USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 830 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 711 ASN : amide:sc= -1.38! C(o=-0.68!,f=-3.9!) USER MOD Set 1.2: A 715 ASN : amide:sc= 0.706 K(o=-0.68,f=-3.9) USER MOD Set 2.1: A 670 GLN : amide:sc= -0.0842 X(o=-0.019,f=-0.45) USER MOD Set 2.2: A 692 THR OG1 : rot -62:sc= 0.0652 USER MOD Set 3.1: A 646 SER OG : rot 170:sc= 1.02 USER MOD Set 3.2: A 648 SER OG : rot 15:sc= -1.01 USER MOD Single : A 587 THR OG1 : rot -155:sc= 0.0113 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 598 GLN : amide:sc= -0.896 K(o=-0.9,f=-10!) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= -2.51! USER MOD Single : A 609 THR OG1 : rot -47:sc= 1.21 USER MOD Single : A 610 LYS NZ :NH3+ -165:sc= -0.0525 (180deg=-0.36) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 21:sc= -0.676! USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -65:sc= 1.8 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= -1.71! C(o=-1.7!,f=-6.5!) USER MOD Single : A 626 ASN : amide:sc= 1.63 K(o=1.6,f=-8.1!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -40:sc= 0.913 USER MOD Single : A 644 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.84) USER MOD Single : A 651 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.1) USER MOD Single : A 652 SER OG : rot 177:sc= -0.302 USER MOD Single : A 654 ASN : amide:sc= 0.34 K(o=0.34,f=-7.9!) USER MOD Single : A 658 SER OG : rot 170:sc= -1.04 USER MOD Single : A 659 ASN : amide:sc= -3.66! C(o=-3.7!,f=-3.9!) USER MOD Single : A 661 LYS NZ :NH3+ -175:sc= 0.867 (180deg=0.74) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -169:sc= 1.28 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.877 USER MOD Single : A 679 TYR OH : rot 172:sc= -3.45! USER MOD Single : A 685 THR OG1 : rot 33:sc= 0.177 USER MOD Single : A 689 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 706 TYR OH : rot -157:sc= 1.67 USER MOD Single : A 707 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.91) USER MOD Single : A 712 SER OG : rot -26:sc= 0.36 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 TYR OH : rot 180:sc= 0.247 USER MOD Single : A 719 TYR OH : rot 180:sc= 0.13 USER MOD Single : A 720 THR OG1 : rot 97:sc= 0.394 USER MOD Single : A 721 SER OG : rot -150:sc= -1.75! USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -16.201 -7.868 -0.069 1.00 34.33 N ATOM 137 CA THR A 587 -16.654 -7.557 1.263 1.00 64.23 C ATOM 138 C THR A 587 -15.843 -6.373 1.782 1.00 22.11 C ATOM 139 O THR A 587 -14.646 -6.285 1.506 1.00 54.53 O ATOM 140 CB THR A 587 -16.581 -8.785 2.230 1.00 14.10 C ATOM 141 OG1 THR A 587 -17.242 -8.489 3.469 1.00 51.35 O ATOM 142 CG2 THR A 587 -15.161 -9.154 2.527 1.00 4.02 C ATOM 0 HA THR A 587 -17.710 -7.291 1.223 1.00 64.23 H new ATOM 0 HB THR A 587 -17.076 -9.619 1.733 1.00 14.10 H new ATOM 0 HG1 THR A 587 -16.876 -9.057 4.179 1.00 51.35 H new ATOM 0 HG21 THR A 587 -15.141 -10.010 3.201 1.00 4.02 H new ATOM 0 HG22 THR A 587 -14.650 -9.411 1.599 1.00 4.02 H new ATOM 0 HG23 THR A 587 -14.657 -8.310 2.997 1.00 4.02 H new ATOM 148 N GLU A 588 -16.491 -5.462 2.472 1.00 10.04 N ATOM 149 CA GLU A 588 -15.835 -4.279 2.983 1.00 15.51 C ATOM 150 C GLU A 588 -15.708 -4.369 4.503 1.00 2.44 C ATOM 151 O GLU A 588 -16.691 -4.654 5.213 1.00 12.40 O ATOM 152 CB GLU A 588 -16.637 -3.023 2.594 1.00 22.52 C ATOM 153 CG GLU A 588 -16.015 -1.702 3.035 1.00 24.21 C ATOM 154 CD GLU A 588 -16.910 -0.508 2.751 1.00 50.24 C ATOM 155 OE1 GLU A 588 -17.900 -0.326 3.489 1.00 44.10 O ATOM 156 OE2 GLU A 588 -16.652 0.261 1.790 1.00 32.33 O ATOM 0 H GLU A 588 -17.485 -5.519 2.695 1.00 10.04 H new ATOM 0 HA GLU A 588 -14.838 -4.210 2.548 1.00 15.51 H new ATOM 0 HB2 GLU A 588 -16.757 -3.008 1.511 1.00 22.52 H new ATOM 0 HB3 GLU A 588 -17.635 -3.099 3.025 1.00 22.52 H new ATOM 0 HG2 GLU A 588 -15.801 -1.745 4.103 1.00 24.21 H new ATOM 0 HG3 GLU A 588 -15.062 -1.566 2.524 1.00 24.21 H new ATOM 163 N GLY A 589 -14.520 -4.171 4.989 1.00 3.32 N ATOM 164 CA GLY A 589 -14.283 -4.133 6.403 1.00 1.13 C ATOM 165 C GLY A 589 -14.379 -2.714 6.877 1.00 62.11 C ATOM 166 O GLY A 589 -14.117 -1.803 6.108 1.00 32.50 O ATOM 0 H GLY A 589 -13.687 -4.031 4.418 1.00 3.32 H new ATOM 0 HA2 GLY A 589 -15.012 -4.754 6.924 1.00 1.13 H new ATOM 0 HA3 GLY A 589 -13.298 -4.540 6.630 1.00 1.13 H new ATOM 170 N ASP A 590 -14.756 -2.511 8.114 1.00 73.54 N ATOM 171 CA ASP A 590 -14.927 -1.155 8.628 1.00 14.20 C ATOM 172 C ASP A 590 -13.607 -0.601 9.102 1.00 73.35 C ATOM 173 O ASP A 590 -13.227 0.530 8.772 1.00 20.23 O ATOM 174 CB ASP A 590 -15.957 -1.109 9.749 1.00 74.45 C ATOM 175 CG ASP A 590 -16.194 0.299 10.225 1.00 52.04 C ATOM 176 OD1 ASP A 590 -16.767 1.089 9.471 1.00 71.21 O ATOM 177 OD2 ASP A 590 -15.801 0.654 11.336 1.00 23.33 O ATOM 0 H ASP A 590 -14.951 -3.252 8.787 1.00 73.54 H new ATOM 0 HA ASP A 590 -15.297 -0.534 7.812 1.00 14.20 H new ATOM 0 HB2 ASP A 590 -16.896 -1.539 9.399 1.00 74.45 H new ATOM 0 HB3 ASP A 590 -15.616 -1.723 10.583 1.00 74.45 H new ATOM 182 N ASN A 591 -12.924 -1.390 9.875 1.00 44.11 N ATOM 183 CA ASN A 591 -11.597 -1.075 10.330 1.00 4.31 C ATOM 184 C ASN A 591 -10.646 -1.919 9.531 1.00 41.44 C ATOM 185 O ASN A 591 -11.079 -2.580 8.581 1.00 4.22 O ATOM 186 CB ASN A 591 -11.433 -1.318 11.844 1.00 63.52 C ATOM 187 CG ASN A 591 -12.253 -0.351 12.690 1.00 12.32 C ATOM 188 OD1 ASN A 591 -11.783 0.736 13.055 1.00 33.23 O ATOM 189 ND2 ASN A 591 -13.451 -0.728 13.023 1.00 35.23 N ATOM 0 H ASN A 591 -13.275 -2.285 10.214 1.00 44.11 H new ATOM 0 HA ASN A 591 -11.390 -0.015 10.180 1.00 4.31 H new ATOM 0 HB2 ASN A 591 -11.731 -2.340 12.078 1.00 63.52 H new ATOM 0 HB3 ASN A 591 -10.380 -1.224 12.110 1.00 63.52 H new ATOM 0 HD21 ASN A 591 -14.034 -0.123 13.601 1.00 35.23 H new ATOM 0 HD22 ASN A 591 -13.809 -1.629 12.706 1.00 35.23 H new ATOM 195 N CYS A 592 -9.373 -1.946 9.892 1.00 42.02 N ATOM 196 CA CYS A 592 -8.394 -2.644 9.113 1.00 22.25 C ATOM 197 C CYS A 592 -8.469 -4.190 9.287 1.00 64.43 C ATOM 198 O CYS A 592 -7.445 -4.891 9.265 1.00 55.41 O ATOM 199 CB CYS A 592 -7.030 -2.136 9.494 1.00 42.32 C ATOM 200 SG CYS A 592 -5.839 -2.336 8.177 1.00 50.32 S ATOM 0 H CYS A 592 -9.004 -1.487 10.725 1.00 42.02 H new ATOM 0 HA CYS A 592 -8.597 -2.450 8.060 1.00 22.25 H new ATOM 0 HB2 CYS A 592 -7.099 -1.082 9.761 1.00 42.32 H new ATOM 0 HB3 CYS A 592 -6.681 -2.667 10.380 1.00 42.32 H new ATOM 205 N THR A 593 -9.662 -4.718 9.403 1.00 12.33 N ATOM 206 CA THR A 593 -9.856 -6.132 9.432 1.00 53.22 C ATOM 207 C THR A 593 -10.914 -6.485 8.390 1.00 74.42 C ATOM 208 O THR A 593 -11.850 -5.711 8.163 1.00 54.22 O ATOM 209 CB THR A 593 -10.308 -6.595 10.841 1.00 0.35 C ATOM 210 OG1 THR A 593 -11.462 -5.844 11.268 1.00 54.11 O ATOM 211 CG2 THR A 593 -9.194 -6.407 11.856 1.00 1.11 C ATOM 0 H THR A 593 -10.521 -4.173 9.479 1.00 12.33 H new ATOM 0 HA THR A 593 -8.919 -6.640 9.205 1.00 53.22 H new ATOM 0 HB THR A 593 -10.560 -7.654 10.778 1.00 0.35 H new ATOM 0 HG1 THR A 593 -11.738 -6.147 12.158 1.00 54.11 H new ATOM 0 HG21 THR A 593 -9.535 -6.739 12.837 1.00 1.11 H new ATOM 0 HG22 THR A 593 -8.326 -6.994 11.556 1.00 1.11 H new ATOM 0 HG23 THR A 593 -8.920 -5.353 11.905 1.00 1.11 H new ATOM 217 N VAL A 594 -10.758 -7.600 7.737 1.00 34.31 N ATOM 218 CA VAL A 594 -11.713 -8.023 6.750 1.00 34.11 C ATOM 219 C VAL A 594 -12.112 -9.478 6.980 1.00 33.22 C ATOM 220 O VAL A 594 -11.276 -10.301 7.388 1.00 50.01 O ATOM 221 CB VAL A 594 -11.184 -7.805 5.290 1.00 23.41 C ATOM 222 CG1 VAL A 594 -10.003 -8.704 4.948 1.00 64.31 C ATOM 223 CG2 VAL A 594 -12.291 -7.933 4.266 1.00 42.31 C ATOM 0 H VAL A 594 -9.973 -8.238 7.870 1.00 34.31 H new ATOM 0 HA VAL A 594 -12.600 -7.400 6.862 1.00 34.11 H new ATOM 0 HB VAL A 594 -10.815 -6.780 5.252 1.00 23.41 H new ATOM 0 HG11 VAL A 594 -9.681 -8.508 3.925 1.00 64.31 H new ATOM 0 HG12 VAL A 594 -9.180 -8.500 5.633 1.00 64.31 H new ATOM 0 HG13 VAL A 594 -10.302 -9.748 5.040 1.00 64.31 H new ATOM 0 HG21 VAL A 594 -11.883 -7.775 3.268 1.00 42.31 H new ATOM 0 HG22 VAL A 594 -12.729 -8.930 4.326 1.00 42.31 H new ATOM 0 HG23 VAL A 594 -13.060 -7.187 4.466 1.00 42.31 H new ATOM 229 N PHE A 595 -13.362 -9.782 6.805 1.00 62.04 N ATOM 230 CA PHE A 595 -13.802 -11.153 6.811 1.00 72.40 C ATOM 231 C PHE A 595 -14.699 -11.380 5.634 1.00 14.21 C ATOM 232 O PHE A 595 -15.649 -10.619 5.411 1.00 44.23 O ATOM 233 CB PHE A 595 -14.469 -11.592 8.133 1.00 61.15 C ATOM 234 CG PHE A 595 -14.996 -13.011 8.071 1.00 32.43 C ATOM 235 CD1 PHE A 595 -14.195 -14.032 7.587 1.00 21.11 C ATOM 236 CD2 PHE A 595 -16.285 -13.317 8.468 1.00 61.02 C ATOM 237 CE1 PHE A 595 -14.654 -15.320 7.495 1.00 32.23 C ATOM 238 CE2 PHE A 595 -16.756 -14.617 8.385 1.00 52.24 C ATOM 239 CZ PHE A 595 -15.937 -15.618 7.895 1.00 25.13 C ATOM 0 H PHE A 595 -14.103 -9.098 6.655 1.00 62.04 H new ATOM 0 HA PHE A 595 -12.916 -11.783 6.731 1.00 72.40 H new ATOM 0 HB2 PHE A 595 -13.747 -11.511 8.945 1.00 61.15 H new ATOM 0 HB3 PHE A 595 -15.289 -10.913 8.366 1.00 61.15 H new ATOM 0 HD1 PHE A 595 -13.186 -13.808 7.275 1.00 21.11 H new ATOM 0 HD2 PHE A 595 -16.929 -12.537 8.846 1.00 61.02 H new ATOM 0 HE1 PHE A 595 -14.012 -16.098 7.110 1.00 32.23 H new ATOM 0 HE2 PHE A 595 -17.762 -14.849 8.703 1.00 52.24 H new ATOM 0 HZ PHE A 595 -16.303 -16.632 7.826 1.00 25.13 H new ATOM 249 N ASP A 596 -14.407 -12.389 4.875 1.00 33.53 N ATOM 250 CA ASP A 596 -15.152 -12.665 3.702 1.00 34.23 C ATOM 251 C ASP A 596 -15.904 -13.975 3.839 1.00 53.34 C ATOM 252 O ASP A 596 -15.374 -14.979 4.318 1.00 11.12 O ATOM 253 CB ASP A 596 -14.233 -12.704 2.517 1.00 62.34 C ATOM 254 CG ASP A 596 -13.449 -13.936 2.386 1.00 20.14 C ATOM 255 OD1 ASP A 596 -12.653 -14.273 3.277 1.00 73.52 O ATOM 256 OD2 ASP A 596 -13.662 -14.595 1.400 1.00 31.31 O ATOM 0 H ASP A 596 -13.644 -13.041 5.057 1.00 33.53 H new ATOM 0 HA ASP A 596 -15.885 -11.872 3.556 1.00 34.23 H new ATOM 0 HB2 ASP A 596 -14.825 -12.569 1.612 1.00 62.34 H new ATOM 0 HB3 ASP A 596 -13.547 -11.859 2.579 1.00 62.34 H new ATOM 261 N SER A 597 -17.146 -13.949 3.478 1.00 22.41 N ATOM 262 CA SER A 597 -17.970 -15.116 3.524 1.00 23.13 C ATOM 263 C SER A 597 -17.600 -16.159 2.447 1.00 34.32 C ATOM 264 O SER A 597 -17.817 -17.357 2.638 1.00 35.12 O ATOM 265 CB SER A 597 -19.432 -14.703 3.452 1.00 71.51 C ATOM 266 OG SER A 597 -19.657 -13.827 2.346 1.00 11.23 O ATOM 0 H SER A 597 -17.622 -13.112 3.140 1.00 22.41 H new ATOM 0 HA SER A 597 -17.793 -15.620 4.474 1.00 23.13 H new ATOM 0 HB2 SER A 597 -20.060 -15.588 3.354 1.00 71.51 H new ATOM 0 HB3 SER A 597 -19.721 -14.208 4.379 1.00 71.51 H new ATOM 0 HG SER A 597 -20.603 -13.574 2.316 1.00 11.23 H new ATOM 272 N GLN A 598 -17.022 -15.703 1.333 1.00 34.51 N ATOM 273 CA GLN A 598 -16.741 -16.571 0.217 1.00 22.22 C ATOM 274 C GLN A 598 -15.553 -17.501 0.455 1.00 23.13 C ATOM 275 O GLN A 598 -15.605 -18.683 0.106 1.00 41.41 O ATOM 276 CB GLN A 598 -16.554 -15.800 -1.114 1.00 11.43 C ATOM 277 CG GLN A 598 -15.434 -14.749 -1.158 1.00 74.22 C ATOM 278 CD GLN A 598 -15.769 -13.399 -0.526 1.00 14.43 C ATOM 279 OE1 GLN A 598 -16.593 -13.279 0.381 1.00 15.23 O ATOM 280 NE2 GLN A 598 -15.123 -12.373 -0.999 1.00 33.12 N ATOM 0 H GLN A 598 -16.743 -14.732 1.192 1.00 34.51 H new ATOM 0 HA GLN A 598 -17.632 -17.193 0.127 1.00 22.22 H new ATOM 0 HB2 GLN A 598 -16.368 -16.528 -1.904 1.00 11.43 H new ATOM 0 HB3 GLN A 598 -17.494 -15.304 -1.353 1.00 11.43 H new ATOM 0 HG2 GLN A 598 -14.557 -15.157 -0.655 1.00 74.22 H new ATOM 0 HG3 GLN A 598 -15.156 -14.584 -2.199 1.00 74.22 H new ATOM 0 HE21 GLN A 598 -14.445 -12.499 -1.751 1.00 33.12 H new ATOM 0 HE22 GLN A 598 -15.294 -11.443 -0.618 1.00 33.12 H new ATOM 288 N ALA A 599 -14.490 -16.988 1.021 1.00 12.11 N ATOM 289 CA ALA A 599 -13.339 -17.801 1.304 1.00 41.13 C ATOM 290 C ALA A 599 -13.411 -18.295 2.713 1.00 62.54 C ATOM 291 O ALA A 599 -12.830 -19.333 3.062 1.00 43.02 O ATOM 292 CB ALA A 599 -12.079 -16.965 1.145 1.00 40.33 C ATOM 0 H ALA A 599 -14.400 -16.010 1.294 1.00 12.11 H new ATOM 0 HA ALA A 599 -13.317 -18.645 0.615 1.00 41.13 H new ATOM 0 HB1 ALA A 599 -11.205 -17.580 1.359 1.00 40.33 H new ATOM 0 HB2 ALA A 599 -12.017 -16.590 0.123 1.00 40.33 H new ATOM 0 HB3 ALA A 599 -12.110 -16.125 1.838 1.00 40.33 H new ATOM 298 N GLY A 600 -14.179 -17.584 3.511 1.00 11.40 N ATOM 299 CA GLY A 600 -14.341 -17.937 4.875 1.00 52.44 C ATOM 300 C GLY A 600 -13.067 -17.732 5.647 1.00 30.42 C ATOM 301 O GLY A 600 -12.715 -18.554 6.511 1.00 11.31 O ATOM 0 H GLY A 600 -14.698 -16.755 3.221 1.00 11.40 H new ATOM 0 HA2 GLY A 600 -15.137 -17.337 5.316 1.00 52.44 H new ATOM 0 HA3 GLY A 600 -14.650 -18.980 4.949 1.00 52.44 H new ATOM 305 N PHE A 601 -12.350 -16.659 5.345 1.00 40.30 N ATOM 306 CA PHE A 601 -11.118 -16.392 6.054 1.00 43.15 C ATOM 307 C PHE A 601 -11.119 -15.013 6.644 1.00 33.23 C ATOM 308 O PHE A 601 -11.535 -14.050 6.011 1.00 52.20 O ATOM 309 CB PHE A 601 -9.877 -16.571 5.181 1.00 11.31 C ATOM 310 CG PHE A 601 -9.629 -17.959 4.672 1.00 53.50 C ATOM 311 CD1 PHE A 601 -9.317 -18.988 5.540 1.00 23.21 C ATOM 312 CD2 PHE A 601 -9.681 -18.223 3.324 1.00 23.10 C ATOM 313 CE1 PHE A 601 -9.066 -20.259 5.064 1.00 30.50 C ATOM 314 CE2 PHE A 601 -9.434 -19.488 2.838 1.00 63.44 C ATOM 315 CZ PHE A 601 -9.126 -20.507 3.709 1.00 63.30 C ATOM 0 H PHE A 601 -12.597 -15.976 4.629 1.00 40.30 H new ATOM 0 HA PHE A 601 -11.070 -17.131 6.854 1.00 43.15 H new ATOM 0 HB2 PHE A 601 -9.958 -15.900 4.326 1.00 11.31 H new ATOM 0 HB3 PHE A 601 -9.005 -16.253 5.753 1.00 11.31 H new ATOM 0 HD1 PHE A 601 -9.269 -18.796 6.602 1.00 23.21 H new ATOM 0 HD2 PHE A 601 -9.919 -17.426 2.635 1.00 23.10 H new ATOM 0 HE1 PHE A 601 -8.823 -21.057 5.751 1.00 30.50 H new ATOM 0 HE2 PHE A 601 -9.482 -19.679 1.776 1.00 63.44 H new ATOM 0 HZ PHE A 601 -8.931 -21.500 3.332 1.00 63.30 H new ATOM 325 N SER A 602 -10.669 -14.911 7.854 1.00 4.54 N ATOM 326 CA SER A 602 -10.608 -13.653 8.493 1.00 61.12 C ATOM 327 C SER A 602 -9.186 -13.125 8.358 1.00 5.04 C ATOM 328 O SER A 602 -8.221 -13.817 8.688 1.00 3.31 O ATOM 329 CB SER A 602 -11.011 -13.826 9.965 1.00 64.15 C ATOM 330 OG SER A 602 -11.014 -12.595 10.676 1.00 42.35 O ATOM 0 H SER A 602 -10.338 -15.695 8.416 1.00 4.54 H new ATOM 0 HA SER A 602 -11.293 -12.937 8.038 1.00 61.12 H new ATOM 0 HB2 SER A 602 -12.003 -14.274 10.017 1.00 64.15 H new ATOM 0 HB3 SER A 602 -10.322 -14.519 10.448 1.00 64.15 H new ATOM 0 HG SER A 602 -11.278 -12.755 11.606 1.00 42.35 H new ATOM 336 N PHE A 603 -9.058 -11.914 7.906 1.00 15.24 N ATOM 337 CA PHE A 603 -7.771 -11.319 7.694 1.00 41.33 C ATOM 338 C PHE A 603 -7.680 -9.982 8.374 1.00 13.14 C ATOM 339 O PHE A 603 -8.532 -9.113 8.185 1.00 51.25 O ATOM 340 CB PHE A 603 -7.447 -11.189 6.191 1.00 62.14 C ATOM 341 CG PHE A 603 -7.155 -12.496 5.487 1.00 55.10 C ATOM 342 CD1 PHE A 603 -5.902 -13.057 5.597 1.00 1.53 C ATOM 343 CD2 PHE A 603 -8.108 -13.152 4.703 1.00 55.34 C ATOM 344 CE1 PHE A 603 -5.589 -14.233 4.957 1.00 53.44 C ATOM 345 CE2 PHE A 603 -7.783 -14.332 4.066 1.00 25.51 C ATOM 346 CZ PHE A 603 -6.528 -14.869 4.193 1.00 51.41 C ATOM 0 H PHE A 603 -9.845 -11.308 7.673 1.00 15.24 H new ATOM 0 HA PHE A 603 -7.027 -11.982 8.137 1.00 41.33 H new ATOM 0 HB2 PHE A 603 -8.287 -10.705 5.694 1.00 62.14 H new ATOM 0 HB3 PHE A 603 -6.586 -10.531 6.075 1.00 62.14 H new ATOM 0 HD1 PHE A 603 -5.151 -12.564 6.197 1.00 1.53 H new ATOM 0 HD2 PHE A 603 -9.099 -12.735 4.596 1.00 55.34 H new ATOM 0 HE1 PHE A 603 -4.600 -14.655 5.058 1.00 53.44 H new ATOM 0 HE2 PHE A 603 -8.523 -14.837 3.463 1.00 25.51 H new ATOM 0 HZ PHE A 603 -6.281 -15.793 3.691 1.00 51.41 H new ATOM 356 N ASP A 604 -6.672 -9.821 9.175 1.00 53.14 N ATOM 357 CA ASP A 604 -6.450 -8.583 9.876 1.00 2.34 C ATOM 358 C ASP A 604 -5.155 -7.969 9.418 1.00 24.21 C ATOM 359 O ASP A 604 -4.082 -8.536 9.587 1.00 51.11 O ATOM 360 CB ASP A 604 -6.495 -8.765 11.419 1.00 71.41 C ATOM 361 CG ASP A 604 -5.469 -9.737 11.975 1.00 73.12 C ATOM 362 OD1 ASP A 604 -5.648 -10.967 11.811 1.00 25.22 O ATOM 363 OD2 ASP A 604 -4.498 -9.300 12.623 1.00 0.21 O ATOM 0 H ASP A 604 -5.976 -10.542 9.365 1.00 53.14 H new ATOM 0 HA ASP A 604 -7.264 -7.900 9.634 1.00 2.34 H new ATOM 0 HB2 ASP A 604 -6.347 -7.793 11.890 1.00 71.41 H new ATOM 0 HB3 ASP A 604 -7.490 -9.108 11.702 1.00 71.41 H new ATOM 368 N LEU A 605 -5.263 -6.818 8.811 1.00 73.23 N ATOM 369 CA LEU A 605 -4.115 -6.126 8.283 1.00 54.00 C ATOM 370 C LEU A 605 -3.728 -4.975 9.194 1.00 51.02 C ATOM 371 O LEU A 605 -2.939 -4.117 8.842 1.00 44.45 O ATOM 372 CB LEU A 605 -4.351 -5.654 6.830 1.00 12.44 C ATOM 373 CG LEU A 605 -4.350 -6.733 5.699 1.00 32.23 C ATOM 374 CD1 LEU A 605 -2.992 -7.399 5.576 1.00 14.40 C ATOM 375 CD2 LEU A 605 -5.427 -7.794 5.884 1.00 43.20 C ATOM 0 H LEU A 605 -6.148 -6.332 8.668 1.00 73.23 H new ATOM 0 HA LEU A 605 -3.281 -6.827 8.251 1.00 54.00 H new ATOM 0 HB2 LEU A 605 -5.310 -5.138 6.798 1.00 12.44 H new ATOM 0 HB3 LEU A 605 -3.585 -4.917 6.589 1.00 12.44 H new ATOM 0 HG LEU A 605 -4.576 -6.196 4.778 1.00 32.23 H new ATOM 0 HD11 LEU A 605 -3.023 -8.144 4.781 1.00 14.40 H new ATOM 0 HD12 LEU A 605 -2.238 -6.648 5.340 1.00 14.40 H new ATOM 0 HD13 LEU A 605 -2.738 -7.884 6.519 1.00 14.40 H new ATOM 0 HD21 LEU A 605 -5.374 -8.513 5.067 1.00 43.20 H new ATOM 0 HD22 LEU A 605 -5.271 -8.309 6.832 1.00 43.20 H new ATOM 0 HD23 LEU A 605 -6.408 -7.320 5.886 1.00 43.20 H new ATOM 383 N THR A 606 -4.253 -5.023 10.386 1.00 63.35 N ATOM 384 CA THR A 606 -4.002 -4.044 11.419 1.00 54.43 C ATOM 385 C THR A 606 -2.479 -3.891 11.790 1.00 14.42 C ATOM 386 O THR A 606 -1.996 -2.759 11.914 1.00 1.41 O ATOM 387 CB THR A 606 -4.869 -4.345 12.667 1.00 31.32 C ATOM 388 OG1 THR A 606 -4.801 -5.735 12.978 1.00 13.12 O ATOM 389 CG2 THR A 606 -6.309 -3.977 12.429 1.00 4.44 C ATOM 0 H THR A 606 -4.888 -5.765 10.680 1.00 63.35 H new ATOM 0 HA THR A 606 -4.294 -3.076 11.011 1.00 54.43 H new ATOM 0 HB THR A 606 -4.481 -3.750 13.494 1.00 31.32 H new ATOM 0 HG1 THR A 606 -5.349 -5.920 13.769 1.00 13.12 H new ATOM 0 HG21 THR A 606 -6.894 -4.199 13.322 1.00 4.44 H new ATOM 0 HG22 THR A 606 -6.380 -2.913 12.204 1.00 4.44 H new ATOM 0 HG23 THR A 606 -6.697 -4.552 11.588 1.00 4.44 H new ATOM 395 N PRO A 607 -1.680 -5.018 11.955 1.00 4.34 N ATOM 396 CA PRO A 607 -0.235 -4.927 12.258 1.00 75.33 C ATOM 397 C PRO A 607 0.538 -4.249 11.132 1.00 61.44 C ATOM 398 O PRO A 607 1.659 -3.793 11.313 1.00 14.34 O ATOM 399 CB PRO A 607 0.210 -6.393 12.390 1.00 31.52 C ATOM 400 CG PRO A 607 -1.039 -7.145 12.662 1.00 75.31 C ATOM 401 CD PRO A 607 -2.106 -6.440 11.891 1.00 73.21 C ATOM 0 HA PRO A 607 -0.047 -4.332 13.152 1.00 75.33 H new ATOM 0 HB2 PRO A 607 0.692 -6.744 11.478 1.00 31.52 H new ATOM 0 HB3 PRO A 607 0.930 -6.517 13.199 1.00 31.52 H new ATOM 0 HG2 PRO A 607 -0.948 -8.184 12.346 1.00 75.31 H new ATOM 0 HG3 PRO A 607 -1.267 -7.155 13.728 1.00 75.31 H new ATOM 0 HD2 PRO A 607 -2.165 -6.798 10.863 1.00 73.21 H new ATOM 0 HD3 PRO A 607 -3.090 -6.587 12.336 1.00 73.21 H new ATOM 409 N LEU A 608 -0.071 -4.206 9.979 1.00 12.32 N ATOM 410 CA LEU A 608 0.530 -3.680 8.776 1.00 0.52 C ATOM 411 C LEU A 608 0.514 -2.138 8.733 1.00 20.01 C ATOM 412 O LEU A 608 1.142 -1.539 7.870 1.00 33.52 O ATOM 413 CB LEU A 608 -0.170 -4.269 7.527 1.00 54.40 C ATOM 414 CG LEU A 608 0.028 -5.777 7.216 1.00 5.52 C ATOM 415 CD1 LEU A 608 1.472 -6.082 7.011 1.00 22.24 C ATOM 416 CD2 LEU A 608 -0.539 -6.672 8.299 1.00 45.13 C ATOM 0 H LEU A 608 -1.024 -4.544 9.843 1.00 12.32 H new ATOM 0 HA LEU A 608 1.577 -3.984 8.778 1.00 0.52 H new ATOM 0 HB2 LEU A 608 -1.240 -4.088 7.629 1.00 54.40 H new ATOM 0 HB3 LEU A 608 0.168 -3.703 6.659 1.00 54.40 H new ATOM 0 HG LEU A 608 -0.523 -5.985 6.299 1.00 5.52 H new ATOM 0 HD11 LEU A 608 1.592 -7.143 6.794 1.00 22.24 H new ATOM 0 HD12 LEU A 608 1.853 -5.495 6.175 1.00 22.24 H new ATOM 0 HD13 LEU A 608 2.029 -5.831 7.914 1.00 22.24 H new ATOM 0 HD21 LEU A 608 -0.374 -7.716 8.032 1.00 45.13 H new ATOM 0 HD22 LEU A 608 -0.043 -6.457 9.245 1.00 45.13 H new ATOM 0 HD23 LEU A 608 -1.609 -6.488 8.400 1.00 45.13 H new ATOM 424 N THR A 609 -0.195 -1.518 9.651 1.00 1.53 N ATOM 425 CA THR A 609 -0.285 -0.056 9.714 1.00 14.42 C ATOM 426 C THR A 609 1.009 0.545 10.299 1.00 44.55 C ATOM 427 O THR A 609 1.490 0.118 11.361 1.00 63.42 O ATOM 428 CB THR A 609 -1.496 0.357 10.597 1.00 43.44 C ATOM 429 OG1 THR A 609 -2.687 -0.325 10.150 1.00 5.50 O ATOM 430 CG2 THR A 609 -1.738 1.857 10.535 1.00 14.20 C ATOM 0 H THR A 609 -0.727 -2.000 10.376 1.00 1.53 H new ATOM 0 HA THR A 609 -0.421 0.326 8.702 1.00 14.42 H new ATOM 0 HB THR A 609 -1.266 0.079 11.626 1.00 43.44 H new ATOM 0 HG1 THR A 609 -2.761 -0.250 9.176 1.00 5.50 H new ATOM 0 HG21 THR A 609 -2.591 2.114 11.163 1.00 14.20 H new ATOM 0 HG22 THR A 609 -0.853 2.383 10.892 1.00 14.20 H new ATOM 0 HG23 THR A 609 -1.944 2.150 9.505 1.00 14.20 H new ATOM 436 N LYS A 610 1.562 1.534 9.610 1.00 45.05 N ATOM 437 CA LYS A 610 2.761 2.201 10.058 1.00 52.12 C ATOM 438 C LYS A 610 2.601 3.705 10.036 1.00 34.44 C ATOM 439 O LYS A 610 1.983 4.255 9.138 1.00 40.12 O ATOM 440 CB LYS A 610 3.972 1.831 9.205 1.00 5.42 C ATOM 441 CG LYS A 610 4.381 0.387 9.276 1.00 4.15 C ATOM 442 CD LYS A 610 5.734 0.166 8.634 1.00 65.44 C ATOM 443 CE LYS A 610 6.166 -1.291 8.728 1.00 45.03 C ATOM 444 NZ LYS A 610 6.208 -1.771 10.125 1.00 45.50 N ATOM 0 H LYS A 610 1.189 1.890 8.730 1.00 45.05 H new ATOM 0 HA LYS A 610 2.927 1.865 11.082 1.00 52.12 H new ATOM 0 HB2 LYS A 610 3.756 2.081 8.166 1.00 5.42 H new ATOM 0 HB3 LYS A 610 4.816 2.448 9.513 1.00 5.42 H new ATOM 0 HG2 LYS A 610 4.414 0.067 10.317 1.00 4.15 H new ATOM 0 HG3 LYS A 610 3.634 -0.230 8.776 1.00 4.15 H new ATOM 0 HD2 LYS A 610 5.695 0.468 7.587 1.00 65.44 H new ATOM 0 HD3 LYS A 610 6.476 0.799 9.121 1.00 65.44 H new ATOM 0 HE2 LYS A 610 5.477 -1.910 8.153 1.00 45.03 H new ATOM 0 HE3 LYS A 610 7.151 -1.406 8.276 1.00 45.03 H new ATOM 0 HZ1 LYS A 610 6.739 -2.664 10.169 1.00 45.50 H new ATOM 0 HZ2 LYS A 610 6.675 -1.060 10.723 1.00 45.50 H new ATOM 0 HZ3 LYS A 610 5.239 -1.928 10.468 1.00 45.50 H new ATOM 458 N LYS A 611 3.179 4.359 11.017 1.00 3.41 N ATOM 459 CA LYS A 611 3.166 5.815 11.099 1.00 43.31 C ATOM 460 C LYS A 611 4.067 6.376 10.038 1.00 13.22 C ATOM 461 O LYS A 611 3.733 7.327 9.341 1.00 63.14 O ATOM 462 CB LYS A 611 3.707 6.240 12.439 1.00 53.25 C ATOM 463 CG LYS A 611 3.661 7.746 12.681 1.00 4.34 C ATOM 464 CD LYS A 611 4.183 8.108 14.057 1.00 50.10 C ATOM 465 CE LYS A 611 3.299 7.530 15.144 1.00 12.45 C ATOM 466 NZ LYS A 611 3.796 7.848 16.493 1.00 31.51 N ATOM 0 H LYS A 611 3.673 3.904 11.784 1.00 3.41 H new ATOM 0 HA LYS A 611 2.146 6.176 10.966 1.00 43.31 H new ATOM 0 HB2 LYS A 611 3.139 5.739 13.223 1.00 53.25 H new ATOM 0 HB3 LYS A 611 4.739 5.900 12.526 1.00 53.25 H new ATOM 0 HG2 LYS A 611 4.254 8.255 11.921 1.00 4.34 H new ATOM 0 HG3 LYS A 611 2.636 8.101 12.576 1.00 4.34 H new ATOM 0 HD2 LYS A 611 5.200 7.734 14.174 1.00 50.10 H new ATOM 0 HD3 LYS A 611 4.228 9.192 14.159 1.00 50.10 H new ATOM 0 HE2 LYS A 611 2.287 7.918 15.031 1.00 12.45 H new ATOM 0 HE3 LYS A 611 3.241 6.448 15.026 1.00 12.45 H new ATOM 0 HZ1 LYS A 611 3.161 7.433 17.204 1.00 31.51 H new ATOM 0 HZ2 LYS A 611 4.752 7.456 16.612 1.00 31.51 H new ATOM 0 HZ3 LYS A 611 3.827 8.880 16.617 1.00 31.51 H new ATOM 480 N ASP A 612 5.208 5.734 9.926 1.00 10.24 N ATOM 481 CA ASP A 612 6.265 6.099 8.987 1.00 34.31 C ATOM 482 C ASP A 612 5.837 5.842 7.573 1.00 3.32 C ATOM 483 O ASP A 612 6.433 6.372 6.623 1.00 71.23 O ATOM 484 CB ASP A 612 7.535 5.306 9.280 1.00 13.10 C ATOM 485 CG ASP A 612 8.193 5.649 10.588 1.00 42.13 C ATOM 486 OD1 ASP A 612 8.755 6.761 10.716 1.00 22.44 O ATOM 487 OD2 ASP A 612 8.200 4.794 11.501 1.00 73.13 O ATOM 0 H ASP A 612 5.440 4.921 10.497 1.00 10.24 H new ATOM 0 HA ASP A 612 6.465 7.164 9.109 1.00 34.31 H new ATOM 0 HB2 ASP A 612 7.294 4.243 9.276 1.00 13.10 H new ATOM 0 HB3 ASP A 612 8.248 5.474 8.473 1.00 13.10 H new ATOM 492 N ALA A 613 4.807 5.010 7.445 1.00 75.04 N ATOM 493 CA ALA A 613 4.208 4.644 6.184 1.00 23.25 C ATOM 494 C ALA A 613 5.143 3.842 5.307 1.00 43.34 C ATOM 495 O ALA A 613 6.279 3.526 5.681 1.00 13.03 O ATOM 496 CB ALA A 613 3.708 5.863 5.448 1.00 23.21 C ATOM 0 H ALA A 613 4.359 4.563 8.245 1.00 75.04 H new ATOM 0 HA ALA A 613 3.359 4.002 6.418 1.00 23.25 H new ATOM 0 HB1 ALA A 613 3.261 5.559 4.501 1.00 23.21 H new ATOM 0 HB2 ALA A 613 2.960 6.373 6.055 1.00 23.21 H new ATOM 0 HB3 ALA A 613 4.541 6.539 5.255 1.00 23.21 H new ATOM 502 N TYR A 614 4.652 3.487 4.174 1.00 5.53 N ATOM 503 CA TYR A 614 5.387 2.753 3.207 1.00 75.43 C ATOM 504 C TYR A 614 5.578 3.623 1.976 1.00 42.01 C ATOM 505 O TYR A 614 4.595 4.112 1.410 1.00 31.33 O ATOM 506 CB TYR A 614 4.600 1.500 2.834 1.00 53.34 C ATOM 507 CG TYR A 614 4.371 0.504 3.970 1.00 12.21 C ATOM 508 CD1 TYR A 614 3.413 0.730 4.971 1.00 73.23 C ATOM 509 CD2 TYR A 614 5.106 -0.672 4.032 1.00 30.55 C ATOM 510 CE1 TYR A 614 3.215 -0.171 5.964 1.00 14.13 C ATOM 511 CE2 TYR A 614 4.902 -1.588 5.035 1.00 43.44 C ATOM 512 CZ TYR A 614 3.950 -1.328 6.001 1.00 20.24 C ATOM 513 OH TYR A 614 3.732 -2.220 7.009 1.00 72.42 O ATOM 0 H TYR A 614 3.699 3.706 3.885 1.00 5.53 H new ATOM 0 HA TYR A 614 6.359 2.465 3.607 1.00 75.43 H new ATOM 0 HB2 TYR A 614 3.630 1.805 2.441 1.00 53.34 H new ATOM 0 HB3 TYR A 614 5.125 0.989 2.027 1.00 53.34 H new ATOM 0 HD1 TYR A 614 2.825 1.636 4.949 1.00 73.23 H new ATOM 0 HD2 TYR A 614 5.852 -0.870 3.277 1.00 30.55 H new ATOM 0 HE1 TYR A 614 2.477 0.023 6.728 1.00 14.13 H new ATOM 0 HE2 TYR A 614 5.479 -2.500 5.068 1.00 43.44 H new ATOM 0 HH TYR A 614 2.842 -2.071 7.391 1.00 72.42 H new ATOM 523 N LYS A 615 6.817 3.852 1.577 1.00 20.13 N ATOM 524 CA LYS A 615 7.069 4.631 0.381 1.00 11.21 C ATOM 525 C LYS A 615 7.487 3.725 -0.758 1.00 30.02 C ATOM 526 O LYS A 615 8.382 2.890 -0.609 1.00 64.44 O ATOM 527 CB LYS A 615 8.167 5.705 0.568 1.00 33.42 C ATOM 528 CG LYS A 615 8.402 6.531 -0.703 1.00 10.25 C ATOM 529 CD LYS A 615 9.787 7.208 -0.721 1.00 22.22 C ATOM 530 CE LYS A 615 10.053 8.131 0.449 1.00 2.42 C ATOM 531 NZ LYS A 615 11.397 8.756 0.381 1.00 25.51 N ATOM 0 H LYS A 615 7.652 3.515 2.056 1.00 20.13 H new ATOM 0 HA LYS A 615 6.132 5.141 0.157 1.00 11.21 H new ATOM 0 HB2 LYS A 615 7.884 6.371 1.383 1.00 33.42 H new ATOM 0 HB3 LYS A 615 9.099 5.221 0.860 1.00 33.42 H new ATOM 0 HG2 LYS A 615 8.306 5.884 -1.575 1.00 10.25 H new ATOM 0 HG3 LYS A 615 7.628 7.294 -0.785 1.00 10.25 H new ATOM 0 HD2 LYS A 615 10.555 6.434 -0.738 1.00 22.22 H new ATOM 0 HD3 LYS A 615 9.887 7.777 -1.645 1.00 22.22 H new ATOM 0 HE2 LYS A 615 9.293 8.912 0.473 1.00 2.42 H new ATOM 0 HE3 LYS A 615 9.963 7.570 1.379 1.00 2.42 H new ATOM 0 HZ1 LYS A 615 11.532 9.379 1.203 1.00 25.51 H new ATOM 0 HZ2 LYS A 615 12.126 8.014 0.385 1.00 25.51 H new ATOM 0 HZ3 LYS A 615 11.476 9.314 -0.493 1.00 25.51 H new ATOM 545 N VAL A 616 6.835 3.882 -1.858 1.00 65.52 N ATOM 546 CA VAL A 616 7.185 3.210 -3.077 1.00 43.53 C ATOM 547 C VAL A 616 7.836 4.262 -3.961 1.00 40.20 C ATOM 548 O VAL A 616 7.405 5.412 -3.954 1.00 24.52 O ATOM 549 CB VAL A 616 5.934 2.661 -3.790 1.00 50.44 C ATOM 550 CG1 VAL A 616 6.318 1.854 -5.017 1.00 70.52 C ATOM 551 CG2 VAL A 616 5.080 1.834 -2.844 1.00 72.21 C ATOM 0 H VAL A 616 6.024 4.494 -1.945 1.00 65.52 H new ATOM 0 HA VAL A 616 7.844 2.366 -2.873 1.00 43.53 H new ATOM 0 HB VAL A 616 5.339 3.513 -4.118 1.00 50.44 H new ATOM 0 HG11 VAL A 616 5.417 1.478 -5.502 1.00 70.52 H new ATOM 0 HG12 VAL A 616 6.867 2.489 -5.713 1.00 70.52 H new ATOM 0 HG13 VAL A 616 6.947 1.015 -4.719 1.00 70.52 H new ATOM 0 HG21 VAL A 616 4.205 1.461 -3.376 1.00 72.21 H new ATOM 0 HG22 VAL A 616 5.663 0.993 -2.469 1.00 72.21 H new ATOM 0 HG23 VAL A 616 4.759 2.454 -2.007 1.00 72.21 H new ATOM 557 N GLU A 617 8.848 3.905 -4.690 1.00 52.05 N ATOM 558 CA GLU A 617 9.563 4.878 -5.486 1.00 44.51 C ATOM 559 C GLU A 617 9.565 4.532 -6.952 1.00 23.42 C ATOM 560 O GLU A 617 9.638 3.366 -7.328 1.00 53.55 O ATOM 561 CB GLU A 617 10.994 5.008 -4.986 1.00 61.54 C ATOM 562 CG GLU A 617 11.095 5.518 -3.568 1.00 40.04 C ATOM 563 CD GLU A 617 12.502 5.555 -3.075 1.00 54.14 C ATOM 564 OE1 GLU A 617 13.243 6.485 -3.430 1.00 74.34 O ATOM 565 OE2 GLU A 617 12.892 4.656 -2.318 1.00 34.20 O ATOM 0 H GLU A 617 9.204 2.951 -4.756 1.00 52.05 H new ATOM 0 HA GLU A 617 9.042 5.829 -5.376 1.00 44.51 H new ATOM 0 HB2 GLU A 617 11.482 4.035 -5.049 1.00 61.54 H new ATOM 0 HB3 GLU A 617 11.541 5.682 -5.645 1.00 61.54 H new ATOM 0 HG2 GLU A 617 10.668 6.519 -3.514 1.00 40.04 H new ATOM 0 HG3 GLU A 617 10.500 4.882 -2.913 1.00 40.04 H new ATOM 572 N THR A 618 9.458 5.542 -7.771 1.00 41.33 N ATOM 573 CA THR A 618 9.582 5.395 -9.191 1.00 4.01 C ATOM 574 C THR A 618 10.690 6.354 -9.589 1.00 34.05 C ATOM 575 O THR A 618 11.415 6.840 -8.705 1.00 0.24 O ATOM 576 CB THR A 618 8.256 5.761 -9.938 1.00 72.12 C ATOM 577 OG1 THR A 618 7.954 7.143 -9.767 1.00 61.52 O ATOM 578 CG2 THR A 618 7.088 4.950 -9.398 1.00 62.40 C ATOM 0 H THR A 618 9.280 6.499 -7.466 1.00 41.33 H new ATOM 0 HA THR A 618 9.800 4.361 -9.460 1.00 4.01 H new ATOM 0 HB THR A 618 8.403 5.536 -10.994 1.00 72.12 H new ATOM 0 HG1 THR A 618 7.760 7.321 -8.823 1.00 61.52 H new ATOM 0 HG21 THR A 618 6.178 5.222 -9.933 1.00 62.40 H new ATOM 0 HG22 THR A 618 7.287 3.888 -9.538 1.00 62.40 H new ATOM 0 HG23 THR A 618 6.961 5.158 -8.336 1.00 62.40 H new ATOM 584 N ASP A 619 10.835 6.652 -10.861 1.00 74.11 N ATOM 585 CA ASP A 619 11.879 7.589 -11.285 1.00 1.24 C ATOM 586 C ASP A 619 11.679 8.965 -10.687 1.00 52.42 C ATOM 587 O ASP A 619 12.613 9.556 -10.132 1.00 22.22 O ATOM 588 CB ASP A 619 11.981 7.718 -12.804 1.00 34.10 C ATOM 589 CG ASP A 619 12.462 6.473 -13.487 1.00 71.24 C ATOM 590 OD1 ASP A 619 13.683 6.226 -13.496 1.00 73.42 O ATOM 591 OD2 ASP A 619 11.630 5.725 -14.047 1.00 72.23 O ATOM 0 H ASP A 619 10.261 6.274 -11.615 1.00 74.11 H new ATOM 0 HA ASP A 619 12.812 7.164 -10.914 1.00 1.24 H new ATOM 0 HB2 ASP A 619 11.002 7.985 -13.203 1.00 34.10 H new ATOM 0 HB3 ASP A 619 12.658 8.538 -13.045 1.00 34.10 H new ATOM 596 N LYS A 620 10.473 9.481 -10.778 1.00 74.54 N ATOM 597 CA LYS A 620 10.234 10.844 -10.330 1.00 32.21 C ATOM 598 C LYS A 620 9.096 10.966 -9.338 1.00 1.25 C ATOM 599 O LYS A 620 8.857 12.038 -8.799 1.00 13.33 O ATOM 600 CB LYS A 620 10.000 11.756 -11.527 1.00 51.44 C ATOM 601 CG LYS A 620 11.179 11.847 -12.490 1.00 65.00 C ATOM 602 CD LYS A 620 10.845 12.690 -13.709 1.00 73.04 C ATOM 603 CE LYS A 620 9.733 12.063 -14.543 1.00 74.21 C ATOM 604 NZ LYS A 620 9.402 12.879 -15.721 1.00 14.12 N ATOM 0 H LYS A 620 9.657 8.995 -11.149 1.00 74.54 H new ATOM 0 HA LYS A 620 11.132 11.157 -9.798 1.00 32.21 H new ATOM 0 HB2 LYS A 620 9.127 11.401 -12.074 1.00 51.44 H new ATOM 0 HB3 LYS A 620 9.764 12.757 -11.165 1.00 51.44 H new ATOM 0 HG2 LYS A 620 12.038 12.277 -11.974 1.00 65.00 H new ATOM 0 HG3 LYS A 620 11.467 10.845 -12.808 1.00 65.00 H new ATOM 0 HD2 LYS A 620 10.542 13.687 -13.390 1.00 73.04 H new ATOM 0 HD3 LYS A 620 11.737 12.810 -14.324 1.00 73.04 H new ATOM 0 HE2 LYS A 620 10.039 11.068 -14.866 1.00 74.21 H new ATOM 0 HE3 LYS A 620 8.843 11.939 -13.926 1.00 74.21 H new ATOM 0 HZ1 LYS A 620 8.642 12.418 -16.261 1.00 14.12 H new ATOM 0 HZ2 LYS A 620 9.086 13.821 -15.413 1.00 14.12 H new ATOM 0 HZ3 LYS A 620 10.244 12.977 -16.323 1.00 14.12 H new ATOM 618 N TYR A 621 8.399 9.914 -9.092 1.00 25.22 N ATOM 619 CA TYR A 621 7.296 9.975 -8.159 1.00 14.13 C ATOM 620 C TYR A 621 7.463 8.957 -7.064 1.00 53.25 C ATOM 621 O TYR A 621 7.954 7.855 -7.292 1.00 62.31 O ATOM 622 CB TYR A 621 5.939 9.812 -8.889 1.00 5.05 C ATOM 623 CG TYR A 621 5.562 11.004 -9.775 1.00 13.11 C ATOM 624 CD1 TYR A 621 6.386 11.415 -10.812 1.00 34.30 C ATOM 625 CD2 TYR A 621 4.400 11.723 -9.552 1.00 32.21 C ATOM 626 CE1 TYR A 621 6.080 12.495 -11.600 1.00 20.11 C ATOM 627 CE2 TYR A 621 4.072 12.811 -10.342 1.00 12.54 C ATOM 628 CZ TYR A 621 4.918 13.195 -11.364 1.00 34.21 C ATOM 629 OH TYR A 621 4.589 14.273 -12.161 1.00 4.41 O ATOM 0 H TYR A 621 8.560 8.999 -9.513 1.00 25.22 H new ATOM 0 HA TYR A 621 7.298 10.961 -7.694 1.00 14.13 H new ATOM 0 HB2 TYR A 621 5.974 8.912 -9.503 1.00 5.05 H new ATOM 0 HB3 TYR A 621 5.155 9.661 -8.147 1.00 5.05 H new ATOM 0 HD1 TYR A 621 7.297 10.868 -11.005 1.00 34.30 H new ATOM 0 HD2 TYR A 621 3.739 11.430 -8.749 1.00 32.21 H new ATOM 0 HE1 TYR A 621 6.744 12.793 -12.398 1.00 20.11 H new ATOM 0 HE2 TYR A 621 3.158 13.357 -10.160 1.00 12.54 H new ATOM 0 HH TYR A 621 3.738 14.654 -11.861 1.00 4.41 H new ATOM 639 N GLU A 622 7.105 9.324 -5.898 1.00 73.22 N ATOM 640 CA GLU A 622 7.158 8.436 -4.791 1.00 72.20 C ATOM 641 C GLU A 622 5.775 8.369 -4.207 1.00 4.51 C ATOM 642 O GLU A 622 5.034 9.367 -4.207 1.00 4.43 O ATOM 643 CB GLU A 622 8.178 8.901 -3.749 1.00 25.50 C ATOM 644 CG GLU A 622 7.830 10.219 -3.130 1.00 72.20 C ATOM 645 CD GLU A 622 8.865 10.729 -2.168 1.00 24.20 C ATOM 646 OE1 GLU A 622 9.808 11.391 -2.602 1.00 14.42 O ATOM 647 OE2 GLU A 622 8.735 10.468 -0.950 1.00 2.43 O ATOM 0 H GLU A 622 6.762 10.258 -5.674 1.00 73.22 H new ATOM 0 HA GLU A 622 7.483 7.447 -5.115 1.00 72.20 H new ATOM 0 HB2 GLU A 622 8.256 8.148 -2.965 1.00 25.50 H new ATOM 0 HB3 GLU A 622 9.159 8.975 -4.218 1.00 25.50 H new ATOM 0 HG2 GLU A 622 7.689 10.955 -3.921 1.00 72.20 H new ATOM 0 HG3 GLU A 622 6.878 10.125 -2.608 1.00 72.20 H new ATOM 654 N PHE A 623 5.409 7.239 -3.758 1.00 33.22 N ATOM 655 CA PHE A 623 4.097 7.055 -3.245 1.00 12.42 C ATOM 656 C PHE A 623 4.175 6.638 -1.804 1.00 23.43 C ATOM 657 O PHE A 623 4.864 5.689 -1.474 1.00 2.43 O ATOM 658 CB PHE A 623 3.352 5.977 -4.047 1.00 61.21 C ATOM 659 CG PHE A 623 3.234 6.242 -5.532 1.00 30.02 C ATOM 660 CD1 PHE A 623 4.299 5.984 -6.382 1.00 74.53 C ATOM 661 CD2 PHE A 623 2.060 6.726 -6.078 1.00 30.34 C ATOM 662 CE1 PHE A 623 4.196 6.213 -7.730 1.00 40.44 C ATOM 663 CE2 PHE A 623 1.956 6.957 -7.433 1.00 23.43 C ATOM 664 CZ PHE A 623 3.027 6.699 -8.258 1.00 44.22 C ATOM 0 H PHE A 623 6.001 6.409 -3.731 1.00 33.22 H new ATOM 0 HA PHE A 623 3.554 7.996 -3.329 1.00 12.42 H new ATOM 0 HB2 PHE A 623 3.862 5.024 -3.904 1.00 61.21 H new ATOM 0 HB3 PHE A 623 2.349 5.868 -3.633 1.00 61.21 H new ATOM 0 HD1 PHE A 623 5.222 5.597 -5.977 1.00 74.53 H new ATOM 0 HD2 PHE A 623 1.215 6.925 -5.436 1.00 30.34 H new ATOM 0 HE1 PHE A 623 5.037 6.010 -8.377 1.00 40.44 H new ATOM 0 HE2 PHE A 623 1.035 7.340 -7.847 1.00 23.43 H new ATOM 0 HZ PHE A 623 2.947 6.879 -9.320 1.00 44.22 H new ATOM 674 N HIS A 624 3.510 7.345 -0.952 1.00 2.11 N ATOM 675 CA HIS A 624 3.434 6.963 0.431 1.00 31.10 C ATOM 676 C HIS A 624 2.066 6.477 0.709 1.00 32.10 C ATOM 677 O HIS A 624 1.090 7.187 0.479 1.00 35.02 O ATOM 678 CB HIS A 624 3.724 8.128 1.369 1.00 31.33 C ATOM 679 CG HIS A 624 5.085 8.672 1.267 1.00 20.23 C ATOM 680 ND1 HIS A 624 6.119 8.220 2.037 1.00 42.10 N ATOM 681 CD2 HIS A 624 5.599 9.635 0.476 1.00 54.34 C ATOM 682 CE1 HIS A 624 7.199 8.863 1.733 1.00 72.54 C ATOM 683 NE2 HIS A 624 6.919 9.736 0.788 1.00 32.05 N ATOM 0 H HIS A 624 3.005 8.200 -1.186 1.00 2.11 H new ATOM 0 HA HIS A 624 4.184 6.192 0.606 1.00 31.10 H new ATOM 0 HB2 HIS A 624 3.011 8.927 1.165 1.00 31.33 H new ATOM 0 HB3 HIS A 624 3.553 7.802 2.395 1.00 31.33 H new ATOM 0 HD2 HIS A 624 5.066 10.215 -0.263 1.00 54.34 H new ATOM 0 HE1 HIS A 624 8.170 8.709 2.180 1.00 72.54 H new ATOM 0 HE2 HIS A 624 7.583 10.382 0.360 1.00 32.05 H new ATOM 692 N ILE A 625 1.972 5.295 1.202 1.00 4.21 N ATOM 693 CA ILE A 625 0.706 4.740 1.539 1.00 44.44 C ATOM 694 C ILE A 625 0.833 4.056 2.865 1.00 5.42 C ATOM 695 O ILE A 625 1.946 3.685 3.291 1.00 63.42 O ATOM 696 CB ILE A 625 0.168 3.723 0.473 1.00 64.33 C ATOM 697 CG1 ILE A 625 1.050 2.483 0.423 1.00 62.42 C ATOM 698 CG2 ILE A 625 0.069 4.371 -0.906 1.00 53.54 C ATOM 699 CD1 ILE A 625 0.634 1.454 -0.614 1.00 40.14 C ATOM 0 H ILE A 625 2.768 4.684 1.384 1.00 4.21 H new ATOM 0 HA ILE A 625 -0.015 5.557 1.574 1.00 44.44 H new ATOM 0 HB ILE A 625 -0.835 3.421 0.773 1.00 64.33 H new ATOM 0 HG12 ILE A 625 2.076 2.791 0.220 1.00 62.42 H new ATOM 0 HG13 ILE A 625 1.047 2.011 1.406 1.00 62.42 H new ATOM 0 HG21 ILE A 625 -0.307 3.642 -1.624 1.00 53.54 H new ATOM 0 HG22 ILE A 625 -0.612 5.221 -0.861 1.00 53.54 H new ATOM 0 HG23 ILE A 625 1.055 4.713 -1.219 1.00 53.54 H new ATOM 0 HD11 ILE A 625 1.317 0.605 -0.579 1.00 40.14 H new ATOM 0 HD12 ILE A 625 -0.379 1.113 -0.402 1.00 40.14 H new ATOM 0 HD13 ILE A 625 0.665 1.904 -1.606 1.00 40.14 H new ATOM 706 N ASN A 626 -0.241 3.938 3.521 1.00 31.32 N ATOM 707 CA ASN A 626 -0.299 3.273 4.783 1.00 35.52 C ATOM 708 C ASN A 626 -1.427 2.270 4.743 1.00 32.21 C ATOM 709 O ASN A 626 -2.272 2.344 3.874 1.00 10.11 O ATOM 710 CB ASN A 626 -0.492 4.295 5.910 1.00 50.21 C ATOM 711 CG ASN A 626 -0.482 3.677 7.291 1.00 63.35 C ATOM 712 OD1 ASN A 626 0.150 2.639 7.523 1.00 32.15 O ATOM 713 ND2 ASN A 626 -1.147 4.307 8.211 1.00 42.51 N ATOM 0 H ASN A 626 -1.138 4.304 3.203 1.00 31.32 H new ATOM 0 HA ASN A 626 0.635 2.748 4.980 1.00 35.52 H new ATOM 0 HB2 ASN A 626 0.297 5.044 5.850 1.00 50.21 H new ATOM 0 HB3 ASN A 626 -1.438 4.816 5.760 1.00 50.21 H new ATOM 0 HD21 ASN A 626 -1.161 3.949 9.166 1.00 42.51 H new ATOM 0 HD22 ASN A 626 -1.655 5.160 7.979 1.00 42.51 H new ATOM 719 N VAL A 627 -1.398 1.293 5.601 1.00 4.53 N ATOM 720 CA VAL A 627 -2.477 0.351 5.661 1.00 32.24 C ATOM 721 C VAL A 627 -3.517 0.829 6.619 1.00 23.34 C ATOM 722 O VAL A 627 -3.319 0.793 7.838 1.00 1.51 O ATOM 723 CB VAL A 627 -2.030 -1.076 6.043 1.00 53.21 C ATOM 724 CG1 VAL A 627 -3.234 -2.007 6.173 1.00 10.14 C ATOM 725 CG2 VAL A 627 -1.089 -1.615 5.005 1.00 2.15 C ATOM 0 H VAL A 627 -0.643 1.128 6.266 1.00 4.53 H new ATOM 0 HA VAL A 627 -2.888 0.288 4.653 1.00 32.24 H new ATOM 0 HB VAL A 627 -1.521 -1.026 7.006 1.00 53.21 H new ATOM 0 HG11 VAL A 627 -2.893 -3.007 6.443 1.00 10.14 H new ATOM 0 HG12 VAL A 627 -3.903 -1.631 6.947 1.00 10.14 H new ATOM 0 HG13 VAL A 627 -3.766 -2.049 5.222 1.00 10.14 H new ATOM 0 HG21 VAL A 627 -0.779 -2.622 5.283 1.00 2.15 H new ATOM 0 HG22 VAL A 627 -1.592 -1.644 4.038 1.00 2.15 H new ATOM 0 HG23 VAL A 627 -0.212 -0.971 4.939 1.00 2.15 H new ATOM 731 N CYS A 628 -4.598 1.321 6.046 1.00 4.44 N ATOM 732 CA CYS A 628 -5.783 1.741 6.764 1.00 22.11 C ATOM 733 C CYS A 628 -5.571 3.066 7.512 1.00 64.25 C ATOM 734 O CYS A 628 -4.469 3.384 7.982 1.00 25.42 O ATOM 735 CB CYS A 628 -6.236 0.615 7.702 1.00 2.15 C ATOM 736 SG CYS A 628 -6.505 -0.969 6.837 1.00 61.35 S ATOM 0 H CYS A 628 -4.677 1.443 5.036 1.00 4.44 H new ATOM 0 HA CYS A 628 -6.576 1.935 6.042 1.00 22.11 H new ATOM 0 HB2 CYS A 628 -5.486 0.475 8.481 1.00 2.15 H new ATOM 0 HB3 CYS A 628 -7.159 0.913 8.199 1.00 2.15 H new ATOM 741 N GLY A 629 -6.635 3.828 7.620 1.00 40.24 N ATOM 742 CA GLY A 629 -6.566 5.119 8.244 1.00 1.34 C ATOM 743 C GLY A 629 -5.822 6.094 7.371 1.00 43.23 C ATOM 744 O GLY A 629 -5.725 5.894 6.154 1.00 20.25 O ATOM 0 H GLY A 629 -7.561 3.570 7.280 1.00 40.24 H new ATOM 0 HA2 GLY A 629 -7.573 5.490 8.435 1.00 1.34 H new ATOM 0 HA3 GLY A 629 -6.068 5.035 9.210 1.00 1.34 H new ATOM 748 N PRO A 630 -5.340 7.175 7.945 1.00 32.51 N ATOM 749 CA PRO A 630 -4.501 8.136 7.238 1.00 53.20 C ATOM 750 C PRO A 630 -3.027 7.715 7.202 1.00 52.23 C ATOM 751 O PRO A 630 -2.620 6.730 7.856 1.00 10.01 O ATOM 752 CB PRO A 630 -4.638 9.375 8.095 1.00 25.33 C ATOM 753 CG PRO A 630 -4.806 8.839 9.475 1.00 30.13 C ATOM 754 CD PRO A 630 -5.623 7.602 9.335 1.00 53.20 C ATOM 0 HA PRO A 630 -4.800 8.252 6.196 1.00 53.20 H new ATOM 0 HB2 PRO A 630 -3.758 10.013 8.019 1.00 25.33 H new ATOM 0 HB3 PRO A 630 -5.495 9.977 7.793 1.00 25.33 H new ATOM 0 HG2 PRO A 630 -3.840 8.620 9.929 1.00 30.13 H new ATOM 0 HG3 PRO A 630 -5.303 9.565 10.118 1.00 30.13 H new ATOM 0 HD2 PRO A 630 -5.331 6.841 10.059 1.00 53.20 H new ATOM 0 HD3 PRO A 630 -6.684 7.799 9.489 1.00 53.20 H new ATOM 762 N VAL A 631 -2.249 8.454 6.457 1.00 54.10 N ATOM 763 CA VAL A 631 -0.834 8.260 6.381 1.00 50.11 C ATOM 764 C VAL A 631 -0.155 9.438 7.078 1.00 20.44 C ATOM 765 O VAL A 631 -0.549 10.595 6.889 1.00 54.24 O ATOM 766 CB VAL A 631 -0.344 8.128 4.898 1.00 62.11 C ATOM 767 CG1 VAL A 631 -0.573 9.365 4.058 1.00 64.55 C ATOM 768 CG2 VAL A 631 1.074 7.700 4.831 1.00 21.23 C ATOM 0 H VAL A 631 -2.591 9.220 5.877 1.00 54.10 H new ATOM 0 HA VAL A 631 -0.570 7.326 6.877 1.00 50.11 H new ATOM 0 HB VAL A 631 -0.969 7.350 4.459 1.00 62.11 H new ATOM 0 HG11 VAL A 631 -0.206 9.191 3.046 1.00 64.55 H new ATOM 0 HG12 VAL A 631 -1.639 9.589 4.024 1.00 64.55 H new ATOM 0 HG13 VAL A 631 -0.039 10.207 4.498 1.00 64.55 H new ATOM 0 HG21 VAL A 631 1.381 7.619 3.788 1.00 21.23 H new ATOM 0 HG22 VAL A 631 1.700 8.435 5.337 1.00 21.23 H new ATOM 0 HG23 VAL A 631 1.185 6.731 5.318 1.00 21.23 H new ATOM 774 N SER A 632 0.822 9.167 7.895 1.00 32.01 N ATOM 775 CA SER A 632 1.455 10.225 8.612 1.00 21.13 C ATOM 776 C SER A 632 2.816 10.568 8.000 1.00 2.21 C ATOM 777 O SER A 632 3.869 10.133 8.466 1.00 4.10 O ATOM 778 CB SER A 632 1.535 9.903 10.119 1.00 22.23 C ATOM 779 OG SER A 632 2.035 10.998 10.879 1.00 24.41 O ATOM 0 H SER A 632 1.191 8.234 8.077 1.00 32.01 H new ATOM 0 HA SER A 632 0.842 11.122 8.520 1.00 21.13 H new ATOM 0 HB2 SER A 632 0.544 9.633 10.484 1.00 22.23 H new ATOM 0 HB3 SER A 632 2.178 9.036 10.269 1.00 22.23 H new ATOM 0 HG SER A 632 2.067 10.751 11.827 1.00 24.41 H new ATOM 785 N VAL A 633 2.779 11.273 6.897 1.00 62.10 N ATOM 786 CA VAL A 633 3.994 11.736 6.255 1.00 2.42 C ATOM 787 C VAL A 633 3.993 13.244 6.263 1.00 1.35 C ATOM 788 O VAL A 633 2.990 13.858 5.901 1.00 14.32 O ATOM 789 CB VAL A 633 4.103 11.257 4.777 1.00 20.00 C ATOM 790 CG1 VAL A 633 5.433 11.664 4.151 1.00 1.10 C ATOM 791 CG2 VAL A 633 3.898 9.773 4.670 1.00 62.02 C ATOM 0 H VAL A 633 1.919 11.542 6.420 1.00 62.10 H new ATOM 0 HA VAL A 633 4.840 11.325 6.806 1.00 2.42 H new ATOM 0 HB VAL A 633 3.308 11.751 4.219 1.00 20.00 H new ATOM 0 HG11 VAL A 633 5.473 11.313 3.120 1.00 1.10 H new ATOM 0 HG12 VAL A 633 5.526 12.750 4.168 1.00 1.10 H new ATOM 0 HG13 VAL A 633 6.252 11.221 4.717 1.00 1.10 H new ATOM 0 HG21 VAL A 633 3.980 9.469 3.627 1.00 62.02 H new ATOM 0 HG22 VAL A 633 4.657 9.258 5.259 1.00 62.02 H new ATOM 0 HG23 VAL A 633 2.908 9.514 5.047 1.00 62.02 H new ATOM 797 N GLY A 634 5.109 13.843 6.639 1.00 44.00 N ATOM 798 CA GLY A 634 5.216 15.297 6.667 1.00 0.43 C ATOM 799 C GLY A 634 5.371 15.918 5.277 1.00 64.21 C ATOM 800 O GLY A 634 5.980 16.980 5.115 1.00 41.32 O ATOM 0 H GLY A 634 5.953 13.350 6.929 1.00 44.00 H new ATOM 0 HA2 GLY A 634 4.328 15.711 7.146 1.00 0.43 H new ATOM 0 HA3 GLY A 634 6.071 15.580 7.281 1.00 0.43 H new ATOM 804 N ALA A 635 4.818 15.255 4.291 1.00 24.00 N ATOM 805 CA ALA A 635 4.822 15.713 2.923 1.00 21.31 C ATOM 806 C ALA A 635 3.461 15.424 2.323 1.00 20.50 C ATOM 807 O ALA A 635 3.230 15.610 1.120 1.00 53.34 O ATOM 808 CB ALA A 635 5.914 15.002 2.128 1.00 64.12 C ATOM 0 H ALA A 635 4.342 14.362 4.420 1.00 24.00 H new ATOM 0 HA ALA A 635 5.026 16.783 2.888 1.00 21.31 H new ATOM 0 HB1 ALA A 635 5.904 15.358 1.098 1.00 64.12 H new ATOM 0 HB2 ALA A 635 6.885 15.212 2.576 1.00 64.12 H new ATOM 0 HB3 ALA A 635 5.733 13.927 2.142 1.00 64.12 H new ATOM 814 N CYS A 636 2.555 14.977 3.174 1.00 0.43 N ATOM 815 CA CYS A 636 1.223 14.608 2.779 1.00 73.04 C ATOM 816 C CYS A 636 0.233 15.192 3.774 1.00 33.14 C ATOM 817 O CYS A 636 0.620 15.532 4.899 1.00 53.14 O ATOM 818 CB CYS A 636 1.104 13.088 2.796 1.00 62.32 C ATOM 819 SG CYS A 636 2.289 12.218 1.725 1.00 43.00 S ATOM 0 H CYS A 636 2.734 14.861 4.171 1.00 0.43 H new ATOM 0 HA CYS A 636 1.013 14.987 1.779 1.00 73.04 H new ATOM 0 HB2 CYS A 636 1.237 12.739 3.820 1.00 62.32 H new ATOM 0 HB3 CYS A 636 0.093 12.813 2.494 1.00 62.32 H new ATOM 824 N PRO A 637 -1.035 15.354 3.384 1.00 71.43 N ATOM 825 CA PRO A 637 -2.062 15.826 4.291 1.00 14.14 C ATOM 826 C PRO A 637 -2.572 14.684 5.202 1.00 52.42 C ATOM 827 O PRO A 637 -2.650 13.518 4.771 1.00 60.12 O ATOM 828 CB PRO A 637 -3.176 16.294 3.348 1.00 51.14 C ATOM 829 CG PRO A 637 -3.024 15.454 2.127 1.00 41.12 C ATOM 830 CD PRO A 637 -1.562 15.112 2.020 1.00 44.40 C ATOM 0 HA PRO A 637 -1.704 16.607 4.962 1.00 14.14 H new ATOM 0 HB2 PRO A 637 -4.159 16.159 3.800 1.00 51.14 H new ATOM 0 HB3 PRO A 637 -3.076 17.354 3.113 1.00 51.14 H new ATOM 0 HG2 PRO A 637 -3.629 14.550 2.201 1.00 41.12 H new ATOM 0 HG3 PRO A 637 -3.362 15.993 1.242 1.00 41.12 H new ATOM 0 HD2 PRO A 637 -1.416 14.076 1.714 1.00 44.40 H new ATOM 0 HD3 PRO A 637 -1.059 15.736 1.281 1.00 44.40 H new ATOM 838 N PRO A 638 -2.935 14.997 6.468 1.00 11.22 N ATOM 839 CA PRO A 638 -3.462 14.000 7.427 1.00 45.12 C ATOM 840 C PRO A 638 -4.794 13.400 6.959 1.00 52.22 C ATOM 841 O PRO A 638 -5.269 12.417 7.509 1.00 41.11 O ATOM 842 CB PRO A 638 -3.687 14.816 8.709 1.00 43.41 C ATOM 843 CG PRO A 638 -2.846 16.030 8.546 1.00 70.01 C ATOM 844 CD PRO A 638 -2.839 16.333 7.080 1.00 13.23 C ATOM 0 HA PRO A 638 -2.780 13.158 7.549 1.00 45.12 H new ATOM 0 HB2 PRO A 638 -4.738 15.078 8.831 1.00 43.41 H new ATOM 0 HB3 PRO A 638 -3.395 14.250 9.593 1.00 43.41 H new ATOM 0 HG2 PRO A 638 -3.253 16.866 9.115 1.00 70.01 H new ATOM 0 HG3 PRO A 638 -1.835 15.856 8.913 1.00 70.01 H new ATOM 0 HD2 PRO A 638 -3.677 16.969 6.795 1.00 13.23 H new ATOM 0 HD3 PRO A 638 -1.928 16.851 6.779 1.00 13.23 H new ATOM 852 N ASP A 639 -5.387 14.019 5.949 1.00 12.32 N ATOM 853 CA ASP A 639 -6.653 13.561 5.370 1.00 20.23 C ATOM 854 C ASP A 639 -6.449 12.526 4.299 1.00 61.23 C ATOM 855 O ASP A 639 -7.402 12.113 3.652 1.00 62.13 O ATOM 856 CB ASP A 639 -7.460 14.716 4.782 1.00 53.11 C ATOM 857 CG ASP A 639 -8.033 15.633 5.819 1.00 22.31 C ATOM 858 OD1 ASP A 639 -7.301 16.494 6.339 1.00 73.13 O ATOM 859 OD2 ASP A 639 -9.251 15.505 6.117 1.00 24.23 O ATOM 0 H ASP A 639 -5.008 14.855 5.503 1.00 12.32 H new ATOM 0 HA ASP A 639 -7.207 13.114 6.196 1.00 20.23 H new ATOM 0 HB2 ASP A 639 -6.821 15.292 4.113 1.00 53.11 H new ATOM 0 HB3 ASP A 639 -8.272 14.311 4.178 1.00 53.11 H new ATOM 864 N SER A 640 -5.234 12.113 4.089 1.00 54.31 N ATOM 865 CA SER A 640 -4.984 11.102 3.111 1.00 3.41 C ATOM 866 C SER A 640 -4.333 9.902 3.749 1.00 75.01 C ATOM 867 O SER A 640 -3.540 10.047 4.677 1.00 64.02 O ATOM 868 CB SER A 640 -4.144 11.647 1.938 1.00 22.45 C ATOM 869 OG SER A 640 -2.896 12.179 2.367 1.00 62.12 O ATOM 0 H SER A 640 -4.408 12.458 4.578 1.00 54.31 H new ATOM 0 HA SER A 640 -5.941 10.786 2.696 1.00 3.41 H new ATOM 0 HB2 SER A 640 -3.967 10.847 1.219 1.00 22.45 H new ATOM 0 HB3 SER A 640 -4.708 12.423 1.420 1.00 22.45 H new ATOM 0 HG SER A 640 -3.021 12.671 3.205 1.00 62.12 H new ATOM 875 N GLY A 641 -4.714 8.735 3.296 1.00 44.15 N ATOM 876 CA GLY A 641 -4.088 7.512 3.745 1.00 22.22 C ATOM 877 C GLY A 641 -3.101 7.018 2.708 1.00 11.52 C ATOM 878 O GLY A 641 -2.253 6.161 2.976 1.00 0.14 O ATOM 0 H GLY A 641 -5.459 8.603 2.612 1.00 44.15 H new ATOM 0 HA2 GLY A 641 -3.576 7.683 4.692 1.00 22.22 H new ATOM 0 HA3 GLY A 641 -4.847 6.751 3.926 1.00 22.22 H new ATOM 882 N ALA A 642 -3.218 7.579 1.521 1.00 22.23 N ATOM 883 CA ALA A 642 -2.331 7.303 0.422 1.00 13.24 C ATOM 884 C ALA A 642 -2.076 8.604 -0.295 1.00 44.30 C ATOM 885 O ALA A 642 -3.017 9.301 -0.713 1.00 22.41 O ATOM 886 CB ALA A 642 -2.939 6.261 -0.511 1.00 60.23 C ATOM 0 H ALA A 642 -3.950 8.253 1.295 1.00 22.23 H new ATOM 0 HA ALA A 642 -1.389 6.889 0.782 1.00 13.24 H new ATOM 0 HB1 ALA A 642 -2.253 6.066 -1.335 1.00 60.23 H new ATOM 0 HB2 ALA A 642 -3.115 5.337 0.040 1.00 60.23 H new ATOM 0 HB3 ALA A 642 -3.884 6.634 -0.906 1.00 60.23 H new ATOM 892 N CYS A 643 -0.836 8.944 -0.423 1.00 53.15 N ATOM 893 CA CYS A 643 -0.445 10.201 -0.981 1.00 1.45 C ATOM 894 C CYS A 643 0.746 10.032 -1.897 1.00 65.31 C ATOM 895 O CYS A 643 1.701 9.314 -1.577 1.00 43.51 O ATOM 896 CB CYS A 643 -0.087 11.160 0.155 1.00 73.32 C ATOM 897 SG CYS A 643 1.276 10.550 1.217 1.00 24.25 S ATOM 0 H CYS A 643 -0.055 8.352 -0.141 1.00 53.15 H new ATOM 0 HA CYS A 643 -1.273 10.604 -1.564 1.00 1.45 H new ATOM 0 HB2 CYS A 643 0.195 12.124 -0.268 1.00 73.32 H new ATOM 0 HB3 CYS A 643 -0.970 11.328 0.771 1.00 73.32 H new ATOM 902 N GLN A 644 0.693 10.645 -3.031 1.00 62.42 N ATOM 903 CA GLN A 644 1.815 10.616 -3.915 1.00 22.32 C ATOM 904 C GLN A 644 2.482 11.938 -3.943 1.00 60.32 C ATOM 905 O GLN A 644 1.827 12.960 -3.844 1.00 62.43 O ATOM 906 CB GLN A 644 1.467 10.235 -5.323 1.00 53.51 C ATOM 907 CG GLN A 644 0.377 11.060 -5.976 1.00 74.44 C ATOM 908 CD GLN A 644 0.201 10.734 -7.452 1.00 51.11 C ATOM 909 OE1 GLN A 644 0.431 9.618 -7.884 1.00 53.42 O ATOM 910 NE2 GLN A 644 -0.177 11.712 -8.230 1.00 74.23 N ATOM 0 H GLN A 644 -0.112 11.172 -3.370 1.00 62.42 H new ATOM 0 HA GLN A 644 2.477 9.846 -3.519 1.00 22.32 H new ATOM 0 HB2 GLN A 644 2.367 10.308 -5.933 1.00 53.51 H new ATOM 0 HB3 GLN A 644 1.160 9.189 -5.332 1.00 53.51 H new ATOM 0 HG2 GLN A 644 -0.565 10.888 -5.455 1.00 74.44 H new ATOM 0 HG3 GLN A 644 0.613 12.119 -5.867 1.00 74.44 H new ATOM 0 HE21 GLN A 644 -0.362 12.635 -7.836 1.00 74.23 H new ATOM 0 HE22 GLN A 644 -0.288 11.553 -9.231 1.00 74.23 H new ATOM 918 N VAL A 645 3.758 11.922 -4.068 1.00 10.32 N ATOM 919 CA VAL A 645 4.519 13.109 -4.158 1.00 14.23 C ATOM 920 C VAL A 645 5.558 13.009 -5.250 1.00 1.52 C ATOM 921 O VAL A 645 6.282 12.014 -5.374 1.00 71.13 O ATOM 922 CB VAL A 645 5.097 13.609 -2.778 1.00 30.50 C ATOM 923 CG1 VAL A 645 5.767 12.506 -2.011 1.00 2.34 C ATOM 924 CG2 VAL A 645 6.075 14.773 -2.968 1.00 22.03 C ATOM 0 H VAL A 645 4.312 11.066 -4.111 1.00 10.32 H new ATOM 0 HA VAL A 645 3.827 13.900 -4.447 1.00 14.23 H new ATOM 0 HB VAL A 645 4.242 13.956 -2.197 1.00 30.50 H new ATOM 0 HG11 VAL A 645 6.149 12.898 -1.068 1.00 2.34 H new ATOM 0 HG12 VAL A 645 5.046 11.714 -1.809 1.00 2.34 H new ATOM 0 HG13 VAL A 645 6.593 12.104 -2.598 1.00 2.34 H new ATOM 0 HG21 VAL A 645 6.454 15.092 -1.997 1.00 22.03 H new ATOM 0 HG22 VAL A 645 6.907 14.451 -3.594 1.00 22.03 H new ATOM 0 HG23 VAL A 645 5.561 15.605 -3.448 1.00 22.03 H new ATOM 930 N SER A 646 5.559 14.001 -6.074 1.00 42.33 N ATOM 931 CA SER A 646 6.485 14.142 -7.126 1.00 43.24 C ATOM 932 C SER A 646 7.809 14.527 -6.505 1.00 5.11 C ATOM 933 O SER A 646 7.956 15.633 -5.999 1.00 13.52 O ATOM 934 CB SER A 646 5.984 15.247 -8.081 1.00 72.25 C ATOM 935 OG SER A 646 6.874 15.489 -9.151 1.00 45.13 O ATOM 0 H SER A 646 4.883 14.763 -6.024 1.00 42.33 H new ATOM 0 HA SER A 646 6.598 13.220 -7.697 1.00 43.24 H new ATOM 0 HB2 SER A 646 5.011 14.962 -8.481 1.00 72.25 H new ATOM 0 HB3 SER A 646 5.840 16.169 -7.518 1.00 72.25 H new ATOM 0 HG SER A 646 6.443 16.074 -9.809 1.00 45.13 H new ATOM 941 N ARG A 647 8.754 13.613 -6.504 1.00 72.21 N ATOM 942 CA ARG A 647 10.052 13.879 -5.919 1.00 52.32 C ATOM 943 C ARG A 647 10.787 14.872 -6.797 1.00 0.04 C ATOM 944 O ARG A 647 11.672 15.586 -6.348 1.00 63.04 O ATOM 945 CB ARG A 647 10.865 12.576 -5.726 1.00 24.13 C ATOM 946 CG ARG A 647 11.277 11.885 -7.003 1.00 1.44 C ATOM 947 CD ARG A 647 11.913 10.536 -6.736 1.00 65.24 C ATOM 948 NE ARG A 647 13.126 10.615 -5.921 1.00 74.55 N ATOM 949 CZ ARG A 647 13.607 9.596 -5.190 1.00 10.22 C ATOM 950 NH1 ARG A 647 12.964 8.435 -5.166 1.00 21.11 N ATOM 951 NH2 ARG A 647 14.725 9.746 -4.493 1.00 41.34 N ATOM 0 H ARG A 647 8.649 12.679 -6.901 1.00 72.21 H new ATOM 0 HA ARG A 647 9.920 14.307 -4.925 1.00 52.32 H new ATOM 0 HB2 ARG A 647 11.761 12.807 -5.150 1.00 24.13 H new ATOM 0 HB3 ARG A 647 10.273 11.882 -5.130 1.00 24.13 H new ATOM 0 HG2 ARG A 647 10.404 11.755 -7.643 1.00 1.44 H new ATOM 0 HG3 ARG A 647 11.980 12.516 -7.547 1.00 1.44 H new ATOM 0 HD2 ARG A 647 11.189 9.894 -6.234 1.00 65.24 H new ATOM 0 HD3 ARG A 647 12.154 10.062 -7.687 1.00 65.24 H new ATOM 0 HE ARG A 647 13.637 11.498 -5.907 1.00 74.55 H new ATOM 0 HH11 ARG A 647 12.105 8.317 -5.703 1.00 21.11 H new ATOM 0 HH12 ARG A 647 13.329 7.661 -4.611 1.00 21.11 H new ATOM 0 HH21 ARG A 647 15.222 10.637 -4.511 1.00 41.34 H new ATOM 0 HH22 ARG A 647 15.088 8.971 -3.939 1.00 41.34 H new ATOM 963 N SER A 648 10.367 14.927 -8.044 1.00 73.34 N ATOM 964 CA SER A 648 10.926 15.798 -9.010 1.00 1.50 C ATOM 965 C SER A 648 10.375 17.243 -8.885 1.00 14.43 C ATOM 966 O SER A 648 11.156 18.201 -8.858 1.00 53.53 O ATOM 967 CB SER A 648 10.669 15.195 -10.398 1.00 72.32 C ATOM 968 OG SER A 648 9.312 14.847 -10.541 1.00 63.44 O ATOM 0 H SER A 648 9.609 14.347 -8.404 1.00 73.34 H new ATOM 0 HA SER A 648 12.000 15.888 -8.845 1.00 1.50 H new ATOM 0 HB2 SER A 648 10.950 15.911 -11.170 1.00 72.32 H new ATOM 0 HB3 SER A 648 11.294 14.313 -10.539 1.00 72.32 H new ATOM 0 HG SER A 648 8.788 15.277 -9.833 1.00 63.44 H new ATOM 974 N ASP A 649 9.047 17.403 -8.779 1.00 2.45 N ATOM 975 CA ASP A 649 8.462 18.768 -8.749 1.00 43.53 C ATOM 976 C ASP A 649 8.000 19.229 -7.338 1.00 11.03 C ATOM 977 O ASP A 649 7.622 20.382 -7.152 1.00 75.24 O ATOM 978 CB ASP A 649 7.350 18.926 -9.802 1.00 54.32 C ATOM 979 CG ASP A 649 6.914 20.370 -9.994 1.00 45.41 C ATOM 980 OD1 ASP A 649 7.714 21.168 -10.519 1.00 14.00 O ATOM 981 OD2 ASP A 649 5.761 20.717 -9.665 1.00 64.10 O ATOM 0 H ASP A 649 8.373 16.641 -8.714 1.00 2.45 H new ATOM 0 HA ASP A 649 9.275 19.444 -9.014 1.00 43.53 H new ATOM 0 HB2 ASP A 649 7.700 18.528 -10.755 1.00 54.32 H new ATOM 0 HB3 ASP A 649 6.488 18.329 -9.505 1.00 54.32 H new ATOM 986 N ARG A 650 8.062 18.322 -6.368 1.00 15.34 N ATOM 987 CA ARG A 650 7.739 18.549 -4.940 1.00 21.32 C ATOM 988 C ARG A 650 6.198 18.700 -4.711 1.00 14.21 C ATOM 989 O ARG A 650 5.738 19.173 -3.681 1.00 73.44 O ATOM 990 CB ARG A 650 8.493 19.779 -4.408 1.00 44.20 C ATOM 991 CG ARG A 650 8.432 19.925 -2.922 1.00 64.43 C ATOM 992 CD ARG A 650 9.460 19.073 -2.202 1.00 13.11 C ATOM 993 NE ARG A 650 10.825 19.563 -2.453 1.00 71.31 N ATOM 994 CZ ARG A 650 11.842 19.476 -1.586 1.00 11.23 C ATOM 995 NH1 ARG A 650 11.695 18.812 -0.441 1.00 12.32 N ATOM 996 NH2 ARG A 650 13.003 20.053 -1.873 1.00 20.01 N ATOM 0 H ARG A 650 8.351 17.361 -6.551 1.00 15.34 H new ATOM 0 HA ARG A 650 8.065 17.671 -4.383 1.00 21.32 H new ATOM 0 HB2 ARG A 650 9.537 19.715 -4.715 1.00 44.20 H new ATOM 0 HB3 ARG A 650 8.079 20.676 -4.870 1.00 44.20 H new ATOM 0 HG2 ARG A 650 8.586 20.971 -2.658 1.00 64.43 H new ATOM 0 HG3 ARG A 650 7.435 19.652 -2.576 1.00 64.43 H new ATOM 0 HD2 ARG A 650 9.258 19.082 -1.131 1.00 13.11 H new ATOM 0 HD3 ARG A 650 9.375 18.038 -2.533 1.00 13.11 H new ATOM 0 HE ARG A 650 11.010 20.002 -3.355 1.00 71.31 H new ATOM 0 HH11 ARG A 650 10.804 18.366 -0.221 1.00 12.32 H new ATOM 0 HH12 ARG A 650 12.473 18.749 0.216 1.00 12.32 H new ATOM 0 HH21 ARG A 650 13.117 20.560 -2.751 1.00 20.01 H new ATOM 0 HH22 ARG A 650 13.780 19.989 -1.216 1.00 20.01 H new ATOM 1008 N LYS A 651 5.433 18.245 -5.649 1.00 53.44 N ATOM 1009 CA LYS A 651 3.969 18.301 -5.565 1.00 64.33 C ATOM 1010 C LYS A 651 3.423 17.013 -4.973 1.00 40.04 C ATOM 1011 O LYS A 651 3.879 15.943 -5.345 1.00 52.15 O ATOM 1012 CB LYS A 651 3.428 18.402 -6.962 1.00 11.34 C ATOM 1013 CG LYS A 651 3.713 19.656 -7.692 1.00 73.42 C ATOM 1014 CD LYS A 651 2.800 20.757 -7.252 1.00 64.10 C ATOM 1015 CE LYS A 651 2.851 21.913 -8.219 1.00 3.03 C ATOM 1016 NZ LYS A 651 4.201 22.496 -8.358 1.00 51.35 N ATOM 0 H LYS A 651 5.784 17.819 -6.506 1.00 53.44 H new ATOM 0 HA LYS A 651 3.681 19.150 -4.945 1.00 64.33 H new ATOM 0 HB2 LYS A 651 3.827 17.571 -7.543 1.00 11.34 H new ATOM 0 HB3 LYS A 651 2.347 18.271 -6.919 1.00 11.34 H new ATOM 0 HG2 LYS A 651 4.749 19.950 -7.524 1.00 73.42 H new ATOM 0 HG3 LYS A 651 3.598 19.491 -8.763 1.00 73.42 H new ATOM 0 HD2 LYS A 651 1.779 20.382 -7.180 1.00 64.10 H new ATOM 0 HD3 LYS A 651 3.086 21.097 -6.257 1.00 64.10 H new ATOM 0 HE2 LYS A 651 2.505 21.576 -9.196 1.00 3.03 H new ATOM 0 HE3 LYS A 651 2.160 22.688 -7.886 1.00 3.03 H new ATOM 0 HZ1 LYS A 651 4.124 23.464 -8.729 1.00 51.35 H new ATOM 0 HZ2 LYS A 651 4.667 22.518 -7.429 1.00 51.35 H new ATOM 0 HZ3 LYS A 651 4.763 21.917 -9.014 1.00 51.35 H new ATOM 1030 N SER A 652 2.448 17.096 -4.086 1.00 24.14 N ATOM 1031 CA SER A 652 1.832 15.886 -3.588 1.00 31.21 C ATOM 1032 C SER A 652 0.338 15.904 -3.883 1.00 33.21 C ATOM 1033 O SER A 652 -0.296 16.968 -3.892 1.00 61.32 O ATOM 1034 CB SER A 652 2.037 15.693 -2.095 1.00 34.52 C ATOM 1035 OG SER A 652 3.383 15.913 -1.701 1.00 42.35 O ATOM 0 H SER A 652 2.075 17.966 -3.705 1.00 24.14 H new ATOM 0 HA SER A 652 2.316 15.055 -4.100 1.00 31.21 H new ATOM 0 HB2 SER A 652 1.385 16.376 -1.550 1.00 34.52 H new ATOM 0 HB3 SER A 652 1.741 14.681 -1.818 1.00 34.52 H new ATOM 0 HG SER A 652 3.456 15.834 -0.727 1.00 42.35 H new ATOM 1041 N TRP A 653 -0.217 14.742 -4.127 1.00 13.31 N ATOM 1042 CA TRP A 653 -1.615 14.602 -4.441 1.00 70.22 C ATOM 1043 C TRP A 653 -2.254 13.561 -3.538 1.00 53.30 C ATOM 1044 O TRP A 653 -1.567 12.680 -2.997 1.00 12.03 O ATOM 1045 CB TRP A 653 -1.813 14.231 -5.916 1.00 22.43 C ATOM 1046 CG TRP A 653 -1.275 15.256 -6.876 1.00 31.35 C ATOM 1047 CD1 TRP A 653 -1.938 16.338 -7.373 1.00 4.22 C ATOM 1048 CD2 TRP A 653 0.040 15.297 -7.447 1.00 61.12 C ATOM 1049 NE1 TRP A 653 -1.122 17.039 -8.221 1.00 65.41 N ATOM 1050 CE2 TRP A 653 0.094 16.421 -8.284 1.00 35.40 C ATOM 1051 CE3 TRP A 653 1.172 14.490 -7.331 1.00 4.43 C ATOM 1052 CZ2 TRP A 653 1.233 16.756 -9.004 1.00 62.44 C ATOM 1053 CZ3 TRP A 653 2.298 14.814 -8.034 1.00 5.54 C ATOM 1054 CH2 TRP A 653 2.327 15.942 -8.866 1.00 61.25 C ATOM 0 H TRP A 653 0.295 13.860 -4.113 1.00 13.31 H new ATOM 0 HA TRP A 653 -2.102 15.562 -4.269 1.00 70.22 H new ATOM 0 HB2 TRP A 653 -1.326 13.275 -6.109 1.00 22.43 H new ATOM 0 HB3 TRP A 653 -2.877 14.091 -6.106 1.00 22.43 H new ATOM 0 HD1 TRP A 653 -2.957 16.604 -7.133 1.00 4.22 H new ATOM 0 HE1 TRP A 653 -1.381 17.887 -8.725 1.00 65.41 H new ATOM 0 HE3 TRP A 653 1.159 13.619 -6.693 1.00 4.43 H new ATOM 0 HZ2 TRP A 653 1.256 17.623 -9.647 1.00 62.44 H new ATOM 0 HZ3 TRP A 653 3.177 14.193 -7.948 1.00 5.54 H new ATOM 0 HH2 TRP A 653 3.231 16.174 -9.410 1.00 61.25 H new ATOM 1065 N ASN A 654 -3.552 13.647 -3.408 1.00 65.22 N ATOM 1066 CA ASN A 654 -4.319 12.779 -2.526 1.00 21.42 C ATOM 1067 C ASN A 654 -4.865 11.624 -3.346 1.00 4.32 C ATOM 1068 O ASN A 654 -5.643 11.844 -4.281 1.00 2.22 O ATOM 1069 CB ASN A 654 -5.496 13.579 -1.967 1.00 61.13 C ATOM 1070 CG ASN A 654 -6.259 12.901 -0.859 1.00 74.21 C ATOM 1071 OD1 ASN A 654 -6.322 11.686 -0.768 1.00 1.34 O ATOM 1072 ND2 ASN A 654 -6.870 13.689 -0.024 1.00 51.41 N ATOM 0 H ASN A 654 -4.121 14.326 -3.913 1.00 65.22 H new ATOM 0 HA ASN A 654 -3.693 12.406 -1.715 1.00 21.42 H new ATOM 0 HB2 ASN A 654 -5.124 14.535 -1.599 1.00 61.13 H new ATOM 0 HB3 ASN A 654 -6.186 13.798 -2.782 1.00 61.13 H new ATOM 0 HD21 ASN A 654 -7.424 13.295 0.737 1.00 51.41 H new ATOM 0 HD22 ASN A 654 -6.796 14.701 -0.130 1.00 51.41 H new ATOM 1078 N LEU A 655 -4.470 10.414 -3.009 1.00 3.21 N ATOM 1079 CA LEU A 655 -4.894 9.239 -3.766 1.00 11.44 C ATOM 1080 C LEU A 655 -5.912 8.443 -2.982 1.00 5.44 C ATOM 1081 O LEU A 655 -6.246 7.300 -3.329 1.00 54.22 O ATOM 1082 CB LEU A 655 -3.696 8.355 -4.083 1.00 24.43 C ATOM 1083 CG LEU A 655 -2.544 9.018 -4.822 1.00 42.14 C ATOM 1084 CD1 LEU A 655 -1.486 7.988 -5.175 1.00 15.42 C ATOM 1085 CD2 LEU A 655 -3.038 9.761 -6.057 1.00 21.22 C ATOM 0 H LEU A 655 -3.857 10.211 -2.219 1.00 3.21 H new ATOM 0 HA LEU A 655 -5.348 9.579 -4.697 1.00 11.44 H new ATOM 0 HB2 LEU A 655 -3.313 7.950 -3.146 1.00 24.43 H new ATOM 0 HB3 LEU A 655 -4.043 7.510 -4.678 1.00 24.43 H new ATOM 0 HG LEU A 655 -2.089 9.758 -4.164 1.00 42.14 H new ATOM 0 HD11 LEU A 655 -0.666 8.475 -5.704 1.00 15.42 H new ATOM 0 HD12 LEU A 655 -1.107 7.528 -4.262 1.00 15.42 H new ATOM 0 HD13 LEU A 655 -1.924 7.220 -5.813 1.00 15.42 H new ATOM 0 HD21 LEU A 655 -2.192 10.225 -6.565 1.00 21.22 H new ATOM 0 HD22 LEU A 655 -3.527 9.059 -6.733 1.00 21.22 H new ATOM 0 HD23 LEU A 655 -3.749 10.531 -5.758 1.00 21.22 H new ATOM 1093 N GLY A 656 -6.395 9.031 -1.935 1.00 74.02 N ATOM 1094 CA GLY A 656 -7.350 8.389 -1.121 1.00 40.21 C ATOM 1095 C GLY A 656 -7.350 8.959 0.243 1.00 4.01 C ATOM 1096 O GLY A 656 -6.301 8.998 0.913 1.00 11.20 O ATOM 0 H GLY A 656 -6.133 9.968 -1.629 1.00 74.02 H new ATOM 0 HA2 GLY A 656 -8.341 8.495 -1.563 1.00 40.21 H new ATOM 0 HA3 GLY A 656 -7.134 7.322 -1.073 1.00 40.21 H new ATOM 1100 N ARG A 657 -8.505 9.410 0.679 1.00 4.11 N ATOM 1101 CA ARG A 657 -8.628 10.010 1.969 1.00 53.42 C ATOM 1102 C ARG A 657 -8.506 8.934 3.030 1.00 15.45 C ATOM 1103 O ARG A 657 -8.567 7.746 2.698 1.00 35.34 O ATOM 1104 CB ARG A 657 -9.945 10.785 2.082 1.00 34.34 C ATOM 1105 CG ARG A 657 -10.155 11.761 0.933 1.00 34.43 C ATOM 1106 CD ARG A 657 -11.395 12.623 1.095 1.00 22.11 C ATOM 1107 NE ARG A 657 -11.617 13.461 -0.101 1.00 73.21 N ATOM 1108 CZ ARG A 657 -11.639 14.803 -0.121 1.00 3.35 C ATOM 1109 NH1 ARG A 657 -11.463 15.498 1.000 1.00 30.30 N ATOM 1110 NH2 ARG A 657 -11.837 15.440 -1.269 1.00 54.22 N ATOM 0 H ARG A 657 -9.374 9.367 0.146 1.00 4.11 H new ATOM 0 HA ARG A 657 -7.826 10.733 2.119 1.00 53.42 H new ATOM 0 HB2 ARG A 657 -10.775 10.079 2.110 1.00 34.34 H new ATOM 0 HB3 ARG A 657 -9.960 11.332 3.025 1.00 34.34 H new ATOM 0 HG2 ARG A 657 -9.281 12.407 0.850 1.00 34.43 H new ATOM 0 HG3 ARG A 657 -10.229 11.202 -0.000 1.00 34.43 H new ATOM 0 HD2 ARG A 657 -12.264 11.988 1.265 1.00 22.11 H new ATOM 0 HD3 ARG A 657 -11.288 13.259 1.974 1.00 22.11 H new ATOM 0 HE ARG A 657 -11.766 12.979 -0.987 1.00 73.21 H new ATOM 0 HH11 ARG A 657 -11.310 15.011 1.883 1.00 30.30 H new ATOM 0 HH12 ARG A 657 -11.481 16.518 0.976 1.00 30.30 H new ATOM 0 HH21 ARG A 657 -11.971 14.910 -2.130 1.00 54.22 H new ATOM 0 HH22 ARG A 657 -11.855 16.460 -1.290 1.00 54.22 H new ATOM 1122 N SER A 658 -8.350 9.339 4.272 1.00 72.12 N ATOM 1123 CA SER A 658 -8.125 8.426 5.379 1.00 44.24 C ATOM 1124 C SER A 658 -9.245 7.395 5.441 1.00 21.03 C ATOM 1125 O SER A 658 -10.407 7.728 5.661 1.00 51.13 O ATOM 1126 CB SER A 658 -8.101 9.231 6.649 1.00 63.03 C ATOM 1127 OG SER A 658 -7.260 10.359 6.494 1.00 4.22 O ATOM 0 H SER A 658 -8.376 10.321 4.548 1.00 72.12 H new ATOM 0 HA SER A 658 -7.180 7.899 5.246 1.00 44.24 H new ATOM 0 HB2 SER A 658 -9.111 9.553 6.904 1.00 63.03 H new ATOM 0 HB3 SER A 658 -7.746 8.613 7.474 1.00 63.03 H new ATOM 0 HG SER A 658 -7.374 10.960 7.260 1.00 4.22 H new ATOM 1133 N ASN A 659 -8.896 6.160 5.227 1.00 32.01 N ATOM 1134 CA ASN A 659 -9.877 5.121 5.096 1.00 3.12 C ATOM 1135 C ASN A 659 -9.323 3.800 5.569 1.00 42.21 C ATOM 1136 O ASN A 659 -8.173 3.472 5.303 1.00 22.11 O ATOM 1137 CB ASN A 659 -10.311 5.069 3.635 1.00 43.11 C ATOM 1138 CG ASN A 659 -11.251 3.971 3.303 1.00 54.44 C ATOM 1139 OD1 ASN A 659 -12.440 4.111 3.458 1.00 34.10 O ATOM 1140 ND2 ASN A 659 -10.731 2.907 2.761 1.00 72.23 N ATOM 0 H ASN A 659 -7.930 5.845 5.139 1.00 32.01 H new ATOM 0 HA ASN A 659 -10.744 5.331 5.722 1.00 3.12 H new ATOM 0 HB2 ASN A 659 -10.778 6.019 3.376 1.00 43.11 H new ATOM 0 HB3 ASN A 659 -9.423 4.969 3.010 1.00 43.11 H new ATOM 0 HD21 ASN A 659 -11.335 2.148 2.447 1.00 72.23 H new ATOM 0 HD22 ASN A 659 -9.720 2.833 2.651 1.00 72.23 H new ATOM 1146 N ALA A 660 -10.129 3.049 6.269 1.00 33.41 N ATOM 1147 CA ALA A 660 -9.682 1.796 6.864 1.00 71.52 C ATOM 1148 C ALA A 660 -10.419 0.636 6.271 1.00 45.53 C ATOM 1149 O ALA A 660 -10.298 -0.482 6.734 1.00 34.03 O ATOM 1150 CB ALA A 660 -9.895 1.828 8.374 1.00 53.13 C ATOM 0 H ALA A 660 -11.107 3.276 6.448 1.00 33.41 H new ATOM 0 HA ALA A 660 -8.619 1.676 6.654 1.00 71.52 H new ATOM 0 HB1 ALA A 660 -9.558 0.887 8.809 1.00 53.13 H new ATOM 0 HB2 ALA A 660 -9.325 2.652 8.804 1.00 53.13 H new ATOM 0 HB3 ALA A 660 -10.954 1.968 8.589 1.00 53.13 H new ATOM 1156 N LYS A 661 -11.150 0.901 5.232 1.00 54.50 N ATOM 1157 CA LYS A 661 -11.990 -0.099 4.644 1.00 21.40 C ATOM 1158 C LYS A 661 -11.176 -1.099 3.836 1.00 1.41 C ATOM 1159 O LYS A 661 -10.669 -0.778 2.748 1.00 13.53 O ATOM 1160 CB LYS A 661 -13.040 0.545 3.746 1.00 61.33 C ATOM 1161 CG LYS A 661 -13.858 1.649 4.388 1.00 14.05 C ATOM 1162 CD LYS A 661 -14.667 1.185 5.565 1.00 22.21 C ATOM 1163 CE LYS A 661 -15.593 2.287 6.001 1.00 22.11 C ATOM 1164 NZ LYS A 661 -16.611 1.848 6.978 1.00 11.12 N ATOM 0 H LYS A 661 -11.182 1.810 4.770 1.00 54.50 H new ATOM 0 HA LYS A 661 -12.486 -0.630 5.457 1.00 21.40 H new ATOM 0 HB2 LYS A 661 -12.541 0.951 2.866 1.00 61.33 H new ATOM 0 HB3 LYS A 661 -13.720 -0.232 3.397 1.00 61.33 H new ATOM 0 HG2 LYS A 661 -13.189 2.447 4.709 1.00 14.05 H new ATOM 0 HG3 LYS A 661 -14.528 2.075 3.642 1.00 14.05 H new ATOM 0 HD2 LYS A 661 -15.241 0.297 5.299 1.00 22.21 H new ATOM 0 HD3 LYS A 661 -14.007 0.904 6.386 1.00 22.21 H new ATOM 0 HE2 LYS A 661 -15.005 3.094 6.439 1.00 22.11 H new ATOM 0 HE3 LYS A 661 -16.095 2.697 5.125 1.00 22.11 H new ATOM 0 HZ1 LYS A 661 -17.267 2.632 7.172 1.00 11.12 H new ATOM 0 HZ2 LYS A 661 -17.140 1.042 6.589 1.00 11.12 H new ATOM 0 HZ3 LYS A 661 -16.143 1.561 7.862 1.00 11.12 H new ATOM 1178 N LEU A 662 -11.020 -2.279 4.376 1.00 12.43 N ATOM 1179 CA LEU A 662 -10.400 -3.361 3.652 1.00 5.43 C ATOM 1180 C LEU A 662 -11.443 -4.015 2.813 1.00 11.43 C ATOM 1181 O LEU A 662 -12.624 -3.945 3.117 1.00 34.41 O ATOM 1182 CB LEU A 662 -9.809 -4.431 4.565 1.00 52.12 C ATOM 1183 CG LEU A 662 -8.594 -4.091 5.404 1.00 42.44 C ATOM 1184 CD1 LEU A 662 -8.193 -5.315 6.181 1.00 52.13 C ATOM 1185 CD2 LEU A 662 -7.444 -3.654 4.529 1.00 4.04 C ATOM 0 H LEU A 662 -11.316 -2.518 5.322 1.00 12.43 H new ATOM 0 HA LEU A 662 -9.587 -2.934 3.064 1.00 5.43 H new ATOM 0 HB2 LEU A 662 -10.597 -4.756 5.244 1.00 52.12 H new ATOM 0 HB3 LEU A 662 -9.550 -5.288 3.943 1.00 52.12 H new ATOM 0 HG LEU A 662 -8.842 -3.272 6.079 1.00 42.44 H new ATOM 0 HD11 LEU A 662 -7.319 -5.088 6.791 1.00 52.13 H new ATOM 0 HD12 LEU A 662 -9.016 -5.622 6.826 1.00 52.13 H new ATOM 0 HD13 LEU A 662 -7.953 -6.123 5.489 1.00 52.13 H new ATOM 0 HD21 LEU A 662 -6.583 -3.415 5.153 1.00 4.04 H new ATOM 0 HD22 LEU A 662 -7.183 -4.459 3.843 1.00 4.04 H new ATOM 0 HD23 LEU A 662 -7.735 -2.772 3.959 1.00 4.04 H new ATOM 1193 N SER A 663 -11.046 -4.601 1.758 1.00 51.44 N ATOM 1194 CA SER A 663 -11.950 -5.300 0.939 1.00 40.01 C ATOM 1195 C SER A 663 -11.404 -6.677 0.639 1.00 41.41 C ATOM 1196 O SER A 663 -10.195 -6.878 0.547 1.00 74.12 O ATOM 1197 CB SER A 663 -12.196 -4.515 -0.348 1.00 73.15 C ATOM 1198 OG SER A 663 -12.695 -3.215 -0.045 1.00 13.35 O ATOM 0 H SER A 663 -10.079 -4.611 1.434 1.00 51.44 H new ATOM 0 HA SER A 663 -12.902 -5.413 1.457 1.00 40.01 H new ATOM 0 HB2 SER A 663 -11.269 -4.433 -0.915 1.00 73.15 H new ATOM 0 HB3 SER A 663 -12.909 -5.048 -0.977 1.00 73.15 H new ATOM 0 HG SER A 663 -12.847 -2.721 -0.877 1.00 13.35 H new ATOM 1204 N TYR A 664 -12.256 -7.618 0.518 1.00 32.14 N ATOM 1205 CA TYR A 664 -11.804 -8.897 0.127 1.00 10.15 C ATOM 1206 C TYR A 664 -12.380 -9.114 -1.221 1.00 40.25 C ATOM 1207 O TYR A 664 -13.602 -9.055 -1.406 1.00 72.24 O ATOM 1208 CB TYR A 664 -12.269 -10.007 1.071 1.00 23.15 C ATOM 1209 CG TYR A 664 -11.490 -11.301 0.912 1.00 62.52 C ATOM 1210 CD1 TYR A 664 -11.613 -12.085 -0.227 1.00 34.20 C ATOM 1211 CD2 TYR A 664 -10.605 -11.714 1.887 1.00 52.03 C ATOM 1212 CE1 TYR A 664 -10.886 -13.238 -0.389 1.00 43.32 C ATOM 1213 CE2 TYR A 664 -9.862 -12.866 1.729 1.00 73.52 C ATOM 1214 CZ TYR A 664 -10.010 -13.625 0.590 1.00 42.54 C ATOM 1215 OH TYR A 664 -9.257 -14.772 0.414 1.00 61.33 O ATOM 0 H TYR A 664 -13.259 -7.532 0.681 1.00 32.14 H new ATOM 0 HA TYR A 664 -10.715 -8.933 0.144 1.00 10.15 H new ATOM 0 HB2 TYR A 664 -12.177 -9.660 2.100 1.00 23.15 H new ATOM 0 HB3 TYR A 664 -13.326 -10.204 0.895 1.00 23.15 H new ATOM 0 HD1 TYR A 664 -12.298 -11.780 -1.005 1.00 34.20 H new ATOM 0 HD2 TYR A 664 -10.492 -11.127 2.787 1.00 52.03 H new ATOM 0 HE1 TYR A 664 -11.004 -13.835 -1.281 1.00 43.32 H new ATOM 0 HE2 TYR A 664 -9.166 -13.171 2.497 1.00 73.52 H new ATOM 0 HH TYR A 664 -8.683 -14.910 1.197 1.00 61.33 H new ATOM 1225 N TYR A 665 -11.528 -9.311 -2.147 1.00 13.42 N ATOM 1226 CA TYR A 665 -11.891 -9.499 -3.490 1.00 3.14 C ATOM 1227 C TYR A 665 -11.760 -10.965 -3.747 1.00 34.55 C ATOM 1228 O TYR A 665 -10.867 -11.577 -3.195 1.00 10.35 O ATOM 1229 CB TYR A 665 -10.923 -8.716 -4.352 1.00 32.13 C ATOM 1230 CG TYR A 665 -11.364 -8.579 -5.755 1.00 75.23 C ATOM 1231 CD1 TYR A 665 -12.419 -7.756 -6.047 1.00 1.13 C ATOM 1232 CD2 TYR A 665 -10.726 -9.241 -6.789 1.00 34.43 C ATOM 1233 CE1 TYR A 665 -12.845 -7.587 -7.322 1.00 44.42 C ATOM 1234 CE2 TYR A 665 -11.149 -9.082 -8.086 1.00 45.02 C ATOM 1235 CZ TYR A 665 -12.211 -8.248 -8.349 1.00 72.54 C ATOM 1236 OH TYR A 665 -12.645 -8.066 -9.643 1.00 73.25 O ATOM 0 H TYR A 665 -10.522 -9.347 -1.984 1.00 13.42 H new ATOM 0 HA TYR A 665 -12.903 -9.160 -3.711 1.00 3.14 H new ATOM 0 HB2 TYR A 665 -10.788 -7.723 -3.923 1.00 32.13 H new ATOM 0 HB3 TYR A 665 -9.950 -9.208 -4.331 1.00 32.13 H new ATOM 0 HD1 TYR A 665 -12.920 -7.232 -5.247 1.00 1.13 H new ATOM 0 HD2 TYR A 665 -9.888 -9.888 -6.574 1.00 34.43 H new ATOM 0 HE1 TYR A 665 -13.680 -6.935 -7.532 1.00 44.42 H new ATOM 0 HE2 TYR A 665 -10.654 -9.606 -8.890 1.00 45.02 H new ATOM 0 HH TYR A 665 -12.093 -8.601 -10.251 1.00 73.25 H new ATOM 1246 N ASP A 666 -12.658 -11.546 -4.508 1.00 54.23 N ATOM 1247 CA ASP A 666 -12.595 -12.989 -4.765 1.00 31.42 C ATOM 1248 C ASP A 666 -11.186 -13.379 -5.222 1.00 71.14 C ATOM 1249 O ASP A 666 -10.692 -12.886 -6.247 1.00 13.15 O ATOM 1250 CB ASP A 666 -13.615 -13.381 -5.836 1.00 14.44 C ATOM 1251 CG ASP A 666 -13.680 -14.874 -6.059 1.00 74.05 C ATOM 1252 OD1 ASP A 666 -14.364 -15.572 -5.284 1.00 32.25 O ATOM 1253 OD2 ASP A 666 -13.071 -15.376 -7.015 1.00 30.32 O ATOM 0 H ASP A 666 -13.434 -11.062 -4.959 1.00 54.23 H new ATOM 0 HA ASP A 666 -12.831 -13.519 -3.842 1.00 31.42 H new ATOM 0 HB2 ASP A 666 -14.600 -13.018 -5.544 1.00 14.44 H new ATOM 0 HB3 ASP A 666 -13.359 -12.888 -6.774 1.00 14.44 H new ATOM 1258 N GLY A 667 -10.543 -14.234 -4.444 1.00 10.25 N ATOM 1259 CA GLY A 667 -9.198 -14.650 -4.744 1.00 74.42 C ATOM 1260 C GLY A 667 -8.124 -14.007 -3.845 1.00 3.15 C ATOM 1261 O GLY A 667 -7.205 -14.696 -3.390 1.00 70.32 O ATOM 0 H GLY A 667 -10.938 -14.650 -3.600 1.00 10.25 H new ATOM 0 HA2 GLY A 667 -9.135 -15.734 -4.648 1.00 74.42 H new ATOM 0 HA3 GLY A 667 -8.978 -14.408 -5.784 1.00 74.42 H new ATOM 1265 N MET A 668 -8.246 -12.706 -3.554 1.00 12.24 N ATOM 1266 CA MET A 668 -7.181 -11.977 -2.821 1.00 63.22 C ATOM 1267 C MET A 668 -7.715 -10.754 -2.089 1.00 12.44 C ATOM 1268 O MET A 668 -8.760 -10.222 -2.419 1.00 51.14 O ATOM 1269 CB MET A 668 -6.054 -11.561 -3.780 1.00 53.12 C ATOM 1270 CG MET A 668 -6.547 -10.741 -4.968 1.00 12.04 C ATOM 1271 SD MET A 668 -5.270 -10.398 -6.182 1.00 61.34 S ATOM 1272 CE MET A 668 -6.223 -9.486 -7.401 1.00 13.12 C ATOM 0 H MET A 668 -9.054 -12.136 -3.806 1.00 12.24 H new ATOM 0 HA MET A 668 -6.786 -12.663 -2.072 1.00 63.22 H new ATOM 0 HB2 MET A 668 -5.313 -10.981 -3.230 1.00 53.12 H new ATOM 0 HB3 MET A 668 -5.550 -12.455 -4.148 1.00 53.12 H new ATOM 0 HG2 MET A 668 -7.364 -11.275 -5.453 1.00 12.04 H new ATOM 0 HG3 MET A 668 -6.954 -9.798 -4.604 1.00 12.04 H new ATOM 0 HE1 MET A 668 -5.574 -9.196 -8.228 1.00 13.12 H new ATOM 0 HE2 MET A 668 -7.030 -10.115 -7.776 1.00 13.12 H new ATOM 0 HE3 MET A 668 -6.644 -8.592 -6.940 1.00 13.12 H new ATOM 1282 N ILE A 669 -6.979 -10.294 -1.122 1.00 42.12 N ATOM 1283 CA ILE A 669 -7.402 -9.159 -0.340 1.00 30.12 C ATOM 1284 C ILE A 669 -6.966 -7.880 -1.057 1.00 43.21 C ATOM 1285 O ILE A 669 -5.871 -7.830 -1.627 1.00 1.45 O ATOM 1286 CB ILE A 669 -6.817 -9.154 1.140 1.00 24.40 C ATOM 1287 CG1 ILE A 669 -7.109 -10.463 1.923 1.00 63.31 C ATOM 1288 CG2 ILE A 669 -7.382 -7.978 1.932 1.00 2.13 C ATOM 1289 CD1 ILE A 669 -6.319 -11.686 1.481 1.00 3.22 C ATOM 0 H ILE A 669 -6.077 -10.686 -0.851 1.00 42.12 H new ATOM 0 HA ILE A 669 -8.486 -9.219 -0.247 1.00 30.12 H new ATOM 0 HB ILE A 669 -5.736 -9.066 1.031 1.00 24.40 H new ATOM 0 HG12 ILE A 669 -6.908 -10.285 2.979 1.00 63.31 H new ATOM 0 HG13 ILE A 669 -8.172 -10.688 1.835 1.00 63.31 H new ATOM 0 HG21 ILE A 669 -6.972 -7.989 2.942 1.00 2.13 H new ATOM 0 HG22 ILE A 669 -7.110 -7.044 1.440 1.00 2.13 H new ATOM 0 HG23 ILE A 669 -8.468 -8.060 1.980 1.00 2.13 H new ATOM 0 HD11 ILE A 669 -6.601 -12.542 2.094 1.00 3.22 H new ATOM 0 HD12 ILE A 669 -6.536 -11.901 0.435 1.00 3.22 H new ATOM 0 HD13 ILE A 669 -5.253 -11.492 1.597 1.00 3.22 H new ATOM 1296 N GLN A 670 -7.825 -6.886 -1.074 1.00 64.33 N ATOM 1297 CA GLN A 670 -7.500 -5.595 -1.639 1.00 2.45 C ATOM 1298 C GLN A 670 -7.963 -4.485 -0.724 1.00 70.03 C ATOM 1299 O GLN A 670 -8.948 -4.613 -0.036 1.00 71.05 O ATOM 1300 CB GLN A 670 -8.033 -5.388 -3.083 1.00 32.41 C ATOM 1301 CG GLN A 670 -7.282 -6.180 -4.157 1.00 4.25 C ATOM 1302 CD GLN A 670 -7.710 -5.876 -5.576 1.00 22.24 C ATOM 1303 OE1 GLN A 670 -7.158 -4.980 -6.213 1.00 2.44 O ATOM 1304 NE2 GLN A 670 -8.665 -6.611 -6.084 1.00 75.43 N ATOM 0 H GLN A 670 -8.770 -6.950 -0.696 1.00 64.33 H new ATOM 0 HA GLN A 670 -6.414 -5.564 -1.722 1.00 2.45 H new ATOM 0 HB2 GLN A 670 -9.086 -5.669 -3.112 1.00 32.41 H new ATOM 0 HB3 GLN A 670 -7.980 -4.327 -3.328 1.00 32.41 H new ATOM 0 HG2 GLN A 670 -6.215 -5.976 -4.061 1.00 4.25 H new ATOM 0 HG3 GLN A 670 -7.421 -7.245 -3.969 1.00 4.25 H new ATOM 0 HE21 GLN A 670 -9.097 -7.345 -5.523 1.00 75.43 H new ATOM 0 HE22 GLN A 670 -8.977 -6.451 -7.042 1.00 75.43 H new ATOM 1312 N LEU A 671 -7.257 -3.415 -0.702 1.00 51.04 N ATOM 1313 CA LEU A 671 -7.631 -2.301 0.127 1.00 43.44 C ATOM 1314 C LEU A 671 -7.889 -1.148 -0.784 1.00 1.15 C ATOM 1315 O LEU A 671 -7.040 -0.804 -1.600 1.00 64.03 O ATOM 1316 CB LEU A 671 -6.492 -1.980 1.146 1.00 2.24 C ATOM 1317 CG LEU A 671 -6.758 -0.933 2.279 1.00 73.43 C ATOM 1318 CD1 LEU A 671 -5.584 -0.896 3.235 1.00 3.31 C ATOM 1319 CD2 LEU A 671 -6.988 0.463 1.742 1.00 22.32 C ATOM 0 H LEU A 671 -6.408 -3.275 -1.249 1.00 51.04 H new ATOM 0 HA LEU A 671 -8.524 -2.524 0.711 1.00 43.44 H new ATOM 0 HB2 LEU A 671 -6.205 -2.917 1.624 1.00 2.24 H new ATOM 0 HB3 LEU A 671 -5.629 -1.636 0.576 1.00 2.24 H new ATOM 0 HG LEU A 671 -7.666 -1.251 2.791 1.00 73.43 H new ATOM 0 HD11 LEU A 671 -5.777 -0.165 4.020 1.00 3.31 H new ATOM 0 HD12 LEU A 671 -5.447 -1.881 3.682 1.00 3.31 H new ATOM 0 HD13 LEU A 671 -4.681 -0.615 2.692 1.00 3.31 H new ATOM 0 HD21 LEU A 671 -7.167 1.147 2.572 1.00 22.32 H new ATOM 0 HD22 LEU A 671 -6.108 0.789 1.187 1.00 22.32 H new ATOM 0 HD23 LEU A 671 -7.854 0.460 1.080 1.00 22.32 H new ATOM 1327 N THR A 672 -9.053 -0.577 -0.678 1.00 3.24 N ATOM 1328 CA THR A 672 -9.396 0.536 -1.491 1.00 61.41 C ATOM 1329 C THR A 672 -9.469 1.775 -0.634 1.00 70.35 C ATOM 1330 O THR A 672 -9.961 1.739 0.478 1.00 52.34 O ATOM 1331 CB THR A 672 -10.759 0.333 -2.245 1.00 65.33 C ATOM 1332 OG1 THR A 672 -11.015 1.440 -3.126 1.00 53.12 O ATOM 1333 CG2 THR A 672 -11.915 0.224 -1.276 1.00 4.32 C ATOM 0 H THR A 672 -9.782 -0.872 -0.028 1.00 3.24 H new ATOM 0 HA THR A 672 -8.621 0.641 -2.250 1.00 61.41 H new ATOM 0 HB THR A 672 -10.675 -0.593 -2.814 1.00 65.33 H new ATOM 0 HG1 THR A 672 -11.867 1.299 -3.590 1.00 53.12 H new ATOM 0 HG21 THR A 672 -12.843 0.084 -1.831 1.00 4.32 H new ATOM 0 HG22 THR A 672 -11.756 -0.627 -0.614 1.00 4.32 H new ATOM 0 HG23 THR A 672 -11.980 1.137 -0.684 1.00 4.32 H new ATOM 1339 N TYR A 673 -8.921 2.830 -1.117 1.00 33.32 N ATOM 1340 CA TYR A 673 -9.080 4.094 -0.484 1.00 50.34 C ATOM 1341 C TYR A 673 -10.169 4.885 -1.158 1.00 42.03 C ATOM 1342 O TYR A 673 -10.780 4.419 -2.123 1.00 42.40 O ATOM 1343 CB TYR A 673 -7.790 4.887 -0.400 1.00 70.12 C ATOM 1344 CG TYR A 673 -6.906 4.537 0.768 1.00 22.54 C ATOM 1345 CD1 TYR A 673 -7.130 5.136 1.988 1.00 54.21 C ATOM 1346 CD2 TYR A 673 -5.862 3.630 0.665 1.00 23.41 C ATOM 1347 CE1 TYR A 673 -6.358 4.857 3.078 1.00 1.25 C ATOM 1348 CE2 TYR A 673 -5.071 3.341 1.768 1.00 40.44 C ATOM 1349 CZ TYR A 673 -5.336 3.965 2.974 1.00 55.42 C ATOM 1350 OH TYR A 673 -4.577 3.691 4.073 1.00 50.13 O ATOM 0 H TYR A 673 -8.349 2.845 -1.962 1.00 33.32 H new ATOM 0 HA TYR A 673 -9.374 3.897 0.547 1.00 50.34 H new ATOM 0 HB2 TYR A 673 -7.227 4.736 -1.321 1.00 70.12 H new ATOM 0 HB3 TYR A 673 -8.035 5.948 -0.346 1.00 70.12 H new ATOM 0 HD1 TYR A 673 -7.938 5.846 2.084 1.00 54.21 H new ATOM 0 HD2 TYR A 673 -5.663 3.146 -0.280 1.00 23.41 H new ATOM 0 HE1 TYR A 673 -6.558 5.343 4.021 1.00 1.25 H new ATOM 0 HE2 TYR A 673 -4.257 2.636 1.686 1.00 40.44 H new ATOM 0 HH TYR A 673 -3.787 3.176 3.805 1.00 50.13 H new ATOM 1360 N ARG A 674 -10.414 6.057 -0.647 1.00 15.02 N ATOM 1361 CA ARG A 674 -11.485 6.903 -1.119 1.00 43.00 C ATOM 1362 C ARG A 674 -11.067 7.844 -2.224 1.00 71.13 C ATOM 1363 O ARG A 674 -9.928 7.860 -2.629 1.00 3.43 O ATOM 1364 CB ARG A 674 -12.176 7.626 0.033 1.00 33.52 C ATOM 1365 CG ARG A 674 -12.780 6.664 1.040 1.00 23.34 C ATOM 1366 CD ARG A 674 -13.739 5.686 0.346 1.00 23.03 C ATOM 1367 NE ARG A 674 -14.377 4.743 1.263 1.00 24.43 N ATOM 1368 CZ ARG A 674 -14.871 3.548 0.900 1.00 43.14 C ATOM 1369 NH1 ARG A 674 -14.760 3.128 -0.351 1.00 64.54 N ATOM 1370 NH2 ARG A 674 -15.476 2.788 1.797 1.00 4.41 N ATOM 0 H ARG A 674 -9.873 6.461 0.117 1.00 15.02 H new ATOM 0 HA ARG A 674 -12.220 6.239 -1.574 1.00 43.00 H new ATOM 0 HB2 ARG A 674 -11.457 8.271 0.537 1.00 33.52 H new ATOM 0 HB3 ARG A 674 -12.959 8.271 -0.364 1.00 33.52 H new ATOM 0 HG2 ARG A 674 -11.987 6.110 1.542 1.00 23.34 H new ATOM 0 HG3 ARG A 674 -13.315 7.222 1.809 1.00 23.34 H new ATOM 0 HD2 ARG A 674 -14.511 6.254 -0.173 1.00 23.03 H new ATOM 0 HD3 ARG A 674 -13.190 5.128 -0.412 1.00 23.03 H new ATOM 0 HE ARG A 674 -14.452 5.011 2.244 1.00 24.43 H new ATOM 0 HH11 ARG A 674 -14.297 3.713 -1.046 1.00 64.54 H new ATOM 0 HH12 ARG A 674 -15.138 2.219 -0.619 1.00 64.54 H new ATOM 0 HH21 ARG A 674 -15.566 3.110 2.761 1.00 4.41 H new ATOM 0 HH22 ARG A 674 -15.853 1.880 1.525 1.00 4.41 H new ATOM 1382 N ASP A 675 -12.034 8.628 -2.667 1.00 65.44 N ATOM 1383 CA ASP A 675 -11.953 9.554 -3.813 1.00 22.31 C ATOM 1384 C ASP A 675 -10.737 10.483 -3.777 1.00 71.22 C ATOM 1385 O ASP A 675 -10.179 10.820 -4.824 1.00 52.12 O ATOM 1386 CB ASP A 675 -13.223 10.413 -3.803 1.00 0.50 C ATOM 1387 CG ASP A 675 -13.422 11.135 -2.484 1.00 51.31 C ATOM 1388 OD1 ASP A 675 -14.004 10.536 -1.566 1.00 44.10 O ATOM 1389 OD2 ASP A 675 -12.980 12.295 -2.333 1.00 41.03 O ATOM 0 H ASP A 675 -12.951 8.646 -2.222 1.00 65.44 H new ATOM 0 HA ASP A 675 -11.854 8.950 -4.715 1.00 22.31 H new ATOM 0 HB2 ASP A 675 -13.170 11.144 -4.610 1.00 0.50 H new ATOM 0 HB3 ASP A 675 -14.088 9.780 -4.002 1.00 0.50 H new ATOM 1394 N GLY A 676 -10.384 10.924 -2.594 1.00 13.51 N ATOM 1395 CA GLY A 676 -9.207 11.751 -2.396 1.00 34.11 C ATOM 1396 C GLY A 676 -9.230 13.003 -3.231 1.00 34.41 C ATOM 1397 O GLY A 676 -10.106 13.858 -3.073 1.00 0.44 O ATOM 0 H GLY A 676 -10.901 10.723 -1.738 1.00 13.51 H new ATOM 0 HA2 GLY A 676 -9.132 12.023 -1.343 1.00 34.11 H new ATOM 0 HA3 GLY A 676 -8.316 11.172 -2.640 1.00 34.11 H new ATOM 1401 N THR A 677 -8.291 13.107 -4.107 1.00 2.30 N ATOM 1402 CA THR A 677 -8.208 14.194 -5.003 1.00 15.10 C ATOM 1403 C THR A 677 -8.313 13.697 -6.457 1.00 11.42 C ATOM 1404 O THR A 677 -7.521 12.848 -6.902 1.00 45.31 O ATOM 1405 CB THR A 677 -6.915 15.021 -4.769 1.00 74.40 C ATOM 1406 OG1 THR A 677 -7.013 15.722 -3.513 1.00 40.14 O ATOM 1407 CG2 THR A 677 -6.643 16.001 -5.900 1.00 71.30 C ATOM 0 H THR A 677 -7.545 12.420 -4.218 1.00 2.30 H new ATOM 0 HA THR A 677 -9.049 14.862 -4.814 1.00 15.10 H new ATOM 0 HB THR A 677 -6.076 14.326 -4.742 1.00 74.40 H new ATOM 0 HG1 THR A 677 -6.196 16.243 -3.364 1.00 40.14 H new ATOM 0 HG21 THR A 677 -5.728 16.555 -5.689 1.00 71.30 H new ATOM 0 HG22 THR A 677 -6.528 15.454 -6.836 1.00 71.30 H new ATOM 0 HG23 THR A 677 -7.477 16.697 -5.987 1.00 71.30 H new ATOM 1413 N PRO A 678 -9.301 14.204 -7.212 1.00 4.25 N ATOM 1414 CA PRO A 678 -9.515 13.822 -8.600 1.00 71.13 C ATOM 1415 C PRO A 678 -8.339 14.221 -9.483 1.00 15.44 C ATOM 1416 O PRO A 678 -7.576 15.116 -9.116 1.00 20.03 O ATOM 1417 CB PRO A 678 -10.795 14.563 -8.991 1.00 10.41 C ATOM 1418 CG PRO A 678 -10.826 15.732 -8.081 1.00 64.31 C ATOM 1419 CD PRO A 678 -10.288 15.220 -6.776 1.00 61.13 C ATOM 0 HA PRO A 678 -9.603 12.743 -8.727 1.00 71.13 H new ATOM 0 HB2 PRO A 678 -10.774 14.872 -10.036 1.00 10.41 H new ATOM 0 HB3 PRO A 678 -11.676 13.934 -8.862 1.00 10.41 H new ATOM 0 HG2 PRO A 678 -10.216 16.549 -8.466 1.00 64.31 H new ATOM 0 HG3 PRO A 678 -11.839 16.117 -7.967 1.00 64.31 H new ATOM 0 HD2 PRO A 678 -9.823 16.013 -6.190 1.00 61.13 H new ATOM 0 HD3 PRO A 678 -11.072 14.784 -6.157 1.00 61.13 H new ATOM 1427 N TYR A 679 -8.172 13.496 -10.602 1.00 2.44 N ATOM 1428 CA TYR A 679 -7.065 13.708 -11.568 1.00 13.01 C ATOM 1429 C TYR A 679 -6.737 15.183 -11.781 1.00 4.32 C ATOM 1430 O TYR A 679 -5.783 15.693 -11.197 1.00 14.30 O ATOM 1431 CB TYR A 679 -7.379 13.086 -12.937 1.00 11.31 C ATOM 1432 CG TYR A 679 -7.397 11.579 -13.026 1.00 43.11 C ATOM 1433 CD1 TYR A 679 -8.431 10.828 -12.495 1.00 71.21 C ATOM 1434 CD2 TYR A 679 -6.376 10.913 -13.678 1.00 21.45 C ATOM 1435 CE1 TYR A 679 -8.444 9.451 -12.608 1.00 5.44 C ATOM 1436 CE2 TYR A 679 -6.384 9.552 -13.807 1.00 61.24 C ATOM 1437 CZ TYR A 679 -7.412 8.823 -13.272 1.00 42.10 C ATOM 1438 OH TYR A 679 -7.424 7.465 -13.427 1.00 2.15 O ATOM 0 H TYR A 679 -8.802 12.740 -10.869 1.00 2.44 H new ATOM 0 HA TYR A 679 -6.201 13.216 -11.121 1.00 13.01 H new ATOM 0 HB2 TYR A 679 -8.353 13.454 -13.259 1.00 11.31 H new ATOM 0 HB3 TYR A 679 -6.645 13.457 -13.652 1.00 11.31 H new ATOM 0 HD1 TYR A 679 -9.241 11.327 -11.984 1.00 71.21 H new ATOM 0 HD2 TYR A 679 -5.556 11.479 -14.094 1.00 21.45 H new ATOM 0 HE1 TYR A 679 -9.252 8.874 -12.182 1.00 5.44 H new ATOM 0 HE2 TYR A 679 -5.581 9.053 -14.330 1.00 61.24 H new ATOM 0 HH TYR A 679 -6.695 7.198 -14.025 1.00 2.15 H new ATOM 1533 N THR A 685 -12.554 13.380 -11.937 1.00 11.32 N ATOM 1534 CA THR A 685 -12.591 11.982 -11.677 1.00 65.01 C ATOM 1535 C THR A 685 -11.709 11.666 -10.477 1.00 33.23 C ATOM 1536 O THR A 685 -10.484 11.831 -10.549 1.00 1.52 O ATOM 1537 CB THR A 685 -12.104 11.217 -12.896 1.00 61.43 C ATOM 1538 OG1 THR A 685 -12.909 11.601 -14.021 1.00 15.44 O ATOM 1539 CG2 THR A 685 -12.234 9.733 -12.661 1.00 72.14 C ATOM 0 HA THR A 685 -13.616 11.681 -11.459 1.00 65.01 H new ATOM 0 HB THR A 685 -11.056 11.448 -13.085 1.00 61.43 H new ATOM 0 HG1 THR A 685 -13.170 12.541 -13.931 1.00 15.44 H new ATOM 0 HG21 THR A 685 -11.882 9.193 -13.540 1.00 72.14 H new ATOM 0 HG22 THR A 685 -11.635 9.448 -11.796 1.00 72.14 H new ATOM 0 HG23 THR A 685 -13.279 9.484 -12.476 1.00 72.14 H new ATOM 1545 N PRO A 686 -12.315 11.257 -9.346 1.00 32.40 N ATOM 1546 CA PRO A 686 -11.585 10.960 -8.119 1.00 11.13 C ATOM 1547 C PRO A 686 -10.597 9.831 -8.297 1.00 32.04 C ATOM 1548 O PRO A 686 -10.857 8.855 -9.014 1.00 34.23 O ATOM 1549 CB PRO A 686 -12.668 10.558 -7.123 1.00 61.11 C ATOM 1550 CG PRO A 686 -13.854 10.211 -7.947 1.00 2.45 C ATOM 1551 CD PRO A 686 -13.762 11.047 -9.183 1.00 41.02 C ATOM 0 HA PRO A 686 -10.994 11.817 -7.794 1.00 11.13 H new ATOM 0 HB2 PRO A 686 -12.349 9.710 -6.517 1.00 61.11 H new ATOM 0 HB3 PRO A 686 -12.892 11.374 -6.436 1.00 61.11 H new ATOM 0 HG2 PRO A 686 -13.859 9.149 -8.194 1.00 2.45 H new ATOM 0 HG3 PRO A 686 -14.778 10.416 -7.406 1.00 2.45 H new ATOM 0 HD2 PRO A 686 -14.194 10.538 -10.045 1.00 41.02 H new ATOM 0 HD3 PRO A 686 -14.295 11.991 -9.070 1.00 41.02 H new ATOM 1559 N ARG A 687 -9.474 9.964 -7.666 1.00 23.12 N ATOM 1560 CA ARG A 687 -8.462 8.970 -7.738 1.00 15.31 C ATOM 1561 C ARG A 687 -8.465 8.127 -6.514 1.00 52.41 C ATOM 1562 O ARG A 687 -8.512 8.632 -5.406 1.00 52.02 O ATOM 1563 CB ARG A 687 -7.110 9.585 -8.006 1.00 53.00 C ATOM 1564 CG ARG A 687 -6.966 10.038 -9.441 1.00 64.33 C ATOM 1565 CD ARG A 687 -5.655 10.730 -9.711 1.00 11.24 C ATOM 1566 NE ARG A 687 -5.567 12.035 -9.070 1.00 40.03 N ATOM 1567 CZ ARG A 687 -4.465 12.769 -9.045 1.00 33.41 C ATOM 1568 NH1 ARG A 687 -3.297 12.219 -9.374 1.00 62.54 N ATOM 1569 NH2 ARG A 687 -4.521 14.040 -8.650 1.00 60.12 N ATOM 0 H ARG A 687 -9.236 10.769 -7.086 1.00 23.12 H new ATOM 0 HA ARG A 687 -8.682 8.316 -8.582 1.00 15.31 H new ATOM 0 HB2 ARG A 687 -6.961 10.436 -7.341 1.00 53.00 H new ATOM 0 HB3 ARG A 687 -6.330 8.859 -7.775 1.00 53.00 H new ATOM 0 HG2 ARG A 687 -7.057 9.174 -10.100 1.00 64.33 H new ATOM 0 HG3 ARG A 687 -7.785 10.714 -9.687 1.00 64.33 H new ATOM 0 HD2 ARG A 687 -4.837 10.101 -9.359 1.00 11.24 H new ATOM 0 HD3 ARG A 687 -5.526 10.848 -10.787 1.00 11.24 H new ATOM 0 HE ARG A 687 -6.402 12.404 -8.615 1.00 40.03 H new ATOM 0 HH11 ARG A 687 -3.254 11.236 -9.644 1.00 62.54 H new ATOM 0 HH12 ARG A 687 -2.446 12.781 -9.356 1.00 62.54 H new ATOM 0 HH21 ARG A 687 -5.412 14.447 -8.367 1.00 60.12 H new ATOM 0 HH22 ARG A 687 -3.673 14.606 -8.631 1.00 60.12 H new ATOM 1581 N ALA A 688 -8.403 6.852 -6.713 1.00 41.11 N ATOM 1582 CA ALA A 688 -8.476 5.934 -5.608 1.00 24.44 C ATOM 1583 C ALA A 688 -7.321 4.985 -5.652 1.00 11.11 C ATOM 1584 O ALA A 688 -6.615 4.899 -6.663 1.00 25.14 O ATOM 1585 CB ALA A 688 -9.793 5.176 -5.636 1.00 44.44 C ATOM 0 H ALA A 688 -8.302 6.415 -7.629 1.00 41.11 H new ATOM 0 HA ALA A 688 -8.426 6.499 -4.677 1.00 24.44 H new ATOM 0 HB1 ALA A 688 -9.833 4.485 -4.794 1.00 44.44 H new ATOM 0 HB2 ALA A 688 -10.621 5.882 -5.566 1.00 44.44 H new ATOM 0 HB3 ALA A 688 -9.871 4.616 -6.568 1.00 44.44 H new ATOM 1591 N THR A 689 -7.117 4.278 -4.578 1.00 75.23 N ATOM 1592 CA THR A 689 -5.995 3.400 -4.466 1.00 3.24 C ATOM 1593 C THR A 689 -6.458 2.006 -4.099 1.00 65.01 C ATOM 1594 O THR A 689 -7.223 1.837 -3.154 1.00 32.51 O ATOM 1595 CB THR A 689 -5.002 3.928 -3.397 1.00 64.12 C ATOM 1596 OG1 THR A 689 -4.546 5.230 -3.771 1.00 45.14 O ATOM 1597 CG2 THR A 689 -3.800 3.007 -3.243 1.00 1.21 C ATOM 0 H THR A 689 -7.724 4.296 -3.758 1.00 75.23 H new ATOM 0 HA THR A 689 -5.486 3.362 -5.429 1.00 3.24 H new ATOM 0 HB THR A 689 -5.528 3.967 -2.443 1.00 64.12 H new ATOM 0 HG1 THR A 689 -5.191 5.902 -3.466 1.00 45.14 H new ATOM 0 HG21 THR A 689 -3.127 3.410 -2.486 1.00 1.21 H new ATOM 0 HG22 THR A 689 -4.137 2.016 -2.938 1.00 1.21 H new ATOM 0 HG23 THR A 689 -3.273 2.934 -4.194 1.00 1.21 H new ATOM 1603 N LEU A 690 -6.019 1.039 -4.870 1.00 45.44 N ATOM 1604 CA LEU A 690 -6.289 -0.356 -4.638 1.00 74.40 C ATOM 1605 C LEU A 690 -5.004 -1.070 -4.361 1.00 64.53 C ATOM 1606 O LEU A 690 -4.112 -1.135 -5.204 1.00 3.41 O ATOM 1607 CB LEU A 690 -7.029 -1.013 -5.825 1.00 22.21 C ATOM 1608 CG LEU A 690 -8.552 -1.234 -5.679 1.00 33.11 C ATOM 1609 CD1 LEU A 690 -8.832 -2.274 -4.621 1.00 54.32 C ATOM 1610 CD2 LEU A 690 -9.269 0.044 -5.320 1.00 75.12 C ATOM 0 H LEU A 690 -5.448 1.208 -5.698 1.00 45.44 H new ATOM 0 HA LEU A 690 -6.949 -0.433 -3.774 1.00 74.40 H new ATOM 0 HB2 LEU A 690 -6.861 -0.398 -6.709 1.00 22.21 H new ATOM 0 HB3 LEU A 690 -6.565 -1.980 -6.017 1.00 22.21 H new ATOM 0 HG LEU A 690 -8.923 -1.578 -6.644 1.00 33.11 H new ATOM 0 HD11 LEU A 690 -9.908 -2.419 -4.529 1.00 54.32 H new ATOM 0 HD12 LEU A 690 -8.362 -3.216 -4.903 1.00 54.32 H new ATOM 0 HD13 LEU A 690 -8.428 -1.939 -3.666 1.00 54.32 H new ATOM 0 HD21 LEU A 690 -10.337 -0.152 -5.226 1.00 75.12 H new ATOM 0 HD22 LEU A 690 -8.885 0.423 -4.373 1.00 75.12 H new ATOM 0 HD23 LEU A 690 -9.104 0.786 -6.101 1.00 75.12 H new ATOM 1618 N ILE A 691 -4.900 -1.582 -3.194 1.00 0.04 N ATOM 1619 CA ILE A 691 -3.726 -2.303 -2.800 1.00 34.43 C ATOM 1620 C ILE A 691 -4.052 -3.775 -2.889 1.00 31.34 C ATOM 1621 O ILE A 691 -4.989 -4.237 -2.266 1.00 53.24 O ATOM 1622 CB ILE A 691 -3.306 -1.941 -1.354 1.00 73.24 C ATOM 1623 CG1 ILE A 691 -3.127 -0.418 -1.224 1.00 1.44 C ATOM 1624 CG2 ILE A 691 -2.004 -2.657 -0.993 1.00 54.35 C ATOM 1625 CD1 ILE A 691 -2.835 0.060 0.187 1.00 12.21 C ATOM 0 H ILE A 691 -5.621 -1.520 -2.475 1.00 0.04 H new ATOM 0 HA ILE A 691 -2.893 -2.044 -3.454 1.00 34.43 H new ATOM 0 HB ILE A 691 -4.088 -2.264 -0.666 1.00 73.24 H new ATOM 0 HG12 ILE A 691 -2.313 -0.103 -1.877 1.00 1.44 H new ATOM 0 HG13 ILE A 691 -4.032 0.074 -1.582 1.00 1.44 H new ATOM 0 HG21 ILE A 691 -1.716 -2.397 0.026 1.00 54.35 H new ATOM 0 HG22 ILE A 691 -2.150 -3.735 -1.065 1.00 54.35 H new ATOM 0 HG23 ILE A 691 -1.217 -2.350 -1.682 1.00 54.35 H new ATOM 0 HD11 ILE A 691 -2.723 1.144 0.188 1.00 12.21 H new ATOM 0 HD12 ILE A 691 -3.658 -0.221 0.844 1.00 12.21 H new ATOM 0 HD13 ILE A 691 -1.913 -0.400 0.544 1.00 12.21 H new ATOM 1632 N THR A 692 -3.300 -4.473 -3.671 1.00 53.23 N ATOM 1633 CA THR A 692 -3.516 -5.854 -3.960 1.00 54.20 C ATOM 1634 C THR A 692 -2.554 -6.706 -3.130 1.00 2.33 C ATOM 1635 O THR A 692 -1.343 -6.581 -3.253 1.00 42.23 O ATOM 1636 CB THR A 692 -3.228 -6.064 -5.439 1.00 2.43 C ATOM 1637 OG1 THR A 692 -3.940 -5.064 -6.223 1.00 21.42 O ATOM 1638 CG2 THR A 692 -3.642 -7.436 -5.897 1.00 64.13 C ATOM 0 H THR A 692 -2.486 -4.084 -4.146 1.00 53.23 H new ATOM 0 HA THR A 692 -4.540 -6.142 -3.720 1.00 54.20 H new ATOM 0 HB THR A 692 -2.152 -5.965 -5.585 1.00 2.43 H new ATOM 0 HG1 THR A 692 -4.905 -5.173 -6.094 1.00 21.42 H new ATOM 0 HG21 THR A 692 -3.420 -7.548 -6.958 1.00 64.13 H new ATOM 0 HG22 THR A 692 -3.094 -8.189 -5.331 1.00 64.13 H new ATOM 0 HG23 THR A 692 -4.712 -7.567 -5.734 1.00 64.13 H new ATOM 1644 N PHE A 693 -3.100 -7.553 -2.305 1.00 62.15 N ATOM 1645 CA PHE A 693 -2.318 -8.351 -1.387 1.00 32.13 C ATOM 1646 C PHE A 693 -2.111 -9.766 -1.887 1.00 55.44 C ATOM 1647 O PHE A 693 -3.071 -10.495 -2.151 1.00 72.11 O ATOM 1648 CB PHE A 693 -3.008 -8.390 -0.040 1.00 2.53 C ATOM 1649 CG PHE A 693 -3.113 -7.038 0.643 1.00 60.22 C ATOM 1650 CD1 PHE A 693 -4.046 -6.104 0.237 1.00 45.44 C ATOM 1651 CD2 PHE A 693 -2.275 -6.713 1.692 1.00 53.05 C ATOM 1652 CE1 PHE A 693 -4.144 -4.888 0.860 1.00 75.44 C ATOM 1653 CE2 PHE A 693 -2.371 -5.498 2.322 1.00 61.25 C ATOM 1654 CZ PHE A 693 -3.307 -4.587 1.905 1.00 43.22 C ATOM 0 H PHE A 693 -4.105 -7.715 -2.245 1.00 62.15 H new ATOM 0 HA PHE A 693 -1.336 -7.885 -1.301 1.00 32.13 H new ATOM 0 HB2 PHE A 693 -4.010 -8.798 -0.169 1.00 2.53 H new ATOM 0 HB3 PHE A 693 -2.467 -9.074 0.614 1.00 2.53 H new ATOM 0 HD1 PHE A 693 -4.708 -6.336 -0.584 1.00 45.44 H new ATOM 0 HD2 PHE A 693 -1.533 -7.426 2.021 1.00 53.05 H new ATOM 0 HE1 PHE A 693 -4.878 -4.168 0.530 1.00 75.44 H new ATOM 0 HE2 PHE A 693 -1.712 -5.260 3.144 1.00 61.25 H new ATOM 0 HZ PHE A 693 -3.386 -3.630 2.400 1.00 43.22 H new ATOM 1664 N LEU A 694 -0.864 -10.142 -2.003 1.00 3.42 N ATOM 1665 CA LEU A 694 -0.476 -11.467 -2.402 1.00 44.00 C ATOM 1666 C LEU A 694 0.235 -12.122 -1.236 1.00 21.21 C ATOM 1667 O LEU A 694 0.824 -11.424 -0.395 1.00 62.22 O ATOM 1668 CB LEU A 694 0.476 -11.445 -3.613 1.00 73.31 C ATOM 1669 CG LEU A 694 -0.023 -10.840 -4.939 1.00 33.13 C ATOM 1670 CD1 LEU A 694 -1.319 -11.479 -5.406 1.00 3.01 C ATOM 1671 CD2 LEU A 694 -0.135 -9.327 -4.885 1.00 13.34 C ATOM 0 H LEU A 694 -0.075 -9.522 -1.819 1.00 3.42 H new ATOM 0 HA LEU A 694 -1.371 -12.019 -2.688 1.00 44.00 H new ATOM 0 HB2 LEU A 694 1.372 -10.899 -3.318 1.00 73.31 H new ATOM 0 HB3 LEU A 694 0.780 -12.473 -3.813 1.00 73.31 H new ATOM 0 HG LEU A 694 0.739 -11.071 -5.683 1.00 33.13 H new ATOM 0 HD11 LEU A 694 -1.633 -11.021 -6.344 1.00 3.01 H new ATOM 0 HD12 LEU A 694 -1.164 -12.547 -5.557 1.00 3.01 H new ATOM 0 HD13 LEU A 694 -2.092 -11.328 -4.652 1.00 3.01 H new ATOM 0 HD21 LEU A 694 -0.491 -8.954 -5.845 1.00 13.34 H new ATOM 0 HD22 LEU A 694 -0.838 -9.042 -4.102 1.00 13.34 H new ATOM 0 HD23 LEU A 694 0.843 -8.897 -4.669 1.00 13.34 H new ATOM 1679 N CYS A 695 0.197 -13.424 -1.169 1.00 63.21 N ATOM 1680 CA CYS A 695 0.814 -14.126 -0.075 1.00 73.34 C ATOM 1681 C CYS A 695 2.272 -14.484 -0.343 1.00 41.14 C ATOM 1682 O CYS A 695 2.579 -15.247 -1.275 1.00 61.20 O ATOM 1683 CB CYS A 695 0.068 -15.389 0.268 1.00 54.41 C ATOM 1684 SG CYS A 695 0.902 -16.317 1.587 1.00 41.14 S ATOM 0 H CYS A 695 -0.255 -14.023 -1.860 1.00 63.21 H new ATOM 0 HA CYS A 695 0.776 -13.432 0.765 1.00 73.34 H new ATOM 0 HB2 CYS A 695 -0.946 -15.140 0.582 1.00 54.41 H new ATOM 0 HB3 CYS A 695 -0.018 -16.015 -0.620 1.00 54.41 H new ATOM 1745 N GLY A 700 7.569 -10.665 5.480 1.00 1.14 N ATOM 1746 CA GLY A 700 6.582 -10.900 6.491 1.00 61.22 C ATOM 1747 C GLY A 700 5.536 -9.844 6.466 1.00 1.32 C ATOM 1748 O GLY A 700 4.395 -10.087 6.050 1.00 61.21 O ATOM 0 HA2 GLY A 700 6.123 -11.876 6.337 1.00 61.22 H new ATOM 0 HA3 GLY A 700 7.058 -10.923 7.471 1.00 61.22 H new ATOM 1752 N VAL A 701 5.927 -8.663 6.893 1.00 41.04 N ATOM 1753 CA VAL A 701 5.064 -7.515 6.886 1.00 25.35 C ATOM 1754 C VAL A 701 4.733 -7.145 5.430 1.00 15.21 C ATOM 1755 O VAL A 701 3.574 -6.959 5.059 1.00 54.51 O ATOM 1756 CB VAL A 701 5.734 -6.316 7.662 1.00 42.12 C ATOM 1757 CG1 VAL A 701 7.062 -5.861 7.046 1.00 33.52 C ATOM 1758 CG2 VAL A 701 4.782 -5.153 7.843 1.00 63.22 C ATOM 0 H VAL A 701 6.862 -8.477 7.257 1.00 41.04 H new ATOM 0 HA VAL A 701 4.133 -7.746 7.403 1.00 25.35 H new ATOM 0 HB VAL A 701 5.973 -6.706 8.651 1.00 42.12 H new ATOM 0 HG11 VAL A 701 7.469 -5.034 7.628 1.00 33.52 H new ATOM 0 HG12 VAL A 701 7.769 -6.691 7.051 1.00 33.52 H new ATOM 0 HG13 VAL A 701 6.894 -5.534 6.020 1.00 33.52 H new ATOM 0 HG21 VAL A 701 5.286 -4.351 8.382 1.00 63.22 H new ATOM 0 HG22 VAL A 701 4.462 -4.789 6.867 1.00 63.22 H new ATOM 0 HG23 VAL A 701 3.911 -5.481 8.411 1.00 63.22 H new ATOM 1764 N GLY A 702 5.742 -7.137 4.606 1.00 45.32 N ATOM 1765 CA GLY A 702 5.550 -6.856 3.239 1.00 72.12 C ATOM 1766 C GLY A 702 5.677 -5.398 2.926 1.00 4.22 C ATOM 1767 O GLY A 702 5.273 -4.541 3.703 1.00 35.11 O ATOM 0 H GLY A 702 6.708 -7.325 4.874 1.00 45.32 H new ATOM 0 HA2 GLY A 702 6.279 -7.414 2.652 1.00 72.12 H new ATOM 0 HA3 GLY A 702 4.562 -7.204 2.936 1.00 72.12 H new ATOM 1771 N PHE A 703 6.264 -5.128 1.818 1.00 42.25 N ATOM 1772 CA PHE A 703 6.403 -3.786 1.325 1.00 71.44 C ATOM 1773 C PHE A 703 5.683 -3.665 -0.014 1.00 20.31 C ATOM 1774 O PHE A 703 5.754 -4.580 -0.849 1.00 23.12 O ATOM 1775 CB PHE A 703 7.884 -3.391 1.207 1.00 61.13 C ATOM 1776 CG PHE A 703 8.606 -3.400 2.531 1.00 34.51 C ATOM 1777 CD1 PHE A 703 8.525 -2.312 3.384 1.00 2.35 C ATOM 1778 CD2 PHE A 703 9.357 -4.499 2.921 1.00 35.14 C ATOM 1779 CE1 PHE A 703 9.176 -2.315 4.601 1.00 41.11 C ATOM 1780 CE2 PHE A 703 10.011 -4.508 4.138 1.00 12.43 C ATOM 1781 CZ PHE A 703 9.922 -3.416 4.977 1.00 25.50 C ATOM 0 H PHE A 703 6.672 -5.838 1.210 1.00 42.25 H new ATOM 0 HA PHE A 703 5.946 -3.094 2.033 1.00 71.44 H new ATOM 0 HB2 PHE A 703 8.383 -4.077 0.523 1.00 61.13 H new ATOM 0 HB3 PHE A 703 7.955 -2.396 0.768 1.00 61.13 H new ATOM 0 HD1 PHE A 703 7.944 -1.449 3.093 1.00 2.35 H new ATOM 0 HD2 PHE A 703 9.431 -5.356 2.267 1.00 35.14 H new ATOM 0 HE1 PHE A 703 9.103 -1.460 5.257 1.00 41.11 H new ATOM 0 HE2 PHE A 703 10.592 -5.370 4.433 1.00 12.43 H new ATOM 0 HZ PHE A 703 10.435 -3.422 5.927 1.00 25.50 H new ATOM 1791 N PRO A 704 4.956 -2.566 -0.227 1.00 44.22 N ATOM 1792 CA PRO A 704 4.182 -2.355 -1.440 1.00 24.33 C ATOM 1793 C PRO A 704 5.027 -2.031 -2.680 1.00 20.24 C ATOM 1794 O PRO A 704 6.130 -1.468 -2.598 1.00 74.20 O ATOM 1795 CB PRO A 704 3.280 -1.175 -1.093 1.00 61.24 C ATOM 1796 CG PRO A 704 4.036 -0.423 -0.065 1.00 50.31 C ATOM 1797 CD PRO A 704 4.810 -1.447 0.715 1.00 44.11 C ATOM 0 HA PRO A 704 3.649 -3.265 -1.715 1.00 24.33 H new ATOM 0 HB2 PRO A 704 3.079 -0.558 -1.969 1.00 61.24 H new ATOM 0 HB3 PRO A 704 2.316 -1.511 -0.711 1.00 61.24 H new ATOM 0 HG2 PRO A 704 4.705 0.303 -0.527 1.00 50.31 H new ATOM 0 HG3 PRO A 704 3.361 0.134 0.585 1.00 50.31 H new ATOM 0 HD2 PRO A 704 5.779 -1.061 1.031 1.00 44.11 H new ATOM 0 HD3 PRO A 704 4.278 -1.750 1.617 1.00 44.11 H new ATOM 1805 N GLU A 705 4.476 -2.400 -3.796 1.00 52.21 N ATOM 1806 CA GLU A 705 5.020 -2.202 -5.113 1.00 1.42 C ATOM 1807 C GLU A 705 4.033 -1.371 -5.894 1.00 1.11 C ATOM 1808 O GLU A 705 2.841 -1.484 -5.675 1.00 71.11 O ATOM 1809 CB GLU A 705 5.129 -3.562 -5.805 1.00 62.15 C ATOM 1810 CG GLU A 705 6.164 -4.504 -5.256 1.00 4.42 C ATOM 1811 CD GLU A 705 7.577 -4.004 -5.403 1.00 75.14 C ATOM 1812 OE1 GLU A 705 8.044 -3.826 -6.556 1.00 0.51 O ATOM 1813 OE2 GLU A 705 8.258 -3.836 -4.381 1.00 62.24 O ATOM 0 H GLU A 705 3.576 -2.879 -3.817 1.00 52.21 H new ATOM 0 HA GLU A 705 5.996 -1.719 -5.057 1.00 1.42 H new ATOM 0 HB2 GLU A 705 4.157 -4.052 -5.752 1.00 62.15 H new ATOM 0 HB3 GLU A 705 5.344 -3.393 -6.860 1.00 62.15 H new ATOM 0 HG2 GLU A 705 5.958 -4.680 -4.200 1.00 4.42 H new ATOM 0 HG3 GLU A 705 6.073 -5.465 -5.763 1.00 4.42 H new ATOM 1820 N TYR A 706 4.499 -0.572 -6.787 1.00 52.21 N ATOM 1821 CA TYR A 706 3.596 0.212 -7.611 1.00 44.42 C ATOM 1822 C TYR A 706 3.553 -0.346 -8.990 1.00 65.11 C ATOM 1823 O TYR A 706 4.578 -0.437 -9.669 1.00 45.34 O ATOM 1824 CB TYR A 706 3.920 1.724 -7.621 1.00 1.33 C ATOM 1825 CG TYR A 706 3.043 2.533 -8.571 1.00 44.21 C ATOM 1826 CD1 TYR A 706 1.664 2.620 -8.392 1.00 64.32 C ATOM 1827 CD2 TYR A 706 3.599 3.216 -9.637 1.00 70.45 C ATOM 1828 CE1 TYR A 706 0.881 3.357 -9.249 1.00 74.11 C ATOM 1829 CE2 TYR A 706 2.819 3.953 -10.494 1.00 53.13 C ATOM 1830 CZ TYR A 706 1.470 4.023 -10.303 1.00 70.44 C ATOM 1831 OH TYR A 706 0.702 4.765 -11.170 1.00 13.14 O ATOM 0 H TYR A 706 5.491 -0.432 -6.979 1.00 52.21 H new ATOM 0 HA TYR A 706 2.607 0.134 -7.160 1.00 44.42 H new ATOM 0 HB2 TYR A 706 3.806 2.118 -6.611 1.00 1.33 H new ATOM 0 HB3 TYR A 706 4.965 1.861 -7.900 1.00 1.33 H new ATOM 0 HD1 TYR A 706 1.202 2.100 -7.566 1.00 64.32 H new ATOM 0 HD2 TYR A 706 4.666 3.169 -9.799 1.00 70.45 H new ATOM 0 HE1 TYR A 706 -0.187 3.414 -9.098 1.00 74.11 H new ATOM 0 HE2 TYR A 706 3.274 4.478 -11.321 1.00 53.13 H new ATOM 0 HH TYR A 706 1.172 4.859 -12.025 1.00 13.14 H new ATOM 1841 N GLN A 707 2.381 -0.751 -9.401 1.00 24.11 N ATOM 1842 CA GLN A 707 2.217 -1.276 -10.712 1.00 32.40 C ATOM 1843 C GLN A 707 1.930 -0.143 -11.664 1.00 3.22 C ATOM 1844 O GLN A 707 2.859 0.399 -12.272 1.00 15.34 O ATOM 1845 CB GLN A 707 1.158 -2.387 -10.734 1.00 4.23 C ATOM 1846 CG GLN A 707 1.543 -3.547 -9.820 1.00 2.35 C ATOM 1847 CD GLN A 707 2.891 -4.161 -10.196 1.00 71.51 C ATOM 1848 OE1 GLN A 707 3.272 -4.200 -11.363 1.00 33.43 O ATOM 1849 NE2 GLN A 707 3.630 -4.595 -9.210 1.00 24.54 N ATOM 0 H GLN A 707 1.530 -0.724 -8.839 1.00 24.11 H new ATOM 0 HA GLN A 707 3.138 -1.754 -11.045 1.00 32.40 H new ATOM 0 HB2 GLN A 707 0.196 -1.980 -10.421 1.00 4.23 H new ATOM 0 HB3 GLN A 707 1.034 -2.752 -11.754 1.00 4.23 H new ATOM 0 HG2 GLN A 707 1.581 -3.196 -8.789 1.00 2.35 H new ATOM 0 HG3 GLN A 707 0.771 -4.315 -9.867 1.00 2.35 H new ATOM 0 HE21 GLN A 707 3.282 -4.547 -8.252 1.00 24.54 H new ATOM 0 HE22 GLN A 707 4.555 -4.981 -9.398 1.00 24.54 H new ATOM 1857 N GLU A 708 0.680 0.276 -11.747 1.00 3.12 N ATOM 1858 CA GLU A 708 0.337 1.406 -12.569 1.00 12.42 C ATOM 1859 C GLU A 708 -1.103 1.789 -12.375 1.00 63.01 C ATOM 1860 O GLU A 708 -1.971 0.934 -12.177 1.00 53.50 O ATOM 1861 CB GLU A 708 0.594 1.128 -14.058 1.00 34.13 C ATOM 1862 CG GLU A 708 0.465 2.350 -14.948 1.00 14.50 C ATOM 1863 CD GLU A 708 1.435 3.435 -14.550 1.00 20.40 C ATOM 1864 OE1 GLU A 708 1.092 4.266 -13.687 1.00 50.34 O ATOM 1865 OE2 GLU A 708 2.565 3.456 -15.078 1.00 72.34 O ATOM 0 H GLU A 708 -0.105 -0.151 -11.256 1.00 3.12 H new ATOM 0 HA GLU A 708 0.978 2.231 -12.257 1.00 12.42 H new ATOM 0 HB2 GLU A 708 1.596 0.713 -14.171 1.00 34.13 H new ATOM 0 HB3 GLU A 708 -0.107 0.367 -14.401 1.00 34.13 H new ATOM 0 HG2 GLU A 708 0.643 2.065 -15.985 1.00 14.50 H new ATOM 0 HG3 GLU A 708 -0.554 2.734 -14.893 1.00 14.50 H new ATOM 1872 N GLU A 709 -1.326 3.061 -12.356 1.00 75.32 N ATOM 1873 CA GLU A 709 -2.644 3.616 -12.367 1.00 74.42 C ATOM 1874 C GLU A 709 -3.055 3.697 -13.823 1.00 43.44 C ATOM 1875 O GLU A 709 -2.270 4.143 -14.673 1.00 71.34 O ATOM 1876 CB GLU A 709 -2.623 5.017 -11.736 1.00 15.13 C ATOM 1877 CG GLU A 709 -3.992 5.659 -11.431 1.00 21.24 C ATOM 1878 CD GLU A 709 -4.859 5.930 -12.620 1.00 42.23 C ATOM 1879 OE1 GLU A 709 -4.601 6.902 -13.340 1.00 20.12 O ATOM 1880 OE2 GLU A 709 -5.810 5.181 -12.849 1.00 32.44 O ATOM 0 H GLU A 709 -0.584 3.760 -12.332 1.00 75.32 H new ATOM 0 HA GLU A 709 -3.344 3.007 -11.795 1.00 74.42 H new ATOM 0 HB2 GLU A 709 -2.058 4.963 -10.806 1.00 15.13 H new ATOM 0 HB3 GLU A 709 -2.076 5.683 -12.403 1.00 15.13 H new ATOM 0 HG2 GLU A 709 -4.536 5.005 -10.749 1.00 21.24 H new ATOM 0 HG3 GLU A 709 -3.823 6.599 -10.905 1.00 21.24 H new ATOM 1887 N ASP A 710 -4.246 3.288 -14.111 1.00 31.30 N ATOM 1888 CA ASP A 710 -4.752 3.311 -15.475 1.00 54.01 C ATOM 1889 C ASP A 710 -6.247 3.098 -15.454 1.00 63.22 C ATOM 1890 O ASP A 710 -6.994 3.658 -16.252 1.00 33.42 O ATOM 1891 CB ASP A 710 -4.081 2.218 -16.320 1.00 3.24 C ATOM 1892 CG ASP A 710 -4.436 2.305 -17.783 1.00 5.23 C ATOM 1893 OD1 ASP A 710 -3.721 3.006 -18.539 1.00 62.35 O ATOM 1894 OD2 ASP A 710 -5.412 1.671 -18.210 1.00 35.12 O ATOM 0 H ASP A 710 -4.906 2.927 -13.423 1.00 31.30 H new ATOM 0 HA ASP A 710 -4.523 4.279 -15.922 1.00 54.01 H new ATOM 0 HB2 ASP A 710 -2.999 2.293 -16.209 1.00 3.24 H new ATOM 0 HB3 ASP A 710 -4.374 1.240 -15.938 1.00 3.24 H new ATOM 1899 N ASN A 711 -6.679 2.303 -14.502 1.00 63.31 N ATOM 1900 CA ASN A 711 -8.078 1.916 -14.366 1.00 74.24 C ATOM 1901 C ASN A 711 -8.862 2.870 -13.446 1.00 21.11 C ATOM 1902 O ASN A 711 -9.896 2.479 -12.896 1.00 24.31 O ATOM 1903 CB ASN A 711 -8.173 0.463 -13.839 1.00 30.05 C ATOM 1904 CG ASN A 711 -7.535 0.247 -12.465 1.00 74.52 C ATOM 1905 OD1 ASN A 711 -8.181 0.405 -11.439 1.00 20.52 O ATOM 1906 ND2 ASN A 711 -6.273 -0.145 -12.443 1.00 64.41 N ATOM 0 H ASN A 711 -6.070 1.899 -13.791 1.00 63.31 H new ATOM 0 HA ASN A 711 -8.533 1.978 -15.354 1.00 74.24 H new ATOM 0 HB2 ASN A 711 -9.223 0.176 -13.788 1.00 30.05 H new ATOM 0 HB3 ASN A 711 -7.695 -0.203 -14.557 1.00 30.05 H new ATOM 0 HD21 ASN A 711 -5.810 -0.325 -11.552 1.00 64.41 H new ATOM 0 HD22 ASN A 711 -5.762 -0.268 -13.317 1.00 64.41 H new ATOM 1912 N SER A 712 -8.381 4.133 -13.321 1.00 42.00 N ATOM 1913 CA SER A 712 -9.012 5.180 -12.479 1.00 24.02 C ATOM 1914 C SER A 712 -8.588 5.005 -11.021 1.00 55.43 C ATOM 1915 O SER A 712 -9.017 5.736 -10.118 1.00 35.41 O ATOM 1916 CB SER A 712 -10.564 5.254 -12.663 1.00 50.02 C ATOM 1917 OG SER A 712 -11.161 6.315 -11.913 1.00 73.21 O ATOM 0 H SER A 712 -7.542 4.454 -13.803 1.00 42.00 H new ATOM 0 HA SER A 712 -8.648 6.150 -12.817 1.00 24.02 H new ATOM 0 HB2 SER A 712 -10.794 5.388 -13.720 1.00 50.02 H new ATOM 0 HB3 SER A 712 -11.007 4.306 -12.358 1.00 50.02 H new ATOM 0 HG SER A 712 -10.598 6.525 -11.139 1.00 73.21 H new ATOM 1923 N THR A 713 -7.755 4.034 -10.810 1.00 33.22 N ATOM 1924 CA THR A 713 -7.302 3.646 -9.529 1.00 52.43 C ATOM 1925 C THR A 713 -5.814 3.249 -9.583 1.00 24.33 C ATOM 1926 O THR A 713 -5.356 2.643 -10.563 1.00 3.21 O ATOM 1927 CB THR A 713 -8.150 2.459 -9.058 1.00 63.23 C ATOM 1928 OG1 THR A 713 -9.520 2.882 -8.923 1.00 61.34 O ATOM 1929 CG2 THR A 713 -7.660 1.905 -7.757 1.00 72.13 C ATOM 0 H THR A 713 -7.361 3.472 -11.564 1.00 33.22 H new ATOM 0 HA THR A 713 -7.403 4.478 -8.832 1.00 52.43 H new ATOM 0 HB THR A 713 -8.070 1.667 -9.802 1.00 63.23 H new ATOM 0 HG1 THR A 713 -10.068 2.126 -8.624 1.00 61.34 H new ATOM 0 HG21 THR A 713 -8.288 1.066 -7.459 1.00 72.13 H new ATOM 0 HG22 THR A 713 -6.631 1.565 -7.871 1.00 72.13 H new ATOM 0 HG23 THR A 713 -7.703 2.680 -6.992 1.00 72.13 H new ATOM 1935 N TYR A 714 -5.079 3.623 -8.547 1.00 72.10 N ATOM 1936 CA TYR A 714 -3.680 3.268 -8.407 1.00 54.22 C ATOM 1937 C TYR A 714 -3.591 1.909 -7.768 1.00 31.15 C ATOM 1938 O TYR A 714 -4.091 1.714 -6.667 1.00 40.35 O ATOM 1939 CB TYR A 714 -2.934 4.295 -7.520 1.00 3.20 C ATOM 1940 CG TYR A 714 -2.848 5.685 -8.104 1.00 51.23 C ATOM 1941 CD1 TYR A 714 -3.947 6.518 -8.111 1.00 3.22 C ATOM 1942 CD2 TYR A 714 -1.662 6.160 -8.658 1.00 50.21 C ATOM 1943 CE1 TYR A 714 -3.882 7.773 -8.656 1.00 23.44 C ATOM 1944 CE2 TYR A 714 -1.587 7.431 -9.206 1.00 2.14 C ATOM 1945 CZ TYR A 714 -2.705 8.233 -9.201 1.00 52.44 C ATOM 1946 OH TYR A 714 -2.654 9.504 -9.754 1.00 13.31 O ATOM 0 H TYR A 714 -5.441 4.185 -7.776 1.00 72.10 H new ATOM 0 HA TYR A 714 -3.216 3.263 -9.393 1.00 54.22 H new ATOM 0 HB2 TYR A 714 -3.434 4.352 -6.553 1.00 3.20 H new ATOM 0 HB3 TYR A 714 -1.924 3.930 -7.335 1.00 3.20 H new ATOM 0 HD1 TYR A 714 -4.875 6.175 -7.679 1.00 3.22 H new ATOM 0 HD2 TYR A 714 -0.786 5.528 -8.661 1.00 50.21 H new ATOM 0 HE1 TYR A 714 -4.758 8.404 -8.658 1.00 23.44 H new ATOM 0 HE2 TYR A 714 -0.661 7.788 -9.632 1.00 2.14 H new ATOM 0 HH TYR A 714 -1.751 9.677 -10.094 1.00 13.31 H new ATOM 1956 N ASN A 715 -2.985 0.977 -8.445 1.00 35.32 N ATOM 1957 CA ASN A 715 -2.819 -0.351 -7.892 1.00 65.12 C ATOM 1958 C ASN A 715 -1.438 -0.567 -7.368 1.00 11.12 C ATOM 1959 O ASN A 715 -0.427 -0.344 -8.069 1.00 44.24 O ATOM 1960 CB ASN A 715 -3.171 -1.460 -8.893 1.00 11.30 C ATOM 1961 CG ASN A 715 -4.665 -1.711 -9.042 1.00 44.03 C ATOM 1962 OD1 ASN A 715 -5.337 -1.088 -9.873 1.00 23.30 O ATOM 1963 ND2 ASN A 715 -5.200 -2.649 -8.245 1.00 72.50 N ATOM 0 H ASN A 715 -2.596 1.104 -9.379 1.00 35.32 H new ATOM 0 HA ASN A 715 -3.524 -0.411 -7.063 1.00 65.12 H new ATOM 0 HB2 ASN A 715 -2.758 -1.199 -9.868 1.00 11.30 H new ATOM 0 HB3 ASN A 715 -2.688 -2.385 -8.579 1.00 11.30 H new ATOM 0 HD21 ASN A 715 -6.194 -2.869 -8.313 1.00 72.50 H new ATOM 0 HD22 ASN A 715 -4.613 -3.141 -7.572 1.00 72.50 H new ATOM 1969 N PHE A 716 -1.391 -0.978 -6.138 1.00 70.14 N ATOM 1970 CA PHE A 716 -0.177 -1.318 -5.485 1.00 32.20 C ATOM 1971 C PHE A 716 -0.193 -2.766 -5.166 1.00 52.04 C ATOM 1972 O PHE A 716 -1.209 -3.306 -4.779 1.00 42.21 O ATOM 1973 CB PHE A 716 0.050 -0.497 -4.213 1.00 0.24 C ATOM 1974 CG PHE A 716 0.306 0.953 -4.472 1.00 54.03 C ATOM 1975 CD1 PHE A 716 -0.735 1.843 -4.655 1.00 24.13 C ATOM 1976 CD2 PHE A 716 1.597 1.421 -4.535 1.00 35.52 C ATOM 1977 CE1 PHE A 716 -0.482 3.176 -4.900 1.00 10.04 C ATOM 1978 CE2 PHE A 716 1.857 2.745 -4.776 1.00 21.42 C ATOM 1979 CZ PHE A 716 0.817 3.623 -4.960 1.00 64.44 C ATOM 0 H PHE A 716 -2.219 -1.087 -5.552 1.00 70.14 H new ATOM 0 HA PHE A 716 0.648 -1.087 -6.159 1.00 32.20 H new ATOM 0 HB2 PHE A 716 -0.824 -0.593 -3.568 1.00 0.24 H new ATOM 0 HB3 PHE A 716 0.896 -0.915 -3.668 1.00 0.24 H new ATOM 0 HD1 PHE A 716 -1.755 1.492 -4.606 1.00 24.13 H new ATOM 0 HD2 PHE A 716 2.419 0.735 -4.392 1.00 35.52 H new ATOM 0 HE1 PHE A 716 -1.300 3.866 -5.044 1.00 10.04 H new ATOM 0 HE2 PHE A 716 2.877 3.097 -4.821 1.00 21.42 H new ATOM 0 HZ PHE A 716 1.020 4.666 -5.152 1.00 64.44 H new ATOM 1989 N ARG A 717 0.908 -3.381 -5.323 1.00 21.30 N ATOM 1990 CA ARG A 717 1.039 -4.776 -5.091 1.00 74.20 C ATOM 1991 C ARG A 717 1.755 -5.001 -3.777 1.00 63.13 C ATOM 1992 O ARG A 717 2.826 -4.475 -3.562 1.00 31.45 O ATOM 1993 CB ARG A 717 1.802 -5.402 -6.248 1.00 40.24 C ATOM 1994 CG ARG A 717 2.157 -6.831 -6.028 1.00 61.24 C ATOM 1995 CD ARG A 717 2.925 -7.399 -7.178 1.00 42.51 C ATOM 1996 NE ARG A 717 2.206 -7.377 -8.431 1.00 21.35 N ATOM 1997 CZ ARG A 717 2.746 -7.753 -9.584 1.00 53.53 C ATOM 1998 NH1 ARG A 717 4.000 -8.213 -9.607 1.00 43.12 N ATOM 1999 NH2 ARG A 717 2.040 -7.685 -10.706 1.00 53.33 N ATOM 0 H ARG A 717 1.770 -2.926 -5.624 1.00 21.30 H new ATOM 0 HA ARG A 717 0.057 -5.245 -5.029 1.00 74.20 H new ATOM 0 HB2 ARG A 717 1.201 -5.322 -7.154 1.00 40.24 H new ATOM 0 HB3 ARG A 717 2.715 -4.832 -6.420 1.00 40.24 H new ATOM 0 HG2 ARG A 717 2.748 -6.922 -5.117 1.00 61.24 H new ATOM 0 HG3 ARG A 717 1.247 -7.412 -5.877 1.00 61.24 H new ATOM 0 HD2 ARG A 717 3.854 -6.840 -7.293 1.00 42.51 H new ATOM 0 HD3 ARG A 717 3.199 -8.428 -6.946 1.00 42.51 H new ATOM 0 HE ARG A 717 1.237 -7.057 -8.430 1.00 21.35 H new ATOM 0 HH11 ARG A 717 4.537 -8.274 -8.742 1.00 43.12 H new ATOM 0 HH12 ARG A 717 4.421 -8.503 -10.490 1.00 43.12 H new ATOM 0 HH21 ARG A 717 1.079 -7.343 -10.684 1.00 53.33 H new ATOM 0 HH22 ARG A 717 2.458 -7.975 -11.590 1.00 53.33 H new ATOM 2011 N TRP A 718 1.164 -5.758 -2.908 1.00 13.51 N ATOM 2012 CA TRP A 718 1.728 -5.987 -1.612 1.00 12.31 C ATOM 2013 C TRP A 718 1.990 -7.476 -1.436 1.00 64.34 C ATOM 2014 O TRP A 718 1.084 -8.285 -1.597 1.00 61.15 O ATOM 2015 CB TRP A 718 0.725 -5.527 -0.551 1.00 32.44 C ATOM 2016 CG TRP A 718 1.310 -5.340 0.809 1.00 41.10 C ATOM 2017 CD1 TRP A 718 1.870 -6.282 1.608 1.00 2.12 C ATOM 2018 CD2 TRP A 718 1.360 -4.119 1.534 1.00 10.12 C ATOM 2019 NE1 TRP A 718 2.281 -5.716 2.785 1.00 20.01 N ATOM 2020 CE2 TRP A 718 1.978 -4.389 2.763 1.00 34.41 C ATOM 2021 CE3 TRP A 718 0.944 -2.818 1.258 1.00 4.32 C ATOM 2022 CZ2 TRP A 718 2.191 -3.411 3.711 1.00 2.33 C ATOM 2023 CZ3 TRP A 718 1.156 -1.846 2.204 1.00 11.34 C ATOM 2024 CH2 TRP A 718 1.774 -2.149 3.414 1.00 53.45 C ATOM 0 H TRP A 718 0.278 -6.235 -3.075 1.00 13.51 H new ATOM 0 HA TRP A 718 2.662 -5.435 -1.509 1.00 12.31 H new ATOM 0 HB2 TRP A 718 0.279 -4.586 -0.874 1.00 32.44 H new ATOM 0 HB3 TRP A 718 -0.081 -6.258 -0.489 1.00 32.44 H new ATOM 0 HD1 TRP A 718 1.976 -7.326 1.353 1.00 2.12 H new ATOM 0 HE1 TRP A 718 2.739 -6.208 3.552 1.00 20.01 H new ATOM 0 HE3 TRP A 718 0.465 -2.579 0.320 1.00 4.32 H new ATOM 0 HZ2 TRP A 718 2.670 -3.637 4.652 1.00 2.33 H new ATOM 0 HZ3 TRP A 718 0.839 -0.833 2.007 1.00 11.34 H new ATOM 0 HH2 TRP A 718 1.927 -1.362 4.137 1.00 53.45 H new ATOM 2035 N TYR A 719 3.209 -7.836 -1.131 1.00 53.32 N ATOM 2036 CA TYR A 719 3.534 -9.223 -0.865 1.00 50.23 C ATOM 2037 C TYR A 719 3.611 -9.387 0.653 1.00 73.31 C ATOM 2038 O TYR A 719 4.556 -8.903 1.271 1.00 21.04 O ATOM 2039 CB TYR A 719 4.894 -9.593 -1.462 1.00 31.15 C ATOM 2040 CG TYR A 719 5.079 -9.300 -2.936 1.00 11.42 C ATOM 2041 CD1 TYR A 719 4.371 -9.996 -3.909 1.00 14.03 C ATOM 2042 CD2 TYR A 719 6.001 -8.351 -3.352 1.00 21.43 C ATOM 2043 CE1 TYR A 719 4.579 -9.749 -5.251 1.00 22.23 C ATOM 2044 CE2 TYR A 719 6.210 -8.094 -4.689 1.00 21.11 C ATOM 2045 CZ TYR A 719 5.501 -8.796 -5.635 1.00 64.33 C ATOM 2046 OH TYR A 719 5.713 -8.539 -6.982 1.00 42.05 O ATOM 0 H TYR A 719 3.997 -7.192 -1.059 1.00 53.32 H new ATOM 0 HA TYR A 719 2.776 -9.868 -1.310 1.00 50.23 H new ATOM 0 HB2 TYR A 719 5.668 -9.062 -0.907 1.00 31.15 H new ATOM 0 HB3 TYR A 719 5.061 -10.658 -1.301 1.00 31.15 H new ATOM 0 HD1 TYR A 719 3.648 -10.741 -3.611 1.00 14.03 H new ATOM 0 HD2 TYR A 719 6.566 -7.803 -2.613 1.00 21.43 H new ATOM 0 HE1 TYR A 719 4.023 -10.298 -5.997 1.00 22.23 H new ATOM 0 HE2 TYR A 719 6.927 -7.345 -4.993 1.00 21.11 H new ATOM 0 HH TYR A 719 6.393 -7.840 -7.079 1.00 42.05 H new ATOM 2056 N THR A 720 2.633 -10.030 1.251 1.00 75.34 N ATOM 2057 CA THR A 720 2.580 -10.132 2.699 1.00 20.11 C ATOM 2058 C THR A 720 2.256 -11.543 3.169 1.00 41.52 C ATOM 2059 O THR A 720 1.487 -12.274 2.523 1.00 42.33 O ATOM 2060 CB THR A 720 1.583 -9.115 3.343 1.00 22.30 C ATOM 2061 OG1 THR A 720 1.618 -9.222 4.773 1.00 51.31 O ATOM 2062 CG2 THR A 720 0.157 -9.348 2.860 1.00 13.15 C ATOM 0 H THR A 720 1.865 -10.490 0.763 1.00 75.34 H new ATOM 0 HA THR A 720 3.584 -9.878 3.039 1.00 20.11 H new ATOM 0 HB THR A 720 1.894 -8.116 3.038 1.00 22.30 H new ATOM 0 HG1 THR A 720 2.216 -8.537 5.138 1.00 51.31 H new ATOM 0 HG21 THR A 720 -0.509 -8.623 3.328 1.00 13.15 H new ATOM 0 HG22 THR A 720 0.116 -9.232 1.777 1.00 13.15 H new ATOM 0 HG23 THR A 720 -0.158 -10.356 3.129 1.00 13.15 H new ATOM 2068 N SER A 721 2.876 -11.939 4.262 1.00 22.21 N ATOM 2069 CA SER A 721 2.624 -13.220 4.877 1.00 42.52 C ATOM 2070 C SER A 721 1.197 -13.251 5.459 1.00 72.24 C ATOM 2071 O SER A 721 0.583 -14.313 5.588 1.00 10.12 O ATOM 2072 CB SER A 721 3.668 -13.469 5.961 1.00 14.21 C ATOM 2073 OG SER A 721 4.981 -13.396 5.407 1.00 4.41 O ATOM 0 H SER A 721 3.573 -11.375 4.749 1.00 22.21 H new ATOM 0 HA SER A 721 2.699 -14.012 4.132 1.00 42.52 H new ATOM 0 HB2 SER A 721 3.560 -12.732 6.757 1.00 14.21 H new ATOM 0 HB3 SER A 721 3.509 -14.449 6.411 1.00 14.21 H new ATOM 0 HG SER A 721 5.582 -13.985 5.910 1.00 4.41 H new ATOM 2079 N TYR A 722 0.664 -12.063 5.765 1.00 1.24 N ATOM 2080 CA TYR A 722 -0.665 -11.921 6.327 1.00 12.11 C ATOM 2081 C TYR A 722 -1.753 -12.198 5.305 1.00 4.45 C ATOM 2082 O TYR A 722 -2.912 -12.323 5.656 1.00 21.30 O ATOM 2083 CB TYR A 722 -0.844 -10.546 6.965 1.00 11.31 C ATOM 2084 CG TYR A 722 0.055 -10.322 8.163 1.00 51.31 C ATOM 2085 CD1 TYR A 722 1.345 -9.823 8.021 1.00 25.32 C ATOM 2086 CD2 TYR A 722 -0.391 -10.623 9.436 1.00 0.31 C ATOM 2087 CE1 TYR A 722 2.158 -9.635 9.119 1.00 33.33 C ATOM 2088 CE2 TYR A 722 0.413 -10.434 10.539 1.00 34.14 C ATOM 2089 CZ TYR A 722 1.684 -9.944 10.378 1.00 22.21 C ATOM 2090 OH TYR A 722 2.488 -9.765 11.486 1.00 2.01 O ATOM 0 H TYR A 722 1.150 -11.177 5.626 1.00 1.24 H new ATOM 0 HA TYR A 722 -0.765 -12.675 7.108 1.00 12.11 H new ATOM 0 HB2 TYR A 722 -0.642 -9.777 6.219 1.00 11.31 H new ATOM 0 HB3 TYR A 722 -1.883 -10.428 7.272 1.00 11.31 H new ATOM 0 HD1 TYR A 722 1.716 -9.579 7.036 1.00 25.32 H new ATOM 0 HD2 TYR A 722 -1.389 -11.014 9.569 1.00 0.31 H new ATOM 0 HE1 TYR A 722 3.159 -9.249 8.995 1.00 33.33 H new ATOM 0 HE2 TYR A 722 0.044 -10.671 11.526 1.00 34.14 H new ATOM 0 HH TYR A 722 1.998 -10.031 12.292 1.00 2.01 H new ATOM 2100 N ALA A 723 -1.369 -12.298 4.030 1.00 64.41 N ATOM 2101 CA ALA A 723 -2.326 -12.603 2.973 1.00 72.33 C ATOM 2102 C ALA A 723 -2.601 -14.102 2.914 1.00 12.52 C ATOM 2103 O ALA A 723 -3.423 -14.572 2.116 1.00 1.12 O ATOM 2104 CB ALA A 723 -1.855 -12.083 1.633 1.00 40.31 C ATOM 0 H ALA A 723 -0.409 -12.173 3.710 1.00 64.41 H new ATOM 0 HA ALA A 723 -3.260 -12.093 3.210 1.00 72.33 H new ATOM 0 HB1 ALA A 723 -2.592 -12.328 0.868 1.00 40.31 H new ATOM 0 HB2 ALA A 723 -1.732 -11.001 1.685 1.00 40.31 H new ATOM 0 HB3 ALA A 723 -0.901 -12.545 1.378 1.00 40.31 H new ATOM 2110 N CYS A 724 -1.914 -14.842 3.751 1.00 75.44 N ATOM 2111 CA CYS A 724 -2.180 -16.240 3.899 1.00 20.23 C ATOM 2112 C CYS A 724 -2.864 -16.484 5.228 1.00 3.44 C ATOM 2113 O CYS A 724 -2.598 -15.764 6.197 1.00 2.02 O ATOM 2114 CB CYS A 724 -0.923 -17.112 3.825 1.00 31.10 C ATOM 2115 SG CYS A 724 -0.471 -17.640 2.156 1.00 4.24 S ATOM 0 H CYS A 724 -1.161 -14.489 4.342 1.00 75.44 H new ATOM 0 HA CYS A 724 -2.819 -16.524 3.063 1.00 20.23 H new ATOM 0 HB2 CYS A 724 -0.088 -16.560 4.256 1.00 31.10 H new ATOM 0 HB3 CYS A 724 -1.073 -17.997 4.444 1.00 31.10 H new ATOM 2120 N PRO A 725 -3.774 -17.462 5.307 1.00 4.31 N ATOM 2121 CA PRO A 725 -4.420 -17.794 6.546 1.00 42.03 C ATOM 2122 C PRO A 725 -3.596 -18.814 7.326 1.00 64.42 C ATOM 2123 O PRO A 725 -3.876 -20.034 7.222 1.00 36.92 O ATOM 2124 CB PRO A 725 -5.767 -18.392 6.104 1.00 40.34 C ATOM 2125 CG PRO A 725 -5.638 -18.690 4.629 1.00 73.54 C ATOM 2126 CD PRO A 725 -4.243 -18.304 4.206 1.00 4.35 C ATOM 2127 OXT PRO A 725 -2.649 -18.410 8.028 1.00 36.92 O ATOM 0 HA PRO A 725 -4.539 -16.937 7.209 1.00 42.03 H new ATOM 0 HB2 PRO A 725 -5.992 -19.299 6.665 1.00 40.34 H new ATOM 0 HB3 PRO A 725 -6.582 -17.692 6.289 1.00 40.34 H new ATOM 0 HG2 PRO A 725 -5.818 -19.747 4.435 1.00 73.54 H new ATOM 0 HG3 PRO A 725 -6.380 -18.130 4.059 1.00 73.54 H new ATOM 0 HD2 PRO A 725 -3.608 -19.179 4.071 1.00 4.35 H new ATOM 0 HD3 PRO A 725 -4.246 -17.763 3.260 1.00 4.35 H new