623 -2.729 8.629 1.870 1.00 60.32 H new ATOM 0 HB3 PHE A 623 -1.029 8.634 1.446 1.00 60.32 H new ATOM 0 HD1 PHE A 623 -3.609 10.252 3.517 1.00 60.24 H new ATOM 0 HD2 PHE A 623 0.543 9.999 2.630 1.00 23.54 H new ATOM 0 HE1 PHE A 623 -3.101 11.501 5.560 1.00 61.13 H new ATOM 0 HE2 PHE A 623 1.053 11.250 4.672 1.00 63.20 H new ATOM 0 HZ PHE A 623 -0.764 12.011 6.132 1.00 74.35 H new ATOM 674 N HIS A 624 -1.514 9.053 -1.484 1.00 14.15 N ATOM 675 CA HIS A 624 -1.667 8.180 -2.605 1.00 12.21 C ATOM 676 C HIS A 624 -0.645 7.092 -2.475 1.00 44.32 C ATOM 677 O HIS A 624 0.561 7.370 -2.422 1.00 23.14 O ATOM 678 CB HIS A 624 -1.541 8.945 -3.930 1.00 23.33 C ATOM 679 CG HIS A 624 -2.603 10.011 -4.120 1.00 73.32 C ATOM 680 ND1 HIS A 624 -3.696 9.857 -4.940 1.00 12.55 N ATOM 681 CD2 HIS A 624 -2.721 11.260 -3.578 1.00 54.41 C ATOM 682 CE1 HIS A 624 -4.438 10.950 -4.895 1.00 13.50 C ATOM 683 NE2 HIS A 624 -3.868 11.811 -4.081 1.00 40.40 N ATOM 0 H HIS A 624 -0.575 9.436 -1.373 1.00 14.15 H new ATOM 0 HA HIS A 624 -2.665 7.741 -2.614 1.00 12.21 H new ATOM 0 HB2 HIS A 624 -0.557 9.412 -3.978 1.00 23.33 H new ATOM 0 HB3 HIS A 624 -1.598 8.236 -4.756 1.00 23.33 H new ATOM 0 HD2 HIS A 624 -2.037 11.725 -2.883 1.00 54.41 H new ATOM 0 HE1 HIS A 624 -5.359 11.109 -5.436 1.00 13.50 H new ATOM 0 HE2 HIS A 624 -4.224 12.741 -3.860 1.00 40.40 H new ATOM 692 N ILE A 625 -1.118 5.871 -2.390 1.00 31.32 N ATOM 693 CA ILE A 625 -0.273 4.724 -2.102 1.00 64.44 C ATOM 694 C ILE A 625 -0.589 3.618 -3.080 1.00 73.52 C ATOM 695 O ILE A 625 -1.700 3.539 -3.587 1.00 42.21 O ATOM 696 CB ILE A 625 -0.568 4.179 -0.669 1.00 24.43 C ATOM 697 CG1 ILE A 625 -0.496 5.299 0.357 1.00 60.21 C ATOM 698 CG2 ILE A 625 0.401 3.053 -0.288 1.00 13.51 C ATOM 699 CD1 ILE A 625 -0.804 4.849 1.752 1.00 25.34 C ATOM 0 H ILE A 625 -2.103 5.639 -2.518 1.00 31.32 H new ATOM 0 HA ILE A 625 0.769 5.035 -2.179 1.00 64.44 H new ATOM 0 HB ILE A 625 -1.578 3.770 -0.675 1.00 24.43 H new ATOM 0 HG12 ILE A 625 0.502 5.737 0.336 1.00 60.21 H new ATOM 0 HG13 ILE A 625 -1.195 6.086 0.074 1.00 60.21 H new ATOM 0 HG21 ILE A 625 0.168 2.696 0.715 1.00 13.51 H new ATOM 0 HG22 ILE A 625 0.301 2.232 -0.997 1.00 13.51 H new ATOM 0 HG23 ILE A 625 1.424 3.430 -0.311 1.00 13.51 H new ATOM 0 HD11 ILE A 625 -0.734 5.698 2.432 1.00 25.34 H new ATOM 0 HD12 ILE A 625 -1.813 4.438 1.787 1.00 25.34 H new ATOM 0 HD13 ILE A 625 -0.089 4.083 2.053 1.00 25.34 H new ATOM 706 N ASN A 626 0.363 2.788 -3.346 1.00 0.21 N ATOM 707 CA ASN A 626 0.162 1.660 -4.197 1.00 2.44 C ATOM 708 C ASN A 626 0.995 0.537 -3.642 1.00 31.54 C ATOM 709 O ASN A 626 1.970 0.803 -2.980 1.00 72.20 O ATOM 710 CB ASN A 626 0.529 2.019 -5.627 1.00 12.13 C ATOM 711 CG ASN A 626 0.141 0.979 -6.625 1.00 30.04 C ATOM 712 OD1 ASN A 626 -0.754 0.151 -6.382 1.00 61.13 O ATOM 713 ND2 ASN A 626 0.720 1.067 -7.772 1.00 3.52 N ATOM 0 H ASN A 626 1.310 2.872 -2.977 1.00 0.21 H new ATOM 0 HA ASN A 626 -0.882 1.348 -4.224 1.00 2.44 H new ATOM 0 HB2 ASN A 626 0.048 2.961 -5.891 1.00 12.13 H new ATOM 0 HB3 ASN A 626 1.605 2.183 -5.686 1.00 12.13 H new ATOM 0 HD21 ASN A 626 0.449 0.440 -8.530 1.00 3.52 H new ATOM 0 HD22 ASN A 626 1.450 1.764 -7.923 1.00 3.52 H new ATOM 719 N VAL A 627 0.593 -0.695 -3.858 1.00 40.35 N ATOM 720 CA VAL A 627 1.276 -1.843 -3.242 1.00 61.14 C ATOM 721 C VAL A 627 2.674 -2.067 -3.810 1.00 61.00 C ATOM 722 O VAL A 627 3.591 -2.438 -3.105 1.00 74.05 O ATOM 723 CB VAL A 627 0.418 -3.134 -3.316 1.00 52.22 C ATOM 724 CG1 VAL A 627 1.125 -4.322 -2.662 1.00 73.22 C ATOM 725 CG2 VAL A 627 -0.917 -2.893 -2.645 1.00 41.44 C ATOM 0 H VAL A 627 -0.199 -0.942 -4.451 1.00 40.35 H new ATOM 0 HA VAL A 627 1.403 -1.594 -2.188 1.00 61.14 H new ATOM 0 HB VAL A 627 0.266 -3.379 -4.367 1.00 52.22 H new ATOM 0 HG11 VAL A 627 0.492 -5.207 -2.734 1.00 73.22 H new ATOM 0 HG12 VAL A 627 2.070 -4.509 -3.172 1.00 73.22 H new ATOM 0 HG13 VAL A 627 1.317 -4.098 -1.613 1.00 73.22 H new ATOM 0 HG21 VAL A 627 -1.519 -3.800 -2.697 1.00 41.44 H new ATOM 0 HG22 VAL A 627 -0.756 -2.624 -1.601 1.00 41.44 H new ATOM 0 HG23 VAL A 627 -1.438 -2.082 -3.153 1.00 41.44 H new ATOM 731 N CYS A 628 2.819 -1.824 -5.049 1.00 64.50 N ATOM 732 CA CYS A 628 4.091 -1.968 -5.694 1.00 43.10 C ATOM 733 C CYS A 628 4.240 -0.924 -6.772 1.00 15.03 C ATOM 734 O CYS A 628 3.273 -0.601 -7.474 1.00 11.13 O ATOM 735 CB CYS A 628 4.209 -3.345 -6.352 1.00 62.34 C ATOM 736 SG CYS A 628 4.071 -4.783 -5.247 1.00 32.11 S ATOM 0 H CYS A 628 2.065 -1.517 -5.663 1.00 64.50 H new ATOM 0 HA CYS A 628 4.866 -1.852 -4.937 1.00 43.10 H new ATOM 0 HB2 CYS A 628 3.436 -3.426 -7.116 1.00 62.34 H new ATOM 0 HB3 CYS A 628 5.170 -3.398 -6.864 1.00 62.34 H new ATOM 741 N GLY A 629 5.430 -0.418 -6.917 1.00 63.03 N ATOM 742 CA GLY A 629 5.716 0.496 -7.986 1.00 65.03 C ATOM 743 C GLY A 629 5.361 1.916 -7.626 1.00 22.53 C ATOM 744 O GLY A 629 5.355 2.272 -6.449 1.00 12.21 O ATOM 0 H GLY A 629 6.221 -0.623 -6.307 1.00 63.03 H new ATOM 0 HA2 GLY A 629 6.775 0.440 -8.237 1.00 65.03 H new ATOM 0 HA3 GLY A 629 5.161 0.198 -8.876 1.00 65.03 H new ATOM 748 N PRO A 630 5.113 2.767 -8.612 1.00 5.14 N ATOM 749 CA PRO A 630 4.729 4.135 -8.369 1.00 35.14 C ATOM 750 C PRO A 630 3.219 4.294 -8.206 1.00 64.44 C ATOM 751 O PRO A 630 2.449 3.323 -8.343 1.00 32.53 O ATOM 752 CB PRO A 630 5.208 4.843 -9.630 1.00 55.32 C ATOM 753 CG PRO A 630 5.068 3.822 -10.712 1.00 41.32 C ATOM 754 CD PRO A 630 5.217 2.470 -10.057 1.00 5.20 C ATOM 0 HA PRO A 630 5.153 4.530 -7.445 1.00 35.14 H new ATOM 0 HB2 PRO A 630 4.607 5.728 -9.840 1.00 55.32 H new ATOM 0 HB3 PRO A 630 6.241 5.175 -9.530 1.00 55.32 H new ATOM 0 HG2 PRO A 630 4.099 3.909 -11.203 1.00 41.32 H new ATOM 0 HG3 PRO A 630 5.828 3.966 -11.480 1.00 41.32 H new ATOM 0 HD2 PRO A 630 4.438 1.780 -10.381 1.00 5.20 H new ATOM 0 HD3 PRO A 630 6.174 2.009 -10.303 1.00 5.20 H new ATOM 762 N VAL A 631 2.812 5.494 -7.888 1.00 5.34 N ATOM 763 CA VAL A 631 1.415 5.837 -7.765 1.00 41.41 C ATOM 764 C VAL A 631 1.007 6.779 -8.875 1.00 24.55 C ATOM 765 O VAL A 631 1.823 7.582 -9.348 1.00 23.02 O ATOM 766 CB VAL A 631 1.100 6.513 -6.395 1.00 61.23 C ATOM 767 CG1 VAL A 631 1.305 5.545 -5.274 1.00 73.50 C ATOM 768 CG2 VAL A 631 1.967 7.749 -6.168 1.00 25.34 C ATOM 0 H VAL A 631 3.446 6.272 -7.704 1.00 5.34 H new ATOM 0 HA VAL A 631 0.851 4.906 -7.832 1.00 41.41 H new ATOM 0 HB VAL A 631 0.056 6.825 -6.418 1.00 61.23 H new ATOM 0 HG11 VAL A 631 1.081 6.034 -4.326 1.00 73.50 H new ATOM 0 HG12 VAL A 631 0.643 4.689 -5.407 1.00 73.50 H new ATOM 0 HG13 VAL A 631 2.341 5.206 -5.271 1.00 73.50 H new ATOM 0 HG21 VAL A 631 1.721 8.194 -5.204 1.00 25.34 H new ATOM 0 HG22 VAL A 631 3.019 7.462 -6.177 1.00 25.34 H new ATOM 0 HG23 VAL A 631 1.782 8.474 -6.961 1.00 25.34 H new ATOM 774 N SER A 632 -0.211 6.671 -9.331 1.00 11.44 N ATOM 775 CA SER A 632 -0.700 7.647 -10.280 1.00 13.01 C ATOM 776 C SER A 632 -1.428 8.758 -9.536 1.00 43.35 C ATOM 777 O SER A 632 -2.354 8.498 -8.756 1.00 64.31 O ATOM 778 CB SER A 632 -1.600 6.984 -11.315 1.00 31.10 C ATOM 779 OG SER A 632 -0.857 6.038 -12.087 1.00 32.00 O ATOM 0 H SER A 632 -0.873 5.939 -9.073 1.00 11.44 H new ATOM 0 HA SER A 632 0.142 8.085 -10.816 1.00 13.01 H new ATOM 0 HB2 SER A 632 -2.431 6.484 -10.817 1.00 31.10 H new ATOM 0 HB3 SER A 632 -2.030 7.741 -11.971 1.00 31.10 H new ATOM 0 HG SER A 632 -0.987 5.140 -11.717 1.00 32.00 H new ATOM 785 N VAL A 633 -1.009 9.997 -9.774 1.00 32.13 N ATOM 786 CA VAL A 633 -1.553 11.166 -9.087 1.00 30.21 C ATOM 787 C VAL A 633 -1.372 12.362 -10.004 1.00 25.52 C ATOM 788 O VAL A 633 -0.350 12.460 -10.692 1.00 74.41 O ATOM 789 CB VAL A 633 -0.768 11.503 -7.769 1.00 12.35 C ATOM 790 CG1 VAL A 633 -1.496 12.533 -6.924 1.00 33.41 C ATOM 791 CG2 VAL A 633 -0.427 10.285 -6.943 1.00 65.40 C ATOM 0 H VAL A 633 -0.280 10.220 -10.451 1.00 32.13 H new ATOM 0 HA VAL A 633 -2.593 10.954 -8.840 1.00 30.21 H new ATOM 0 HB VAL A 633 0.177 11.933 -8.100 1.00 12.35 H new ATOM 0 HG11 VAL A 633 -0.919 12.737 -6.022 1.00 33.41 H new ATOM 0 HG12 VAL A 633 -1.615 13.454 -7.495 1.00 33.41 H new ATOM 0 HG13 VAL A 633 -2.478 12.148 -6.647 1.00 33.41 H new ATOM 0 HG21 VAL A 633 0.114 10.592 -6.048 1.00 65.40 H new ATOM 0 HG22 VAL A 633 -1.345 9.773 -6.654 1.00 65.40 H new ATOM 0 HG23 VAL A 633 0.196 9.610 -7.530 1.00 65.40 H new ATOM 797 N GLY A 634 -2.320 13.269 -10.003 1.00 21.04 N ATOM 798 CA GLY A 634 -2.210 14.458 -10.831 1.00 31.21 C ATOM 799 C GLY A 634 -1.277 15.505 -10.244 1.00 4.52 C ATOM 800 O GLY A 634 -0.872 16.439 -10.931 1.00 44.33 O ATOM 0 H GLY A 634 -3.172 13.213 -9.445 1.00 21.04 H new ATOM 0 HA2 GLY A 634 -1.852 14.173 -11.820 1.00 31.21 H new ATOM 0 HA3 GLY A 634 -3.200 14.895 -10.964 1.00 31.21 H new ATOM 804 N ALA A 635 -0.908 15.334 -8.991 1.00 33.42 N ATOM 805 CA ALA A 635 -0.094 16.317 -8.291 1.00 13.50 C ATOM 806 C ALA A 635 1.193 15.717 -7.711 1.00 61.31 C ATOM 807 O ALA A 635 1.872 16.366 -6.904 1.00 43.43 O ATOM 808 CB ALA A 635 -0.919 16.941 -7.178 1.00 43.12 C ATOM 0 H ALA A 635 -1.159 14.520 -8.430 1.00 33.42 H new ATOM 0 HA ALA A 635 0.209 17.072 -9.016 1.00 13.50 H new ATOM 0 HB1 ALA A 635 -0.316 17.679 -6.648 1.00 43.12 H new ATOM 0 HB2 ALA A 635 -1.796 17.427 -7.604 1.00 43.12 H new ATOM 0 HB3 ALA A 635 -1.237 16.165 -6.482 1.00 43.12 H new ATOM 814 N CYS A 636 1.550 14.517 -8.133 1.00 33.15 N ATOM 815 CA CYS A 636 2.735 13.849 -7.584 1.00 72.24 C ATOM 816 C CYS A 636 3.587 13.242 -8.683 1.00 0.10 C ATOM 817 O CYS A 636 3.081 12.974 -9.782 1.00 13.00 O ATOM 818 CB CYS A 636 2.335 12.763 -6.579 1.00 34.30 C ATOM 819 SG CYS A 636 1.434 13.369 -5.124 1.00 72.35 S ATOM 0 H CYS A 636 1.049 13.984 -8.844 1.00 33.15 H new ATOM 0 HA CYS A 636 3.324 14.608 -7.069 1.00 72.24 H new ATOM 0 HB2 CYS A 636 1.717 12.024 -7.090 1.00 34.30 H new ATOM 0 HB3 CYS A 636 3.235 12.249 -6.243 1.00 34.30 H new ATOM 824 N PRO A 637 4.905 13.048 -8.422 1.00 72.20 N ATOM 825 CA PRO A 637 5.818 12.413 -9.376 1.00 1.32 C ATOM 826 C PRO A 637 5.423 10.950 -9.634 1.00 15.44 C ATOM 827 O PRO A 637 5.221 10.169 -8.693 1.00 45.40 O ATOM 828 CB PRO A 637 7.180 12.479 -8.659 1.00 5.44 C ATOM 829 CG PRO A 637 6.845 12.627 -7.218 1.00 0.10 C ATOM 830 CD PRO A 637 5.611 13.455 -7.185 1.00 43.23 C ATOM 0 HA PRO A 637 5.814 12.901 -10.350 1.00 1.32 H new ATOM 0 HB2 PRO A 637 7.765 11.577 -8.838 1.00 5.44 H new ATOM 0 HB3 PRO A 637 7.774 13.321 -9.015 1.00 5.44 H new ATOM 0 HG2 PRO A 637 6.680 11.656 -6.751 1.00 0.10 H new ATOM 0 HG3 PRO A 637 7.657 13.109 -6.673 1.00 0.10 H new ATOM 0 HD2 PRO A 637 5.014 13.255 -6.295 1.00 43.23 H new ATOM 0 HD3 PRO A 637 5.840 14.521 -7.183 1.00 43.23 H new ATOM 838 N PRO A 638 5.340 10.550 -10.907 1.00 43.21 N ATOM 839 CA PRO A 638 4.896 9.205 -11.295 1.00 64.11 C ATOM 840 C PRO A 638 5.992 8.138 -11.157 1.00 60.34 C ATOM 841 O PRO A 638 5.885 7.056 -11.729 1.00 21.44 O ATOM 842 CB PRO A 638 4.516 9.391 -12.763 1.00 44.42 C ATOM 843 CG PRO A 638 5.439 10.451 -13.253 1.00 41.41 C ATOM 844 CD PRO A 638 5.659 11.385 -12.092 1.00 23.11 C ATOM 0 HA PRO A 638 4.089 8.844 -10.657 1.00 64.11 H new ATOM 0 HB2 PRO A 638 4.639 8.466 -13.326 1.00 44.42 H new ATOM 0 HB3 PRO A 638 3.474 9.692 -12.869 1.00 44.42 H new ATOM 0 HG2 PRO A 638 6.382 10.021 -13.591 1.00 41.41 H new ATOM 0 HG3 PRO A 638 5.008 10.981 -14.103 1.00 41.41 H new ATOM 0 HD2 PRO A 638 6.685 11.750 -12.060 1.00 23.11 H new ATOM 0 HD3 PRO A 638 5.011 12.259 -12.153 1.00 23.11 H new ATOM 852 N ASP A 639 7.025 8.443 -10.401 1.00 62.34 N ATOM 853 CA ASP A 639 8.131 7.511 -10.172 1.00 41.42 C ATOM 854 C ASP A 639 8.211 7.193 -8.687 1.00 61.35 C ATOM 855 O ASP A 639 9.057 6.417 -8.237 1.00 53.31 O ATOM 856 CB ASP A 639 9.465 8.128 -10.612 1.00 42.21 C ATOM 857 CG ASP A 639 9.956 9.209 -9.664 1.00 54.11 C ATOM 858 OD1 ASP A 639 9.267 10.232 -9.500 1.00 43.45 O ATOM 859 OD2 ASP A 639 11.053 9.048 -9.088 1.00 21.21 O ATOM 0 H ASP A 639 7.131 9.339 -9.925 1.00 62.34 H new ATOM 0 HA ASP A 639 7.949 6.607 -10.753 1.00 41.42 H new ATOM 0 HB2 ASP A 639 10.218 7.343 -10.681 1.00 42.21 H new ATOM 0 HB3 ASP A 639 9.353 8.551 -11.610 1.00 42.21 H new ATOM 864 N SER A 640 7.337 7.793 -7.932 1.00 10.21 N ATOM 865 CA SER A 640 7.303 7.606 -6.515 1.00 34.22 C ATOM 866 C SER A 640 6.080 6.770 -6.152 1.00 5.43 C ATOM 867 O SER A 640 5.045 6.872 -6.814 1.00 1.51 O ATOM 868 CB SER A 640 7.274 8.962 -5.841 1.00 24.42 C ATOM 869 OG SER A 640 8.405 9.732 -6.257 1.00 62.04 O ATOM 0 H SER A 640 6.624 8.430 -8.287 1.00 10.21 H new ATOM 0 HA SER A 640 8.190 7.074 -6.172 1.00 34.22 H new ATOM 0 HB2 SER A 640 6.352 9.485 -6.095 1.00 24.42 H new ATOM 0 HB3 SER A 640 7.283 8.841 -4.758 1.00 24.42 H new ATOM 0 HG SER A 640 8.230 10.120 -7.140 1.00 62.04 H new ATOM 875 N GLY A 641 6.205 5.940 -5.135 1.00 11.41 N ATOM 876 CA GLY A 641 5.131 5.033 -4.781 1.00 53.52 C ATOM 877 C GLY A 641 4.350 5.458 -3.560 1.00 74.43 C ATOM 878 O GLY A 641 3.445 4.750 -3.122 1.00 2.44 O ATOM 0 H GLY A 641 7.033 5.875 -4.543 1.00 11.41 H new ATOM 0 HA2 GLY A 641 4.448 4.947 -5.626 1.00 53.52 H new ATOM 0 HA3 GLY A 641 5.548 4.041 -4.606 1.00 53.52 H new ATOM 882 N ALA A 642 4.703 6.586 -2.996 1.00 54.23 N ATOM 883 CA ALA A 642 3.963 7.129 -1.885 1.00 73.52 C ATOM 884 C ALA A 642 4.038 8.652 -1.923 1.00 21.53 C ATOM 885 O ALA A 642 5.130 9.222 -1.931 1.00 71.01 O ATOM 886 CB ALA A 642 4.523 6.602 -0.572 1.00 31.33 C ATOM 0 H ALA A 642 5.502 7.148 -3.290 1.00 54.23 H new ATOM 0 HA ALA A 642 2.920 6.821 -1.960 1.00 73.52 H new ATOM 0 HB1 ALA A 642 3.955 7.020 0.259 1.00 31.33 H new ATOM 0 HB2 ALA A 642 4.446 5.515 -0.554 1.00 31.33 H new ATOM 0 HB3 ALA A 642 5.569 6.893 -0.480 1.00 31.33 H new ATOM 892 N CYS A 643 2.902 9.311 -1.951 1.00 5.44 N ATOM 893 CA CYS A 643 2.875 10.775 -2.014 1.00 63.21 C ATOM 894 C CYS A 643 1.705 11.357 -1.227 1.00 41.21 C ATOM 895 O CYS A 643 0.584 10.831 -1.292 1.00 13.20 O ATOM 896 CB CYS A 643 2.839 11.264 -3.459 1.00 13.43 C ATOM 897 SG CYS A 643 2.764 13.081 -3.630 1.00 23.42 S ATOM 0 H CYS A 643 1.983 8.869 -1.932 1.00 5.44 H new ATOM 0 HA CYS A 643 3.796 11.129 -1.551 1.00 63.21 H new ATOM 0 HB2 CYS A 643 3.725 10.897 -3.977 1.00 13.43 H new ATOM 0 HB3 CYS A 643 1.974 10.827 -3.958 1.00 13.43 H new ATOM 902 N GLN A 644 1.973 12.415 -0.468 1.00 64.04 N ATOM 903 CA GLN A 644 0.955 13.090 0.308 1.00 44.14 C ATOM 904 C GLN A 644 0.832 14.519 -0.137 1.00 4.32 C ATOM 905 O GLN A 644 1.837 15.196 -0.392 1.00 34.40 O ATOM 906 CB GLN A 644 1.240 13.064 1.827 1.00 15.12 C ATOM 907 CG GLN A 644 2.552 13.726 2.253 1.00 53.22 C ATOM 908 CD GLN A 644 2.727 13.795 3.767 1.00 22.21 C ATOM 909 OE1 GLN A 644 1.763 13.877 4.509 1.00 31.32 O ATOM 910 NE2 GLN A 644 3.962 13.781 4.227 1.00 30.03 N ATOM 0 H GLN A 644 2.903 12.823 -0.378 1.00 64.04 H new ATOM 0 HA GLN A 644 0.025 12.549 0.135 1.00 44.14 H new ATOM 0 HB2 GLN A 644 0.417 13.558 2.344 1.00 15.12 H new ATOM 0 HB3 GLN A 644 1.249 12.027 2.161 1.00 15.12 H new ATOM 0 HG2 GLN A 644 3.387 13.173 1.822 1.00 53.22 H new ATOM 0 HG3 GLN A 644 2.592 14.735 1.843 1.00 53.22 H new ATOM 0 HE21 GLN A 644 4.747 13.711 3.579 1.00 30.03 H new ATOM 0 HE22 GLN A 644 4.133 13.840 5.231 1.00 30.03 H new ATOM 918 N VAL A 645 -0.367 14.971 -0.246 1.00 63.25 N ATOM 919 CA VAL A 645 -0.629 16.335 -0.573 1.00 61.34 C ATOM 920 C VAL A 645 -1.460 16.924 0.545 1.00 64.25 C ATOM 921 O VAL A 645 -2.509 16.382 0.893 1.00 35.44 O ATOM 922 CB VAL A 645 -1.386 16.485 -1.925 1.00 54.01 C ATOM 923 CG1 VAL A 645 -1.586 17.951 -2.268 1.00 24.12 C ATOM 924 CG2 VAL A 645 -0.650 15.771 -3.053 1.00 72.42 C ATOM 0 H VAL A 645 -1.203 14.403 -0.110 1.00 63.25 H new ATOM 0 HA VAL A 645 0.320 16.859 -0.684 1.00 61.34 H new ATOM 0 HB VAL A 645 -2.364 16.017 -1.811 1.00 54.01 H new ATOM 0 HG11 VAL A 645 -2.117 18.034 -3.216 1.00 24.12 H new ATOM 0 HG12 VAL A 645 -2.169 18.432 -1.483 1.00 24.12 H new ATOM 0 HG13 VAL A 645 -0.616 18.441 -2.351 1.00 24.12 H new ATOM 0 HG21 VAL A 645 -1.204 15.894 -3.984 1.00 72.42 H new ATOM 0 HG22 VAL A 645 0.347 16.198 -3.164 1.00 72.42 H new ATOM 0 HG23 VAL A 645 -0.566 14.710 -2.818 1.00 72.42 H new ATOM 930 N SER A 646 -0.979 17.980 1.137 1.00 14.52 N ATOM 931 CA SER A 646 -1.693 18.629 2.189 1.00 72.05 C ATOM 932 C SER A 646 -2.905 19.331 1.629 1.00 63.14 C ATOM 933 O SER A 646 -2.849 19.944 0.558 1.00 1.24 O ATOM 934 CB SER A 646 -0.789 19.626 2.917 1.00 21.42 C ATOM 935 OG SER A 646 -1.495 20.325 3.924 1.00 54.44 O ATOM 0 H SER A 646 -0.085 18.411 0.902 1.00 14.52 H new ATOM 0 HA SER A 646 -2.019 17.877 2.907 1.00 72.05 H new ATOM 0 HB2 SER A 646 0.054 19.097 3.362 1.00 21.42 H new ATOM 0 HB3 SER A 646 -0.377 20.336 2.200 1.00 21.42 H new ATOM 0 HG SER A 646 -0.992 20.285 4.764 1.00 54.44 H new ATOM 941 N ARG A 647 -3.977 19.252 2.345 1.00 12.12 N ATOM 942 CA ARG A 647 -5.197 19.862 1.925 1.00 1.24 C ATOM 943 C ARG A 647 -5.330 21.211 2.603 1.00 60.32 C ATOM 944 O ARG A 647 -5.808 22.175 2.013 1.00 74.12 O ATOM 945 CB ARG A 647 -6.380 18.942 2.253 1.00 13.11 C ATOM 946 CG ARG A 647 -6.234 17.550 1.641 1.00 20.52 C ATOM 947 CD ARG A 647 -7.381 16.625 2.011 1.00 0.54 C ATOM 948 NE ARG A 647 -8.667 17.033 1.436 1.00 32.51 N ATOM 949 CZ ARG A 647 -9.845 16.457 1.722 1.00 22.44 C ATOM 950 NH1 ARG A 647 -9.937 15.566 2.707 1.00 24.23 N ATOM 951 NH2 ARG A 647 -10.934 16.803 1.054 1.00 61.12 N ATOM 0 H ARG A 647 -4.033 18.763 3.238 1.00 12.12 H new ATOM 0 HA ARG A 647 -5.192 20.017 0.846 1.00 1.24 H new ATOM 0 HB2 ARG A 647 -6.474 18.850 3.335 1.00 13.11 H new ATOM 0 HB3 ARG A 647 -7.301 19.399 1.891 1.00 13.11 H new ATOM 0 HG2 ARG A 647 -6.179 17.638 0.556 1.00 20.52 H new ATOM 0 HG3 ARG A 647 -5.294 17.108 1.973 1.00 20.52 H new ATOM 0 HD2 ARG A 647 -7.146 15.615 1.676 1.00 0.54 H new ATOM 0 HD3 ARG A 647 -7.472 16.588 3.097 1.00 0.54 H new ATOM 0 HE ARG A 647 -8.666 17.808 0.773 1.00 32.51 H new ATOM 0 HH11 ARG A 647 -9.109 15.318 3.249 1.00 24.23 H new ATOM 0 HH12 ARG A 647 -10.835 15.132 2.920 1.00 24.23 H new ATOM 0 HH21 ARG A 647 -10.879 17.509 0.320 1.00 61.12 H new ATOM 0 HH22 ARG A 647 -11.828 16.364 1.273 1.00 61.12 H new ATOM 963 N SER A 648 -4.865 21.288 3.830 1.00 72.51 N ATOM 964 CA SER A 648 -4.932 22.512 4.585 1.00 71.03 C ATOM 965 C SER A 648 -3.774 23.465 4.230 1.00 54.43 C ATOM 966 O SER A 648 -3.976 24.669 4.076 1.00 24.44 O ATOM 967 CB SER A 648 -4.908 22.182 6.075 1.00 71.33 C ATOM 968 OG SER A 648 -5.949 21.277 6.399 1.00 40.44 O ATOM 0 H SER A 648 -4.434 20.508 4.327 1.00 72.51 H new ATOM 0 HA SER A 648 -5.861 23.023 4.332 1.00 71.03 H new ATOM 0 HB2 SER A 648 -3.944 21.748 6.342 1.00 71.33 H new ATOM 0 HB3 SER A 648 -5.018 23.096 6.658 1.00 71.33 H new ATOM 0 HG SER A 648 -5.919 21.074 7.357 1.00 40.44 H new ATOM 974 N ASP A 649 -2.580 22.920 4.056 1.00 60.31 N ATOM 975 CA ASP A 649 -1.391 23.752 3.822 1.00 74.04 C ATOM 976 C ASP A 649 -0.970 23.713 2.339 1.00 25.21 C ATOM 977 O ASP A 649 -0.121 24.485 1.888 1.00 43.44 O ATOM 978 CB ASP A 649 -0.268 23.259 4.743 1.00 54.54 C ATOM 979 CG ASP A 649 0.963 24.125 4.741 1.00 43.25 C ATOM 980 OD1 ASP A 649 0.985 25.143 5.461 1.00 44.10 O ATOM 981 OD2 ASP A 649 1.936 23.783 4.078 1.00 65.25 O ATOM 0 H ASP A 649 -2.400 21.916 4.071 1.00 60.31 H new ATOM 0 HA ASP A 649 -1.615 24.794 4.053 1.00 74.04 H new ATOM 0 HB2 ASP A 649 -0.651 23.196 5.761 1.00 54.54 H new ATOM 0 HB3 ASP A 649 0.013 22.249 4.445 1.00 54.54 H new ATOM 986 N ARG A 650 -1.603 22.801 1.593 1.00 21.24 N ATOM 987 CA ARG A 650 -1.434 22.633 0.118 1.00 51.14 C ATOM 988 C ARG A 650 -0.004 22.331 -0.350 1.00 11.21 C ATOM 989 O ARG A 650 0.325 22.552 -1.518 1.00 10.33 O ATOM 990 CB ARG A 650 -1.993 23.845 -0.642 1.00 44.13 C ATOM 991 CG ARG A 650 -3.496 24.006 -0.543 1.00 41.14 C ATOM 992 CD ARG A 650 -4.231 22.839 -1.197 1.00 44.24 C ATOM 993 NE ARG A 650 -5.689 22.980 -1.103 1.00 4.30 N ATOM 994 CZ ARG A 650 -6.575 22.061 -1.518 1.00 62.45 C ATOM 995 NH1 ARG A 650 -6.160 20.946 -2.134 1.00 73.22 N ATOM 996 NH2 ARG A 650 -7.872 22.267 -1.338 1.00 75.02 N ATOM 0 H ARG A 650 -2.266 22.137 1.993 1.00 21.24 H new ATOM 0 HA ARG A 650 -2.011 21.739 -0.120 1.00 51.14 H new ATOM 0 HB2 ARG A 650 -1.517 24.749 -0.261 1.00 44.13 H new ATOM 0 HB3 ARG A 650 -1.717 23.758 -1.693 1.00 44.13 H new ATOM 0 HG2 ARG A 650 -3.786 24.078 0.505 1.00 41.14 H new ATOM 0 HG3 ARG A 650 -3.795 24.939 -1.021 1.00 41.14 H new ATOM 0 HD2 ARG A 650 -3.941 22.771 -2.246 1.00 44.24 H new ATOM 0 HD3 ARG A 650 -3.926 21.907 -0.721 1.00 44.24 H new ATOM 0 HE ARG A 650 -6.056 23.839 -0.692 1.00 4.30 H new ATOM 0 HH11 ARG A 650 -5.164 20.790 -2.291 1.00 73.22 H new ATOM 0 HH12 ARG A 650 -6.840 20.253 -2.446 1.00 73.22 H new ATOM 0 HH21 ARG A 650 -8.195 23.122 -0.885 1.00 75.02 H new ATOM 0 HH22 ARG A 650 -8.547 21.570 -1.652 1.00 75.02 H new ATOM 1008 N LYS A 651 0.817 21.791 0.505 1.00 4.15 N ATOM 1009 CA LYS A 651 2.115 21.324 0.084 1.00 33.02 C ATOM 1010 C LYS A 651 2.101 19.862 -0.201 1.00 52.45 C ATOM 1011 O LYS A 651 1.319 19.124 0.378 1.00 12.35 O ATOM 1012 CB LYS A 651 3.143 21.629 1.098 1.00 70.11 C ATOM 1013 CG LYS A 651 3.349 23.070 1.183 1.00 54.51 C ATOM 1014 CD LYS A 651 4.361 23.419 2.180 1.00 14.05 C ATOM 1015 CE LYS A 651 4.498 24.891 2.234 1.00 74.52 C ATOM 1016 NZ LYS A 651 3.225 25.548 2.596 1.00 41.20 N ATOM 0 H LYS A 651 0.615 21.662 1.496 1.00 4.15 H new ATOM 0 HA LYS A 651 2.364 21.851 -0.837 1.00 33.02 H new ATOM 0 HB2 LYS A 651 2.835 21.240 2.068 1.00 70.11 H new ATOM 0 HB3 LYS A 651 4.079 21.134 0.839 1.00 70.11 H new ATOM 0 HG2 LYS A 651 3.653 23.451 0.208 1.00 54.51 H new ATOM 0 HG3 LYS A 651 2.407 23.557 1.436 1.00 54.51 H new ATOM 0 HD2 LYS A 651 4.075 23.032 3.158 1.00 14.05 H new ATOM 0 HD3 LYS A 651 5.316 22.961 1.923 1.00 14.05 H new ATOM 0 HE2 LYS A 651 5.265 25.158 2.961 1.00 74.52 H new ATOM 0 HE3 LYS A 651 4.835 25.260 1.265 1.00 74.52 H new ATOM 0 HZ1 LYS A 651 3.420 26.378 3.192 1.00 41.20 H new ATOM 0 HZ2 LYS A 651 2.732 25.851 1.731 1.00 41.20 H new ATOM 0 HZ3 LYS A 651 2.625 24.879 3.120 1.00 41.20 H new ATOM 1030 N SER A 652 2.936 19.448 -1.075 1.00 31.43 N ATOM 1031 CA SER A 652 3.032 18.058 -1.417 1.00 53.10 C ATOM 1032 C SER A 652 4.394 17.502 -1.030 1.00 44.23 C ATOM 1033 O SER A 652 5.425 18.202 -1.124 1.00 71.11 O ATOM 1034 CB SER A 652 2.723 17.850 -2.907 1.00 71.45 C ATOM 1035 OG SER A 652 3.512 18.707 -3.724 1.00 65.34 O ATOM 0 H SER A 652 3.580 20.055 -1.583 1.00 31.43 H new ATOM 0 HA SER A 652 2.286 17.502 -0.849 1.00 53.10 H new ATOM 0 HB2 SER A 652 2.911 16.811 -3.178 1.00 71.45 H new ATOM 0 HB3 SER A 652 1.666 18.041 -3.091 1.00 71.45 H new ATOM 0 HG SER A 652 3.295 18.551 -4.667 1.00 65.34 H new ATOM 1041 N TRP A 653 4.403 16.276 -0.570 1.00 53.31 N ATOM 1042 CA TRP A 653 5.620 15.614 -0.159 1.00 44.20 C ATOM 1043 C TRP A 653 5.604 14.209 -0.617 1.00 70.51 C ATOM 1044 O TRP A 653 4.552 13.586 -0.767 1.00 31.13 O ATOM 1045 CB TRP A 653 5.799 15.601 1.359 1.00 51.32 C ATOM 1046 CG TRP A 653 5.858 16.928 2.045 1.00 0.33 C ATOM 1047 CD1 TRP A 653 6.955 17.703 2.223 1.00 65.33 C ATOM 1048 CD2 TRP A 653 4.775 17.611 2.679 1.00 55.12 C ATOM 1049 NE1 TRP A 653 6.626 18.820 2.934 1.00 10.12 N ATOM 1050 CE2 TRP A 653 5.291 18.794 3.219 1.00 52.35 C ATOM 1051 CE3 TRP A 653 3.425 17.338 2.835 1.00 52.13 C ATOM 1052 CZ2 TRP A 653 4.497 19.706 3.912 1.00 50.54 C ATOM 1053 CZ3 TRP A 653 2.640 18.229 3.516 1.00 3.20 C ATOM 1054 CH2 TRP A 653 3.173 19.404 4.049 1.00 2.10 C ATOM 0 H TRP A 653 3.564 15.705 -0.469 1.00 53.31 H new ATOM 0 HA TRP A 653 6.442 16.174 -0.605 1.00 44.20 H new ATOM 0 HB2 TRP A 653 4.977 15.031 1.793 1.00 51.32 H new ATOM 0 HB3 TRP A 653 6.717 15.060 1.588 1.00 51.32 H new ATOM 0 HD1 TRP A 653 7.944 17.471 1.856 1.00 65.33 H new ATOM 0 HE1 TRP A 653 7.275 19.558 3.209 1.00 10.12 H new ATOM 0 HE3 TRP A 653 2.998 16.435 2.425 1.00 52.13 H new ATOM 0 HZ2 TRP A 653 4.912 20.614 4.324 1.00 50.54 H new ATOM 0 HZ3 TRP A 653 1.588 18.019 3.643 1.00 3.20 H new ATOM 0 HH2 TRP A 653 2.526 20.087 4.580 1.00 2.10 H new ATOM 1065 N ASN A 654 6.758 13.712 -0.797 1.00 34.00 N ATOM 1066 CA ASN A 654 6.967 12.390 -1.235 1.00 2.23 C ATOM 1067 C ASN A 654 7.258 11.550 -0.007 1.00 61.13 C ATOM 1068 O ASN A 654 7.986 12.006 0.903 1.00 43.23 O ATOM 1069 CB ASN A 654 8.163 12.431 -2.146 1.00 73.22 C ATOM 1070 CG ASN A 654 8.375 11.214 -2.962 1.00 10.43 C ATOM 1071 OD1 ASN A 654 8.060 10.095 -2.572 1.00 21.42 O ATOM 1072 ND2 ASN A 654 8.902 11.442 -4.109 1.00 74.25 N ATOM 0 H ASN A 654 7.621 14.232 -0.638 1.00 34.00 H new ATOM 0 HA ASN A 654 6.110 11.969 -1.761 1.00 2.23 H new ATOM 0 HB2 ASN A 654 8.061 13.285 -2.816 1.00 73.22 H new ATOM 0 HB3 ASN A 654 9.054 12.604 -1.542 1.00 73.22 H new ATOM 0 HD21 ASN A 654 9.080 10.670 -4.751 1.00 74.25 H new ATOM 0 HD22 ASN A 654 9.143 12.396 -4.379 1.00 74.25 H new ATOM 1078 N LEU A 655 6.677 10.379 0.079 1.00 4.30 N ATOM 1079 CA LEU A 655 6.929 9.534 1.226 1.00 60.44 C ATOM 1080 C LEU A 655 7.662 8.299 0.806 1.00 54.12 C ATOM 1081 O LEU A 655 7.870 7.393 1.609 1.00 51.12 O ATOM 1082 CB LEU A 655 5.672 9.103 1.977 1.00 64.42 C ATOM 1083 CG LEU A 655 4.670 10.152 2.419 1.00 3.21 C ATOM 1084 CD1 LEU A 655 3.751 10.509 1.324 1.00 2.15 C ATOM 1085 CD2 LEU A 655 3.911 9.712 3.640 1.00 4.05 C ATOM 0 H LEU A 655 6.038 9.992 -0.615 1.00 4.30 H new ATOM 0 HA LEU A 655 7.522 10.146 1.905 1.00 60.44 H new ATOM 0 HB2 LEU A 655 5.142 8.391 1.345 1.00 64.42 H new ATOM 0 HB3 LEU A 655 5.993 8.562 2.867 1.00 64.42 H new ATOM 0 HG LEU A 655 5.233 11.046 2.687 1.00 3.21 H new ATOM 0 HD11 LEU A 655 3.045 11.263 1.673 1.00 2.15 H new ATOM 0 HD12 LEU A 655 4.322 10.907 0.485 1.00 2.15 H new ATOM 0 HD13 LEU A 655 3.205 9.622 1.003 1.00 2.15 H new ATOM 0 HD21 LEU A 655 3.202 10.489 3.927 1.00 4.05 H new ATOM 0 HD22 LEU A 655 3.371 8.791 3.420 1.00 4.05 H new ATOM 0 HD23 LEU A 655 4.609 9.537 4.459 1.00 4.05 H new ATOM 1093 N GLY A 656 8.041 8.236 -0.435 1.00 35.43 N ATOM 1094 CA GLY A 656 8.771 7.118 -0.858 1.00 43.40 C ATOM 1095 C GLY A 656 8.780 6.914 -2.334 1.00 10.31 C ATOM 1096 O GLY A 656 7.744 6.974 -3.016 1.00 61.30 O ATOM 0 H GLY A 656 7.853 8.940 -1.148 1.00 35.43 H new ATOM 0 HA2 GLY A 656 9.799 7.217 -0.510 1.00 43.40 H new ATOM 0 HA3 GLY A 656 8.358 6.228 -0.383 1.00 43.40 H new ATOM 1100 N ARG A 657 9.948 6.666 -2.810 1.00 10.11 N ATOM 1101 CA ARG A 657 10.235 6.392 -4.176 1.00 14.24 C ATOM 1102 C ARG A 657 9.716 4.986 -4.470 1.00 14.41 C ATOM 1103 O ARG A 657 9.687 4.146 -3.560 1.00 13.32 O ATOM 1104 CB ARG A 657 11.739 6.480 -4.309 1.00 62.44 C ATOM 1105 CG ARG A 657 12.341 6.326 -5.676 1.00 3.32 C ATOM 1106 CD ARG A 657 13.814 6.543 -5.522 1.00 53.40 C ATOM 1107 NE ARG A 657 14.574 6.601 -6.756 1.00 21.13 N ATOM 1108 CZ ARG A 657 15.720 7.289 -6.848 1.00 44.10 C ATOM 1109 NH1 ARG A 657 16.170 7.976 -5.782 1.00 52.11 N ATOM 1110 NH2 ARG A 657 16.411 7.303 -7.986 1.00 63.14 N ATOM 0 H ARG A 657 10.781 6.648 -2.221 1.00 10.11 H new ATOM 0 HA ARG A 657 9.768 7.083 -4.878 1.00 14.24 H new ATOM 0 HB2 ARG A 657 12.052 7.447 -3.914 1.00 62.44 H new ATOM 0 HB3 ARG A 657 12.175 5.716 -3.665 1.00 62.44 H new ATOM 0 HG2 ARG A 657 12.136 5.335 -6.080 1.00 3.32 H new ATOM 0 HG3 ARG A 657 11.914 7.049 -6.371 1.00 3.32 H new ATOM 0 HD2 ARG A 657 13.970 7.474 -4.977 1.00 53.40 H new ATOM 0 HD3 ARG A 657 14.218 5.740 -4.905 1.00 53.40 H new ATOM 0 HE ARG A 657 14.226 6.104 -7.576 1.00 21.13 H new ATOM 0 HH11 ARG A 657 15.639 7.971 -4.911 1.00 52.11 H new ATOM 0 HH12 ARG A 657 17.042 8.502 -5.845 1.00 52.11 H new ATOM 0 HH21 ARG A 657 16.069 6.787 -8.797 1.00 63.14 H new ATOM 0 HH22 ARG A 657 17.282 7.830 -8.047 1.00 63.14 H new ATOM 1122 N SER A 658 9.290 4.740 -5.691 1.00 2.03 N ATOM 1123 CA SER A 658 8.665 3.469 -6.057 1.00 34.51 C ATOM 1124 C SER A 658 9.494 2.244 -5.690 1.00 0.00 C ATOM 1125 O SER A 658 10.724 2.235 -5.837 1.00 35.12 O ATOM 1126 CB SER A 658 8.321 3.459 -7.529 1.00 31.50 C ATOM 1127 OG SER A 658 9.451 3.758 -8.332 1.00 14.44 O ATOM 0 H SER A 658 9.363 5.406 -6.460 1.00 2.03 H new ATOM 0 HA SER A 658 7.753 3.397 -5.465 1.00 34.51 H new ATOM 0 HB2 SER A 658 7.927 2.481 -7.804 1.00 31.50 H new ATOM 0 HB3 SER A 658 7.533 4.186 -7.724 1.00 31.50 H new ATOM 0 HG SER A 658 9.616 4.724 -8.317 1.00 14.44 H new ATOM 1133 N ASN A 659 8.810 1.235 -5.195 1.00 72.35 N ATOM 1134 CA ASN A 659 9.418 -0.028 -4.815 1.00 44.14 C ATOM 1135 C ASN A 659 8.338 -1.040 -4.556 1.00 61.35 C ATOM 1136 O ASN A 659 7.165 -0.700 -4.589 1.00 72.12 O ATOM 1137 CB ASN A 659 10.382 0.106 -3.582 1.00 40.43 C ATOM 1138 CG ASN A 659 9.763 0.580 -2.231 1.00 23.45 C ATOM 1139 OD1 ASN A 659 10.435 1.247 -1.446 1.00 44.42 O ATOM 1140 ND2 ASN A 659 8.523 0.240 -1.939 1.00 64.51 N ATOM 0 H ASN A 659 7.802 1.266 -5.042 1.00 72.35 H new ATOM 0 HA ASN A 659 10.042 -0.363 -5.644 1.00 44.14 H new ATOM 0 HB2 ASN A 659 10.851 -0.864 -3.415 1.00 40.43 H new ATOM 0 HB3 ASN A 659 11.176 0.802 -3.850 1.00 40.43 H new ATOM 0 HD21 ASN A 659 8.110 0.530 -1.053 1.00 64.51 H new ATOM 0 HD22 ASN A 659 7.977 -0.313 -2.599 1.00 64.51 H new ATOM 1146 N ALA A 660 8.714 -2.255 -4.312 1.00 63.23 N ATOM 1147 CA ALA A 660 7.765 -3.300 -4.012 1.00 33.21 C ATOM 1148 C ALA A 660 8.216 -4.021 -2.758 1.00 13.24 C ATOM 1149 O ALA A 660 8.122 -5.250 -2.660 1.00 62.44 O ATOM 1150 CB ALA A 660 7.685 -4.256 -5.186 1.00 73.00 C ATOM 0 H ALA A 660 9.688 -2.559 -4.313 1.00 63.23 H new ATOM 0 HA ALA A 660 6.774 -2.880 -3.842 1.00 33.21 H new ATOM 0 HB1 ALA A 660 6.969 -5.047 -4.963 1.00 73.00 H new ATOM 0 HB2 ALA A 660 7.362 -3.714 -6.075 1.00 73.00 H new ATOM 0 HB3 ALA A 660 8.666 -4.695 -5.365 1.00 73.00 H new ATOM 1156 N LYS A 661 8.703 -3.253 -1.793 1.00 4.41 N ATOM 1157 CA LYS A 661 9.225 -3.803 -0.582 1.00 3.32 C ATOM 1158 C LYS A 661 8.106 -4.346 0.316 1.00 60.11 C ATOM 1159 O LYS A 661 7.391 -3.586 0.977 1.00 41.50 O ATOM 1160 CB LYS A 661 10.021 -2.729 0.181 1.00 5.42 C ATOM 1161 CG LYS A 661 10.871 -3.278 1.307 1.00 10.10 C ATOM 1162 CD LYS A 661 11.958 -4.140 0.718 1.00 50.25 C ATOM 1163 CE LYS A 661 12.829 -4.804 1.758 1.00 21.32 C ATOM 1164 NZ LYS A 661 13.895 -5.607 1.112 1.00 50.32 N ATOM 0 H LYS A 661 8.741 -2.235 -1.842 1.00 4.41 H new ATOM 0 HA LYS A 661 9.882 -4.631 -0.847 1.00 3.32 H new ATOM 0 HB2 LYS A 661 10.665 -2.200 -0.522 1.00 5.42 H new ATOM 0 HB3 LYS A 661 9.325 -1.996 0.589 1.00 5.42 H new ATOM 0 HG2 LYS A 661 11.307 -2.462 1.883 1.00 10.10 H new ATOM 0 HG3 LYS A 661 10.257 -3.861 1.994 1.00 10.10 H new ATOM 0 HD2 LYS A 661 11.503 -4.908 0.092 1.00 50.25 H new ATOM 0 HD3 LYS A 661 12.584 -3.529 0.068 1.00 50.25 H new ATOM 0 HE2 LYS A 661 13.277 -4.047 2.402 1.00 21.32 H new ATOM 0 HE3 LYS A 661 12.219 -5.445 2.395 1.00 21.32 H new ATOM 0 HZ1 LYS A 661 14.462 -6.083 1.842 1.00 50.32 H new ATOM 0 HZ2 LYS A 661 13.464 -6.320 0.490 1.00 50.32 H new ATOM 0 HZ3 LYS A 661 14.508 -4.982 0.550 1.00 50.32 H new ATOM 1178 N LEU A 662 7.960 -5.651 0.315 1.00 43.42 N ATOM 1179 CA LEU A 662 7.022 -6.332 1.183 1.00 33.32 C ATOM 1180 C LEU A 662 7.774 -7.061 2.256 1.00 24.54 C ATOM 1181 O LEU A 662 8.767 -7.762 1.979 1.00 35.32 O ATOM 1182 CB LEU A 662 6.096 -7.318 0.426 1.00 2.05 C ATOM 1183 CG LEU A 662 4.892 -6.751 -0.361 1.00 1.41 C ATOM 1184 CD1 LEU A 662 3.920 -6.064 0.566 1.00 74.50 C ATOM 1185 CD2 LEU A 662 5.317 -5.818 -1.465 1.00 55.41 C ATOM 0 H LEU A 662 8.491 -6.276 -0.291 1.00 43.42 H new ATOM 0 HA LEU A 662 6.376 -5.569 1.618 1.00 33.32 H new ATOM 0 HB2 LEU A 662 6.714 -7.880 -0.275 1.00 2.05 H new ATOM 0 HB3 LEU A 662 5.709 -8.032 1.153 1.00 2.05 H new ATOM 0 HG LEU A 662 4.393 -7.599 -0.829 1.00 1.41 H new ATOM 0 HD11 LEU A 662 3.082 -5.673 -0.011 1.00 74.50 H new ATOM 0 HD12 LEU A 662 3.552 -6.779 1.302 1.00 74.50 H new ATOM 0 HD13 LEU A 662 4.423 -5.243 1.077 1.00 74.50 H new ATOM 0 HD21 LEU A 662 4.435 -5.447 -1.987 1.00 55.41 H new ATOM 0 HD22 LEU A 662 5.867 -4.978 -1.040 1.00 55.41 H new ATOM 0 HD23 LEU A 662 5.957 -6.353 -2.167 1.00 55.41 H new ATOM 1193 N SER A 663 7.344 -6.881 3.458 1.00 21.13 N ATOM 1194 CA SER A 663 7.925 -7.507 4.597 1.00 11.04 C ATOM 1195 C SER A 663 6.816 -8.049 5.488 1.00 72.21 C ATOM 1196 O SER A 663 5.643 -7.782 5.242 1.00 50.23 O ATOM 1197 CB SER A 663 8.798 -6.505 5.330 1.00 25.34 C ATOM 1198 OG SER A 663 9.809 -6.014 4.461 1.00 54.03 O ATOM 0 H SER A 663 6.554 -6.276 3.682 1.00 21.13 H new ATOM 0 HA SER A 663 8.556 -8.343 4.296 1.00 11.04 H new ATOM 0 HB2 SER A 663 8.189 -5.679 5.696 1.00 25.34 H new ATOM 0 HB3 SER A 663 9.253 -6.976 6.201 1.00 25.34 H new ATOM 0 HG SER A 663 10.367 -5.367 4.941 1.00 54.03 H new ATOM 1204 N TYR A 664 7.164 -8.817 6.480 1.00 73.51 N ATOM 1205 CA TYR A 664 6.181 -9.417 7.324 1.00 5.10 C ATOM 1206 C TYR A 664 6.564 -9.207 8.763 1.00 42.24 C ATOM 1207 O TYR A 664 7.701 -9.450 9.143 1.00 52.34 O ATOM 1208 CB TYR A 664 6.128 -10.898 7.023 1.00 23.44 C ATOM 1209 CG TYR A 664 4.858 -11.596 7.420 1.00 72.04 C ATOM 1210 CD1 TYR A 664 3.698 -11.400 6.691 1.00 20.13 C ATOM 1211 CD2 TYR A 664 4.825 -12.484 8.471 1.00 32.13 C ATOM 1212 CE1 TYR A 664 2.543 -12.063 6.997 1.00 44.31 C ATOM 1213 CE2 TYR A 664 3.682 -13.158 8.794 1.00 72.05 C ATOM 1214 CZ TYR A 664 2.534 -12.951 8.050 1.00 64.25 C ATOM 1215 OH TYR A 664 1.373 -13.623 8.372 1.00 43.11 O ATOM 0 H TYR A 664 8.129 -9.041 6.722 1.00 73.51 H new ATOM 0 HA TYR A 664 5.205 -8.966 7.145 1.00 5.10 H new ATOM 0 HB2 TYR A 664 6.280 -11.039 5.953 1.00 23.44 H new ATOM 0 HB3 TYR A 664 6.962 -11.384 7.530 1.00 23.44 H new ATOM 0 HD1 TYR A 664 3.706 -10.708 5.862 1.00 20.13 H new ATOM 0 HD2 TYR A 664 5.720 -12.651 9.051 1.00 32.13 H new ATOM 0 HE1 TYR A 664 1.647 -11.893 6.419 1.00 44.31 H new ATOM 0 HE2 TYR A 664 3.674 -13.848 9.625 1.00 72.05 H new ATOM 0 HH TYR A 664 1.264 -14.392 7.775 1.00 43.11 H new ATOM 1225 N TYR A 665 5.625 -8.755 9.530 1.00 73.24 N ATOM 1226 CA TYR A 665 5.792 -8.530 10.946 1.00 13.32 C ATOM 1227 C TYR A 665 5.238 -9.780 11.637 1.00 73.31 C ATOM 1228 O TYR A 665 5.195 -10.841 11.014 1.00 64.54 O ATOM 1229 CB TYR A 665 4.979 -7.272 11.297 1.00 42.24 C ATOM 1230 CG TYR A 665 5.170 -6.705 12.686 1.00 32.14 C ATOM 1231 CD1 TYR A 665 6.410 -6.243 13.107 1.00 50.22 C ATOM 1232 CD2 TYR A 665 4.108 -6.613 13.561 1.00 23.41 C ATOM 1233 CE1 TYR A 665 6.574 -5.710 14.369 1.00 50.22 C ATOM 1234 CE2 TYR A 665 4.260 -6.079 14.812 1.00 42.33 C ATOM 1235 CZ TYR A 665 5.492 -5.628 15.217 1.00 62.50 C ATOM 1236 OH TYR A 665 5.639 -5.082 16.473 1.00 44.35 O ATOM 0 H TYR A 665 4.692 -8.523 9.188 1.00 73.24 H new ATOM 0 HA TYR A 665 6.825 -8.372 11.256 1.00 13.32 H new ATOM 0 HB2 TYR A 665 5.227 -6.494 10.575 1.00 42.24 H new ATOM 0 HB3 TYR A 665 3.922 -7.503 11.166 1.00 42.24 H new ATOM 0 HD1 TYR A 665 7.256 -6.302 12.439 1.00 50.22 H new ATOM 0 HD2 TYR A 665 3.136 -6.970 13.253 1.00 23.41 H new ATOM 0 HE1 TYR A 665 7.544 -5.360 14.690 1.00 50.22 H new ATOM 0 HE2 TYR A 665 3.413 -6.013 15.479 1.00 42.33 H new ATOM 0 HH TYR A 665 4.778 -5.100 16.940 1.00 44.35 H new ATOM 1246 N ASP A 666 4.825 -9.690 12.885 1.00 11.24 N ATOM 1247 CA ASP A 666 4.253 -10.846 13.551 1.00 25.23 C ATOM 1248 C ASP A 666 2.852 -11.147 13.013 1.00 13.35 C ATOM 1249 O ASP A 666 1.842 -10.686 13.554 1.00 22.52 O ATOM 1250 CB ASP A 666 4.223 -10.713 15.087 1.00 11.54 C ATOM 1251 CG ASP A 666 5.584 -10.496 15.717 1.00 43.45 C ATOM 1252 OD1 ASP A 666 6.508 -11.332 15.484 1.00 75.13 O ATOM 1253 OD2 ASP A 666 5.731 -9.520 16.480 1.00 3.35 O ATOM 0 H ASP A 666 4.872 -8.844 13.452 1.00 11.24 H new ATOM 0 HA ASP A 666 4.913 -11.683 13.324 1.00 25.23 H new ATOM 0 HB2 ASP A 666 3.573 -9.880 15.356 1.00 11.54 H new ATOM 0 HB3 ASP A 666 3.778 -11.614 15.510 1.00 11.54 H new ATOM 1258 N GLY A 667 2.819 -11.850 11.898 1.00 60.41 N ATOM 1259 CA GLY A 667 1.583 -12.268 11.271 1.00 42.05 C ATOM 1260 C GLY A 667 0.788 -11.140 10.635 1.00 40.11 C ATOM 1261 O GLY A 667 -0.435 -11.161 10.632 1.00 33.02 O ATOM 0 H GLY A 667 3.657 -12.149 11.399 1.00 60.41 H new ATOM 0 HA2 GLY A 667 1.811 -13.011 10.507 1.00 42.05 H new ATOM 0 HA3 GLY A 667 0.959 -12.759 12.018 1.00 42.05 H new ATOM 1265 N MET A 668 1.491 -10.153 10.132 1.00 33.32 N ATOM 1266 CA MET A 668 0.896 -9.038 9.397 1.00 1.24 C ATOM 1267 C MET A 668 1.875 -8.596 8.343 1.00 40.20 C ATOM 1268 O MET A 668 3.069 -8.478 8.629 1.00 21.33 O ATOM 1269 CB MET A 668 0.550 -7.830 10.308 1.00 60.21 C ATOM 1270 CG MET A 668 -0.570 -8.067 11.325 1.00 51.42 C ATOM 1271 SD MET A 668 -0.926 -6.603 12.340 1.00 51.32 S ATOM 1272 CE MET A 668 0.652 -6.361 13.146 1.00 5.01 C ATOM 0 H MET A 668 2.506 -10.092 10.217 1.00 33.32 H new ATOM 0 HA MET A 668 -0.040 -9.385 8.960 1.00 1.24 H new ATOM 0 HB2 MET A 668 1.450 -7.536 10.848 1.00 60.21 H new ATOM 0 HB3 MET A 668 0.269 -6.989 9.674 1.00 60.21 H new ATOM 0 HG2 MET A 668 -1.476 -8.366 10.797 1.00 51.42 H new ATOM 0 HG3 MET A 668 -0.293 -8.896 11.977 1.00 51.42 H new ATOM 0 HE1 MET A 668 0.520 -5.723 14.020 1.00 5.01 H new ATOM 0 HE2 MET A 668 1.053 -7.325 13.458 1.00 5.01 H new ATOM 0 HE3 MET A 668 1.346 -5.887 12.452 1.00 5.01 H new ATOM 1282 N ILE A 669 1.407 -8.379 7.139 1.00 51.04 N ATOM 1283 CA ILE A 669 2.284 -7.935 6.070 1.00 73.14 C ATOM 1284 C ILE A 669 2.555 -6.441 6.231 1.00 52.45 C ATOM 1285 O ILE A 669 1.662 -5.686 6.610 1.00 65.34 O ATOM 1286 CB ILE A 669 1.719 -8.161 4.621 1.00 53.25 C ATOM 1287 CG1 ILE A 669 1.376 -9.609 4.284 1.00 22.45 C ATOM 1288 CG2 ILE A 669 2.677 -7.628 3.573 1.00 72.32 C ATOM 1289 CD1 ILE A 669 0.098 -10.144 4.883 1.00 51.44 C ATOM 0 H ILE A 669 0.431 -8.500 6.870 1.00 51.04 H new ATOM 0 HA ILE A 669 3.185 -8.541 6.162 1.00 73.14 H new ATOM 0 HB ILE A 669 0.781 -7.606 4.609 1.00 53.25 H new ATOM 0 HG12 ILE A 669 1.313 -9.704 3.200 1.00 22.45 H new ATOM 0 HG13 ILE A 669 2.200 -10.242 4.612 1.00 22.45 H new ATOM 0 HG21 ILE A 669 2.261 -7.798 2.580 1.00 72.32 H new ATOM 0 HG22 ILE A 669 2.826 -6.559 3.726 1.00 72.32 H new ATOM 0 HG23 ILE A 669 3.633 -8.144 3.659 1.00 72.32 H new ATOM 0 HD11 ILE A 669 -0.042 -11.180 4.576 1.00 51.44 H new ATOM 0 HD12 ILE A 669 0.156 -10.093 5.970 1.00 51.44 H new ATOM 0 HD13 ILE A 669 -0.745 -9.546 4.536 1.00 51.44 H new ATOM 1296 N GLN A 670 3.769 -6.032 5.985 1.00 43.31 N ATOM 1297 CA GLN A 670 4.109 -4.642 6.018 1.00 64.11 C ATOM 1298 C GLN A 670 4.712 -4.233 4.688 1.00 2.40 C ATOM 1299 O GLN A 670 5.604 -4.894 4.165 1.00 70.14 O ATOM 1300 CB GLN A 670 5.073 -4.304 7.152 1.00 41.41 C ATOM 1301 CG GLN A 670 4.587 -4.735 8.515 1.00 50.34 C ATOM 1302 CD GLN A 670 5.458 -4.222 9.634 1.00 24.43 C ATOM 1303 OE1 GLN A 670 6.440 -4.844 10.018 1.00 30.53 O ATOM 1304 NE2 GLN A 670 5.072 -3.114 10.205 1.00 31.22 N ATOM 0 H GLN A 670 4.546 -6.653 5.757 1.00 43.31 H new ATOM 0 HA GLN A 670 3.190 -4.085 6.200 1.00 64.11 H new ATOM 0 HB2 GLN A 670 6.034 -4.778 6.953 1.00 41.41 H new ATOM 0 HB3 GLN A 670 5.245 -3.228 7.162 1.00 41.41 H new ATOM 0 HG2 GLN A 670 3.567 -4.379 8.662 1.00 50.34 H new ATOM 0 HG3 GLN A 670 4.553 -5.824 8.556 1.00 50.34 H new ATOM 0 HE21 GLN A 670 4.249 -2.622 9.859 1.00 31.22 H new ATOM 0 HE22 GLN A 670 5.594 -2.740 10.998 1.00 31.22 H new ATOM 1312 N LEU A 671 4.213 -3.172 4.159 1.00 33.11 N ATOM 1313 CA LEU A 671 4.692 -2.600 2.900 1.00 72.10 C ATOM 1314 C LEU A 671 5.409 -1.340 3.248 1.00 14.10 C ATOM 1315 O LEU A 671 4.901 -0.554 4.037 1.00 54.34 O ATOM 1316 CB LEU A 671 3.503 -2.300 1.963 1.00 42.32 C ATOM 1317 CG LEU A 671 3.776 -1.520 0.654 1.00 42.33 C ATOM 1318 CD1 LEU A 671 4.699 -2.269 -0.292 1.00 61.10 C ATOM 1319 CD2 LEU A 671 2.468 -1.197 -0.036 1.00 31.41 C ATOM 0 H LEU A 671 3.444 -2.649 4.579 1.00 33.11 H new ATOM 0 HA LEU A 671 5.352 -3.294 2.379 1.00 72.10 H new ATOM 0 HB2 LEU A 671 3.045 -3.251 1.693 1.00 42.32 H new ATOM 0 HB3 LEU A 671 2.763 -1.740 2.535 1.00 42.32 H new ATOM 0 HG LEU A 671 4.286 -0.597 0.929 1.00 42.33 H new ATOM 0 HD11 LEU A 671 4.856 -1.676 -1.193 1.00 61.10 H new ATOM 0 HD12 LEU A 671 5.657 -2.445 0.198 1.00 61.10 H new ATOM 0 HD13 LEU A 671 4.248 -3.224 -0.560 1.00 61.10 H new ATOM 0 HD21 LEU A 671 2.668 -0.648 -0.956 1.00 31.41 H new ATOM 0 HD22 LEU A 671 1.943 -2.123 -0.272 1.00 31.41 H new ATOM 0 HD23 LEU A 671 1.850 -0.587 0.623 1.00 31.41 H new ATOM 1327 N THR A 672 6.574 -1.144 2.720 1.00 50.31 N ATOM 1328 CA THR A 672 7.334 0.009 3.086 1.00 25.02 C ATOM 1329 C THR A 672 7.848 0.771 1.872 1.00 3.42 C ATOM 1330 O THR A 672 8.425 0.195 0.956 1.00 72.41 O ATOM 1331 CB THR A 672 8.517 -0.382 4.006 1.00 60.14 C ATOM 1332 OG1 THR A 672 8.008 -1.117 5.135 1.00 64.21 O ATOM 1333 CG2 THR A 672 9.240 0.864 4.519 1.00 54.23 C ATOM 0 H THR A 672 7.018 -1.761 2.040 1.00 50.31 H new ATOM 0 HA THR A 672 6.660 0.671 3.630 1.00 25.02 H new ATOM 0 HB THR A 672 9.219 -0.989 3.434 1.00 60.14 H new ATOM 0 HG1 THR A 672 8.751 -1.370 5.722 1.00 64.21 H new ATOM 0 HG21 THR A 672 10.067 0.565 5.163 1.00 54.23 H new ATOM 0 HG22 THR A 672 9.626 1.435 3.674 1.00 54.23 H new ATOM 0 HG23 THR A 672 8.543 1.481 5.086 1.00 54.23 H new ATOM 1339 N TYR A 673 7.584 2.044 1.863 1.00 64.12 N ATOM 1340 CA TYR A 673 8.130 2.948 0.881 1.00 3.55 C ATOM 1341 C TYR A 673 9.172 3.811 1.506 1.00 64.01 C ATOM 1342 O TYR A 673 8.944 4.386 2.563 1.00 64.41 O ATOM 1343 CB TYR A 673 7.059 3.789 0.211 1.00 64.35 C ATOM 1344 CG TYR A 673 6.331 3.032 -0.826 1.00 43.52 C ATOM 1345 CD1 TYR A 673 6.835 2.987 -2.106 1.00 32.14 C ATOM 1346 CD2 TYR A 673 5.178 2.344 -0.546 1.00 23.30 C ATOM 1347 CE1 TYR A 673 6.217 2.276 -3.084 1.00 54.23 C ATOM 1348 CE2 TYR A 673 4.541 1.632 -1.525 1.00 42.41 C ATOM 1349 CZ TYR A 673 5.072 1.599 -2.800 1.00 35.22 C ATOM 1350 OH TYR A 673 4.467 0.869 -3.777 1.00 73.15 O ATOM 0 H TYR A 673 6.975 2.495 2.546 1.00 64.12 H new ATOM 0 HA TYR A 673 8.588 2.345 0.097 1.00 3.55 H new ATOM 0 HB2 TYR A 673 6.354 4.145 0.963 1.00 64.35 H new ATOM 0 HB3 TYR A 673 7.518 4.670 -0.238 1.00 64.35 H new ATOM 0 HD1 TYR A 673 7.741 3.528 -2.337 1.00 32.14 H new ATOM 0 HD2 TYR A 673 4.770 2.365 0.454 1.00 23.30 H new ATOM 0 HE1 TYR A 673 6.632 2.248 -4.081 1.00 54.23 H new ATOM 0 HE2 TYR A 673 3.628 1.099 -1.303 1.00 42.41 H new ATOM 0 HH TYR A 673 3.495 0.913 -3.664 1.00 73.15 H new ATOM 1360 N ARG A 674 10.317 3.882 0.876 1.00 75.43 N ATOM 1361 CA ARG A 674 11.436 4.639 1.396 1.00 74.32 C ATOM 1362 C ARG A 674 11.962 5.618 0.360 1.00 3.21 C ATOM 1363 O ARG A 674 11.485 5.638 -0.774 1.00 52.35 O ATOM 1364 CB ARG A 674 12.557 3.690 1.811 1.00 41.51 C ATOM 1365 CG ARG A 674 12.209 2.745 2.945 1.00 52.14 C ATOM 1366 CD ARG A 674 13.370 1.815 3.248 1.00 4.53 C ATOM 1367 NE ARG A 674 14.593 2.559 3.581 1.00 75.02 N ATOM 1368 CZ ARG A 674 15.786 2.005 3.822 1.00 43.13 C ATOM 1369 NH1 ARG A 674 15.933 0.684 3.795 1.00 24.52 N ATOM 1370 NH2 ARG A 674 16.828 2.775 4.092 1.00 51.44 N ATOM 0 H ARG A 674 10.504 3.418 -0.013 1.00 75.43 H new ATOM 0 HA ARG A 674 11.089 5.203 2.262 1.00 74.32 H new ATOM 0 HB2 ARG A 674 12.853 3.100 0.944 1.00 41.51 H new ATOM 0 HB3 ARG A 674 13.424 4.282 2.104 1.00 41.51 H new ATOM 0 HG2 ARG A 674 11.954 3.318 3.837 1.00 52.14 H new ATOM 0 HG3 ARG A 674 11.328 2.160 2.680 1.00 52.14 H new ATOM 0 HD2 ARG A 674 13.105 1.161 4.079 1.00 4.53 H new ATOM 0 HD3 ARG A 674 13.557 1.175 2.386 1.00 4.53 H new ATOM 0 HE ARG A 674 14.527 3.576 3.632 1.00 75.02 H new ATOM 0 HH11 ARG A 674 15.133 0.086 3.589 1.00 24.52 H new ATOM 0 HH12 ARG A 674 16.846 0.269 3.980 1.00 24.52 H new ATOM 0 HH21 ARG A 674 16.720 3.789 4.116 1.00 51.44 H new ATOM 0 HH22 ARG A 674 17.739 2.354 4.276 1.00 51.44 H new ATOM 1382 N ASP A 675 12.957 6.411 0.763 1.00 72.21 N ATOM 1383 CA ASP A 675 13.651 7.414 -0.101 1.00 4.44 C ATOM 1384 C ASP A 675 12.744 8.636 -0.343 1.00 10.55 C ATOM 1385 O ASP A 675 12.933 9.395 -1.285 1.00 11.20 O ATOM 1386 CB ASP A 675 14.133 6.781 -1.458 1.00 14.40 C ATOM 1387 CG ASP A 675 15.169 7.636 -2.195 1.00 31.13 C ATOM 1388 OD1 ASP A 675 16.313 7.724 -1.716 1.00 21.24 O ATOM 1389 OD2 ASP A 675 14.861 8.220 -3.251 1.00 40.24 O ATOM 0 H ASP A 675 13.323 6.386 1.715 1.00 72.21 H new ATOM 0 HA ASP A 675 14.544 7.749 0.427 1.00 4.44 H new ATOM 0 HB2 ASP A 675 14.559 5.797 -1.260 1.00 14.40 H new ATOM 0 HB3 ASP A 675 13.270 6.630 -2.107 1.00 14.40 H new ATOM 1394 N GLY A 676 11.779 8.836 0.552 1.00 40.12 N ATOM 1395 CA GLY A 676 10.876 9.977 0.455 1.00 34.33 C ATOM 1396 C GLY A 676 11.555 11.317 0.759 1.00 40.20 C ATOM 1397 O GLY A 676 12.784 11.409 0.833 1.00 70.14 O ATOM 0 H GLY A 676 11.604 8.224 1.349 1.00 40.12 H new ATOM 0 HA2 GLY A 676 10.453 10.012 -0.549 1.00 34.33 H new ATOM 0 HA3 GLY A 676 10.045 9.834 1.146 1.00 34.33 H new ATOM 1401 N THR A 677 10.760 12.342 0.944 1.00 72.02 N ATOM 1402 CA THR A 677 11.266 13.670 1.237 1.00 34.40 C ATOM 1403 C THR A 677 11.578 13.790 2.734 1.00 23.33 C ATOM 1404 O THR A 677 10.737 13.465 3.559 1.00 10.01 O ATOM 1405 CB THR A 677 10.201 14.739 0.867 1.00 15.11 C ATOM 1406 OG1 THR A 677 9.796 14.565 -0.490 1.00 71.23 O ATOM 1407 CG2 THR A 677 10.744 16.156 1.046 1.00 64.24 C ATOM 0 H THR A 677 9.743 12.284 0.897 1.00 72.02 H new ATOM 0 HA THR A 677 12.172 13.832 0.653 1.00 34.40 H new ATOM 0 HB THR A 677 9.351 14.607 1.536 1.00 15.11 H new ATOM 0 HG1 THR A 677 9.262 15.336 -0.773 1.00 71.23 H new ATOM 0 HG21 THR A 677 9.972 16.878 0.778 1.00 64.24 H new ATOM 0 HG22 THR A 677 11.035 16.305 2.086 1.00 64.24 H new ATOM 0 HG23 THR A 677 11.612 16.297 0.402 1.00 64.24 H new ATOM 1413 N PRO A 678 12.782 14.212 3.109 1.00 1.41 N ATOM 1414 CA PRO A 678 13.120 14.432 4.503 1.00 13.45 C ATOM 1415 C PRO A 678 12.439 15.687 5.048 1.00 62.20 C ATOM 1416 O PRO A 678 12.147 16.638 4.308 1.00 73.11 O ATOM 1417 CB PRO A 678 14.650 14.610 4.505 1.00 22.42 C ATOM 1418 CG PRO A 678 15.094 14.257 3.124 1.00 34.44 C ATOM 1419 CD PRO A 678 13.919 14.494 2.228 1.00 33.42 C ATOM 0 HA PRO A 678 12.790 13.608 5.136 1.00 13.45 H new ATOM 0 HB2 PRO A 678 14.926 15.634 4.756 1.00 22.42 H new ATOM 0 HB3 PRO A 678 15.120 13.963 5.246 1.00 22.42 H new ATOM 0 HG2 PRO A 678 15.943 14.869 2.821 1.00 34.44 H new ATOM 0 HG3 PRO A 678 15.417 13.217 3.074 1.00 34.44 H new ATOM 0 HD2 PRO A 678 13.896 15.517 1.852 1.00 33.42 H new ATOM 0 HD3 PRO A 678 13.932 13.835 1.360 1.00 33.42 H new ATOM 1427 N TYR A 679 12.172 15.664 6.314 1.00 20.22 N ATOM 1428 CA TYR A 679 11.552 16.765 7.029 1.00 21.33 C ATOM 1429 C TYR A 679 12.583 17.456 7.897 1.00 35.53 C ATOM 1430 O TYR A 679 13.783 17.136 7.802 1.00 33.00 O ATOM 1431 CB TYR A 679 10.373 16.250 7.882 1.00 50.11 C ATOM 1432 CG TYR A 679 10.328 14.743 8.009 1.00 65.10 C ATOM 1433 CD1 TYR A 679 11.225 14.039 8.804 1.00 11.12 C ATOM 1434 CD2 TYR A 679 9.402 14.038 7.294 1.00 70.34 C ATOM 1435 CE1 TYR A 679 11.181 12.665 8.870 1.00 23.12 C ATOM 1436 CE2 TYR A 679 9.339 12.676 7.338 1.00 74.32 C ATOM 1437 CZ TYR A 679 10.239 11.981 8.131 1.00 72.20 C ATOM 1438 OH TYR A 679 10.211 10.601 8.174 1.00 43.43 O ATOM 0 H TYR A 679 12.380 14.862 6.908 1.00 20.22 H new ATOM 0 HA TYR A 679 11.162 17.486 6.311 1.00 21.33 H new ATOM 0 HB2 TYR A 679 10.438 16.688 8.878 1.00 50.11 H new ATOM 0 HB3 TYR A 679 9.438 16.597 7.441 1.00 50.11 H new ATOM 0 HD1 TYR A 679 11.966 14.577 9.377 1.00 11.12 H new ATOM 0 HD2 TYR A 679 8.698 14.575 6.675 1.00 70.34 H new ATOM 0 HE1 TYR A 679 11.878 12.127 9.495 1.00 23.12 H new ATOM 0 HE2 TYR A 679 8.596 12.145 6.761 1.00 74.32 H new ATOM 0 HH TYR A 679 9.282 10.291 8.134 1.00 43.43 H new ATOM 1448 N ASN A 680 12.143 18.399 8.719 1.00 14.30 N ATOM 1449 CA ASN A 680 13.039 19.107 9.631 1.00 44.32 C ATOM 1450 C ASN A 680 13.624 18.171 10.670 1.00 42.55 C ATOM 1451 O ASN A 680 12.943 17.751 11.617 1.00 72.32 O ATOM 1452 CB ASN A 680 12.375 20.326 10.297 1.00 43.25 C ATOM 1453 CG ASN A 680 12.174 21.503 9.354 1.00 71.33 C ATOM 1454 OD1 ASN A 680 13.049 22.367 9.231 1.00 73.43 O ATOM 1455 ND2 ASN A 680 11.045 21.570 8.706 1.00 4.21 N ATOM 0 H ASN A 680 11.168 18.694 8.775 1.00 14.30 H new ATOM 0 HA ASN A 680 13.855 19.491 9.019 1.00 44.32 H new ATOM 0 HB2 ASN A 680 11.408 20.026 10.701 1.00 43.25 H new ATOM 0 HB3 ASN A 680 12.987 20.647 11.140 1.00 43.25 H new ATOM 0 HD21 ASN A 680 10.864 22.352 8.076 1.00 4.21 H new ATOM 0 HD22 ASN A 680 10.342 20.841 8.829 1.00 4.21 H new ATOM 1461 N ASN A 681 14.867 17.825 10.447 1.00 10.13 N ATOM 1462 CA ASN A 681 15.647 16.934 11.280 1.00 1.22 C ATOM 1463 C ASN A 681 17.094 17.110 10.855 1.00 11.42 C ATOM 1464 O ASN A 681 17.387 17.080 9.664 1.00 62.14 O ATOM 1465 CB ASN A 681 15.172 15.459 11.072 1.00 41.14 C ATOM 1466 CG ASN A 681 15.952 14.395 11.868 1.00 52.31 C ATOM 1467 OD1 ASN A 681 17.140 14.529 12.140 1.00 64.42 O ATOM 1468 ND2 ASN A 681 15.287 13.337 12.234 1.00 34.02 N ATOM 0 H ASN A 681 15.390 18.171 9.643 1.00 10.13 H new ATOM 0 HA ASN A 681 15.529 17.161 12.339 1.00 1.22 H new ATOM 0 HB2 ASN A 681 14.119 15.393 11.345 1.00 41.14 H new ATOM 0 HB3 ASN A 681 15.242 15.219 10.011 1.00 41.14 H new ATOM 0 HD21 ASN A 681 15.754 12.597 12.759 1.00 34.02 H new ATOM 0 HD22 ASN A 681 14.299 13.248 11.996 1.00 34.02 H new ATOM 1474 N GLU A 682 17.978 17.310 11.806 1.00 42.23 N ATOM 1475 CA GLU A 682 19.383 17.569 11.520 1.00 53.34 C ATOM 1476 C GLU A 682 20.054 16.387 10.818 1.00 22.42 C ATOM 1477 O GLU A 682 20.827 16.576 9.889 1.00 5.15 O ATOM 1478 CB GLU A 682 20.123 17.969 12.793 1.00 53.41 C ATOM 1479 CG GLU A 682 21.591 18.279 12.590 1.00 34.24 C ATOM 1480 CD GLU A 682 22.232 18.813 13.833 1.00 53.42 C ATOM 1481 OE1 GLU A 682 22.679 18.017 14.674 1.00 12.10 O ATOM 1482 OE2 GLU A 682 22.300 20.049 13.991 1.00 11.33 O ATOM 0 H GLU A 682 17.750 17.299 12.800 1.00 42.23 H new ATOM 0 HA GLU A 682 19.433 18.407 10.824 1.00 53.34 H new ATOM 0 HB2 GLU A 682 19.635 18.844 13.223 1.00 53.41 H new ATOM 0 HB3 GLU A 682 20.031 17.163 13.521 1.00 53.41 H new ATOM 0 HG2 GLU A 682 22.111 17.375 12.274 1.00 34.24 H new ATOM 0 HG3 GLU A 682 21.699 19.007 11.786 1.00 34.24 H new ATOM 1489 N LYS A 683 19.731 15.181 11.239 1.00 30.44 N ATOM 1490 CA LYS A 683 20.286 13.991 10.606 1.00 1.10 C ATOM 1491 C LYS A 683 19.520 13.687 9.322 1.00 44.22 C ATOM 1492 O LYS A 683 20.034 13.034 8.425 1.00 43.40 O ATOM 1493 CB LYS A 683 20.273 12.795 11.582 1.00 31.34 C ATOM 1494 CG LYS A 683 20.759 11.459 11.000 1.00 70.04 C ATOM 1495 CD LYS A 683 22.159 11.551 10.384 1.00 15.14 C ATOM 1496 CE LYS A 683 23.225 11.969 11.381 1.00 41.00 C ATOM 1497 NZ LYS A 683 24.555 12.056 10.739 1.00 24.21 N ATOM 0 H LYS A 683 19.092 14.994 12.011 1.00 30.44 H new ATOM 0 HA LYS A 683 21.328 14.175 10.343 1.00 1.10 H new ATOM 0 HB2 LYS A 683 20.895 13.044 12.442 1.00 31.34 H new ATOM 0 HB3 LYS A 683 19.256 12.662 11.952 1.00 31.34 H new ATOM 0 HG2 LYS A 683 20.763 10.705 11.787 1.00 70.04 H new ATOM 0 HG3 LYS A 683 20.054 11.122 10.240 1.00 70.04 H new ATOM 0 HD2 LYS A 683 22.427 10.583 9.960 1.00 15.14 H new ATOM 0 HD3 LYS A 683 22.140 12.265 9.561 1.00 15.14 H new ATOM 0 HE2 LYS A 683 22.963 12.935 11.813 1.00 41.00 H new ATOM 0 HE3 LYS A 683 23.261 11.252 12.201 1.00 41.00 H new ATOM 0 HZ1 LYS A 683 25.263 12.344 11.445 1.00 24.21 H new ATOM 0 HZ2 LYS A 683 24.813 11.128 10.348 1.00 24.21 H new ATOM 0 HZ3 LYS A 683 24.525 12.758 9.972 1.00 24.21 H new ATOM 1511 N ARG A 684 18.299 14.214 9.265 1.00 71.54 N ATOM 1512 CA ARG A 684 17.358 14.109 8.133 1.00 44.35 C ATOM 1513 C ARG A 684 17.167 12.708 7.586 1.00 14.53 C ATOM 1514 O ARG A 684 17.997 12.155 6.857 1.00 52.30 O ATOM 1515 CB ARG A 684 17.610 15.127 7.005 1.00 34.25 C ATOM 1516 CG ARG A 684 18.936 14.995 6.315 1.00 44.41 C ATOM 1517 CD ARG A 684 19.063 15.993 5.206 1.00 5.32 C ATOM 1518 NE ARG A 684 20.387 15.980 4.593 1.00 31.44 N ATOM 1519 CZ ARG A 684 20.890 16.986 3.880 1.00 15.24 C ATOM 1520 NH1 ARG A 684 20.174 18.095 3.682 1.00 45.34 N ATOM 1521 NH2 ARG A 684 22.106 16.888 3.370 1.00 41.23 N ATOM 0 H ARG A 684 17.913 14.753 10.040 1.00 71.54 H new ATOM 0 HA ARG A 684 16.407 14.379 8.592 1.00 44.35 H new ATOM 0 HB2 ARG A 684 16.819 15.026 6.262 1.00 34.25 H new ATOM 0 HB3 ARG A 684 17.532 16.132 7.419 1.00 34.25 H new ATOM 0 HG2 ARG A 684 19.741 15.141 7.035 1.00 44.41 H new ATOM 0 HG3 ARG A 684 19.044 13.986 5.916 1.00 44.41 H new ATOM 0 HD2 ARG A 684 18.311 15.783 4.445 1.00 5.32 H new ATOM 0 HD3 ARG A 684 18.855 16.990 5.593 1.00 5.32 H new ATOM 0 HE ARG A 684 20.964 15.148 4.718 1.00 31.44 H new ATOM 0 HH11 ARG A 684 19.237 18.175 4.078 1.00 45.34 H new ATOM 0 HH12 ARG A 684 20.564 18.863 3.135 1.00 45.34 H new ATOM 0 HH21 ARG A 684 22.657 16.043 3.523 1.00 41.23 H new ATOM 0 HH22 ARG A 684 22.493 17.657 2.824 1.00 41.23 H new ATOM 1533 N THR A 685 16.084 12.156 7.926 1.00 15.41 N ATOM 1534 CA THR A 685 15.716 10.891 7.426 1.00 42.12 C ATOM 1535 C THR A 685 14.594 11.096 6.407 1.00 11.41 C ATOM 1536 O THR A 685 13.666 11.894 6.642 1.00 5.12 O ATOM 1537 CB THR A 685 15.300 9.903 8.571 1.00 31.55 C ATOM 1538 OG1 THR A 685 14.945 8.623 8.028 1.00 63.05 O ATOM 1539 CG2 THR A 685 14.145 10.451 9.404 1.00 34.51 C ATOM 0 H THR A 685 15.410 12.569 8.570 1.00 15.41 H new ATOM 0 HA THR A 685 16.573 10.424 6.940 1.00 42.12 H new ATOM 0 HB THR A 685 16.163 9.790 9.228 1.00 31.55 H new ATOM 0 HG1 THR A 685 14.690 8.018 8.756 1.00 63.05 H new ATOM 0 HG21 THR A 685 13.889 9.736 10.185 1.00 34.51 H new ATOM 0 HG22 THR A 685 14.441 11.396 9.860 1.00 34.51 H new ATOM 0 HG23 THR A 685 13.279 10.614 8.763 1.00 34.51 H new ATOM 1545 N PRO A 686 14.698 10.464 5.236 1.00 13.34 N ATOM 1546 CA PRO A 686 13.675 10.560 4.217 1.00 42.12 C ATOM 1547 C PRO A 686 12.383 9.917 4.678 1.00 2.40 C ATOM 1548 O PRO A 686 12.393 8.806 5.234 1.00 44.35 O ATOM 1549 CB PRO A 686 14.260 9.803 3.025 1.00 11.02 C ATOM 1550 CG PRO A 686 15.328 8.935 3.586 1.00 11.52 C ATOM 1551 CD PRO A 686 15.833 9.619 4.818 1.00 72.04 C ATOM 0 HA PRO A 686 13.427 11.594 3.977 1.00 42.12 H new ATOM 0 HB2 PRO A 686 13.495 9.209 2.525 1.00 11.02 H new ATOM 0 HB3 PRO A 686 14.664 10.492 2.284 1.00 11.02 H new ATOM 0 HG2 PRO A 686 14.938 7.946 3.825 1.00 11.52 H new ATOM 0 HG3 PRO A 686 16.132 8.795 2.864 1.00 11.52 H new ATOM 0 HD2 PRO A 686 16.105 8.901 5.592 1.00 72.04 H new ATOM 0 HD3 PRO A 686 16.721 10.215 4.610 1.00 72.04 H new ATOM 1559 N ARG A 687 11.291 10.621 4.469 1.00 11.42 N ATOM 1560 CA ARG A 687 9.968 10.177 4.848 1.00 43.42 C ATOM 1561 C ARG A 687 9.664 8.794 4.282 1.00 61.55 C ATOM 1562 O ARG A 687 10.110 8.453 3.180 1.00 54.13 O ATOM 1563 CB ARG A 687 8.968 11.204 4.355 1.00 5.43 C ATOM 1564 CG ARG A 687 7.539 10.930 4.687 1.00 61.10 C ATOM 1565 CD ARG A 687 6.666 12.087 4.246 1.00 62.22 C ATOM 1566 NE ARG A 687 6.867 13.313 5.042 1.00 22.11 N ATOM 1567 CZ ARG A 687 7.401 14.464 4.597 1.00 4.11 C ATOM 1568 NH1 ARG A 687 7.987 14.518 3.413 1.00 60.53 N ATOM 1569 NH2 ARG A 687 7.374 15.543 5.361 1.00 74.21 N ATOM 0 H ARG A 687 11.299 11.537 4.021 1.00 11.42 H new ATOM 0 HA ARG A 687 9.905 10.089 5.933 1.00 43.42 H new ATOM 0 HB2 ARG A 687 9.238 12.175 4.770 1.00 5.43 H new ATOM 0 HB3 ARG A 687 9.061 11.283 3.272 1.00 5.43 H new ATOM 0 HG2 ARG A 687 7.214 10.013 4.196 1.00 61.10 H new ATOM 0 HG3 ARG A 687 7.432 10.773 5.760 1.00 61.10 H new ATOM 0 HD2 ARG A 687 6.870 12.306 3.198 1.00 62.22 H new ATOM 0 HD3 ARG A 687 5.620 11.788 4.312 1.00 62.22 H new ATOM 0 HE ARG A 687 6.574 13.285 6.019 1.00 22.11 H new ATOM 0 HH11 ARG A 687 8.036 13.683 2.830 1.00 60.53 H new ATOM 0 HH12 ARG A 687 8.390 15.395 3.083 1.00 60.53 H new ATOM 0 HH21 ARG A 687 6.948 15.502 6.287 1.00 74.21 H new ATOM 0 HH22 ARG A 687 7.779 16.417 5.024 1.00 74.21 H new ATOM 1581 N ALA A 688 8.933 8.015 5.047 1.00 12.42 N ATOM 1582 CA ALA A 688 8.614 6.661 4.684 1.00 11.12 C ATOM 1583 C ALA A 688 7.150 6.357 4.954 1.00 31.33 C ATOM 1584 O ALA A 688 6.527 6.966 5.835 1.00 64.34 O ATOM 1585 CB ALA A 688 9.495 5.696 5.464 1.00 72.24 C ATOM 0 H ALA A 688 8.543 8.309 5.943 1.00 12.42 H new ATOM 0 HA ALA A 688 8.798 6.539 3.617 1.00 11.12 H new ATOM 0 HB1 ALA A 688 9.249 4.672 5.185 1.00 72.24 H new ATOM 0 HB2 ALA A 688 10.542 5.893 5.235 1.00 72.24 H new ATOM 0 HB3 ALA A 688 9.326 5.831 6.532 1.00 72.24 H new ATOM 1591 N THR A 689 6.619 5.435 4.198 1.00 40.51 N ATOM 1592 CA THR A 689 5.252 4.978 4.346 1.00 52.43 C ATOM 1593 C THR A 689 5.251 3.499 4.607 1.00 13.15 C ATOM 1594 O THR A 689 5.830 2.733 3.835 1.00 51.34 O ATOM 1595 CB THR A 689 4.453 5.240 3.055 1.00 1.44 C ATOM 1596 OG1 THR A 689 4.432 6.613 2.806 1.00 1.41 O ATOM 1597 CG2 THR A 689 3.028 4.726 3.149 1.00 31.24 C ATOM 0 H THR A 689 7.128 4.968 3.447 1.00 40.51 H new ATOM 0 HA THR A 689 4.793 5.518 5.174 1.00 52.43 H new ATOM 0 HB THR A 689 4.944 4.705 2.242 1.00 1.44 H new ATOM 0 HG1 THR A 689 3.550 6.870 2.466 1.00 1.41 H new ATOM 0 HG21 THR A 689 2.504 4.933 2.216 1.00 31.24 H new ATOM 0 HG22 THR A 689 3.040 3.651 3.327 1.00 31.24 H new ATOM 0 HG23 THR A 689 2.515 5.224 3.972 1.00 31.24 H new ATOM 1603 N LEU A 690 4.642 3.086 5.680 1.00 34.30 N ATOM 1604 CA LEU A 690 4.542 1.722 5.953 1.00 13.41 C ATOM 1605 C LEU A 690 3.079 1.335 6.151 1.00 62.14 C ATOM 1606 O LEU A 690 2.364 1.927 6.961 1.00 43.14 O ATOM 1607 CB LEU A 690 5.452 1.335 7.144 1.00 54.34 C ATOM 1608 CG LEU A 690 5.463 -0.143 7.547 1.00 14.11 C ATOM 1609 CD1 LEU A 690 6.700 -0.457 8.350 1.00 74.31 C ATOM 1610 CD2 LEU A 690 4.247 -0.491 8.386 1.00 41.33 C ATOM 0 H LEU A 690 4.210 3.697 6.373 1.00 34.30 H new ATOM 0 HA LEU A 690 4.904 1.147 5.101 1.00 13.41 H new ATOM 0 HB2 LEU A 690 6.473 1.630 6.902 1.00 54.34 H new ATOM 0 HB3 LEU A 690 5.147 1.922 8.010 1.00 54.34 H new ATOM 0 HG LEU A 690 5.450 -0.731 6.629 1.00 14.11 H new ATOM 0 HD11 LEU A 690 6.695 -1.511 8.630 1.00 74.31 H new ATOM 0 HD12 LEU A 690 7.586 -0.245 7.751 1.00 74.31 H new ATOM 0 HD13 LEU A 690 6.715 0.157 9.250 1.00 74.31 H new ATOM 0 HD21 LEU A 690 4.282 -1.546 8.657 1.00 41.33 H new ATOM 0 HD22 LEU A 690 4.244 0.116 9.291 1.00 41.33 H new ATOM 0 HD23 LEU A 690 3.341 -0.293 7.813 1.00 41.33 H new ATOM 1618 N ILE A 691 2.650 0.359 5.404 1.00 72.35 N ATOM 1619 CA ILE A 691 1.300 -0.144 5.482 1.00 25.02 C ATOM 1620 C ILE A 691 1.322 -1.433 6.276 1.00 21.41 C ATOM 1621 O ILE A 691 2.202 -2.266 6.069 1.00 3.41 O ATOM 1622 CB ILE A 691 0.676 -0.480 4.075 1.00 22.24 C ATOM 1623 CG1 ILE A 691 0.583 0.717 3.112 1.00 12.35 C ATOM 1624 CG2 ILE A 691 -0.691 -1.086 4.239 1.00 14.44 C ATOM 1625 CD1 ILE A 691 1.896 1.299 2.657 1.00 44.43 C ATOM 0 H ILE A 691 3.231 -0.118 4.714 1.00 72.35 H new ATOM 0 HA ILE A 691 0.696 0.637 5.943 1.00 25.02 H new ATOM 0 HB ILE A 691 1.367 -1.190 3.621 1.00 22.24 H new ATOM 0 HG12 ILE A 691 0.020 0.407 2.231 1.00 12.35 H new ATOM 0 HG13 ILE A 691 0.007 1.505 3.597 1.00 12.35 H new ATOM 0 HG21 ILE A 691 -1.109 -1.312 3.258 1.00 14.44 H new ATOM 0 HG22 ILE A 691 -0.614 -2.004 4.822 1.00 14.44 H new ATOM 0 HG23 ILE A 691 -1.342 -0.381 4.756 1.00 14.44 H new ATOM 0 HD11 ILE A 691 1.709 2.135 1.983 1.00 44.43 H new ATOM 0 HD12 ILE A 691 2.458 1.649 3.523 1.00 44.43 H new ATOM 0 HD13 ILE A 691 2.472 0.534 2.136 1.00 44.43 H new ATOM 1632 N THR A 692 0.397 -1.585 7.175 1.00 53.01 N ATOM 1633 CA THR A 692 0.268 -2.796 7.923 1.00 34.53 C ATOM 1634 C THR A 692 -1.016 -3.508 7.453 1.00 71.23 C ATOM 1635 O THR A 692 -2.122 -2.960 7.586 1.00 61.42 O ATOM 1636 CB THR A 692 0.189 -2.468 9.423 1.00 25.21 C ATOM 1637 OG1 THR A 692 1.316 -1.626 9.750 1.00 3.44 O ATOM 1638 CG2 THR A 692 0.265 -3.737 10.259 1.00 0.32 C ATOM 0 H THR A 692 -0.291 -0.870 7.410 1.00 53.01 H new ATOM 0 HA THR A 692 1.129 -3.445 7.763 1.00 34.53 H new ATOM 0 HB THR A 692 -0.757 -1.970 9.637 1.00 25.21 H new ATOM 0 HG1 THR A 692 1.579 -1.779 10.681 1.00 3.44 H new ATOM 0 HG21 THR A 692 0.207 -3.480 11.317 1.00 0.32 H new ATOM 0 HG22 THR A 692 -0.565 -4.394 9.999 1.00 0.32 H new ATOM 0 HG23 THR A 692 1.207 -4.247 10.061 1.00 0.32 H new ATOM 1644 N PHE A 693 -0.863 -4.681 6.869 1.00 41.54 N ATOM 1645 CA PHE A 693 -1.985 -5.428 6.320 1.00 35.02 C ATOM 1646 C PHE A 693 -2.597 -6.352 7.353 1.00 72.40 C ATOM 1647 O PHE A 693 -1.954 -7.305 7.827 1.00 1.42 O ATOM 1648 CB PHE A 693 -1.556 -6.257 5.088 1.00 3.01 C ATOM 1649 CG PHE A 693 -1.091 -5.443 3.902 1.00 20.33 C ATOM 1650 CD1 PHE A 693 0.166 -4.873 3.883 1.00 12.41 C ATOM 1651 CD2 PHE A 693 -1.920 -5.245 2.813 1.00 72.35 C ATOM 1652 CE1 PHE A 693 0.585 -4.121 2.808 1.00 32.33 C ATOM 1653 CE2 PHE A 693 -1.501 -4.493 1.731 1.00 52.34 C ATOM 1654 CZ PHE A 693 -0.248 -3.930 1.730 1.00 3.32 C ATOM 0 H PHE A 693 0.039 -5.144 6.760 1.00 41.54 H new ATOM 0 HA PHE A 693 -2.732 -4.694 6.016 1.00 35.02 H new ATOM 0 HB2 PHE A 693 -0.753 -6.932 5.384 1.00 3.01 H new ATOM 0 HB3 PHE A 693 -2.396 -6.879 4.777 1.00 3.01 H new ATOM 0 HD1 PHE A 693 0.830 -5.019 4.722 1.00 12.41 H new ATOM 0 HD2 PHE A 693 -2.907 -5.683 2.808 1.00 72.35 H new ATOM 0 HE1 PHE A 693 1.571 -3.680 2.811 1.00 32.33 H new ATOM 0 HE2 PHE A 693 -2.159 -4.348 0.887 1.00 52.34 H new ATOM 0 HZ PHE A 693 0.081 -3.340 0.887 1.00 3.32 H new ATOM 1664 N LEU A 694 -3.826 -6.075 7.689 1.00 53.33 N ATOM 1665 CA LEU A 694 -4.600 -6.898 8.572 1.00 41.24 C ATOM 1666 C LEU A 694 -5.691 -7.539 7.764 1.00 1.21 C ATOM 1667 O LEU A 694 -6.039 -7.044 6.695 1.00 33.32 O ATOM 1668 CB LEU A 694 -5.213 -6.131 9.770 1.00 21.15 C ATOM 1669 CG LEU A 694 -4.246 -5.524 10.808 1.00 13.05 C ATOM 1670 CD1 LEU A 694 -3.517 -4.303 10.276 1.00 22.23 C ATOM 1671 CD2 LEU A 694 -4.976 -5.210 12.096 1.00 75.04 C ATOM 0 H LEU A 694 -4.327 -5.254 7.349 1.00 53.33 H new ATOM 0 HA LEU A 694 -3.929 -7.637 9.010 1.00 41.24 H new ATOM 0 HB2 LEU A 694 -5.826 -5.323 9.371 1.00 21.15 H new ATOM 0 HB3 LEU A 694 -5.884 -6.811 10.295 1.00 21.15 H new ATOM 0 HG LEU A 694 -3.483 -6.274 11.017 1.00 13.05 H new ATOM 0 HD11 LEU A 694 -2.849 -3.914 11.045 1.00 22.23 H new ATOM 0 HD12 LEU A 694 -2.935 -4.581 9.397 1.00 22.23 H new ATOM 0 HD13 LEU A 694 -4.242 -3.536 10.004 1.00 22.23 H new ATOM 0 HD21 LEU A 694 -4.277 -4.783 12.815 1.00 75.04 H new ATOM 0 HD22 LEU A 694 -5.774 -4.495 11.897 1.00 75.04 H new ATOM 0 HD23 LEU A 694 -5.403 -6.126 12.505 1.00 75.04 H new ATOM 1679 N CYS A 695 -6.220 -8.609 8.242 1.00 30.31 N ATOM 1680 CA CYS A 695 -7.237 -9.326 7.517 1.00 20.44 C ATOM 1681 C CYS A 695 -8.565 -9.219 8.255 1.00 60.12 C ATOM 1682 O CYS A 695 -9.483 -10.020 8.048 1.00 42.44 O ATOM 1683 CB CYS A 695 -6.817 -10.782 7.390 1.00 33.44 C ATOM 1684 SG CYS A 695 -7.866 -11.784 6.291 1.00 64.41 S ATOM 0 H CYS A 695 -5.969 -9.020 9.141 1.00 30.31 H new ATOM 0 HA CYS A 695 -7.358 -8.898 6.522 1.00 20.44 H new ATOM 0 HB2 CYS A 695 -5.791 -10.819 7.024 1.00 33.44 H new ATOM 0 HB3 CYS A 695 -6.818 -11.234 8.382 1.00 33.44 H new ATOM 1689 N ASP A 696 -8.680 -8.216 9.101 1.00 62.34 N ATOM 1690 CA ASP A 696 -9.890 -8.055 9.881 1.00 72.53 C ATOM 1691 C ASP A 696 -11.010 -7.544 9.016 1.00 13.14 C ATOM 1692 O ASP A 696 -10.955 -6.409 8.517 1.00 51.42 O ATOM 1693 CB ASP A 696 -9.670 -7.119 11.071 1.00 61.05 C ATOM 1694 CG ASP A 696 -10.913 -6.964 11.920 1.00 2.12 C ATOM 1695 OD1 ASP A 696 -11.180 -7.847 12.759 1.00 10.41 O ATOM 1696 OD2 ASP A 696 -11.638 -5.971 11.766 1.00 11.24 O ATOM 0 H ASP A 696 -7.963 -7.510 9.265 1.00 62.34 H new ATOM 0 HA ASP A 696 -10.164 -9.035 10.272 1.00 72.53 H new ATOM 0 HB2 ASP A 696 -8.858 -7.504 11.688 1.00 61.05 H new ATOM 0 HB3 ASP A 696 -9.357 -6.140 10.707 1.00 61.05 H new ATOM 1745 N GLY A 700 -12.320 -6.648 0.662 1.00 21.01 N ATOM 1746 CA GLY A 700 -11.781 -6.981 -0.637 1.00 54.22 C ATOM 1747 C GLY A 700 -10.274 -6.906 -0.630 1.00 53.54 C ATOM 1748 O GLY A 700 -9.626 -7.465 0.281 1.00 4.23 O ATOM 0 HA2 GLY A 700 -12.098 -7.985 -0.920 1.00 54.22 H new ATOM 0 HA3 GLY A 700 -12.180 -6.298 -1.387 1.00 54.22 H new ATOM 1752 N VAL A 701 -9.711 -6.211 -1.618 1.00 31.21 N ATOM 1753 CA VAL A 701 -8.279 -5.983 -1.704 1.00 50.12 C ATOM 1754 C VAL A 701 -7.782 -5.134 -0.546 1.00 71.54 C ATOM 1755 O VAL A 701 -6.625 -5.214 -0.156 1.00 41.42 O ATOM 1756 CB VAL A 701 -7.865 -5.336 -3.042 1.00 33.44 C ATOM 1757 CG1 VAL A 701 -8.029 -6.306 -4.196 1.00 11.33 C ATOM 1758 CG2 VAL A 701 -8.660 -4.069 -3.312 1.00 11.12 C ATOM 0 H VAL A 701 -10.242 -5.791 -2.381 1.00 31.21 H new ATOM 0 HA VAL A 701 -7.812 -6.966 -1.649 1.00 50.12 H new ATOM 0 HB VAL A 701 -6.811 -5.072 -2.958 1.00 33.44 H new ATOM 0 HG11 VAL A 701 -7.729 -5.821 -5.125 1.00 11.33 H new ATOM 0 HG12 VAL A 701 -7.404 -7.182 -4.026 1.00 11.33 H new ATOM 0 HG13 VAL A 701 -9.072 -6.613 -4.268 1.00 11.33 H new ATOM 0 HG21 VAL A 701 -8.345 -3.637 -4.262 1.00 11.12 H new ATOM 0 HG22 VAL A 701 -9.722 -4.309 -3.357 1.00 11.12 H new ATOM 0 HG23 VAL A 701 -8.484 -3.351 -2.511 1.00 11.12 H new ATOM 1764 N GLY A 702 -8.661 -4.352 -0.006 1.00 3.43 N ATOM 1765 CA GLY A 702 -8.352 -3.555 1.131 1.00 74.33 C ATOM 1766 C GLY A 702 -8.122 -2.117 0.796 1.00 72.41 C ATOM 1767 O GLY A 702 -7.691 -1.782 -0.307 1.00 4.43 O ATOM 0 H GLY A 702 -9.618 -4.250 -0.345 1.00 3.43 H new ATOM 0 HA2 GLY A 702 -9.168 -3.628 1.850 1.00 74.33 H new ATOM 0 HA3 GLY A 702 -7.462 -3.955 1.616 1.00 74.33 H new ATOM 1771 N PHE A 703 -8.450 -1.274 1.716 1.00 51.51 N ATOM 1772 CA PHE A 703 -8.238 0.132 1.570 1.00 1.43 C ATOM 1773 C PHE A 703 -7.275 0.598 2.665 1.00 3.14 C ATOM 1774 O PHE A 703 -7.408 0.171 3.815 1.00 20.01 O ATOM 1775 CB PHE A 703 -9.585 0.864 1.660 1.00 35.43 C ATOM 1776 CG PHE A 703 -9.498 2.344 1.477 1.00 1.43 C ATOM 1777 CD1 PHE A 703 -9.311 2.884 0.220 1.00 14.34 C ATOM 1778 CD2 PHE A 703 -9.591 3.193 2.558 1.00 73.05 C ATOM 1779 CE1 PHE A 703 -9.222 4.241 0.046 1.00 75.44 C ATOM 1780 CE2 PHE A 703 -9.500 4.552 2.394 1.00 62.30 C ATOM 1781 CZ PHE A 703 -9.316 5.078 1.136 1.00 31.35 C ATOM 0 H PHE A 703 -8.878 -1.542 2.602 1.00 51.51 H new ATOM 0 HA PHE A 703 -7.798 0.357 0.598 1.00 1.43 H new ATOM 0 HB2 PHE A 703 -10.257 0.456 0.905 1.00 35.43 H new ATOM 0 HB3 PHE A 703 -10.033 0.656 2.632 1.00 35.43 H new ATOM 0 HD1 PHE A 703 -9.234 2.230 -0.636 1.00 14.34 H new ATOM 0 HD2 PHE A 703 -9.737 2.784 3.547 1.00 73.05 H new ATOM 0 HE1 PHE A 703 -9.079 4.652 -0.942 1.00 75.44 H new ATOM 0 HE2 PHE A 703 -9.573 5.207 3.250 1.00 62.30 H new ATOM 0 HZ PHE A 703 -9.245 6.147 1.003 1.00 31.35 H new ATOM 1791 N PRO A 704 -6.267 1.420 2.333 1.00 32.34 N ATOM 1792 CA PRO A 704 -5.344 1.952 3.329 1.00 65.23 C ATOM 1793 C PRO A 704 -5.934 3.152 4.078 1.00 21.53 C ATOM 1794 O PRO A 704 -6.542 4.025 3.482 1.00 60.55 O ATOM 1795 CB PRO A 704 -4.139 2.399 2.500 1.00 2.03 C ATOM 1796 CG PRO A 704 -4.675 2.678 1.132 1.00 42.42 C ATOM 1797 CD PRO A 704 -5.939 1.868 0.969 1.00 3.43 C ATOM 0 HA PRO A 704 -5.105 1.214 4.094 1.00 65.23 H new ATOM 0 HB2 PRO A 704 -3.676 3.288 2.929 1.00 2.03 H new ATOM 0 HB3 PRO A 704 -3.374 1.623 2.471 1.00 2.03 H new ATOM 0 HG2 PRO A 704 -4.882 3.741 1.010 1.00 42.42 H new ATOM 0 HG3 PRO A 704 -3.944 2.406 0.370 1.00 42.42 H new ATOM 0 HD2 PRO A 704 -6.743 2.468 0.544 1.00 3.43 H new ATOM 0 HD3 PRO A 704 -5.785 1.022 0.299 1.00 3.43 H new ATOM 1805 N GLU A 705 -5.740 3.174 5.371 1.00 61.25 N ATOM 1806 CA GLU A 705 -6.205 4.255 6.217 1.00 42.21 C ATOM 1807 C GLU A 705 -5.103 4.781 7.096 1.00 41.33 C ATOM 1808 O GLU A 705 -4.381 4.023 7.718 1.00 51.20 O ATOM 1809 CB GLU A 705 -7.423 3.822 7.025 1.00 1.44 C ATOM 1810 CG GLU A 705 -8.719 3.881 6.224 1.00 72.14 C ATOM 1811 CD GLU A 705 -9.169 5.309 5.973 1.00 42.23 C ATOM 1812 OE1 GLU A 705 -8.436 6.085 5.343 1.00 61.22 O ATOM 1813 OE2 GLU A 705 -10.258 5.695 6.450 1.00 14.21 O ATOM 0 H GLU A 705 -5.250 2.436 5.877 1.00 61.25 H new ATOM 0 HA GLU A 705 -6.513 5.079 5.574 1.00 42.21 H new ATOM 0 HB2 GLU A 705 -7.271 2.805 7.385 1.00 1.44 H new ATOM 0 HB3 GLU A 705 -7.516 4.461 7.903 1.00 1.44 H new ATOM 0 HG2 GLU A 705 -8.579 3.372 5.270 1.00 72.14 H new ATOM 0 HG3 GLU A 705 -9.501 3.344 6.760 1.00 72.14 H new ATOM 1820 N TYR A 706 -4.985 6.071 7.131 1.00 52.21 N ATOM 1821 CA TYR A 706 -3.932 6.751 7.859 1.00 3.42 C ATOM 1822 C TYR A 706 -4.257 6.754 9.348 1.00 54.04 C ATOM 1823 O TYR A 706 -5.381 7.105 9.739 1.00 24.34 O ATOM 1824 CB TYR A 706 -3.846 8.175 7.310 1.00 4.31 C ATOM 1825 CG TYR A 706 -2.697 9.021 7.792 1.00 63.15 C ATOM 1826 CD1 TYR A 706 -1.395 8.587 7.655 1.00 43.13 C ATOM 1827 CD2 TYR A 706 -2.916 10.287 8.318 1.00 5.03 C ATOM 1828 CE1 TYR A 706 -0.342 9.382 8.025 1.00 72.31 C ATOM 1829 CE2 TYR A 706 -1.866 11.086 8.701 1.00 71.31 C ATOM 1830 CZ TYR A 706 -0.579 10.628 8.548 1.00 63.33 C ATOM 1831 OH TYR A 706 0.472 11.427 8.887 1.00 23.01 O ATOM 0 H TYR A 706 -5.624 6.703 6.649 1.00 52.21 H new ATOM 0 HA TYR A 706 -2.974 6.247 7.734 1.00 3.42 H new ATOM 0 HB2 TYR A 706 -3.792 8.117 6.223 1.00 4.31 H new ATOM 0 HB3 TYR A 706 -4.774 8.691 7.556 1.00 4.31 H new ATOM 0 HD1 TYR A 706 -1.202 7.605 7.250 1.00 43.13 H new ATOM 0 HD2 TYR A 706 -3.927 10.649 8.428 1.00 5.03 H new ATOM 0 HE1 TYR A 706 0.672 9.029 7.905 1.00 72.31 H new ATOM 0 HE2 TYR A 706 -2.050 12.065 9.118 1.00 71.31 H new ATOM 0 HH TYR A 706 1.208 11.285 8.256 1.00 23.01 H new ATOM 1841 N GLN A 707 -3.295 6.359 10.188 1.00 20.21 N ATOM 1842 CA GLN A 707 -3.551 6.310 11.625 1.00 34.15 C ATOM 1843 C GLN A 707 -3.295 7.658 12.303 1.00 12.20 C ATOM 1844 O GLN A 707 -3.455 7.788 13.524 1.00 11.12 O ATOM 1845 CB GLN A 707 -2.800 5.171 12.349 1.00 4.03 C ATOM 1846 CG GLN A 707 -3.112 3.773 11.837 1.00 13.24 C ATOM 1847 CD GLN A 707 -2.831 2.705 12.893 1.00 4.44 C ATOM 1848 OE1 GLN A 707 -3.707 2.371 13.694 1.00 74.14 O ATOM 1849 NE2 GLN A 707 -1.661 2.154 12.898 1.00 35.15 N ATOM 0 H GLN A 707 -2.357 6.076 9.905 1.00 20.21 H new ATOM 0 HA GLN A 707 -4.613 6.083 11.718 1.00 34.15 H new ATOM 0 HB2 GLN A 707 -1.728 5.346 12.256 1.00 4.03 H new ATOM 0 HB3 GLN A 707 -3.039 5.215 13.411 1.00 4.03 H new ATOM 0 HG2 GLN A 707 -4.159 3.721 11.537 1.00 13.24 H new ATOM 0 HG3 GLN A 707 -2.515 3.570 10.948 1.00 13.24 H new ATOM 0 HE21 GLN A 707 -0.955 2.450 12.224 1.00 35.15 H new ATOM 0 HE22 GLN A 707 -1.444 1.424 13.576 1.00 35.15 H new ATOM 1912 N SER A 712 7.428 11.575 11.394 1.00 75.03 N ATOM 1913 CA SER A 712 8.358 10.765 10.649 1.00 51.23 C ATOM 1914 C SER A 712 7.735 9.528 9.987 1.00 51.33 C ATOM 1915 O SER A 712 7.581 9.486 8.769 1.00 64.23 O ATOM 1916 CB SER A 712 9.571 10.387 11.512 1.00 33.34 C ATOM 1917 OG SER A 712 10.504 9.604 10.782 1.00 22.02 O ATOM 0 HA SER A 712 8.692 11.391 9.821 1.00 51.23 H new ATOM 0 HB2 SER A 712 10.058 11.293 11.874 1.00 33.34 H new ATOM 0 HB3 SER A 712 9.237 9.833 12.389 1.00 33.34 H new ATOM 0 HG SER A 712 10.487 9.869 9.839 1.00 22.02 H new ATOM 1923 N THR A 713 7.390 8.534 10.759 1.00 13.23 N ATOM 1924 CA THR A 713 6.909 7.307 10.186 1.00 12.32 C ATOM 1925 C THR A 713 5.391 7.308 10.088 1.00 13.42 C ATOM 1926 O THR A 713 4.707 7.443 11.087 1.00 10.34 O ATOM 1927 CB THR A 713 7.415 6.104 11.000 1.00 42.25 C ATOM 1928 OG1 THR A 713 8.857 6.202 11.091 1.00 40.23 O ATOM 1929 CG2 THR A 713 7.048 4.791 10.312 1.00 23.21 C ATOM 0 H THR A 713 7.432 8.548 11.778 1.00 13.23 H new ATOM 0 HA THR A 713 7.301 7.222 9.173 1.00 12.32 H new ATOM 0 HB THR A 713 6.955 6.115 11.988 1.00 42.25 H new ATOM 0 HG1 THR A 713 9.204 5.445 11.608 1.00 40.23 H new ATOM 0 HG21 THR A 713 7.416 3.954 10.905 1.00 23.21 H new ATOM 0 HG22 THR A 713 5.964 4.720 10.217 1.00 23.21 H new ATOM 0 HG23 THR A 713 7.501 4.760 9.321 1.00 23.21 H new ATOM 1935 N TYR A 714 4.898 7.190 8.869 1.00 74.21 N ATOM 1936 CA TYR A 714 3.469 7.185 8.579 1.00 31.33 C ATOM 1937 C TYR A 714 2.984 5.743 8.536 1.00 74.14 C ATOM 1938 O TYR A 714 3.647 4.881 7.921 1.00 54.12 O ATOM 1939 CB TYR A 714 3.209 7.879 7.214 1.00 73.01 C ATOM 1940 CG TYR A 714 3.588 9.370 7.151 1.00 21.43 C ATOM 1941 CD1 TYR A 714 4.855 9.806 7.495 1.00 63.30 C ATOM 1942 CD2 TYR A 714 2.667 10.332 6.758 1.00 44.02 C ATOM 1943 CE1 TYR A 714 5.200 11.135 7.450 1.00 30.24 C ATOM 1944 CE2 TYR A 714 3.008 11.669 6.708 1.00 21.13 C ATOM 1945 CZ TYR A 714 4.277 12.061 7.057 1.00 32.13 C ATOM 1946 OH TYR A 714 4.632 13.391 6.992 1.00 11.15 O ATOM 0 H TYR A 714 5.483 7.093 8.039 1.00 74.21 H new ATOM 0 HA TYR A 714 2.929 7.729 9.354 1.00 31.33 H new ATOM 0 HB2 TYR A 714 3.766 7.347 6.443 1.00 73.01 H new ATOM 0 HB3 TYR A 714 2.151 7.779 6.970 1.00 73.01 H new ATOM 0 HD1 TYR A 714 5.593 9.082 7.807 1.00 63.30 H new ATOM 0 HD2 TYR A 714 1.666 10.029 6.487 1.00 44.02 H new ATOM 0 HE1 TYR A 714 6.197 11.446 7.724 1.00 30.24 H new ATOM 0 HE2 TYR A 714 2.280 12.403 6.396 1.00 21.13 H new ATOM 0 HH TYR A 714 5.324 13.578 7.660 1.00 11.15 H new ATOM 1956 N ASN A 715 1.860 5.463 9.169 1.00 3.41 N ATOM 1957 CA ASN A 715 1.361 4.105 9.229 1.00 53.43 C ATOM 1958 C ASN A 715 -0.026 4.012 8.664 1.00 42.22 C ATOM 1959 O ASN A 715 -0.909 4.823 8.978 1.00 54.22 O ATOM 1960 CB ASN A 715 1.376 3.551 10.652 1.00 23.50 C ATOM 1961 CG ASN A 715 1.031 2.064 10.691 1.00 60.33 C ATOM 1962 OD1 ASN A 715 -0.126 1.684 10.763 1.00 73.44 O ATOM 1963 ND2 ASN A 715 2.037 1.219 10.665 1.00 51.51 N ATOM 0 H ASN A 715 1.280 6.154 9.645 1.00 3.41 H new ATOM 0 HA ASN A 715 2.034 3.499 8.622 1.00 53.43 H new ATOM 0 HB2 ASN A 715 2.362 3.706 11.091 1.00 23.50 H new ATOM 0 HB3 ASN A 715 0.664 4.105 11.264 1.00 23.50 H new ATOM 0 HD21 ASN A 715 1.861 0.215 10.705 1.00 51.51 H new ATOM 0 HD22 ASN A 715 2.994 1.567 10.604 1.00 51.51 H new ATOM 1969 N PHE A 716 -0.218 3.043 7.824 1.00 42.35 N ATOM 1970 CA PHE A 716 -1.481 2.827 7.216 1.00 31.31 C ATOM 1971 C PHE A 716 -2.097 1.520 7.640 1.00 22.40 C ATOM 1972 O PHE A 716 -1.469 0.453 7.574 1.00 35.44 O ATOM 1973 CB PHE A 716 -1.398 2.986 5.702 1.00 13.44 C ATOM 1974 CG PHE A 716 -1.146 4.414 5.303 1.00 12.25 C ATOM 1975 CD1 PHE A 716 0.138 4.936 5.294 1.00 41.01 C ATOM 1976 CD2 PHE A 716 -2.200 5.243 4.962 1.00 13.43 C ATOM 1977 CE1 PHE A 716 0.364 6.253 4.946 1.00 3.24 C ATOM 1978 CE2 PHE A 716 -1.978 6.560 4.617 1.00 34.12 C ATOM 1979 CZ PHE A 716 -0.695 7.063 4.609 1.00 21.02 C ATOM 0 H PHE A 716 0.504 2.380 7.544 1.00 42.35 H new ATOM 0 HA PHE A 716 -2.160 3.601 7.574 1.00 31.31 H new ATOM 0 HB2 PHE A 716 -0.600 2.354 5.313 1.00 13.44 H new ATOM 0 HB3 PHE A 716 -2.327 2.641 5.249 1.00 13.44 H new ATOM 0 HD1 PHE A 716 0.972 4.305 5.563 1.00 41.01 H new ATOM 0 HD2 PHE A 716 -3.208 4.855 4.966 1.00 13.43 H new ATOM 0 HE1 PHE A 716 1.370 6.646 4.938 1.00 3.24 H new ATOM 0 HE2 PHE A 716 -2.809 7.197 4.353 1.00 34.12 H new ATOM 0 HZ PHE A 716 -0.521 8.094 4.338 1.00 21.02 H new ATOM 1989 N ARG A 717 -3.322 1.624 8.065 1.00 63.14 N ATOM 1990 CA ARG A 717 -4.097 0.535 8.569 1.00 61.54 C ATOM 1991 C ARG A 717 -4.902 -0.008 7.388 1.00 71.25 C ATOM 1992 O ARG A 717 -5.847 0.631 6.921 1.00 33.13 O ATOM 1993 CB ARG A 717 -5.046 1.102 9.642 1.00 20.52 C ATOM 1994 CG ARG A 717 -5.759 0.098 10.533 1.00 54.43 C ATOM 1995 CD ARG A 717 -4.792 -0.605 11.480 1.00 54.41 C ATOM 1996 NE ARG A 717 -5.503 -1.439 12.464 1.00 14.24 N ATOM 1997 CZ ARG A 717 -4.948 -1.977 13.569 1.00 1.12 C ATOM 1998 NH1 ARG A 717 -3.649 -1.809 13.829 1.00 65.32 N ATOM 1999 NH2 ARG A 717 -5.697 -2.684 14.411 1.00 20.13 N ATOM 0 H ARG A 717 -3.828 2.510 8.069 1.00 63.14 H new ATOM 0 HA ARG A 717 -3.486 -0.255 9.006 1.00 61.54 H new ATOM 0 HB2 ARG A 717 -4.472 1.774 10.280 1.00 20.52 H new ATOM 0 HB3 ARG A 717 -5.802 1.706 9.140 1.00 20.52 H new ATOM 0 HG2 ARG A 717 -6.529 0.608 11.112 1.00 54.43 H new ATOM 0 HG3 ARG A 717 -6.265 -0.643 9.914 1.00 54.43 H new ATOM 0 HD2 ARG A 717 -4.106 -1.226 10.904 1.00 54.41 H new ATOM 0 HD3 ARG A 717 -4.188 0.138 12.001 1.00 54.41 H new ATOM 0 HE ARG A 717 -6.492 -1.624 12.297 1.00 14.24 H new ATOM 0 HH11 ARG A 717 -3.066 -1.269 13.189 1.00 65.32 H new ATOM 0 HH12 ARG A 717 -3.239 -2.220 14.668 1.00 65.32 H new ATOM 0 HH21 ARG A 717 -6.690 -2.819 14.220 1.00 20.13 H new ATOM 0 HH22 ARG A 717 -5.278 -3.091 15.247 1.00 20.13 H new ATOM 2011 N TRP A 718 -4.483 -1.125 6.881 1.00 52.10 N ATOM 2012 CA TRP A 718 -5.072 -1.721 5.697 1.00 72.44 C ATOM 2013 C TRP A 718 -5.761 -3.024 6.097 1.00 5.24 C ATOM 2014 O TRP A 718 -5.159 -3.868 6.757 1.00 23.41 O ATOM 2015 CB TRP A 718 -3.927 -2.010 4.694 1.00 24.14 C ATOM 2016 CG TRP A 718 -4.316 -2.447 3.296 1.00 71.32 C ATOM 2017 CD1 TRP A 718 -5.101 -3.500 2.943 1.00 41.04 C ATOM 2018 CD2 TRP A 718 -3.862 -1.861 2.054 1.00 0.52 C ATOM 2019 NE1 TRP A 718 -5.191 -3.582 1.576 1.00 71.04 N ATOM 2020 CE2 TRP A 718 -4.447 -2.598 1.012 1.00 43.21 C ATOM 2021 CE3 TRP A 718 -3.032 -0.782 1.724 1.00 3.15 C ATOM 2022 CZ2 TRP A 718 -4.233 -2.300 -0.330 1.00 23.34 C ATOM 2023 CZ3 TRP A 718 -2.820 -0.488 0.390 1.00 34.02 C ATOM 2024 CH2 TRP A 718 -3.420 -1.245 -0.618 1.00 33.24 C ATOM 0 H TRP A 718 -3.712 -1.665 7.275 1.00 52.10 H new ATOM 0 HA TRP A 718 -5.806 -1.056 5.241 1.00 72.44 H new ATOM 0 HB2 TRP A 718 -3.320 -1.109 4.608 1.00 24.14 H new ATOM 0 HB3 TRP A 718 -3.291 -2.784 5.124 1.00 24.14 H new ATOM 0 HD1 TRP A 718 -5.583 -4.173 3.637 1.00 41.04 H new ATOM 0 HE1 TRP A 718 -5.734 -4.276 1.063 1.00 71.04 H new ATOM 0 HE3 TRP A 718 -2.566 -0.190 2.498 1.00 3.15 H new ATOM 0 HZ2 TRP A 718 -4.694 -2.883 -1.114 1.00 23.34 H new ATOM 0 HZ3 TRP A 718 -2.180 0.340 0.123 1.00 34.02 H new ATOM 0 HH2 TRP A 718 -3.235 -0.988 -1.651 1.00 33.24 H new ATOM 2035 N TYR A 719 -7.007 -3.167 5.736 1.00 63.24 N ATOM 2036 CA TYR A 719 -7.739 -4.392 6.001 1.00 33.20 C ATOM 2037 C TYR A 719 -8.040 -5.085 4.698 1.00 62.41 C ATOM 2038 O TYR A 719 -8.781 -4.568 3.879 1.00 1.32 O ATOM 2039 CB TYR A 719 -9.038 -4.122 6.771 1.00 75.23 C ATOM 2040 CG TYR A 719 -8.825 -3.507 8.132 1.00 23.40 C ATOM 2041 CD1 TYR A 719 -8.370 -4.276 9.188 1.00 43.11 C ATOM 2042 CD2 TYR A 719 -9.069 -2.162 8.357 1.00 20.43 C ATOM 2043 CE1 TYR A 719 -8.163 -3.727 10.433 1.00 63.41 C ATOM 2044 CE2 TYR A 719 -8.861 -1.603 9.599 1.00 55.52 C ATOM 2045 CZ TYR A 719 -8.409 -2.393 10.634 1.00 73.12 C ATOM 2046 OH TYR A 719 -8.190 -1.839 11.874 1.00 54.55 O ATOM 0 H TYR A 719 -7.547 -2.449 5.253 1.00 63.24 H new ATOM 0 HA TYR A 719 -7.118 -5.033 6.626 1.00 33.20 H new ATOM 0 HB2 TYR A 719 -9.669 -3.460 6.179 1.00 75.23 H new ATOM 0 HB3 TYR A 719 -9.581 -5.060 6.888 1.00 75.23 H new ATOM 0 HD1 TYR A 719 -8.174 -5.327 9.033 1.00 43.11 H new ATOM 0 HD2 TYR A 719 -9.427 -1.543 7.548 1.00 20.43 H new ATOM 0 HE1 TYR A 719 -7.809 -4.343 11.246 1.00 63.41 H new ATOM 0 HE2 TYR A 719 -9.051 -0.552 9.761 1.00 55.52 H new ATOM 0 HH TYR A 719 -8.411 -0.885 11.850 1.00 54.55 H new ATOM 2056 N THR A 720 -7.455 -6.229 4.502 1.00 43.24 N ATOM 2057 CA THR A 720 -7.614 -6.957 3.276 1.00 63.33 C ATOM 2058 C THR A 720 -7.908 -8.414 3.544 1.00 41.24 C ATOM 2059 O THR A 720 -7.360 -9.012 4.463 1.00 52.10 O ATOM 2060 CB THR A 720 -6.369 -6.822 2.359 1.00 24.03 C ATOM 2061 OG1 THR A 720 -6.518 -7.609 1.170 1.00 44.12 O ATOM 2062 CG2 THR A 720 -5.097 -7.218 3.063 1.00 40.52 C ATOM 0 H THR A 720 -6.853 -6.685 5.188 1.00 43.24 H new ATOM 0 HA THR A 720 -8.464 -6.519 2.754 1.00 63.33 H new ATOM 0 HB THR A 720 -6.296 -5.768 2.091 1.00 24.03 H new ATOM 0 HG1 THR A 720 -6.437 -7.031 0.383 1.00 44.12 H new ATOM 0 HG21 THR A 720 -4.254 -7.107 2.381 1.00 40.52 H new ATOM 0 HG22 THR A 720 -4.948 -6.577 3.932 1.00 40.52 H new ATOM 0 HG23 THR A 720 -5.168 -8.257 3.386 1.00 40.52 H new ATOM 2068 N SER A 721 -8.768 -8.977 2.734 1.00 14.54 N ATOM 2069 CA SER A 721 -9.143 -10.356 2.867 1.00 75.23 C ATOM 2070 C SER A 721 -7.976 -11.267 2.428 1.00 74.13 C ATOM 2071 O SER A 721 -7.832 -12.403 2.907 1.00 41.35 O ATOM 2072 CB SER A 721 -10.411 -10.631 2.045 1.00 61.24 C ATOM 2073 OG SER A 721 -10.897 -11.950 2.256 1.00 24.32 O ATOM 0 H SER A 721 -9.227 -8.490 1.964 1.00 14.54 H new ATOM 0 HA SER A 721 -9.362 -10.576 3.912 1.00 75.23 H new ATOM 0 HB2 SER A 721 -11.183 -9.911 2.315 1.00 61.24 H new ATOM 0 HB3 SER A 721 -10.197 -10.487 0.986 1.00 61.24 H new ATOM 0 HG SER A 721 -11.705 -12.091 1.719 1.00 24.32 H new ATOM 2079 N TYR A 722 -7.113 -10.731 1.554 1.00 73.52 N ATOM 2080 CA TYR A 722 -5.978 -11.479 1.011 1.00 64.51 C ATOM 2081 C TYR A 722 -4.913 -11.768 2.067 1.00 10.40 C ATOM 2082 O TYR A 722 -4.012 -12.583 1.844 1.00 33.20 O ATOM 2083 CB TYR A 722 -5.354 -10.753 -0.184 1.00 5.03 C ATOM 2084 CG TYR A 722 -6.250 -10.664 -1.401 1.00 14.14 C ATOM 2085 CD1 TYR A 722 -7.137 -9.610 -1.568 1.00 53.41 C ATOM 2086 CD2 TYR A 722 -6.197 -11.638 -2.391 1.00 42.22 C ATOM 2087 CE1 TYR A 722 -7.946 -9.529 -2.685 1.00 74.10 C ATOM 2088 CE2 TYR A 722 -6.998 -11.562 -3.510 1.00 52.11 C ATOM 2089 CZ TYR A 722 -7.873 -10.505 -3.654 1.00 51.32 C ATOM 2090 OH TYR A 722 -8.674 -10.423 -4.776 1.00 12.24 O ATOM 0 H TYR A 722 -7.183 -9.774 1.208 1.00 73.52 H new ATOM 0 HA TYR A 722 -6.374 -12.436 0.672 1.00 64.51 H new ATOM 0 HB2 TYR A 722 -5.078 -9.744 0.123 1.00 5.03 H new ATOM 0 HB3 TYR A 722 -4.433 -11.264 -0.463 1.00 5.03 H new ATOM 0 HD1 TYR A 722 -7.196 -8.840 -0.813 1.00 53.41 H new ATOM 0 HD2 TYR A 722 -5.516 -12.469 -2.282 1.00 42.22 H new ATOM 0 HE1 TYR A 722 -8.633 -8.703 -2.798 1.00 74.10 H new ATOM 0 HE2 TYR A 722 -6.941 -12.326 -4.271 1.00 52.11 H new ATOM 0 HH TYR A 722 -8.498 -11.190 -5.360 1.00 12.24 H new ATOM 2100 N ALA A 723 -5.023 -11.116 3.216 1.00 35.53 N ATOM 2101 CA ALA A 723 -4.082 -11.322 4.299 1.00 1.11 C ATOM 2102 C ALA A 723 -4.421 -12.597 5.106 1.00 63.03 C ATOM 2103 O ALA A 723 -3.762 -12.902 6.093 1.00 62.13 O ATOM 2104 CB ALA A 723 -4.015 -10.083 5.192 1.00 21.45 C ATOM 0 H ALA A 723 -5.758 -10.439 3.419 1.00 35.53 H new ATOM 0 HA ALA A 723 -3.092 -11.476 3.869 1.00 1.11 H new ATOM 0 HB1 ALA A 723 -3.304 -10.255 6.000 1.00 21.45 H new ATOM 0 HB2 ALA A 723 -3.693 -9.226 4.601 1.00 21.45 H new ATOM 0 HB3 ALA A 723 -5.001 -9.884 5.613 1.00 21.45 H new ATOM 2110 N CYS A 724 -5.445 -13.326 4.678 1.00 23.55 N ATOM 2111 CA CYS A 724 -5.793 -14.608 5.299 1.00 64.44 C ATOM 2112 C CYS A 724 -5.523 -15.754 4.349 1.00 72.34 C ATOM 2113 O CYS A 724 -5.834 -15.657 3.151 1.00 4.32 O ATOM 2114 CB CYS A 724 -7.265 -14.677 5.725 1.00 72.31 C ATOM 2115 SG CYS A 724 -7.727 -13.609 7.109 1.00 4.15 S ATOM 0 H CYS A 724 -6.052 -13.055 3.904 1.00 23.55 H new ATOM 0 HA CYS A 724 -5.168 -14.690 6.188 1.00 64.44 H new ATOM 0 HB2 CYS A 724 -7.886 -14.419 4.867 1.00 72.31 H new ATOM 0 HB3 CYS A 724 -7.500 -15.708 5.990 1.00 72.31 H new ATOM 2120 N PRO A 725 -4.910 -16.845 4.840 1.00 32.32 N ATOM 2121 CA PRO A 725 -4.726 -18.048 4.055 1.00 53.30 C ATOM 2122 C PRO A 725 -6.037 -18.835 3.996 1.00 4.21 C ATOM 2123 O PRO A 725 -6.801 -18.656 3.028 1.00 38.42 O ATOM 2124 CB PRO A 725 -3.647 -18.847 4.818 1.00 21.42 C ATOM 2125 CG PRO A 725 -3.237 -17.989 5.975 1.00 32.31 C ATOM 2126 CD PRO A 725 -4.335 -16.988 6.183 1.00 21.21 C ATOM 2127 OXT PRO A 725 -6.320 -19.603 4.940 1.00 38.42 O ATOM 0 HA PRO A 725 -4.432 -17.841 3.026 1.00 53.30 H new ATOM 0 HB2 PRO A 725 -4.041 -19.803 5.162 1.00 21.42 H new ATOM 0 HB3 PRO A 725 -2.795 -19.066 4.174 1.00 21.42 H new ATOM 0 HG2 PRO A 725 -3.089 -18.593 6.871 1.00 32.31 H new ATOM 0 HG3 PRO A 725 -2.291 -17.488 5.769 1.00 32.31 H new ATOM 0 HD2 PRO A 725 -5.073 -17.342 6.902 1.00 21.21 H new ATOM 0 HD3 PRO A 725 -3.951 -16.040 6.561 1.00 21.21 H new