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 692 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 711 ASN : amide:sc= -1.65! X(o=-3.8!,f=-3.8) USER MOD Set 1.3: A 715 ASN : amide:sc= -2.13! X(o=-3.8!,f=-3.8) USER MOD Set 2.1: A 644 GLN : amide:sc= -1.11 K(o=-0.59,f=-4!) USER MOD Set 2.2: A 714 TYR OH : rot 108:sc= 0.515 USER MOD Set 3.1: A 663 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 672 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 640 SER OG : rot -150:sc= 0 USER MOD Set 4.2: A 654 ASN : amide:sc= 0.697 K(o=0.7,f=-9!) USER MOD Set 5.1: A 587 THR OG1 : rot 146:sc= 1.11 USER MOD Set 5.2: A 598 GLN : amide:sc= -0.039 X(o=1.1,f=0.7) USER MOD Single : A 591 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 593 THR OG1 : rot -71:sc= 0.429 USER MOD Single : A 597 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot -68:sc= -0.19 USER MOD Single : A 609 THR OG1 : rot -92:sc= 1.21 USER MOD Single : A 610 LYS NZ :NH3+ -170:sc=-0.00281 (180deg=-0.102) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 20:sc= 0.419 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -45:sc= 1.49 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot -102:sc= 1.26 USER MOD Single : A 624 HIS : no HD1:sc= -2.03! C(o=-2!,f=-6.8!) USER MOD Single : A 626 ASN : amide:sc= 1.38 K(o=1.4,f=-4.8!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 646 SER OG : rot 161:sc= 2.21 USER MOD Single : A 648 SER OG : rot -140:sc= -2.13! USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 154:sc= 1.23 USER MOD Single : A 658 SER OG : rot 35:sc= 0.00141 USER MOD Single : A 659 ASN : amide:sc= -0.0443 K(o=-0.044,f=-5.6!) USER MOD Single : A 661 LYS NZ :NH3+ -172:sc=-0.00699 (180deg=-0.135) USER MOD Single : A 664 TYR OH : rot 167:sc= 0.0174 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 670 GLN :FLIP amide:sc= -1.39 F(o=-2.4,f=-1.4) USER MOD Single : A 673 TYR OH : rot -145:sc= 1.23 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 679 TYR OH : rot -161:sc= -1.4! USER MOD Single : A 685 THR OG1 : rot 25:sc= 0.155 USER MOD Single : A 689 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.454 USER MOD Single : A 707 GLN : amide:sc= 0.798 K(o=0.8,f=-0.48) USER MOD Single : A 712 SER OG : rot 13:sc= 1.11 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= -0.0967 USER MOD Single : A 720 THR OG1 : rot 103:sc= 1.13 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -16.023 -8.462 -0.822 1.00 12.40 N ATOM 137 CA THR A 587 -16.476 -8.336 0.515 1.00 44.34 C ATOM 138 C THR A 587 -15.812 -7.102 1.112 1.00 2.03 C ATOM 139 O THR A 587 -14.607 -6.941 0.998 1.00 23.35 O ATOM 140 CB THR A 587 -16.050 -9.579 1.301 1.00 2.11 C ATOM 141 OG1 THR A 587 -16.476 -10.765 0.609 1.00 62.42 O ATOM 142 CG2 THR A 587 -16.634 -9.582 2.688 1.00 72.33 C ATOM 0 HA THR A 587 -17.561 -8.241 0.555 1.00 44.34 H new ATOM 0 HB THR A 587 -14.963 -9.562 1.383 1.00 2.11 H new ATOM 0 HG1 THR A 587 -15.813 -11.475 0.737 1.00 62.42 H new ATOM 0 HG21 THR A 587 -16.311 -10.479 3.217 1.00 72.33 H new ATOM 0 HG22 THR A 587 -16.293 -8.699 3.228 1.00 72.33 H new ATOM 0 HG23 THR A 587 -17.722 -9.571 2.625 1.00 72.33 H new ATOM 148 N GLU A 588 -16.567 -6.226 1.698 1.00 73.31 N ATOM 149 CA GLU A 588 -15.974 -5.063 2.304 1.00 53.32 C ATOM 150 C GLU A 588 -15.979 -5.233 3.801 1.00 64.43 C ATOM 151 O GLU A 588 -17.028 -5.441 4.403 1.00 35.42 O ATOM 152 CB GLU A 588 -16.690 -3.787 1.883 1.00 13.02 C ATOM 153 CG GLU A 588 -16.046 -2.517 2.418 1.00 3.22 C ATOM 154 CD GLU A 588 -16.754 -1.282 1.959 1.00 10.52 C ATOM 155 OE1 GLU A 588 -17.771 -0.923 2.572 1.00 13.51 O ATOM 156 OE2 GLU A 588 -16.305 -0.649 0.970 1.00 62.21 O ATOM 0 H GLU A 588 -17.582 -6.287 1.772 1.00 73.31 H new ATOM 0 HA GLU A 588 -14.944 -4.967 1.960 1.00 53.32 H new ATOM 0 HB2 GLU A 588 -16.717 -3.739 0.794 1.00 13.02 H new ATOM 0 HB3 GLU A 588 -17.724 -3.831 2.226 1.00 13.02 H new ATOM 0 HG2 GLU A 588 -16.042 -2.546 3.508 1.00 3.22 H new ATOM 0 HG3 GLU A 588 -15.005 -2.477 2.096 1.00 3.22 H new ATOM 163 N GLY A 589 -14.814 -5.161 4.384 1.00 5.13 N ATOM 164 CA GLY A 589 -14.654 -5.373 5.788 1.00 33.22 C ATOM 165 C GLY A 589 -14.826 -4.115 6.588 1.00 63.14 C ATOM 166 O GLY A 589 -15.440 -3.151 6.127 1.00 31.35 O ATOM 0 H GLY A 589 -13.946 -4.952 3.891 1.00 5.13 H new ATOM 0 HA2 GLY A 589 -15.379 -6.114 6.124 1.00 33.22 H new ATOM 0 HA3 GLY A 589 -13.664 -5.787 5.978 1.00 33.22 H new ATOM 170 N ASP A 590 -14.261 -4.105 7.763 1.00 60.52 N ATOM 171 CA ASP A 590 -14.429 -3.012 8.699 1.00 10.44 C ATOM 172 C ASP A 590 -13.097 -2.350 8.990 1.00 73.31 C ATOM 173 O ASP A 590 -12.151 -2.504 8.216 1.00 0.20 O ATOM 174 CB ASP A 590 -15.076 -3.524 9.994 1.00 11.21 C ATOM 175 CG ASP A 590 -16.466 -4.066 9.774 1.00 70.21 C ATOM 176 OD1 ASP A 590 -17.422 -3.263 9.701 1.00 51.21 O ATOM 177 OD2 ASP A 590 -16.632 -5.297 9.653 1.00 22.43 O ATOM 0 H ASP A 590 -13.665 -4.858 8.107 1.00 60.52 H new ATOM 0 HA ASP A 590 -15.086 -2.266 8.253 1.00 10.44 H new ATOM 0 HB2 ASP A 590 -14.449 -4.305 10.424 1.00 11.21 H new ATOM 0 HB3 ASP A 590 -15.117 -2.712 10.720 1.00 11.21 H new ATOM 182 N ASN A 591 -13.039 -1.600 10.099 1.00 12.22 N ATOM 183 CA ASN A 591 -11.846 -0.838 10.518 1.00 4.23 C ATOM 184 C ASN A 591 -10.582 -1.685 10.565 1.00 65.24 C ATOM 185 O ASN A 591 -10.366 -2.458 11.513 1.00 55.24 O ATOM 186 CB ASN A 591 -12.062 -0.185 11.903 1.00 12.25 C ATOM 187 CG ASN A 591 -10.844 0.610 12.407 1.00 70.02 C ATOM 188 OD1 ASN A 591 -10.083 1.189 11.630 1.00 0.24 O ATOM 189 ND2 ASN A 591 -10.651 0.625 13.711 1.00 1.30 N ATOM 0 H ASN A 591 -13.826 -1.502 10.740 1.00 12.22 H new ATOM 0 HA ASN A 591 -11.707 -0.069 9.758 1.00 4.23 H new ATOM 0 HB2 ASN A 591 -12.923 0.481 11.851 1.00 12.25 H new ATOM 0 HB3 ASN A 591 -12.303 -0.962 12.628 1.00 12.25 H new ATOM 0 HD21 ASN A 591 -9.853 1.126 14.103 1.00 1.30 H new ATOM 0 HD22 ASN A 591 -11.299 0.136 14.328 1.00 1.30 H new ATOM 195 N CYS A 592 -9.801 -1.589 9.491 1.00 75.24 N ATOM 196 CA CYS A 592 -8.466 -2.147 9.378 1.00 54.12 C ATOM 197 C CYS A 592 -8.470 -3.688 9.466 1.00 1.52 C ATOM 198 O CYS A 592 -7.416 -4.328 9.557 1.00 61.03 O ATOM 199 CB CYS A 592 -7.581 -1.524 10.457 1.00 5.35 C ATOM 200 SG CYS A 592 -5.815 -1.497 10.066 1.00 63.40 S ATOM 0 H CYS A 592 -10.097 -1.100 8.646 1.00 75.24 H new ATOM 0 HA CYS A 592 -8.064 -1.906 8.394 1.00 54.12 H new ATOM 0 HB2 CYS A 592 -7.915 -0.502 10.636 1.00 5.35 H new ATOM 0 HB3 CYS A 592 -7.725 -2.074 11.387 1.00 5.35 H new ATOM 205 N THR A 593 -9.650 -4.278 9.387 1.00 62.21 N ATOM 206 CA THR A 593 -9.790 -5.703 9.460 1.00 72.51 C ATOM 207 C THR A 593 -10.835 -6.156 8.459 1.00 53.53 C ATOM 208 O THR A 593 -11.810 -5.447 8.211 1.00 35.23 O ATOM 209 CB THR A 593 -10.230 -6.116 10.889 1.00 44.14 C ATOM 210 OG1 THR A 593 -11.345 -5.299 11.308 1.00 1.43 O ATOM 211 CG2 THR A 593 -9.097 -5.977 11.891 1.00 63.32 C ATOM 0 H THR A 593 -10.530 -3.775 9.271 1.00 62.21 H new ATOM 0 HA THR A 593 -8.833 -6.172 9.230 1.00 72.51 H new ATOM 0 HB THR A 593 -10.523 -7.165 10.857 1.00 44.14 H new ATOM 0 HG1 THR A 593 -11.035 -4.385 11.478 1.00 1.43 H new ATOM 0 HG21 THR A 593 -9.446 -6.276 12.879 1.00 63.32 H new ATOM 0 HG22 THR A 593 -8.266 -6.616 11.591 1.00 63.32 H new ATOM 0 HG23 THR A 593 -8.764 -4.939 11.922 1.00 63.32 H new ATOM 217 N VAL A 594 -10.636 -7.299 7.873 1.00 33.22 N ATOM 218 CA VAL A 594 -11.597 -7.810 6.947 1.00 72.34 C ATOM 219 C VAL A 594 -11.973 -9.250 7.240 1.00 51.33 C ATOM 220 O VAL A 594 -11.116 -10.134 7.269 1.00 24.35 O ATOM 221 CB VAL A 594 -11.161 -7.621 5.455 1.00 60.43 C ATOM 222 CG1 VAL A 594 -9.844 -8.325 5.137 1.00 24.43 C ATOM 223 CG2 VAL A 594 -12.261 -8.061 4.498 1.00 72.13 C ATOM 0 H VAL A 594 -9.819 -7.892 8.020 1.00 33.22 H new ATOM 0 HA VAL A 594 -12.495 -7.208 7.090 1.00 72.34 H new ATOM 0 HB VAL A 594 -10.992 -6.554 5.313 1.00 60.43 H new ATOM 0 HG11 VAL A 594 -9.588 -8.162 4.090 1.00 24.43 H new ATOM 0 HG12 VAL A 594 -9.054 -7.922 5.771 1.00 24.43 H new ATOM 0 HG13 VAL A 594 -9.949 -9.394 5.323 1.00 24.43 H new ATOM 0 HG21 VAL A 594 -11.928 -7.917 3.470 1.00 72.13 H new ATOM 0 HG22 VAL A 594 -12.486 -9.115 4.663 1.00 72.13 H new ATOM 0 HG23 VAL A 594 -13.157 -7.466 4.675 1.00 72.13 H new ATOM 229 N PHE A 595 -13.216 -9.486 7.507 1.00 1.35 N ATOM 230 CA PHE A 595 -13.676 -10.837 7.575 1.00 44.12 C ATOM 231 C PHE A 595 -14.510 -11.128 6.381 1.00 5.20 C ATOM 232 O PHE A 595 -15.481 -10.424 6.097 1.00 34.42 O ATOM 233 CB PHE A 595 -14.408 -11.209 8.880 1.00 23.23 C ATOM 234 CG PHE A 595 -14.992 -12.615 8.841 1.00 75.12 C ATOM 235 CD1 PHE A 595 -14.217 -13.691 8.431 1.00 4.40 C ATOM 236 CD2 PHE A 595 -16.319 -12.848 9.170 1.00 72.24 C ATOM 237 CE1 PHE A 595 -14.737 -14.958 8.351 1.00 23.35 C ATOM 238 CE2 PHE A 595 -16.849 -14.124 9.092 1.00 62.44 C ATOM 239 CZ PHE A 595 -16.055 -15.180 8.681 1.00 15.01 C ATOM 0 H PHE A 595 -13.924 -8.773 7.680 1.00 1.35 H new ATOM 0 HA PHE A 595 -12.788 -11.469 7.581 1.00 44.12 H new ATOM 0 HB2 PHE A 595 -13.714 -11.130 9.717 1.00 23.23 H new ATOM 0 HB3 PHE A 595 -15.208 -10.492 9.061 1.00 23.23 H new ATOM 0 HD1 PHE A 595 -13.182 -13.527 8.169 1.00 4.40 H new ATOM 0 HD2 PHE A 595 -16.944 -12.027 9.490 1.00 72.24 H new ATOM 0 HE1 PHE A 595 -14.114 -15.779 8.030 1.00 23.35 H new ATOM 0 HE2 PHE A 595 -17.883 -14.296 9.352 1.00 62.44 H new ATOM 0 HZ PHE A 595 -16.468 -16.176 8.619 1.00 15.01 H new ATOM 249 N ASP A 596 -14.123 -12.136 5.678 1.00 10.34 N ATOM 250 CA ASP A 596 -14.809 -12.532 4.507 1.00 35.41 C ATOM 251 C ASP A 596 -15.599 -13.790 4.790 1.00 4.11 C ATOM 252 O ASP A 596 -15.034 -14.828 5.140 1.00 33.00 O ATOM 253 CB ASP A 596 -13.822 -12.766 3.393 1.00 33.44 C ATOM 254 CG ASP A 596 -14.498 -13.043 2.107 1.00 62.22 C ATOM 255 OD1 ASP A 596 -15.130 -14.044 2.019 1.00 31.04 O ATOM 256 OD2 ASP A 596 -14.419 -12.230 1.177 1.00 52.31 O ATOM 0 H ASP A 596 -13.312 -12.712 5.906 1.00 10.34 H new ATOM 0 HA ASP A 596 -15.497 -11.745 4.200 1.00 35.41 H new ATOM 0 HB2 ASP A 596 -13.182 -11.891 3.285 1.00 33.44 H new ATOM 0 HB3 ASP A 596 -13.175 -13.604 3.651 1.00 33.44 H new ATOM 261 N SER A 597 -16.894 -13.687 4.652 1.00 31.14 N ATOM 262 CA SER A 597 -17.793 -14.777 4.911 1.00 64.21 C ATOM 263 C SER A 597 -17.697 -15.910 3.868 1.00 73.53 C ATOM 264 O SER A 597 -17.850 -17.086 4.212 1.00 1.24 O ATOM 265 CB SER A 597 -19.208 -14.234 5.036 1.00 54.14 C ATOM 266 OG SER A 597 -19.526 -13.397 3.930 1.00 11.25 O ATOM 0 H SER A 597 -17.360 -12.830 4.352 1.00 31.14 H new ATOM 0 HA SER A 597 -17.498 -15.241 5.852 1.00 64.21 H new ATOM 0 HB2 SER A 597 -19.917 -15.061 5.088 1.00 54.14 H new ATOM 0 HB3 SER A 597 -19.306 -13.671 5.964 1.00 54.14 H new ATOM 0 HG SER A 597 -20.441 -13.059 4.028 1.00 11.25 H new ATOM 272 N GLN A 598 -17.407 -15.568 2.611 1.00 22.10 N ATOM 273 CA GLN A 598 -17.360 -16.568 1.563 1.00 52.42 C ATOM 274 C GLN A 598 -16.035 -17.315 1.601 1.00 63.33 C ATOM 275 O GLN A 598 -15.969 -18.508 1.282 1.00 71.45 O ATOM 276 CB GLN A 598 -17.583 -15.949 0.167 1.00 40.31 C ATOM 277 CG GLN A 598 -16.611 -14.853 -0.166 1.00 74.43 C ATOM 278 CD GLN A 598 -16.671 -14.302 -1.551 1.00 54.00 C ATOM 279 OE1 GLN A 598 -17.034 -14.990 -2.506 1.00 31.52 O ATOM 280 NE2 GLN A 598 -16.281 -13.060 -1.680 1.00 3.34 N ATOM 0 H GLN A 598 -17.205 -14.616 2.305 1.00 22.10 H new ATOM 0 HA GLN A 598 -18.173 -17.271 1.746 1.00 52.42 H new ATOM 0 HB2 GLN A 598 -17.505 -16.733 -0.586 1.00 40.31 H new ATOM 0 HB3 GLN A 598 -18.597 -15.553 0.112 1.00 40.31 H new ATOM 0 HG2 GLN A 598 -16.771 -14.033 0.534 1.00 74.43 H new ATOM 0 HG3 GLN A 598 -15.602 -15.228 0.007 1.00 74.43 H new ATOM 0 HE21 GLN A 598 -15.989 -12.529 -0.859 1.00 3.34 H new ATOM 0 HE22 GLN A 598 -16.269 -12.622 -2.601 1.00 3.34 H new ATOM 288 N ALA A 599 -14.989 -16.620 1.987 1.00 63.30 N ATOM 289 CA ALA A 599 -13.684 -17.203 2.072 1.00 64.24 C ATOM 290 C ALA A 599 -13.505 -17.882 3.412 1.00 62.24 C ATOM 291 O ALA A 599 -12.698 -18.793 3.556 1.00 11.23 O ATOM 292 CB ALA A 599 -12.646 -16.108 1.915 1.00 42.14 C ATOM 0 H ALA A 599 -15.027 -15.635 2.249 1.00 63.30 H new ATOM 0 HA ALA A 599 -13.565 -17.945 1.283 1.00 64.24 H new ATOM 0 HB1 ALA A 599 -11.648 -16.541 1.978 1.00 42.14 H new ATOM 0 HB2 ALA A 599 -12.771 -15.624 0.946 1.00 42.14 H new ATOM 0 HB3 ALA A 599 -12.772 -15.371 2.708 1.00 42.14 H new ATOM 298 N GLY A 600 -14.299 -17.458 4.376 1.00 62.54 N ATOM 299 CA GLY A 600 -14.305 -18.081 5.685 1.00 2.13 C ATOM 300 C GLY A 600 -13.077 -17.751 6.523 1.00 62.04 C ATOM 301 O GLY A 600 -12.785 -18.435 7.509 1.00 43.52 O ATOM 0 H GLY A 600 -14.951 -16.680 4.276 1.00 62.54 H new ATOM 0 HA2 GLY A 600 -15.198 -17.765 6.224 1.00 2.13 H new ATOM 0 HA3 GLY A 600 -14.372 -19.162 5.563 1.00 2.13 H new ATOM 305 N PHE A 601 -12.365 -16.719 6.148 1.00 74.15 N ATOM 306 CA PHE A 601 -11.177 -16.314 6.871 1.00 40.20 C ATOM 307 C PHE A 601 -11.205 -14.838 7.175 1.00 10.24 C ATOM 308 O PHE A 601 -11.727 -14.031 6.389 1.00 2.24 O ATOM 309 CB PHE A 601 -9.881 -16.687 6.128 1.00 53.23 C ATOM 310 CG PHE A 601 -9.590 -18.164 6.054 1.00 61.31 C ATOM 311 CD1 PHE A 601 -8.921 -18.797 7.091 1.00 63.24 C ATOM 312 CD2 PHE A 601 -9.975 -18.914 4.958 1.00 10.01 C ATOM 313 CE1 PHE A 601 -8.647 -20.148 7.036 1.00 60.25 C ATOM 314 CE2 PHE A 601 -9.703 -20.269 4.897 1.00 74.12 C ATOM 315 CZ PHE A 601 -9.038 -20.886 5.936 1.00 3.22 C ATOM 0 H PHE A 601 -12.586 -16.137 5.340 1.00 74.15 H new ATOM 0 HA PHE A 601 -11.181 -16.865 7.811 1.00 40.20 H new ATOM 0 HB2 PHE A 601 -9.935 -16.292 5.114 1.00 53.23 H new ATOM 0 HB3 PHE A 601 -9.043 -16.191 6.619 1.00 53.23 H new ATOM 0 HD1 PHE A 601 -8.611 -18.225 7.953 1.00 63.24 H new ATOM 0 HD2 PHE A 601 -10.494 -18.436 4.140 1.00 10.01 H new ATOM 0 HE1 PHE A 601 -8.127 -20.628 7.852 1.00 60.25 H new ATOM 0 HE2 PHE A 601 -10.011 -20.844 4.036 1.00 74.12 H new ATOM 0 HZ PHE A 601 -8.824 -21.943 5.890 1.00 3.22 H new ATOM 325 N SER A 602 -10.677 -14.493 8.311 1.00 63.21 N ATOM 326 CA SER A 602 -10.604 -13.140 8.744 1.00 45.45 C ATOM 327 C SER A 602 -9.158 -12.687 8.697 1.00 42.51 C ATOM 328 O SER A 602 -8.260 -13.376 9.197 1.00 41.44 O ATOM 329 CB SER A 602 -11.170 -13.027 10.164 1.00 11.14 C ATOM 330 OG SER A 602 -11.135 -11.696 10.645 1.00 15.42 O ATOM 0 H SER A 602 -10.279 -15.161 8.971 1.00 63.21 H new ATOM 0 HA SER A 602 -11.195 -12.499 8.089 1.00 45.45 H new ATOM 0 HB2 SER A 602 -12.198 -13.389 10.174 1.00 11.14 H new ATOM 0 HB3 SER A 602 -10.599 -13.670 10.834 1.00 11.14 H new ATOM 0 HG SER A 602 -11.506 -11.666 11.552 1.00 15.42 H new ATOM 336 N PHE A 603 -8.936 -11.548 8.107 1.00 10.04 N ATOM 337 CA PHE A 603 -7.619 -11.018 7.959 1.00 1.02 C ATOM 338 C PHE A 603 -7.491 -9.675 8.649 1.00 64.22 C ATOM 339 O PHE A 603 -8.241 -8.728 8.368 1.00 30.12 O ATOM 340 CB PHE A 603 -7.218 -10.940 6.475 1.00 40.33 C ATOM 341 CG PHE A 603 -7.049 -12.297 5.811 1.00 30.13 C ATOM 342 CD1 PHE A 603 -8.124 -12.975 5.244 1.00 21.42 C ATOM 343 CD2 PHE A 603 -5.806 -12.891 5.766 1.00 32.30 C ATOM 344 CE1 PHE A 603 -7.939 -14.211 4.651 1.00 4.12 C ATOM 345 CE2 PHE A 603 -5.619 -14.122 5.175 1.00 13.21 C ATOM 346 CZ PHE A 603 -6.686 -14.782 4.618 1.00 65.21 C ATOM 0 H PHE A 603 -9.671 -10.960 7.714 1.00 10.04 H new ATOM 0 HA PHE A 603 -6.923 -11.700 8.447 1.00 1.02 H new ATOM 0 HB2 PHE A 603 -7.975 -10.373 5.933 1.00 40.33 H new ATOM 0 HB3 PHE A 603 -6.283 -10.386 6.390 1.00 40.33 H new ATOM 0 HD1 PHE A 603 -9.109 -12.533 5.267 1.00 21.42 H new ATOM 0 HD2 PHE A 603 -4.960 -12.381 6.203 1.00 32.30 H new ATOM 0 HE1 PHE A 603 -8.779 -14.729 4.213 1.00 4.12 H new ATOM 0 HE2 PHE A 603 -4.635 -14.566 5.150 1.00 13.21 H new ATOM 0 HZ PHE A 603 -6.543 -15.747 4.155 1.00 65.21 H new ATOM 356 N ASP A 604 -6.568 -9.615 9.565 1.00 45.15 N ATOM 357 CA ASP A 604 -6.269 -8.418 10.328 1.00 53.31 C ATOM 358 C ASP A 604 -4.952 -7.867 9.840 1.00 10.53 C ATOM 359 O ASP A 604 -3.908 -8.532 9.965 1.00 35.32 O ATOM 360 CB ASP A 604 -6.146 -8.788 11.806 1.00 41.33 C ATOM 361 CG ASP A 604 -5.779 -7.629 12.702 1.00 21.14 C ATOM 362 OD1 ASP A 604 -4.641 -7.149 12.629 1.00 33.54 O ATOM 363 OD2 ASP A 604 -6.605 -7.222 13.529 1.00 53.52 O ATOM 0 H ASP A 604 -5.983 -10.412 9.815 1.00 45.15 H new ATOM 0 HA ASP A 604 -7.058 -7.677 10.204 1.00 53.31 H new ATOM 0 HB2 ASP A 604 -7.093 -9.210 12.144 1.00 41.33 H new ATOM 0 HB3 ASP A 604 -5.393 -9.569 11.913 1.00 41.33 H new ATOM 368 N LEU A 605 -4.979 -6.695 9.273 1.00 51.41 N ATOM 369 CA LEU A 605 -3.773 -6.115 8.731 1.00 35.34 C ATOM 370 C LEU A 605 -3.247 -4.955 9.575 1.00 52.35 C ATOM 371 O LEU A 605 -2.461 -4.150 9.105 1.00 30.12 O ATOM 372 CB LEU A 605 -3.970 -5.724 7.265 1.00 1.24 C ATOM 373 CG LEU A 605 -4.377 -6.878 6.319 1.00 54.12 C ATOM 374 CD1 LEU A 605 -4.418 -6.419 4.890 1.00 21.42 C ATOM 375 CD2 LEU A 605 -3.445 -8.070 6.457 1.00 1.20 C ATOM 0 H LEU A 605 -5.816 -6.121 9.172 1.00 51.41 H new ATOM 0 HA LEU A 605 -2.999 -6.881 8.769 1.00 35.34 H new ATOM 0 HB2 LEU A 605 -4.734 -4.948 7.213 1.00 1.24 H new ATOM 0 HB3 LEU A 605 -3.043 -5.284 6.896 1.00 1.24 H new ATOM 0 HG LEU A 605 -5.378 -7.193 6.613 1.00 54.12 H new ATOM 0 HD11 LEU A 605 -4.707 -7.252 4.249 1.00 21.42 H new ATOM 0 HD12 LEU A 605 -5.144 -5.613 4.787 1.00 21.42 H new ATOM 0 HD13 LEU A 605 -3.432 -6.059 4.595 1.00 21.42 H new ATOM 0 HD21 LEU A 605 -3.762 -8.861 5.777 1.00 1.20 H new ATOM 0 HD22 LEU A 605 -2.427 -7.767 6.211 1.00 1.20 H new ATOM 0 HD23 LEU A 605 -3.476 -8.439 7.482 1.00 1.20 H new ATOM 383 N THR A 606 -3.622 -4.928 10.834 1.00 42.33 N ATOM 384 CA THR A 606 -3.219 -3.844 11.731 1.00 5.35 C ATOM 385 C THR A 606 -1.671 -3.782 11.986 1.00 21.51 C ATOM 386 O THR A 606 -1.114 -2.690 12.069 1.00 44.35 O ATOM 387 CB THR A 606 -3.998 -3.836 13.079 1.00 64.14 C ATOM 388 OG1 THR A 606 -3.778 -5.050 13.812 1.00 15.24 O ATOM 389 CG2 THR A 606 -5.483 -3.649 12.848 1.00 40.02 C ATOM 0 H THR A 606 -4.207 -5.641 11.270 1.00 42.33 H new ATOM 0 HA THR A 606 -3.493 -2.938 11.190 1.00 5.35 H new ATOM 0 HB THR A 606 -3.621 -2.997 13.664 1.00 64.14 H new ATOM 0 HG1 THR A 606 -4.202 -5.798 13.342 1.00 15.24 H new ATOM 0 HG21 THR A 606 -6.003 -3.647 13.806 1.00 40.02 H new ATOM 0 HG22 THR A 606 -5.656 -2.700 12.340 1.00 40.02 H new ATOM 0 HG23 THR A 606 -5.861 -4.465 12.232 1.00 40.02 H new ATOM 395 N PRO A 607 -0.932 -4.958 12.126 1.00 0.31 N ATOM 396 CA PRO A 607 0.542 -4.955 12.249 1.00 50.02 C ATOM 397 C PRO A 607 1.209 -4.298 11.034 1.00 42.03 C ATOM 398 O PRO A 607 2.371 -3.887 11.086 1.00 63.11 O ATOM 399 CB PRO A 607 0.904 -6.443 12.295 1.00 41.54 C ATOM 400 CG PRO A 607 -0.317 -7.107 12.807 1.00 32.11 C ATOM 401 CD PRO A 607 -1.465 -6.339 12.238 1.00 41.45 C ATOM 0 HA PRO A 607 0.878 -4.393 13.121 1.00 50.02 H new ATOM 0 HB2 PRO A 607 1.174 -6.816 11.307 1.00 41.54 H new ATOM 0 HB3 PRO A 607 1.758 -6.624 12.948 1.00 41.54 H new ATOM 0 HG2 PRO A 607 -0.353 -8.152 12.498 1.00 32.11 H new ATOM 0 HG3 PRO A 607 -0.341 -7.096 13.897 1.00 32.11 H new ATOM 0 HD2 PRO A 607 -1.770 -6.732 11.268 1.00 41.45 H new ATOM 0 HD3 PRO A 607 -2.339 -6.381 12.888 1.00 41.45 H new ATOM 409 N LEU A 608 0.465 -4.217 9.947 1.00 44.00 N ATOM 410 CA LEU A 608 0.944 -3.650 8.708 1.00 23.30 C ATOM 411 C LEU A 608 0.838 -2.131 8.709 1.00 24.32 C ATOM 412 O LEU A 608 1.454 -1.474 7.897 1.00 1.35 O ATOM 413 CB LEU A 608 0.190 -4.222 7.497 1.00 51.44 C ATOM 414 CG LEU A 608 0.451 -5.685 7.112 1.00 43.31 C ATOM 415 CD1 LEU A 608 -0.045 -6.645 8.169 1.00 2.10 C ATOM 416 CD2 LEU A 608 -0.178 -5.995 5.768 1.00 44.01 C ATOM 0 H LEU A 608 -0.499 -4.548 9.903 1.00 44.00 H new ATOM 0 HA LEU A 608 1.996 -3.925 8.625 1.00 23.30 H new ATOM 0 HB2 LEU A 608 -0.878 -4.112 7.686 1.00 51.44 H new ATOM 0 HB3 LEU A 608 0.427 -3.602 6.633 1.00 51.44 H new ATOM 0 HG LEU A 608 1.530 -5.819 7.037 1.00 43.31 H new ATOM 0 HD11 LEU A 608 0.160 -7.669 7.856 1.00 2.10 H new ATOM 0 HD12 LEU A 608 0.466 -6.445 9.111 1.00 2.10 H new ATOM 0 HD13 LEU A 608 -1.119 -6.515 8.304 1.00 2.10 H new ATOM 0 HD21 LEU A 608 0.015 -7.036 5.507 1.00 44.01 H new ATOM 0 HD22 LEU A 608 -1.254 -5.828 5.823 1.00 44.01 H new ATOM 0 HD23 LEU A 608 0.252 -5.345 5.006 1.00 44.01 H new ATOM 424 N THR A 609 0.061 -1.601 9.600 1.00 31.14 N ATOM 425 CA THR A 609 -0.113 -0.172 9.719 1.00 11.11 C ATOM 426 C THR A 609 1.116 0.455 10.366 1.00 24.31 C ATOM 427 O THR A 609 1.588 0.002 11.417 1.00 23.41 O ATOM 428 CB THR A 609 -1.367 0.127 10.555 1.00 34.32 C ATOM 429 OG1 THR A 609 -2.484 -0.558 9.976 1.00 13.25 O ATOM 430 CG2 THR A 609 -1.660 1.620 10.606 1.00 43.13 C ATOM 0 H THR A 609 -0.478 -2.144 10.274 1.00 31.14 H new ATOM 0 HA THR A 609 -0.237 0.258 8.725 1.00 11.11 H new ATOM 0 HB THR A 609 -1.193 -0.216 11.575 1.00 34.32 H new ATOM 0 HG1 THR A 609 -2.933 0.032 9.335 1.00 13.25 H new ATOM 0 HG21 THR A 609 -2.553 1.795 11.205 1.00 43.13 H new ATOM 0 HG22 THR A 609 -0.814 2.142 11.054 1.00 43.13 H new ATOM 0 HG23 THR A 609 -1.822 1.994 9.595 1.00 43.13 H new ATOM 436 N LYS A 610 1.642 1.473 9.738 1.00 21.25 N ATOM 437 CA LYS A 610 2.795 2.152 10.246 1.00 21.31 C ATOM 438 C LYS A 610 2.553 3.641 10.289 1.00 45.21 C ATOM 439 O LYS A 610 1.951 4.202 9.385 1.00 73.11 O ATOM 440 CB LYS A 610 4.022 1.882 9.363 1.00 23.14 C ATOM 441 CG LYS A 610 4.556 0.460 9.380 1.00 62.12 C ATOM 442 CD LYS A 610 5.770 0.321 8.464 1.00 32.11 C ATOM 443 CE LYS A 610 6.389 -1.077 8.523 1.00 62.23 C ATOM 444 NZ LYS A 610 6.952 -1.393 9.857 1.00 53.01 N ATOM 0 H LYS A 610 1.281 1.851 8.862 1.00 21.25 H new ATOM 0 HA LYS A 610 2.981 1.777 11.252 1.00 21.31 H new ATOM 0 HB2 LYS A 610 3.769 2.141 8.335 1.00 23.14 H new ATOM 0 HB3 LYS A 610 4.823 2.553 9.673 1.00 23.14 H new ATOM 0 HG2 LYS A 610 4.830 0.183 10.398 1.00 62.12 H new ATOM 0 HG3 LYS A 610 3.774 -0.230 9.061 1.00 62.12 H new ATOM 0 HD2 LYS A 610 5.475 0.541 7.438 1.00 32.11 H new ATOM 0 HD3 LYS A 610 6.520 1.060 8.745 1.00 32.11 H new ATOM 0 HE2 LYS A 610 5.631 -1.817 8.268 1.00 62.23 H new ATOM 0 HE3 LYS A 610 7.176 -1.154 7.773 1.00 62.23 H new ATOM 0 HZ1 LYS A 610 7.505 -2.272 9.801 1.00 53.01 H new ATOM 0 HZ2 LYS A 610 7.569 -0.615 10.167 1.00 53.01 H new ATOM 0 HZ3 LYS A 610 6.178 -1.514 10.541 1.00 53.01 H new ATOM 458 N LYS A 611 3.056 4.266 11.317 1.00 15.35 N ATOM 459 CA LYS A 611 3.009 5.710 11.486 1.00 44.44 C ATOM 460 C LYS A 611 3.953 6.318 10.480 1.00 54.24 C ATOM 461 O LYS A 611 3.728 7.395 9.930 1.00 43.14 O ATOM 462 CB LYS A 611 3.519 6.044 12.864 1.00 45.33 C ATOM 463 CG LYS A 611 3.344 7.493 13.274 1.00 25.41 C ATOM 464 CD LYS A 611 3.917 7.728 14.648 1.00 41.21 C ATOM 465 CE LYS A 611 3.789 9.172 15.061 1.00 2.11 C ATOM 466 NZ LYS A 611 4.390 9.419 16.384 1.00 72.42 N ATOM 0 H LYS A 611 3.523 3.783 12.084 1.00 15.35 H new ATOM 0 HA LYS A 611 1.994 6.084 11.353 1.00 44.44 H new ATOM 0 HB2 LYS A 611 3.006 5.412 13.589 1.00 45.33 H new ATOM 0 HB3 LYS A 611 4.578 5.792 12.915 1.00 45.33 H new ATOM 0 HG2 LYS A 611 3.838 8.143 12.552 1.00 25.41 H new ATOM 0 HG3 LYS A 611 2.286 7.754 13.266 1.00 25.41 H new ATOM 0 HD2 LYS A 611 3.403 7.095 15.371 1.00 41.21 H new ATOM 0 HD3 LYS A 611 4.967 7.437 14.660 1.00 41.21 H new ATOM 0 HE2 LYS A 611 4.272 9.807 14.318 1.00 2.11 H new ATOM 0 HE3 LYS A 611 2.736 9.452 15.082 1.00 2.11 H new ATOM 0 HZ1 LYS A 611 4.282 10.423 16.632 1.00 72.42 H new ATOM 0 HZ2 LYS A 611 3.912 8.832 17.097 1.00 72.42 H new ATOM 0 HZ3 LYS A 611 5.401 9.176 16.357 1.00 72.42 H new ATOM 480 N ASP A 612 5.022 5.595 10.273 1.00 43.01 N ATOM 481 CA ASP A 612 6.077 5.946 9.343 1.00 34.44 C ATOM 482 C ASP A 612 5.606 5.749 7.910 1.00 24.21 C ATOM 483 O ASP A 612 6.189 6.304 6.968 1.00 53.50 O ATOM 484 CB ASP A 612 7.302 5.057 9.592 1.00 3.51 C ATOM 485 CG ASP A 612 7.920 5.213 10.963 1.00 43.24 C ATOM 486 OD1 ASP A 612 8.601 6.239 11.219 1.00 2.13 O ATOM 487 OD2 ASP A 612 7.730 4.317 11.811 1.00 2.13 O ATOM 0 H ASP A 612 5.193 4.716 10.760 1.00 43.01 H new ATOM 0 HA ASP A 612 6.340 6.993 9.495 1.00 34.44 H new ATOM 0 HB2 ASP A 612 7.013 4.015 9.454 1.00 3.51 H new ATOM 0 HB3 ASP A 612 8.057 5.281 8.839 1.00 3.51 H new ATOM 492 N ALA A 613 4.537 4.947 7.767 1.00 52.24 N ATOM 493 CA ALA A 613 3.925 4.596 6.486 1.00 3.32 C ATOM 494 C ALA A 613 4.879 3.812 5.588 1.00 24.21 C ATOM 495 O ALA A 613 5.998 3.479 5.982 1.00 23.34 O ATOM 496 CB ALA A 613 3.400 5.835 5.775 1.00 72.51 C ATOM 0 H ALA A 613 4.067 4.517 8.563 1.00 52.24 H new ATOM 0 HA ALA A 613 3.080 3.942 6.703 1.00 3.32 H new ATOM 0 HB1 ALA A 613 2.950 5.546 4.825 1.00 72.51 H new ATOM 0 HB2 ALA A 613 2.650 6.322 6.399 1.00 72.51 H new ATOM 0 HB3 ALA A 613 4.223 6.525 5.591 1.00 72.51 H new ATOM 502 N TYR A 614 4.417 3.479 4.416 1.00 10.34 N ATOM 503 CA TYR A 614 5.222 2.789 3.433 1.00 45.14 C ATOM 504 C TYR A 614 5.453 3.691 2.257 1.00 51.24 C ATOM 505 O TYR A 614 4.492 4.211 1.672 1.00 4.04 O ATOM 506 CB TYR A 614 4.522 1.512 2.950 1.00 75.23 C ATOM 507 CG TYR A 614 4.365 0.436 3.999 1.00 41.54 C ATOM 508 CD1 TYR A 614 3.545 0.623 5.089 1.00 20.51 C ATOM 509 CD2 TYR A 614 5.031 -0.780 3.880 1.00 23.45 C ATOM 510 CE1 TYR A 614 3.391 -0.344 6.022 1.00 34.51 C ATOM 511 CE2 TYR A 614 4.879 -1.767 4.820 1.00 0.23 C ATOM 512 CZ TYR A 614 4.054 -1.541 5.895 1.00 53.32 C ATOM 513 OH TYR A 614 3.884 -2.504 6.847 1.00 33.21 O ATOM 0 H TYR A 614 3.465 3.678 4.108 1.00 10.34 H new ATOM 0 HA TYR A 614 6.171 2.517 3.896 1.00 45.14 H new ATOM 0 HB2 TYR A 614 3.535 1.777 2.572 1.00 75.23 H new ATOM 0 HB3 TYR A 614 5.085 1.102 2.111 1.00 75.23 H new ATOM 0 HD1 TYR A 614 3.016 1.558 5.201 1.00 20.51 H new ATOM 0 HD2 TYR A 614 5.679 -0.949 3.033 1.00 23.45 H new ATOM 0 HE1 TYR A 614 2.744 -0.175 6.870 1.00 34.51 H new ATOM 0 HE2 TYR A 614 5.400 -2.707 4.717 1.00 0.23 H new ATOM 0 HH TYR A 614 3.061 -2.326 7.349 1.00 33.21 H new ATOM 523 N LYS A 615 6.692 3.909 1.922 1.00 5.10 N ATOM 524 CA LYS A 615 7.004 4.670 0.758 1.00 42.42 C ATOM 525 C LYS A 615 7.469 3.740 -0.339 1.00 21.51 C ATOM 526 O LYS A 615 8.434 2.978 -0.179 1.00 4.32 O ATOM 527 CB LYS A 615 8.080 5.741 0.999 1.00 73.40 C ATOM 528 CG LYS A 615 8.385 6.560 -0.246 1.00 1.01 C ATOM 529 CD LYS A 615 9.755 7.263 -0.161 1.00 41.10 C ATOM 530 CE LYS A 615 9.937 8.164 1.051 1.00 32.43 C ATOM 531 NZ LYS A 615 11.243 8.861 1.029 1.00 21.53 N ATOM 0 H LYS A 615 7.500 3.568 2.442 1.00 5.10 H new ATOM 0 HA LYS A 615 6.092 5.193 0.472 1.00 42.42 H new ATOM 0 HB2 LYS A 615 7.750 6.408 1.796 1.00 73.40 H new ATOM 0 HB3 LYS A 615 8.995 5.259 1.345 1.00 73.40 H new ATOM 0 HG2 LYS A 615 8.366 5.909 -1.120 1.00 1.01 H new ATOM 0 HG3 LYS A 615 7.604 7.307 -0.388 1.00 1.01 H new ATOM 0 HD2 LYS A 615 10.537 6.504 -0.152 1.00 41.10 H new ATOM 0 HD3 LYS A 615 9.899 7.858 -1.063 1.00 41.10 H new ATOM 0 HE2 LYS A 615 9.133 8.900 1.081 1.00 32.43 H new ATOM 0 HE3 LYS A 615 9.858 7.569 1.961 1.00 32.43 H new ATOM 0 HZ1 LYS A 615 11.328 9.465 1.871 1.00 21.53 H new ATOM 0 HZ2 LYS A 615 12.011 8.160 1.026 1.00 21.53 H new ATOM 0 HZ3 LYS A 615 11.308 9.449 0.174 1.00 21.53 H new ATOM 545 N VAL A 616 6.793 3.811 -1.418 1.00 62.10 N ATOM 546 CA VAL A 616 7.108 3.077 -2.602 1.00 70.20 C ATOM 547 C VAL A 616 7.782 4.072 -3.511 1.00 43.44 C ATOM 548 O VAL A 616 7.376 5.229 -3.554 1.00 21.43 O ATOM 549 CB VAL A 616 5.814 2.578 -3.284 1.00 71.14 C ATOM 550 CG1 VAL A 616 6.118 1.725 -4.506 1.00 0.13 C ATOM 551 CG2 VAL A 616 4.929 1.825 -2.304 1.00 12.41 C ATOM 0 H VAL A 616 5.969 4.404 -1.516 1.00 62.10 H new ATOM 0 HA VAL A 616 7.730 2.209 -2.382 1.00 70.20 H new ATOM 0 HB VAL A 616 5.268 3.458 -3.623 1.00 71.14 H new ATOM 0 HG11 VAL A 616 5.184 1.392 -4.959 1.00 0.13 H new ATOM 0 HG12 VAL A 616 6.683 2.313 -5.229 1.00 0.13 H new ATOM 0 HG13 VAL A 616 6.705 0.857 -4.207 1.00 0.13 H new ATOM 0 HG21 VAL A 616 4.027 1.487 -2.814 1.00 12.41 H new ATOM 0 HG22 VAL A 616 5.470 0.963 -1.914 1.00 12.41 H new ATOM 0 HG23 VAL A 616 4.655 2.484 -1.481 1.00 12.41 H new ATOM 557 N GLU A 617 8.784 3.673 -4.208 1.00 64.42 N ATOM 558 CA GLU A 617 9.521 4.616 -5.001 1.00 45.43 C ATOM 559 C GLU A 617 9.589 4.216 -6.429 1.00 10.11 C ATOM 560 O GLU A 617 9.580 3.033 -6.762 1.00 55.44 O ATOM 561 CB GLU A 617 10.926 4.798 -4.455 1.00 64.21 C ATOM 562 CG GLU A 617 10.974 5.400 -3.076 1.00 42.13 C ATOM 563 CD GLU A 617 12.364 5.470 -2.552 1.00 2.22 C ATOM 564 OE1 GLU A 617 13.057 6.475 -2.799 1.00 1.43 O ATOM 565 OE2 GLU A 617 12.793 4.517 -1.890 1.00 63.52 O ATOM 0 H GLU A 617 9.118 2.710 -4.252 1.00 64.42 H new ATOM 0 HA GLU A 617 8.984 5.563 -4.942 1.00 45.43 H new ATOM 0 HB2 GLU A 617 11.425 3.829 -4.435 1.00 64.21 H new ATOM 0 HB3 GLU A 617 11.490 5.433 -5.137 1.00 64.21 H new ATOM 0 HG2 GLU A 617 10.544 6.401 -3.101 1.00 42.13 H new ATOM 0 HG3 GLU A 617 10.360 4.807 -2.399 1.00 42.13 H new ATOM 572 N THR A 618 9.641 5.196 -7.265 1.00 40.11 N ATOM 573 CA THR A 618 9.827 5.002 -8.648 1.00 53.50 C ATOM 574 C THR A 618 11.015 5.856 -9.003 1.00 20.13 C ATOM 575 O THR A 618 11.694 6.361 -8.089 1.00 41.33 O ATOM 576 CB THR A 618 8.577 5.437 -9.466 1.00 42.43 C ATOM 577 OG1 THR A 618 8.334 6.824 -9.272 1.00 42.11 O ATOM 578 CG2 THR A 618 7.341 4.664 -9.026 1.00 43.44 C ATOM 0 H THR A 618 9.552 6.175 -6.992 1.00 40.11 H new ATOM 0 HA THR A 618 9.983 3.949 -8.883 1.00 53.50 H new ATOM 0 HB THR A 618 8.775 5.229 -10.517 1.00 42.43 H new ATOM 0 HG1 THR A 618 8.420 7.041 -8.320 1.00 42.11 H new ATOM 0 HG21 THR A 618 6.482 4.987 -9.613 1.00 43.44 H new ATOM 0 HG22 THR A 618 7.505 3.597 -9.180 1.00 43.44 H new ATOM 0 HG23 THR A 618 7.150 4.853 -7.970 1.00 43.44 H new ATOM 584 N ASP A 619 11.270 6.049 -10.261 1.00 60.11 N ATOM 585 CA ASP A 619 12.403 6.847 -10.667 1.00 60.22 C ATOM 586 C ASP A 619 12.290 8.301 -10.201 1.00 44.43 C ATOM 587 O ASP A 619 13.257 8.859 -9.676 1.00 53.35 O ATOM 588 CB ASP A 619 12.669 6.750 -12.175 1.00 11.11 C ATOM 589 CG ASP A 619 13.101 5.362 -12.602 1.00 12.21 C ATOM 590 OD1 ASP A 619 14.297 5.039 -12.466 1.00 75.52 O ATOM 591 OD2 ASP A 619 12.243 4.575 -13.062 1.00 63.01 O ATOM 0 H ASP A 619 10.715 5.669 -11.028 1.00 60.11 H new ATOM 0 HA ASP A 619 13.272 6.424 -10.163 1.00 60.22 H new ATOM 0 HB2 ASP A 619 11.766 7.029 -12.718 1.00 11.11 H new ATOM 0 HB3 ASP A 619 13.441 7.468 -12.451 1.00 11.11 H new ATOM 596 N LYS A 620 11.112 8.922 -10.354 1.00 25.02 N ATOM 597 CA LYS A 620 10.983 10.334 -9.948 1.00 42.13 C ATOM 598 C LYS A 620 9.838 10.561 -8.959 1.00 4.44 C ATOM 599 O LYS A 620 9.666 11.667 -8.435 1.00 61.02 O ATOM 600 CB LYS A 620 10.794 11.306 -11.149 1.00 44.12 C ATOM 601 CG LYS A 620 11.817 11.226 -12.300 1.00 12.11 C ATOM 602 CD LYS A 620 11.558 10.041 -13.238 1.00 23.44 C ATOM 603 CE LYS A 620 10.212 10.183 -13.961 1.00 4.43 C ATOM 604 NZ LYS A 620 9.913 9.025 -14.825 1.00 73.00 N ATOM 0 H LYS A 620 10.268 8.496 -10.738 1.00 25.02 H new ATOM 0 HA LYS A 620 11.933 10.558 -9.462 1.00 42.13 H new ATOM 0 HB2 LYS A 620 9.803 11.133 -11.568 1.00 44.12 H new ATOM 0 HB3 LYS A 620 10.803 12.325 -10.761 1.00 44.12 H new ATOM 0 HG2 LYS A 620 11.786 12.152 -12.874 1.00 12.11 H new ATOM 0 HG3 LYS A 620 12.821 11.142 -11.884 1.00 12.11 H new ATOM 0 HD2 LYS A 620 12.361 9.973 -13.972 1.00 23.44 H new ATOM 0 HD3 LYS A 620 11.569 9.113 -12.666 1.00 23.44 H new ATOM 0 HE2 LYS A 620 9.417 10.298 -13.224 1.00 4.43 H new ATOM 0 HE3 LYS A 620 10.221 11.091 -14.565 1.00 4.43 H new ATOM 0 HZ1 LYS A 620 8.994 9.168 -15.291 1.00 73.00 H new ATOM 0 HZ2 LYS A 620 10.656 8.929 -15.546 1.00 73.00 H new ATOM 0 HZ3 LYS A 620 9.877 8.161 -14.247 1.00 73.00 H new ATOM 618 N TYR A 621 9.061 9.565 -8.702 1.00 4.34 N ATOM 619 CA TYR A 621 7.914 9.741 -7.837 1.00 32.51 C ATOM 620 C TYR A 621 7.940 8.750 -6.696 1.00 11.12 C ATOM 621 O TYR A 621 8.503 7.666 -6.817 1.00 74.20 O ATOM 622 CB TYR A 621 6.601 9.646 -8.660 1.00 44.31 C ATOM 623 CG TYR A 621 6.446 10.777 -9.682 1.00 43.04 C ATOM 624 CD1 TYR A 621 7.214 10.817 -10.845 1.00 14.33 C ATOM 625 CD2 TYR A 621 5.557 11.810 -9.465 1.00 13.55 C ATOM 626 CE1 TYR A 621 7.100 11.854 -11.749 1.00 2.43 C ATOM 627 CE2 TYR A 621 5.430 12.847 -10.375 1.00 60.31 C ATOM 628 CZ TYR A 621 6.207 12.861 -11.509 1.00 32.14 C ATOM 629 OH TYR A 621 6.102 13.906 -12.402 1.00 70.01 O ATOM 0 H TYR A 621 9.186 8.621 -9.069 1.00 4.34 H new ATOM 0 HA TYR A 621 7.957 10.736 -7.394 1.00 32.51 H new ATOM 0 HB2 TYR A 621 6.575 8.689 -9.180 1.00 44.31 H new ATOM 0 HB3 TYR A 621 5.751 9.662 -7.978 1.00 44.31 H new ATOM 0 HD1 TYR A 621 7.914 10.019 -11.043 1.00 14.33 H new ATOM 0 HD2 TYR A 621 4.950 11.810 -8.571 1.00 13.55 H new ATOM 0 HE1 TYR A 621 7.712 11.870 -12.639 1.00 2.43 H new ATOM 0 HE2 TYR A 621 4.722 13.642 -10.194 1.00 60.31 H new ATOM 0 HH TYR A 621 6.573 14.688 -12.047 1.00 70.01 H new ATOM 639 N GLU A 622 7.377 9.120 -5.602 1.00 53.33 N ATOM 640 CA GLU A 622 7.311 8.257 -4.467 1.00 21.14 C ATOM 641 C GLU A 622 5.888 8.234 -3.974 1.00 75.11 C ATOM 642 O GLU A 622 5.192 9.263 -3.990 1.00 40.44 O ATOM 643 CB GLU A 622 8.261 8.723 -3.362 1.00 54.41 C ATOM 644 CG GLU A 622 7.890 10.060 -2.793 1.00 71.04 C ATOM 645 CD GLU A 622 8.853 10.564 -1.762 1.00 51.25 C ATOM 646 OE1 GLU A 622 9.841 11.224 -2.121 1.00 22.34 O ATOM 647 OE2 GLU A 622 8.623 10.326 -0.572 1.00 3.34 O ATOM 0 H GLU A 622 6.945 10.034 -5.463 1.00 53.33 H new ATOM 0 HA GLU A 622 7.623 7.252 -4.753 1.00 21.14 H new ATOM 0 HB2 GLU A 622 8.268 7.983 -2.561 1.00 54.41 H new ATOM 0 HB3 GLU A 622 9.275 8.772 -3.759 1.00 54.41 H new ATOM 0 HG2 GLU A 622 7.827 10.785 -3.604 1.00 71.04 H new ATOM 0 HG3 GLU A 622 6.897 9.993 -2.348 1.00 71.04 H new ATOM 654 N PHE A 623 5.450 7.104 -3.574 1.00 33.42 N ATOM 655 CA PHE A 623 4.110 6.949 -3.127 1.00 22.43 C ATOM 656 C PHE A 623 4.122 6.523 -1.669 1.00 44.51 C ATOM 657 O PHE A 623 4.762 5.555 -1.319 1.00 42.23 O ATOM 658 CB PHE A 623 3.380 5.876 -3.971 1.00 24.00 C ATOM 659 CG PHE A 623 3.326 6.128 -5.474 1.00 50.12 C ATOM 660 CD1 PHE A 623 4.446 5.933 -6.272 1.00 14.12 C ATOM 661 CD2 PHE A 623 2.150 6.543 -6.085 1.00 30.33 C ATOM 662 CE1 PHE A 623 4.395 6.151 -7.629 1.00 24.33 C ATOM 663 CE2 PHE A 623 2.101 6.761 -7.446 1.00 64.35 C ATOM 664 CZ PHE A 623 3.223 6.567 -8.216 1.00 2.04 C ATOM 0 H PHE A 623 6.009 6.251 -3.545 1.00 33.42 H new ATOM 0 HA PHE A 623 3.584 7.897 -3.237 1.00 22.43 H new ATOM 0 HB2 PHE A 623 3.867 4.916 -3.801 1.00 24.00 H new ATOM 0 HB3 PHE A 623 2.359 5.785 -3.601 1.00 24.00 H new ATOM 0 HD1 PHE A 623 5.371 5.605 -5.820 1.00 14.12 H new ATOM 0 HD2 PHE A 623 1.264 6.697 -5.488 1.00 30.33 H new ATOM 0 HE1 PHE A 623 5.276 5.995 -8.234 1.00 24.33 H new ATOM 0 HE2 PHE A 623 1.180 7.085 -7.907 1.00 64.35 H new ATOM 0 HZ PHE A 623 3.184 6.741 -9.281 1.00 2.04 H new ATOM 674 N HIS A 624 3.450 7.251 -0.833 1.00 60.14 N ATOM 675 CA HIS A 624 3.313 6.877 0.556 1.00 21.51 C ATOM 676 C HIS A 624 1.931 6.416 0.792 1.00 42.20 C ATOM 677 O HIS A 624 0.975 7.146 0.540 1.00 15.43 O ATOM 678 CB HIS A 624 3.557 8.052 1.498 1.00 55.21 C ATOM 679 CG HIS A 624 4.922 8.577 1.491 1.00 41.01 C ATOM 680 ND1 HIS A 624 5.867 8.180 2.391 1.00 2.10 N ATOM 681 CD2 HIS A 624 5.514 9.500 0.705 1.00 34.40 C ATOM 682 CE1 HIS A 624 6.962 8.820 2.167 1.00 43.45 C ATOM 683 NE2 HIS A 624 6.783 9.632 1.147 1.00 54.43 N ATOM 0 H HIS A 624 2.979 8.120 -1.084 1.00 60.14 H new ATOM 0 HA HIS A 624 4.052 6.101 0.755 1.00 21.51 H new ATOM 0 HB2 HIS A 624 2.872 8.858 1.234 1.00 55.21 H new ATOM 0 HB3 HIS A 624 3.308 7.742 2.513 1.00 55.21 H new ATOM 0 HD2 HIS A 624 5.060 10.031 -0.119 1.00 34.40 H new ATOM 0 HE1 HIS A 624 7.879 8.708 2.726 1.00 43.45 H new ATOM 0 HE2 HIS A 624 7.487 10.258 0.755 1.00 54.43 H new ATOM 692 N ILE A 625 1.810 5.243 1.289 1.00 23.34 N ATOM 693 CA ILE A 625 0.533 4.689 1.589 1.00 23.54 C ATOM 694 C ILE A 625 0.626 4.033 2.943 1.00 2.13 C ATOM 695 O ILE A 625 1.722 3.648 3.389 1.00 52.30 O ATOM 696 CB ILE A 625 0.074 3.635 0.521 1.00 62.21 C ATOM 697 CG1 ILE A 625 0.997 2.429 0.543 1.00 74.40 C ATOM 698 CG2 ILE A 625 0.014 4.244 -0.883 1.00 23.51 C ATOM 699 CD1 ILE A 625 0.725 1.392 -0.534 1.00 40.21 C ATOM 0 H ILE A 625 2.597 4.630 1.503 1.00 23.34 H new ATOM 0 HA ILE A 625 -0.208 5.488 1.581 1.00 23.54 H new ATOM 0 HB ILE A 625 -0.934 3.313 0.781 1.00 62.21 H new ATOM 0 HG12 ILE A 625 2.025 2.776 0.441 1.00 74.40 H new ATOM 0 HG13 ILE A 625 0.918 1.948 1.518 1.00 74.40 H new ATOM 0 HG21 ILE A 625 -0.308 3.484 -1.596 1.00 23.51 H new ATOM 0 HG22 ILE A 625 -0.695 5.072 -0.890 1.00 23.51 H new ATOM 0 HG23 ILE A 625 1.002 4.610 -1.164 1.00 23.51 H new ATOM 0 HD11 ILE A 625 1.435 0.571 -0.436 1.00 40.21 H new ATOM 0 HD12 ILE A 625 -0.290 1.010 -0.423 1.00 40.21 H new ATOM 0 HD13 ILE A 625 0.835 1.851 -1.517 1.00 40.21 H new ATOM 706 N ASN A 626 -0.457 3.950 3.601 1.00 2.43 N ATOM 707 CA ASN A 626 -0.514 3.288 4.882 1.00 15.14 C ATOM 708 C ASN A 626 -1.682 2.330 4.874 1.00 74.42 C ATOM 709 O ASN A 626 -2.632 2.526 4.111 1.00 31.42 O ATOM 710 CB ASN A 626 -0.694 4.321 6.000 1.00 43.03 C ATOM 711 CG ASN A 626 -0.675 3.707 7.392 1.00 61.24 C ATOM 712 OD1 ASN A 626 0.012 2.701 7.641 1.00 73.03 O ATOM 713 ND2 ASN A 626 -1.426 4.288 8.295 1.00 3.41 N ATOM 0 H ASN A 626 -1.347 4.334 3.284 1.00 2.43 H new ATOM 0 HA ASN A 626 0.414 2.745 5.060 1.00 15.14 H new ATOM 0 HB2 ASN A 626 0.098 5.067 5.928 1.00 43.03 H new ATOM 0 HB3 ASN A 626 -1.639 4.844 5.854 1.00 43.03 H new ATOM 0 HD21 ASN A 626 -1.462 3.916 9.244 1.00 3.41 H new ATOM 0 HD22 ASN A 626 -1.974 5.112 8.049 1.00 3.41 H new ATOM 719 N VAL A 627 -1.614 1.290 5.679 1.00 15.35 N ATOM 720 CA VAL A 627 -2.714 0.369 5.781 1.00 23.14 C ATOM 721 C VAL A 627 -3.686 0.909 6.774 1.00 0.13 C ATOM 722 O VAL A 627 -3.337 1.102 7.922 1.00 52.22 O ATOM 723 CB VAL A 627 -2.297 -1.054 6.216 1.00 41.35 C ATOM 724 CG1 VAL A 627 -3.519 -1.970 6.275 1.00 64.34 C ATOM 725 CG2 VAL A 627 -1.285 -1.618 5.259 1.00 1.14 C ATOM 0 H VAL A 627 -0.811 1.067 6.267 1.00 15.35 H new ATOM 0 HA VAL A 627 -3.148 0.276 4.786 1.00 23.14 H new ATOM 0 HB VAL A 627 -1.850 -0.993 7.208 1.00 41.35 H new ATOM 0 HG11 VAL A 627 -3.210 -2.969 6.583 1.00 64.34 H new ATOM 0 HG12 VAL A 627 -4.236 -1.574 6.994 1.00 64.34 H new ATOM 0 HG13 VAL A 627 -3.983 -2.021 5.290 1.00 64.34 H new ATOM 0 HG21 VAL A 627 -1.001 -2.621 5.579 1.00 1.14 H new ATOM 0 HG22 VAL A 627 -1.716 -1.665 4.259 1.00 1.14 H new ATOM 0 HG23 VAL A 627 -0.402 -0.978 5.244 1.00 1.14 H new ATOM 731 N CYS A 628 -4.865 1.179 6.282 1.00 63.43 N ATOM 732 CA CYS A 628 -6.021 1.708 6.994 1.00 33.12 C ATOM 733 C CYS A 628 -5.787 3.115 7.551 1.00 33.44 C ATOM 734 O CYS A 628 -4.685 3.491 7.982 1.00 11.30 O ATOM 735 CB CYS A 628 -6.570 0.735 8.103 1.00 11.23 C ATOM 736 SG CYS A 628 -5.511 0.457 9.586 1.00 74.35 S ATOM 0 H CYS A 628 -5.069 1.026 5.294 1.00 63.43 H new ATOM 0 HA CYS A 628 -6.801 1.789 6.237 1.00 33.12 H new ATOM 0 HB2 CYS A 628 -7.532 1.120 8.443 1.00 11.23 H new ATOM 0 HB3 CYS A 628 -6.760 -0.233 7.638 1.00 11.23 H new ATOM 741 N GLY A 629 -6.834 3.873 7.550 1.00 25.24 N ATOM 742 CA GLY A 629 -6.793 5.184 8.089 1.00 64.53 C ATOM 743 C GLY A 629 -6.096 6.130 7.165 1.00 21.21 C ATOM 744 O GLY A 629 -6.246 6.048 5.939 1.00 62.10 O ATOM 0 H GLY A 629 -7.741 3.597 7.174 1.00 25.24 H new ATOM 0 HA2 GLY A 629 -7.808 5.535 8.274 1.00 64.53 H new ATOM 0 HA3 GLY A 629 -6.281 5.168 9.051 1.00 64.53 H new ATOM 748 N PRO A 630 -5.375 7.052 7.723 1.00 31.11 N ATOM 749 CA PRO A 630 -4.594 8.002 6.989 1.00 72.23 C ATOM 750 C PRO A 630 -3.112 7.631 6.903 1.00 63.04 C ATOM 751 O PRO A 630 -2.639 6.677 7.547 1.00 44.10 O ATOM 752 CB PRO A 630 -4.732 9.245 7.842 1.00 54.52 C ATOM 753 CG PRO A 630 -5.121 8.762 9.220 1.00 13.40 C ATOM 754 CD PRO A 630 -5.292 7.294 9.148 1.00 14.21 C ATOM 0 HA PRO A 630 -4.930 8.088 5.956 1.00 72.23 H new ATOM 0 HB2 PRO A 630 -3.796 9.803 7.874 1.00 54.52 H new ATOM 0 HB3 PRO A 630 -5.489 9.916 7.435 1.00 54.52 H new ATOM 0 HG2 PRO A 630 -4.353 9.023 9.948 1.00 13.40 H new ATOM 0 HG3 PRO A 630 -6.045 9.240 9.546 1.00 13.40 H new ATOM 0 HD2 PRO A 630 -4.452 6.766 9.600 1.00 14.21 H new ATOM 0 HD3 PRO A 630 -6.192 6.965 9.668 1.00 14.21 H new ATOM 762 N VAL A 631 -2.395 8.381 6.112 1.00 33.23 N ATOM 763 CA VAL A 631 -0.980 8.258 6.033 1.00 41.41 C ATOM 764 C VAL A 631 -0.382 9.442 6.765 1.00 63.21 C ATOM 765 O VAL A 631 -0.769 10.595 6.534 1.00 44.34 O ATOM 766 CB VAL A 631 -0.463 8.189 4.550 1.00 1.23 C ATOM 767 CG1 VAL A 631 -0.852 9.398 3.727 1.00 23.35 C ATOM 768 CG2 VAL A 631 1.026 7.965 4.495 1.00 75.33 C ATOM 0 H VAL A 631 -2.787 9.098 5.502 1.00 33.23 H new ATOM 0 HA VAL A 631 -0.671 7.320 6.494 1.00 41.41 H new ATOM 0 HB VAL A 631 -0.961 7.330 4.101 1.00 1.23 H new ATOM 0 HG11 VAL A 631 -0.465 9.288 2.714 1.00 23.35 H new ATOM 0 HG12 VAL A 631 -1.938 9.481 3.693 1.00 23.35 H new ATOM 0 HG13 VAL A 631 -0.433 10.297 4.180 1.00 23.35 H new ATOM 0 HG21 VAL A 631 1.349 7.922 3.455 1.00 75.33 H new ATOM 0 HG22 VAL A 631 1.536 8.785 5.000 1.00 75.33 H new ATOM 0 HG23 VAL A 631 1.271 7.025 4.990 1.00 75.33 H new ATOM 774 N SER A 632 0.521 9.184 7.639 1.00 50.31 N ATOM 775 CA SER A 632 1.085 10.223 8.400 1.00 15.44 C ATOM 776 C SER A 632 2.408 10.617 7.788 1.00 11.12 C ATOM 777 O SER A 632 3.476 10.160 8.208 1.00 23.24 O ATOM 778 CB SER A 632 1.219 9.813 9.880 1.00 64.12 C ATOM 779 OG SER A 632 1.586 10.912 10.708 1.00 44.54 O ATOM 0 H SER A 632 0.884 8.253 7.842 1.00 50.31 H new ATOM 0 HA SER A 632 0.428 11.093 8.384 1.00 15.44 H new ATOM 0 HB2 SER A 632 0.273 9.397 10.228 1.00 64.12 H new ATOM 0 HB3 SER A 632 1.967 9.025 9.971 1.00 64.12 H new ATOM 0 HG SER A 632 1.659 10.611 11.638 1.00 44.54 H new ATOM 785 N VAL A 633 2.329 11.380 6.726 1.00 63.35 N ATOM 786 CA VAL A 633 3.509 11.867 6.076 1.00 62.12 C ATOM 787 C VAL A 633 3.415 13.353 5.869 1.00 61.22 C ATOM 788 O VAL A 633 2.338 13.872 5.570 1.00 53.24 O ATOM 789 CB VAL A 633 3.809 11.133 4.718 1.00 41.53 C ATOM 790 CG1 VAL A 633 2.727 11.294 3.677 1.00 41.44 C ATOM 791 CG2 VAL A 633 5.182 11.477 4.162 1.00 61.04 C ATOM 0 H VAL A 633 1.453 11.676 6.295 1.00 63.35 H new ATOM 0 HA VAL A 633 4.348 11.648 6.736 1.00 62.12 H new ATOM 0 HB VAL A 633 3.815 10.073 4.972 1.00 41.53 H new ATOM 0 HG11 VAL A 633 3.011 10.758 2.771 1.00 41.44 H new ATOM 0 HG12 VAL A 633 1.790 10.889 4.060 1.00 41.44 H new ATOM 0 HG13 VAL A 633 2.598 12.352 3.447 1.00 41.44 H new ATOM 0 HG21 VAL A 633 5.339 10.944 3.224 1.00 61.04 H new ATOM 0 HG22 VAL A 633 5.244 12.551 3.984 1.00 61.04 H new ATOM 0 HG23 VAL A 633 5.949 11.183 4.879 1.00 61.04 H new ATOM 797 N GLY A 634 4.533 14.039 6.030 1.00 53.04 N ATOM 798 CA GLY A 634 4.589 15.471 5.809 1.00 4.40 C ATOM 799 C GLY A 634 4.621 15.798 4.332 1.00 32.34 C ATOM 800 O GLY A 634 5.506 16.500 3.847 1.00 42.24 O ATOM 0 H GLY A 634 5.419 13.623 6.315 1.00 53.04 H new ATOM 0 HA2 GLY A 634 3.723 15.947 6.270 1.00 4.40 H new ATOM 0 HA3 GLY A 634 5.475 15.882 6.294 1.00 4.40 H new ATOM 804 N ALA A 635 3.655 15.275 3.643 1.00 35.21 N ATOM 805 CA ALA A 635 3.483 15.449 2.238 1.00 53.44 C ATOM 806 C ALA A 635 2.027 15.696 1.991 1.00 41.50 C ATOM 807 O ALA A 635 1.660 16.574 1.220 1.00 15.52 O ATOM 808 CB ALA A 635 3.967 14.223 1.473 1.00 62.25 C ATOM 0 H ALA A 635 2.934 14.690 4.065 1.00 35.21 H new ATOM 0 HA ALA A 635 4.075 16.293 1.885 1.00 53.44 H new ATOM 0 HB1 ALA A 635 3.825 14.382 0.404 1.00 62.25 H new ATOM 0 HB2 ALA A 635 5.025 14.061 1.678 1.00 62.25 H new ATOM 0 HB3 ALA A 635 3.398 13.349 1.789 1.00 62.25 H new ATOM 814 N CYS A 636 1.182 14.923 2.656 1.00 25.11 N ATOM 815 CA CYS A 636 -0.252 15.154 2.555 1.00 4.42 C ATOM 816 C CYS A 636 -0.904 15.231 3.920 1.00 44.41 C ATOM 817 O CYS A 636 -0.408 14.627 4.879 1.00 43.32 O ATOM 818 CB CYS A 636 -0.945 14.121 1.663 1.00 42.35 C ATOM 819 SG CYS A 636 -0.478 14.233 -0.096 1.00 35.23 S ATOM 0 H CYS A 636 1.455 14.147 3.259 1.00 25.11 H new ATOM 0 HA CYS A 636 -0.378 16.124 2.074 1.00 4.42 H new ATOM 0 HB2 CYS A 636 -0.708 13.122 2.029 1.00 42.35 H new ATOM 0 HB3 CYS A 636 -2.024 14.245 1.751 1.00 42.35 H new ATOM 824 N PRO A 637 -1.996 16.017 4.035 1.00 23.12 N ATOM 825 CA PRO A 637 -2.752 16.185 5.278 1.00 33.04 C ATOM 826 C PRO A 637 -3.276 14.853 5.835 1.00 33.24 C ATOM 827 O PRO A 637 -3.464 13.890 5.085 1.00 23.11 O ATOM 828 CB PRO A 637 -3.932 17.094 4.873 1.00 62.53 C ATOM 829 CG PRO A 637 -3.996 16.997 3.393 1.00 50.34 C ATOM 830 CD PRO A 637 -2.587 16.819 2.943 1.00 33.43 C ATOM 0 HA PRO A 637 -2.129 16.601 6.070 1.00 33.04 H new ATOM 0 HB2 PRO A 637 -4.863 16.761 5.332 1.00 62.53 H new ATOM 0 HB3 PRO A 637 -3.768 18.122 5.195 1.00 62.53 H new ATOM 0 HG2 PRO A 637 -4.616 16.157 3.082 1.00 50.34 H new ATOM 0 HG3 PRO A 637 -4.436 17.895 2.960 1.00 50.34 H new ATOM 0 HD2 PRO A 637 -2.530 16.303 1.985 1.00 33.43 H new ATOM 0 HD3 PRO A 637 -2.077 17.775 2.821 1.00 33.43 H new ATOM 838 N PRO A 638 -3.509 14.787 7.169 1.00 54.34 N ATOM 839 CA PRO A 638 -4.028 13.585 7.870 1.00 51.40 C ATOM 840 C PRO A 638 -5.343 13.034 7.280 1.00 41.24 C ATOM 841 O PRO A 638 -5.791 11.971 7.654 1.00 43.02 O ATOM 842 CB PRO A 638 -4.242 14.060 9.314 1.00 3.14 C ATOM 843 CG PRO A 638 -4.187 15.546 9.249 1.00 13.54 C ATOM 844 CD PRO A 638 -3.271 15.881 8.118 1.00 20.42 C ATOM 0 HA PRO A 638 -3.328 12.755 7.776 1.00 51.40 H new ATOM 0 HB2 PRO A 638 -5.201 13.718 9.703 1.00 3.14 H new ATOM 0 HB3 PRO A 638 -3.471 13.666 9.976 1.00 3.14 H new ATOM 0 HG2 PRO A 638 -5.179 15.965 9.083 1.00 13.54 H new ATOM 0 HG3 PRO A 638 -3.817 15.963 10.186 1.00 13.54 H new ATOM 0 HD2 PRO A 638 -3.505 16.852 7.682 1.00 20.42 H new ATOM 0 HD3 PRO A 638 -2.230 15.918 8.439 1.00 20.42 H new ATOM 852 N ASP A 639 -5.971 13.784 6.407 1.00 60.20 N ATOM 853 CA ASP A 639 -7.176 13.322 5.735 1.00 43.35 C ATOM 854 C ASP A 639 -6.857 12.405 4.567 1.00 74.51 C ATOM 855 O ASP A 639 -7.751 11.818 3.988 1.00 75.20 O ATOM 856 CB ASP A 639 -8.043 14.487 5.260 1.00 20.03 C ATOM 857 CG ASP A 639 -8.731 15.212 6.384 1.00 44.54 C ATOM 858 OD1 ASP A 639 -8.058 15.904 7.176 1.00 74.43 O ATOM 859 OD2 ASP A 639 -9.972 15.123 6.477 1.00 24.52 O ATOM 0 H ASP A 639 -5.671 14.722 6.140 1.00 60.20 H new ATOM 0 HA ASP A 639 -7.739 12.752 6.474 1.00 43.35 H new ATOM 0 HB2 ASP A 639 -7.422 15.192 4.708 1.00 20.03 H new ATOM 0 HB3 ASP A 639 -8.794 14.112 4.565 1.00 20.03 H new ATOM 864 N SER A 640 -5.591 12.289 4.216 1.00 34.43 N ATOM 865 CA SER A 640 -5.178 11.432 3.119 1.00 64.51 C ATOM 866 C SER A 640 -4.650 10.093 3.652 1.00 64.22 C ATOM 867 O SER A 640 -3.938 10.064 4.646 1.00 45.24 O ATOM 868 CB SER A 640 -4.086 12.123 2.307 1.00 41.54 C ATOM 869 OG SER A 640 -4.515 13.390 1.844 1.00 32.34 O ATOM 0 H SER A 640 -4.825 12.780 4.677 1.00 34.43 H new ATOM 0 HA SER A 640 -6.042 11.242 2.483 1.00 64.51 H new ATOM 0 HB2 SER A 640 -3.193 12.241 2.920 1.00 41.54 H new ATOM 0 HB3 SER A 640 -3.810 11.497 1.458 1.00 41.54 H new ATOM 0 HG SER A 640 -4.067 13.598 0.997 1.00 32.34 H new ATOM 875 N GLY A 641 -5.012 9.000 2.993 1.00 54.15 N ATOM 876 CA GLY A 641 -4.526 7.677 3.379 1.00 43.21 C ATOM 877 C GLY A 641 -3.412 7.207 2.473 1.00 34.33 C ATOM 878 O GLY A 641 -2.605 6.346 2.840 1.00 73.20 O ATOM 0 H GLY A 641 -5.640 9.001 2.189 1.00 54.15 H new ATOM 0 HA2 GLY A 641 -4.170 7.706 4.409 1.00 43.21 H new ATOM 0 HA3 GLY A 641 -5.349 6.963 3.346 1.00 43.21 H new ATOM 882 N ALA A 642 -3.372 7.772 1.294 1.00 75.24 N ATOM 883 CA ALA A 642 -2.343 7.495 0.327 1.00 73.50 C ATOM 884 C ALA A 642 -1.993 8.787 -0.363 1.00 21.51 C ATOM 885 O ALA A 642 -2.871 9.517 -0.832 1.00 62.34 O ATOM 886 CB ALA A 642 -2.804 6.436 -0.662 1.00 64.52 C ATOM 0 H ALA A 642 -4.065 8.448 0.974 1.00 75.24 H new ATOM 0 HA ALA A 642 -1.456 7.096 0.820 1.00 73.50 H new ATOM 0 HB1 ALA A 642 -2.011 6.242 -1.384 1.00 64.52 H new ATOM 0 HB2 ALA A 642 -3.040 5.516 -0.127 1.00 64.52 H new ATOM 0 HB3 ALA A 642 -3.692 6.789 -1.186 1.00 64.52 H new ATOM 892 N CYS A 643 -0.738 9.083 -0.387 1.00 3.24 N ATOM 893 CA CYS A 643 -0.244 10.317 -0.923 1.00 61.51 C ATOM 894 C CYS A 643 1.012 10.097 -1.707 1.00 3.22 C ATOM 895 O CYS A 643 1.924 9.415 -1.244 1.00 40.13 O ATOM 896 CB CYS A 643 0.048 11.287 0.216 1.00 62.31 C ATOM 897 SG CYS A 643 0.914 12.805 -0.299 1.00 74.23 S ATOM 0 H CYS A 643 -0.009 8.466 -0.029 1.00 3.24 H new ATOM 0 HA CYS A 643 -1.005 10.729 -1.586 1.00 61.51 H new ATOM 0 HB2 CYS A 643 -0.892 11.563 0.693 1.00 62.31 H new ATOM 0 HB3 CYS A 643 0.650 10.776 0.968 1.00 62.31 H new ATOM 902 N GLN A 644 1.078 10.664 -2.864 1.00 44.23 N ATOM 903 CA GLN A 644 2.273 10.591 -3.645 1.00 64.00 C ATOM 904 C GLN A 644 2.891 11.941 -3.747 1.00 33.22 C ATOM 905 O GLN A 644 2.190 12.937 -3.822 1.00 15.31 O ATOM 906 CB GLN A 644 2.041 10.065 -5.038 1.00 20.21 C ATOM 907 CG GLN A 644 1.032 10.840 -5.846 1.00 32.12 C ATOM 908 CD GLN A 644 0.949 10.364 -7.275 1.00 35.12 C ATOM 909 OE1 GLN A 644 0.172 9.500 -7.599 1.00 33.31 O ATOM 910 NE2 GLN A 644 1.758 10.926 -8.132 1.00 14.45 N ATOM 0 H GLN A 644 0.315 11.187 -3.295 1.00 44.23 H new ATOM 0 HA GLN A 644 2.933 9.891 -3.132 1.00 64.00 H new ATOM 0 HB2 GLN A 644 2.990 10.063 -5.573 1.00 20.21 H new ATOM 0 HB3 GLN A 644 1.712 9.028 -4.970 1.00 20.21 H new ATOM 0 HG2 GLN A 644 0.051 10.751 -5.379 1.00 32.12 H new ATOM 0 HG3 GLN A 644 1.296 11.897 -5.833 1.00 32.12 H new ATOM 0 HE21 GLN A 644 2.402 11.654 -7.823 1.00 14.45 H new ATOM 0 HE22 GLN A 644 1.746 10.637 -9.110 1.00 14.45 H new ATOM 918 N VAL A 645 4.173 11.978 -3.757 1.00 42.04 N ATOM 919 CA VAL A 645 4.882 13.197 -3.901 1.00 4.32 C ATOM 920 C VAL A 645 5.983 13.009 -4.913 1.00 14.11 C ATOM 921 O VAL A 645 6.664 11.982 -4.938 1.00 71.13 O ATOM 922 CB VAL A 645 5.400 13.793 -2.532 1.00 13.03 C ATOM 923 CG1 VAL A 645 6.270 12.825 -1.773 1.00 2.20 C ATOM 924 CG2 VAL A 645 6.128 15.127 -2.730 1.00 25.44 C ATOM 0 H VAL A 645 4.767 11.154 -3.664 1.00 42.04 H new ATOM 0 HA VAL A 645 4.188 13.952 -4.270 1.00 4.32 H new ATOM 0 HB VAL A 645 4.511 13.976 -1.929 1.00 13.03 H new ATOM 0 HG11 VAL A 645 6.598 13.285 -0.841 1.00 2.20 H new ATOM 0 HG12 VAL A 645 5.702 11.922 -1.551 1.00 2.20 H new ATOM 0 HG13 VAL A 645 7.140 12.567 -2.377 1.00 2.20 H new ATOM 0 HG21 VAL A 645 6.468 15.503 -1.765 1.00 25.44 H new ATOM 0 HG22 VAL A 645 6.987 14.979 -3.385 1.00 25.44 H new ATOM 0 HG23 VAL A 645 5.448 15.849 -3.181 1.00 25.44 H new ATOM 930 N SER A 646 6.100 13.944 -5.788 1.00 22.11 N ATOM 931 CA SER A 646 7.099 13.902 -6.781 1.00 74.40 C ATOM 932 C SER A 646 8.380 14.393 -6.190 1.00 32.43 C ATOM 933 O SER A 646 8.436 15.511 -5.684 1.00 42.01 O ATOM 934 CB SER A 646 6.706 14.780 -7.951 1.00 61.43 C ATOM 935 OG SER A 646 7.690 14.746 -8.972 1.00 10.44 O ATOM 0 H SER A 646 5.496 14.765 -5.830 1.00 22.11 H new ATOM 0 HA SER A 646 7.220 12.879 -7.138 1.00 74.40 H new ATOM 0 HB2 SER A 646 5.749 14.447 -8.353 1.00 61.43 H new ATOM 0 HB3 SER A 646 6.568 15.806 -7.609 1.00 61.43 H new ATOM 0 HG SER A 646 7.299 15.060 -9.814 1.00 10.44 H new ATOM 941 N ARG A 647 9.395 13.576 -6.232 1.00 33.23 N ATOM 942 CA ARG A 647 10.679 13.984 -5.714 1.00 25.34 C ATOM 943 C ARG A 647 11.279 15.036 -6.663 1.00 14.33 C ATOM 944 O ARG A 647 12.063 15.895 -6.266 1.00 54.14 O ATOM 945 CB ARG A 647 11.588 12.748 -5.479 1.00 13.33 C ATOM 946 CG ARG A 647 12.111 12.053 -6.712 1.00 32.10 C ATOM 947 CD ARG A 647 12.577 10.636 -6.376 1.00 50.12 C ATOM 948 NE ARG A 647 13.560 10.578 -5.287 1.00 74.13 N ATOM 949 CZ ARG A 647 13.683 9.543 -4.425 1.00 70.31 C ATOM 950 NH1 ARG A 647 12.903 8.470 -4.548 1.00 24.15 N ATOM 951 NH2 ARG A 647 14.587 9.585 -3.456 1.00 31.04 N ATOM 0 H ARG A 647 9.364 12.631 -6.615 1.00 33.23 H new ATOM 0 HA ARG A 647 10.577 14.453 -4.735 1.00 25.34 H new ATOM 0 HB2 ARG A 647 12.441 13.061 -4.876 1.00 13.33 H new ATOM 0 HB3 ARG A 647 11.030 12.021 -4.889 1.00 13.33 H new ATOM 0 HG2 ARG A 647 11.331 12.014 -7.472 1.00 32.10 H new ATOM 0 HG3 ARG A 647 12.939 12.623 -7.134 1.00 32.10 H new ATOM 0 HD2 ARG A 647 11.710 10.034 -6.103 1.00 50.12 H new ATOM 0 HD3 ARG A 647 13.010 10.185 -7.269 1.00 50.12 H new ATOM 0 HE ARG A 647 14.192 11.371 -5.173 1.00 74.13 H new ATOM 0 HH11 ARG A 647 12.209 8.427 -5.295 1.00 24.15 H new ATOM 0 HH12 ARG A 647 12.999 7.692 -3.896 1.00 24.15 H new ATOM 0 HH21 ARG A 647 15.193 10.400 -3.359 1.00 31.04 H new ATOM 0 HH22 ARG A 647 14.677 8.802 -2.808 1.00 31.04 H new ATOM 963 N SER A 648 10.849 14.958 -7.913 1.00 11.40 N ATOM 964 CA SER A 648 11.235 15.866 -8.961 1.00 13.11 C ATOM 965 C SER A 648 10.426 17.196 -8.950 1.00 22.41 C ATOM 966 O SER A 648 11.005 18.279 -8.998 1.00 71.03 O ATOM 967 CB SER A 648 11.066 15.132 -10.286 1.00 32.33 C ATOM 968 OG SER A 648 11.917 14.007 -10.316 1.00 11.01 O ATOM 0 H SER A 648 10.202 14.235 -8.227 1.00 11.40 H new ATOM 0 HA SER A 648 12.272 16.164 -8.806 1.00 13.11 H new ATOM 0 HB2 SER A 648 10.029 14.820 -10.411 1.00 32.33 H new ATOM 0 HB3 SER A 648 11.300 15.800 -11.115 1.00 32.33 H new ATOM 0 HG SER A 648 12.308 13.916 -11.210 1.00 11.01 H new ATOM 974 N ASP A 649 9.098 17.103 -8.849 1.00 61.21 N ATOM 975 CA ASP A 649 8.222 18.304 -8.975 1.00 63.22 C ATOM 976 C ASP A 649 7.912 18.925 -7.630 1.00 22.33 C ATOM 977 O ASP A 649 7.432 20.049 -7.553 1.00 2.32 O ATOM 978 CB ASP A 649 6.881 17.965 -9.660 1.00 51.53 C ATOM 979 CG ASP A 649 7.018 17.274 -10.995 1.00 62.45 C ATOM 980 OD1 ASP A 649 7.333 17.931 -11.993 1.00 51.44 O ATOM 981 OD2 ASP A 649 6.814 16.050 -11.057 1.00 2.14 O ATOM 0 H ASP A 649 8.598 16.230 -8.683 1.00 61.21 H new ATOM 0 HA ASP A 649 8.783 19.012 -9.585 1.00 63.22 H new ATOM 0 HB2 ASP A 649 6.298 17.329 -8.994 1.00 51.53 H new ATOM 0 HB3 ASP A 649 6.315 18.886 -9.798 1.00 51.53 H new ATOM 986 N ARG A 650 8.165 18.175 -6.585 1.00 53.02 N ATOM 987 CA ARG A 650 7.883 18.565 -5.176 1.00 2.22 C ATOM 988 C ARG A 650 6.395 18.754 -4.912 1.00 41.24 C ATOM 989 O ARG A 650 5.996 19.360 -3.917 1.00 61.24 O ATOM 990 CB ARG A 650 8.700 19.788 -4.659 1.00 22.22 C ATOM 991 CG ARG A 650 10.227 19.639 -4.704 1.00 72.40 C ATOM 992 CD ARG A 650 10.771 19.893 -6.095 1.00 13.30 C ATOM 993 NE ARG A 650 10.514 21.285 -6.491 1.00 44.45 N ATOM 994 CZ ARG A 650 10.529 21.786 -7.731 1.00 50.14 C ATOM 995 NH1 ARG A 650 10.772 21.012 -8.783 1.00 52.13 N ATOM 996 NH2 ARG A 650 10.293 23.079 -7.905 1.00 52.34 N ATOM 0 H ARG A 650 8.583 17.248 -6.666 1.00 53.02 H new ATOM 0 HA ARG A 650 8.231 17.712 -4.594 1.00 2.22 H new ATOM 0 HB2 ARG A 650 8.422 20.662 -5.248 1.00 22.22 H new ATOM 0 HB3 ARG A 650 8.404 19.990 -3.630 1.00 22.22 H new ATOM 0 HG2 ARG A 650 10.682 20.337 -4.002 1.00 72.40 H new ATOM 0 HG3 ARG A 650 10.505 18.636 -4.382 1.00 72.40 H new ATOM 0 HD2 ARG A 650 11.842 19.692 -6.117 1.00 13.30 H new ATOM 0 HD3 ARG A 650 10.304 19.212 -6.807 1.00 13.30 H new ATOM 0 HE ARG A 650 10.301 21.940 -5.739 1.00 44.45 H new ATOM 0 HH11 ARG A 650 10.952 20.016 -8.653 1.00 52.13 H new ATOM 0 HH12 ARG A 650 10.779 21.413 -9.721 1.00 52.13 H new ATOM 0 HH21 ARG A 650 10.104 23.676 -7.100 1.00 52.34 H new ATOM 0 HH22 ARG A 650 10.301 23.477 -8.844 1.00 52.34 H new ATOM 1008 N LYS A 651 5.581 18.205 -5.771 1.00 34.34 N ATOM 1009 CA LYS A 651 4.158 18.276 -5.580 1.00 64.21 C ATOM 1010 C LYS A 651 3.679 16.991 -5.008 1.00 71.05 C ATOM 1011 O LYS A 651 4.248 15.933 -5.304 1.00 42.23 O ATOM 1012 CB LYS A 651 3.428 18.468 -6.882 1.00 1.50 C ATOM 1013 CG LYS A 651 3.819 19.660 -7.688 1.00 50.52 C ATOM 1014 CD LYS A 651 2.832 19.800 -8.844 1.00 32.24 C ATOM 1015 CE LYS A 651 3.134 20.962 -9.741 1.00 43.03 C ATOM 1016 NZ LYS A 651 2.160 21.059 -10.848 1.00 4.11 N ATOM 0 H LYS A 651 5.877 17.704 -6.609 1.00 34.34 H new ATOM 0 HA LYS A 651 3.962 19.122 -4.921 1.00 64.21 H new ATOM 0 HB2 LYS A 651 3.578 17.578 -7.493 1.00 1.50 H new ATOM 0 HB3 LYS A 651 2.361 18.533 -6.670 1.00 1.50 H new ATOM 0 HG2 LYS A 651 3.809 20.557 -7.069 1.00 50.52 H new ATOM 0 HG3 LYS A 651 4.835 19.546 -8.067 1.00 50.52 H new ATOM 0 HD2 LYS A 651 2.840 18.883 -9.433 1.00 32.24 H new ATOM 0 HD3 LYS A 651 1.825 19.912 -8.442 1.00 32.24 H new ATOM 0 HE2 LYS A 651 3.120 21.884 -9.160 1.00 43.03 H new ATOM 0 HE3 LYS A 651 4.140 20.857 -10.148 1.00 43.03 H new ATOM 0 HZ1 LYS A 651 2.398 21.873 -11.449 1.00 4.11 H new ATOM 0 HZ2 LYS A 651 2.192 20.188 -11.416 1.00 4.11 H new ATOM 0 HZ3 LYS A 651 1.204 21.184 -10.459 1.00 4.11 H new ATOM 1030 N SER A 652 2.659 17.051 -4.215 1.00 41.41 N ATOM 1031 CA SER A 652 2.065 15.867 -3.718 1.00 62.33 C ATOM 1032 C SER A 652 0.598 15.850 -4.050 1.00 72.43 C ATOM 1033 O SER A 652 -0.079 16.887 -4.018 1.00 64.02 O ATOM 1034 CB SER A 652 2.327 15.671 -2.226 1.00 32.14 C ATOM 1035 OG SER A 652 1.874 16.784 -1.453 1.00 23.42 O ATOM 0 H SER A 652 2.222 17.917 -3.899 1.00 41.41 H new ATOM 0 HA SER A 652 2.534 15.016 -4.212 1.00 62.33 H new ATOM 0 HB2 SER A 652 1.826 14.765 -1.886 1.00 32.14 H new ATOM 0 HB3 SER A 652 3.395 15.526 -2.061 1.00 32.14 H new ATOM 0 HG SER A 652 1.671 16.488 -0.541 1.00 23.42 H new ATOM 1041 N TRP A 653 0.114 14.703 -4.383 1.00 41.41 N ATOM 1042 CA TRP A 653 -1.239 14.544 -4.785 1.00 30.15 C ATOM 1043 C TRP A 653 -1.912 13.542 -3.864 1.00 72.11 C ATOM 1044 O TRP A 653 -1.245 12.666 -3.290 1.00 24.42 O ATOM 1045 CB TRP A 653 -1.313 14.085 -6.260 1.00 70.51 C ATOM 1046 CG TRP A 653 -0.661 15.039 -7.260 1.00 52.50 C ATOM 1047 CD1 TRP A 653 -1.247 16.097 -7.910 1.00 65.35 C ATOM 1048 CD2 TRP A 653 0.706 15.003 -7.721 1.00 35.12 C ATOM 1049 NE1 TRP A 653 -0.318 16.709 -8.746 1.00 51.55 N ATOM 1050 CE2 TRP A 653 0.874 16.053 -8.643 1.00 30.41 C ATOM 1051 CE3 TRP A 653 1.797 14.187 -7.439 1.00 73.14 C ATOM 1052 CZ2 TRP A 653 2.088 16.292 -9.284 1.00 13.44 C ATOM 1053 CZ3 TRP A 653 2.994 14.422 -8.065 1.00 45.45 C ATOM 1054 CH2 TRP A 653 3.134 15.467 -8.982 1.00 55.23 C ATOM 0 H TRP A 653 0.655 13.838 -4.383 1.00 41.41 H new ATOM 0 HA TRP A 653 -1.760 15.498 -4.713 1.00 30.15 H new ATOM 0 HB2 TRP A 653 -0.836 13.109 -6.347 1.00 70.51 H new ATOM 0 HB3 TRP A 653 -2.360 13.954 -6.533 1.00 70.51 H new ATOM 0 HD1 TRP A 653 -2.274 16.408 -7.790 1.00 65.35 H new ATOM 0 HE1 TRP A 653 -0.499 17.518 -9.340 1.00 51.55 H new ATOM 0 HE3 TRP A 653 1.702 13.375 -6.733 1.00 73.14 H new ATOM 0 HZ2 TRP A 653 2.198 17.099 -9.993 1.00 13.44 H new ATOM 0 HZ3 TRP A 653 3.842 13.790 -7.846 1.00 45.45 H new ATOM 0 HH2 TRP A 653 4.089 15.626 -9.462 1.00 55.23 H new ATOM 1065 N ASN A 654 -3.206 13.648 -3.749 1.00 61.12 N ATOM 1066 CA ASN A 654 -3.981 12.814 -2.847 1.00 13.34 C ATOM 1067 C ASN A 654 -4.503 11.647 -3.637 1.00 5.33 C ATOM 1068 O ASN A 654 -5.160 11.836 -4.669 1.00 3.32 O ATOM 1069 CB ASN A 654 -5.161 13.633 -2.332 1.00 2.03 C ATOM 1070 CG ASN A 654 -5.996 12.976 -1.255 1.00 10.35 C ATOM 1071 OD1 ASN A 654 -6.102 11.764 -1.160 1.00 11.21 O ATOM 1072 ND2 ASN A 654 -6.631 13.788 -0.467 1.00 54.30 N ATOM 0 H ASN A 654 -3.765 14.317 -4.278 1.00 61.12 H new ATOM 0 HA ASN A 654 -3.374 12.468 -2.010 1.00 13.34 H new ATOM 0 HB2 ASN A 654 -4.782 14.579 -1.945 1.00 2.03 H new ATOM 0 HB3 ASN A 654 -5.810 13.870 -3.175 1.00 2.03 H new ATOM 0 HD21 ASN A 654 -7.243 13.418 0.261 1.00 54.30 H new ATOM 0 HD22 ASN A 654 -6.519 14.796 -0.575 1.00 54.30 H new ATOM 1078 N LEU A 655 -4.220 10.458 -3.169 1.00 25.52 N ATOM 1079 CA LEU A 655 -4.588 9.251 -3.876 1.00 45.04 C ATOM 1080 C LEU A 655 -5.694 8.530 -3.148 1.00 41.43 C ATOM 1081 O LEU A 655 -5.953 7.351 -3.389 1.00 2.15 O ATOM 1082 CB LEU A 655 -3.377 8.346 -3.992 1.00 3.52 C ATOM 1083 CG LEU A 655 -2.138 8.967 -4.608 1.00 64.15 C ATOM 1084 CD1 LEU A 655 -1.051 7.929 -4.771 1.00 34.43 C ATOM 1085 CD2 LEU A 655 -2.472 9.641 -5.925 1.00 74.12 C ATOM 0 H LEU A 655 -3.729 10.296 -2.290 1.00 25.52 H new ATOM 0 HA LEU A 655 -4.943 9.518 -4.871 1.00 45.04 H new ATOM 0 HB2 LEU A 655 -3.121 7.985 -2.996 1.00 3.52 H new ATOM 0 HB3 LEU A 655 -3.655 7.475 -4.585 1.00 3.52 H new ATOM 0 HG LEU A 655 -1.762 9.737 -3.934 1.00 64.15 H new ATOM 0 HD11 LEU A 655 -0.169 8.392 -5.214 1.00 34.43 H new ATOM 0 HD12 LEU A 655 -0.793 7.517 -3.796 1.00 34.43 H new ATOM 0 HD13 LEU A 655 -1.406 7.129 -5.421 1.00 34.43 H new ATOM 0 HD21 LEU A 655 -1.569 10.079 -6.349 1.00 74.12 H new ATOM 0 HD22 LEU A 655 -2.877 8.904 -6.618 1.00 74.12 H new ATOM 0 HD23 LEU A 655 -3.211 10.425 -5.756 1.00 74.12 H new ATOM 1093 N GLY A 656 -6.334 9.222 -2.268 1.00 71.41 N ATOM 1094 CA GLY A 656 -7.404 8.648 -1.553 1.00 32.43 C ATOM 1095 C GLY A 656 -7.423 9.103 -0.141 1.00 71.33 C ATOM 1096 O GLY A 656 -6.431 8.939 0.592 1.00 24.31 O ATOM 0 H GLY A 656 -6.127 10.192 -2.031 1.00 71.41 H new ATOM 0 HA2 GLY A 656 -8.346 8.911 -2.033 1.00 32.43 H new ATOM 0 HA3 GLY A 656 -7.323 7.562 -1.585 1.00 32.43 H new ATOM 1100 N ARG A 657 -8.528 9.699 0.262 1.00 22.42 N ATOM 1101 CA ARG A 657 -8.684 10.134 1.607 1.00 1.22 C ATOM 1102 C ARG A 657 -8.764 8.953 2.553 1.00 70.33 C ATOM 1103 O ARG A 657 -9.031 7.819 2.119 1.00 44.43 O ATOM 1104 CB ARG A 657 -9.865 11.097 1.765 1.00 43.31 C ATOM 1105 CG ARG A 657 -9.620 12.462 1.133 1.00 22.51 C ATOM 1106 CD ARG A 657 -10.802 13.399 1.318 1.00 4.35 C ATOM 1107 NE ARG A 657 -11.990 12.970 0.568 1.00 51.30 N ATOM 1108 CZ ARG A 657 -13.246 13.317 0.861 1.00 4.51 C ATOM 1109 NH1 ARG A 657 -13.516 14.016 1.966 1.00 15.50 N ATOM 1110 NH2 ARG A 657 -14.228 12.949 0.052 1.00 2.31 N ATOM 0 H ARG A 657 -9.329 9.887 -0.341 1.00 22.42 H new ATOM 0 HA ARG A 657 -7.795 10.703 1.879 1.00 1.22 H new ATOM 0 HB2 ARG A 657 -10.752 10.650 1.315 1.00 43.31 H new ATOM 0 HB3 ARG A 657 -10.078 11.229 2.826 1.00 43.31 H new ATOM 0 HG2 ARG A 657 -8.730 12.911 1.574 1.00 22.51 H new ATOM 0 HG3 ARG A 657 -9.420 12.337 0.069 1.00 22.51 H new ATOM 0 HD2 ARG A 657 -11.049 13.460 2.378 1.00 4.35 H new ATOM 0 HD3 ARG A 657 -10.519 14.402 0.999 1.00 4.35 H new ATOM 0 HE ARG A 657 -11.845 12.361 -0.237 1.00 51.30 H new ATOM 0 HH11 ARG A 657 -12.760 14.289 2.594 1.00 15.50 H new ATOM 0 HH12 ARG A 657 -14.478 14.277 2.182 1.00 15.50 H new ATOM 0 HH21 ARG A 657 -14.022 12.405 -0.786 1.00 2.31 H new ATOM 0 HH22 ARG A 657 -15.191 13.209 0.267 1.00 2.31 H new ATOM 1122 N SER A 658 -8.547 9.232 3.813 1.00 23.12 N ATOM 1123 CA SER A 658 -8.455 8.232 4.848 1.00 40.41 C ATOM 1124 C SER A 658 -9.682 7.341 4.914 1.00 2.12 C ATOM 1125 O SER A 658 -10.823 7.820 4.924 1.00 62.45 O ATOM 1126 CB SER A 658 -8.210 8.919 6.184 1.00 13.30 C ATOM 1127 OG SER A 658 -9.204 9.915 6.440 1.00 31.51 O ATOM 0 H SER A 658 -8.426 10.185 4.157 1.00 23.12 H new ATOM 0 HA SER A 658 -7.618 7.576 4.609 1.00 40.41 H new ATOM 0 HB2 SER A 658 -8.218 8.179 6.984 1.00 13.30 H new ATOM 0 HB3 SER A 658 -7.222 9.378 6.184 1.00 13.30 H new ATOM 0 HG SER A 658 -10.065 9.619 6.076 1.00 31.51 H new ATOM 1133 N ASN A 659 -9.430 6.062 4.940 1.00 62.54 N ATOM 1134 CA ASN A 659 -10.446 5.047 4.957 1.00 13.40 C ATOM 1135 C ASN A 659 -9.858 3.830 5.621 1.00 21.05 C ATOM 1136 O ASN A 659 -8.671 3.593 5.512 1.00 73.34 O ATOM 1137 CB ASN A 659 -10.847 4.717 3.529 1.00 61.41 C ATOM 1138 CG ASN A 659 -11.926 3.677 3.437 1.00 74.02 C ATOM 1139 OD1 ASN A 659 -12.772 3.550 4.314 1.00 50.23 O ATOM 1140 ND2 ASN A 659 -11.894 2.933 2.397 1.00 2.53 N ATOM 0 H ASN A 659 -8.482 5.686 4.950 1.00 62.54 H new ATOM 0 HA ASN A 659 -11.330 5.385 5.498 1.00 13.40 H new ATOM 0 HB2 ASN A 659 -11.187 5.627 3.036 1.00 61.41 H new ATOM 0 HB3 ASN A 659 -9.969 4.368 2.985 1.00 61.41 H new ATOM 0 HD21 ASN A 659 -12.591 2.199 2.273 1.00 2.53 H new ATOM 0 HD22 ASN A 659 -11.171 3.074 1.691 1.00 2.53 H new ATOM 1146 N ALA A 660 -10.646 3.075 6.310 1.00 71.13 N ATOM 1147 CA ALA A 660 -10.122 1.939 7.014 1.00 4.05 C ATOM 1148 C ALA A 660 -10.803 0.681 6.584 1.00 51.35 C ATOM 1149 O ALA A 660 -10.543 -0.382 7.131 1.00 53.22 O ATOM 1150 CB ALA A 660 -10.250 2.131 8.514 1.00 73.23 C ATOM 0 H ALA A 660 -11.652 3.217 6.405 1.00 71.13 H new ATOM 0 HA ALA A 660 -9.064 1.851 6.768 1.00 4.05 H new ATOM 0 HB1 ALA A 660 -9.847 1.259 9.028 1.00 73.23 H new ATOM 0 HB2 ALA A 660 -9.694 3.019 8.816 1.00 73.23 H new ATOM 0 HB3 ALA A 660 -11.301 2.254 8.777 1.00 73.23 H new ATOM 1156 N LYS A 661 -11.650 0.788 5.593 1.00 4.04 N ATOM 1157 CA LYS A 661 -12.392 -0.351 5.137 1.00 72.13 C ATOM 1158 C LYS A 661 -11.538 -1.194 4.215 1.00 15.51 C ATOM 1159 O LYS A 661 -11.177 -0.764 3.112 1.00 44.15 O ATOM 1160 CB LYS A 661 -13.682 0.071 4.416 1.00 24.52 C ATOM 1161 CG LYS A 661 -14.567 1.018 5.197 1.00 35.22 C ATOM 1162 CD LYS A 661 -14.875 0.475 6.568 1.00 55.53 C ATOM 1163 CE LYS A 661 -15.915 1.315 7.254 1.00 31.21 C ATOM 1164 NZ LYS A 661 -15.477 2.715 7.427 1.00 31.41 N ATOM 0 H LYS A 661 -11.841 1.654 5.088 1.00 4.04 H new ATOM 0 HA LYS A 661 -12.671 -0.939 6.011 1.00 72.13 H new ATOM 0 HB2 LYS A 661 -13.415 0.543 3.470 1.00 24.52 H new ATOM 0 HB3 LYS A 661 -14.256 -0.824 4.175 1.00 24.52 H new ATOM 0 HG2 LYS A 661 -14.075 1.986 5.289 1.00 35.22 H new ATOM 0 HG3 LYS A 661 -15.496 1.183 4.652 1.00 35.22 H new ATOM 0 HD2 LYS A 661 -15.228 -0.553 6.486 1.00 55.53 H new ATOM 0 HD3 LYS A 661 -13.965 0.453 7.168 1.00 55.53 H new ATOM 0 HE2 LYS A 661 -16.837 1.294 6.673 1.00 31.21 H new ATOM 0 HE3 LYS A 661 -16.142 0.884 8.229 1.00 31.21 H new ATOM 0 HZ1 LYS A 661 -16.163 3.223 8.021 1.00 31.41 H new ATOM 0 HZ2 LYS A 661 -14.543 2.733 7.884 1.00 31.41 H new ATOM 0 HZ3 LYS A 661 -15.416 3.177 6.497 1.00 31.41 H new ATOM 1178 N LEU A 662 -11.195 -2.372 4.668 1.00 11.22 N ATOM 1179 CA LEU A 662 -10.456 -3.291 3.844 1.00 24.31 C ATOM 1180 C LEU A 662 -11.450 -4.040 2.995 1.00 1.14 C ATOM 1181 O LEU A 662 -12.588 -4.191 3.376 1.00 0.00 O ATOM 1182 CB LEU A 662 -9.659 -4.295 4.684 1.00 30.30 C ATOM 1183 CG LEU A 662 -8.596 -3.756 5.638 1.00 44.55 C ATOM 1184 CD1 LEU A 662 -7.841 -4.907 6.272 1.00 51.33 C ATOM 1185 CD2 LEU A 662 -7.644 -2.826 4.930 1.00 52.21 C ATOM 0 H LEU A 662 -11.416 -2.717 5.602 1.00 11.22 H new ATOM 0 HA LEU A 662 -9.744 -2.732 3.237 1.00 24.31 H new ATOM 0 HB2 LEU A 662 -10.370 -4.875 5.272 1.00 30.30 H new ATOM 0 HB3 LEU A 662 -9.171 -4.988 3.999 1.00 30.30 H new ATOM 0 HG LEU A 662 -9.097 -3.184 6.419 1.00 44.55 H new ATOM 0 HD11 LEU A 662 -7.084 -4.515 6.951 1.00 51.33 H new ATOM 0 HD12 LEU A 662 -8.536 -5.536 6.827 1.00 51.33 H new ATOM 0 HD13 LEU A 662 -7.359 -5.498 5.494 1.00 51.33 H new ATOM 0 HD21 LEU A 662 -6.900 -2.460 5.637 1.00 52.21 H new ATOM 0 HD22 LEU A 662 -7.145 -3.362 4.123 1.00 52.21 H new ATOM 0 HD23 LEU A 662 -8.198 -1.983 4.518 1.00 52.21 H new ATOM 1193 N SER A 663 -11.049 -4.478 1.864 1.00 63.11 N ATOM 1194 CA SER A 663 -11.921 -5.197 0.993 1.00 10.44 C ATOM 1195 C SER A 663 -11.302 -6.539 0.676 1.00 55.13 C ATOM 1196 O SER A 663 -10.095 -6.699 0.717 1.00 61.41 O ATOM 1197 CB SER A 663 -12.130 -4.390 -0.276 1.00 20.32 C ATOM 1198 OG SER A 663 -12.600 -3.084 0.043 1.00 72.24 O ATOM 0 H SER A 663 -10.102 -4.352 1.506 1.00 63.11 H new ATOM 0 HA SER A 663 -12.888 -5.359 1.469 1.00 10.44 H new ATOM 0 HB2 SER A 663 -11.194 -4.322 -0.831 1.00 20.32 H new ATOM 0 HB3 SER A 663 -12.848 -4.895 -0.923 1.00 20.32 H new ATOM 0 HG SER A 663 -12.730 -2.572 -0.783 1.00 72.24 H new ATOM 1204 N TYR A 664 -12.098 -7.485 0.416 1.00 5.44 N ATOM 1205 CA TYR A 664 -11.618 -8.769 0.086 1.00 14.31 C ATOM 1206 C TYR A 664 -12.288 -9.165 -1.204 1.00 52.33 C ATOM 1207 O TYR A 664 -13.504 -9.156 -1.297 1.00 3.33 O ATOM 1208 CB TYR A 664 -11.987 -9.753 1.205 1.00 21.12 C ATOM 1209 CG TYR A 664 -11.224 -11.060 1.211 1.00 72.41 C ATOM 1210 CD1 TYR A 664 -10.999 -11.777 0.052 1.00 54.32 C ATOM 1211 CD2 TYR A 664 -10.744 -11.577 2.397 1.00 60.33 C ATOM 1212 CE1 TYR A 664 -10.314 -12.965 0.066 1.00 53.22 C ATOM 1213 CE2 TYR A 664 -10.057 -12.768 2.420 1.00 73.31 C ATOM 1214 CZ TYR A 664 -9.847 -13.460 1.250 1.00 33.31 C ATOM 1215 OH TYR A 664 -9.156 -14.649 1.271 1.00 71.42 O ATOM 0 H TYR A 664 -13.114 -7.399 0.424 1.00 5.44 H new ATOM 0 HA TYR A 664 -10.534 -8.776 -0.027 1.00 14.31 H new ATOM 0 HB2 TYR A 664 -11.831 -9.259 2.164 1.00 21.12 H new ATOM 0 HB3 TYR A 664 -13.051 -9.976 1.131 1.00 21.12 H new ATOM 0 HD1 TYR A 664 -11.371 -11.393 -0.887 1.00 54.32 H new ATOM 0 HD2 TYR A 664 -10.910 -11.039 3.319 1.00 60.33 H new ATOM 0 HE1 TYR A 664 -10.145 -13.506 -0.854 1.00 53.22 H new ATOM 0 HE2 TYR A 664 -9.683 -13.159 3.355 1.00 73.31 H new ATOM 0 HH TYR A 664 -8.716 -14.756 2.140 1.00 71.42 H new ATOM 1225 N TYR A 665 -11.520 -9.445 -2.193 1.00 44.35 N ATOM 1226 CA TYR A 665 -12.049 -9.915 -3.428 1.00 14.35 C ATOM 1227 C TYR A 665 -11.661 -11.357 -3.494 1.00 64.02 C ATOM 1228 O TYR A 665 -10.572 -11.681 -3.058 1.00 12.12 O ATOM 1229 CB TYR A 665 -11.442 -9.142 -4.598 1.00 25.41 C ATOM 1230 CG TYR A 665 -12.158 -9.412 -5.881 1.00 3.11 C ATOM 1231 CD1 TYR A 665 -13.401 -8.861 -6.091 1.00 34.11 C ATOM 1232 CD2 TYR A 665 -11.625 -10.232 -6.863 1.00 2.43 C ATOM 1233 CE1 TYR A 665 -14.103 -9.101 -7.231 1.00 22.31 C ATOM 1234 CE2 TYR A 665 -12.326 -10.489 -8.023 1.00 22.11 C ATOM 1235 CZ TYR A 665 -13.571 -9.917 -8.201 1.00 21.02 C ATOM 1236 OH TYR A 665 -14.286 -10.165 -9.348 1.00 72.13 O ATOM 0 H TYR A 665 -10.504 -9.356 -2.173 1.00 44.35 H new ATOM 0 HA TYR A 665 -13.129 -9.780 -3.489 1.00 14.35 H new ATOM 0 HB2 TYR A 665 -11.475 -8.074 -4.383 1.00 25.41 H new ATOM 0 HB3 TYR A 665 -10.392 -9.413 -4.705 1.00 25.41 H new ATOM 0 HD1 TYR A 665 -13.830 -8.223 -5.333 1.00 34.11 H new ATOM 0 HD2 TYR A 665 -10.650 -10.675 -6.719 1.00 2.43 H new ATOM 0 HE1 TYR A 665 -15.075 -8.652 -7.374 1.00 22.31 H new ATOM 0 HE2 TYR A 665 -11.906 -11.130 -8.784 1.00 22.11 H new ATOM 0 HH TYR A 665 -13.771 -10.759 -9.933 1.00 72.13 H new ATOM 1246 N ASP A 666 -12.537 -12.230 -3.978 1.00 2.23 N ATOM 1247 CA ASP A 666 -12.231 -13.675 -3.996 1.00 24.41 C ATOM 1248 C ASP A 666 -10.842 -13.917 -4.573 1.00 54.13 C ATOM 1249 O ASP A 666 -10.561 -13.577 -5.737 1.00 74.05 O ATOM 1250 CB ASP A 666 -13.271 -14.447 -4.811 1.00 70.20 C ATOM 1251 CG ASP A 666 -13.072 -15.958 -4.750 1.00 20.32 C ATOM 1252 OD1 ASP A 666 -12.211 -16.503 -5.473 1.00 4.01 O ATOM 1253 OD2 ASP A 666 -13.782 -16.631 -3.967 1.00 12.25 O ATOM 0 H ASP A 666 -13.450 -11.980 -4.358 1.00 2.23 H new ATOM 0 HA ASP A 666 -12.260 -14.035 -2.968 1.00 24.41 H new ATOM 0 HB2 ASP A 666 -14.268 -14.202 -4.444 1.00 70.20 H new ATOM 0 HB3 ASP A 666 -13.225 -14.121 -5.850 1.00 70.20 H new ATOM 1258 N GLY A 667 -9.983 -14.484 -3.762 1.00 75.10 N ATOM 1259 CA GLY A 667 -8.627 -14.711 -4.155 1.00 4.44 C ATOM 1260 C GLY A 667 -7.627 -13.800 -3.435 1.00 54.33 C ATOM 1261 O GLY A 667 -6.633 -14.285 -2.887 1.00 5.52 O ATOM 0 H GLY A 667 -10.209 -14.797 -2.818 1.00 75.10 H new ATOM 0 HA2 GLY A 667 -8.368 -15.751 -3.957 1.00 4.44 H new ATOM 0 HA3 GLY A 667 -8.537 -14.559 -5.231 1.00 4.44 H new ATOM 1265 N MET A 668 -7.878 -12.481 -3.420 1.00 13.24 N ATOM 1266 CA MET A 668 -6.913 -11.529 -2.837 1.00 13.24 C ATOM 1267 C MET A 668 -7.597 -10.420 -2.054 1.00 33.20 C ATOM 1268 O MET A 668 -8.668 -9.941 -2.420 1.00 1.44 O ATOM 1269 CB MET A 668 -6.008 -10.847 -3.895 1.00 72.41 C ATOM 1270 CG MET A 668 -5.143 -11.760 -4.773 1.00 21.14 C ATOM 1271 SD MET A 668 -6.064 -12.701 -6.021 1.00 75.23 S ATOM 1272 CE MET A 668 -4.732 -13.631 -6.778 1.00 63.04 C ATOM 0 H MET A 668 -8.724 -12.053 -3.797 1.00 13.24 H new ATOM 0 HA MET A 668 -6.302 -12.145 -2.177 1.00 13.24 H new ATOM 0 HB2 MET A 668 -6.644 -10.252 -4.551 1.00 72.41 H new ATOM 0 HB3 MET A 668 -5.347 -10.152 -3.376 1.00 72.41 H new ATOM 0 HG2 MET A 668 -4.392 -11.152 -5.277 1.00 21.14 H new ATOM 0 HG3 MET A 668 -4.608 -12.460 -4.131 1.00 21.14 H new ATOM 0 HE1 MET A 668 -5.134 -14.263 -7.570 1.00 63.04 H new ATOM 0 HE2 MET A 668 -4.001 -12.941 -7.200 1.00 63.04 H new ATOM 0 HE3 MET A 668 -4.250 -14.255 -6.025 1.00 63.04 H new ATOM 1282 N ILE A 669 -6.952 -9.991 -1.009 1.00 23.30 N ATOM 1283 CA ILE A 669 -7.433 -8.894 -0.203 1.00 25.52 C ATOM 1284 C ILE A 669 -7.055 -7.590 -0.926 1.00 54.11 C ATOM 1285 O ILE A 669 -5.984 -7.500 -1.500 1.00 5.50 O ATOM 1286 CB ILE A 669 -6.838 -8.900 1.270 1.00 32.43 C ATOM 1287 CG1 ILE A 669 -7.218 -10.174 2.079 1.00 3.23 C ATOM 1288 CG2 ILE A 669 -7.251 -7.657 2.050 1.00 15.25 C ATOM 1289 CD1 ILE A 669 -6.575 -11.470 1.611 1.00 32.04 C ATOM 0 H ILE A 669 -6.071 -10.391 -0.685 1.00 23.30 H new ATOM 0 HA ILE A 669 -8.513 -8.989 -0.089 1.00 25.52 H new ATOM 0 HB ILE A 669 -5.755 -8.901 1.143 1.00 32.43 H new ATOM 0 HG12 ILE A 669 -6.948 -10.013 3.123 1.00 3.23 H new ATOM 0 HG13 ILE A 669 -8.301 -10.294 2.044 1.00 3.23 H new ATOM 0 HG21 ILE A 669 -6.825 -7.698 3.052 1.00 15.25 H new ATOM 0 HG22 ILE A 669 -6.886 -6.767 1.537 1.00 15.25 H new ATOM 0 HG23 ILE A 669 -8.338 -7.616 2.120 1.00 15.25 H new ATOM 0 HD11 ILE A 669 -6.909 -12.292 2.245 1.00 32.04 H new ATOM 0 HD12 ILE A 669 -6.864 -11.667 0.579 1.00 32.04 H new ATOM 0 HD13 ILE A 669 -5.490 -11.381 1.674 1.00 32.04 H new ATOM 1296 N GLN A 670 -7.940 -6.628 -0.939 1.00 5.44 N ATOM 1297 CA GLN A 670 -7.694 -5.355 -1.595 1.00 41.51 C ATOM 1298 C GLN A 670 -8.063 -4.215 -0.664 1.00 74.22 C ATOM 1299 O GLN A 670 -8.946 -4.346 0.155 1.00 44.15 O ATOM 1300 CB GLN A 670 -8.473 -5.241 -2.930 1.00 22.54 C ATOM 1301 CG GLN A 670 -7.973 -6.171 -4.053 1.00 73.11 C ATOM 1302 CD GLN A 670 -8.827 -6.123 -5.322 1.00 44.13 C ATOM 1303 OE1 GLN A 670 -10.103 -5.834 -5.178 1.00 30.13 O flip ATOM 1304 NE2 GLN A 670 -8.329 -6.342 -6.427 1.00 73.33 N flip ATOM 0 H GLN A 670 -8.856 -6.698 -0.496 1.00 5.44 H new ATOM 0 HA GLN A 670 -6.632 -5.296 -1.831 1.00 41.51 H new ATOM 0 HB2 GLN A 670 -9.524 -5.457 -2.740 1.00 22.54 H new ATOM 0 HB3 GLN A 670 -8.417 -4.210 -3.280 1.00 22.54 H new ATOM 0 HG2 GLN A 670 -6.948 -5.901 -4.306 1.00 73.11 H new ATOM 0 HG3 GLN A 670 -7.950 -7.195 -3.680 1.00 73.11 H new ATOM 0 HE21 GLN A 670 -7.336 -6.563 -6.504 1.00 73.33 H new ATOM 0 HE22 GLN A 670 -8.909 -6.302 -7.265 1.00 73.33 H new ATOM 1312 N LEU A 671 -7.396 -3.121 -0.763 1.00 75.51 N ATOM 1313 CA LEU A 671 -7.735 -1.998 0.072 1.00 53.53 C ATOM 1314 C LEU A 671 -8.129 -0.872 -0.855 1.00 61.53 C ATOM 1315 O LEU A 671 -7.373 -0.516 -1.753 1.00 62.33 O ATOM 1316 CB LEU A 671 -6.527 -1.595 0.953 1.00 64.14 C ATOM 1317 CG LEU A 671 -6.804 -0.793 2.251 1.00 21.23 C ATOM 1318 CD1 LEU A 671 -5.510 -0.465 2.970 1.00 73.53 C ATOM 1319 CD2 LEU A 671 -7.626 0.463 2.026 1.00 45.41 C ATOM 0 H LEU A 671 -6.617 -2.968 -1.404 1.00 75.51 H new ATOM 0 HA LEU A 671 -8.553 -2.243 0.749 1.00 53.53 H new ATOM 0 HB2 LEU A 671 -5.998 -2.507 1.231 1.00 64.14 H new ATOM 0 HB3 LEU A 671 -5.847 -1.007 0.337 1.00 64.14 H new ATOM 0 HG LEU A 671 -7.410 -1.443 2.882 1.00 21.23 H new ATOM 0 HD11 LEU A 671 -5.730 0.098 3.877 1.00 73.53 H new ATOM 0 HD12 LEU A 671 -4.995 -1.389 3.232 1.00 73.53 H new ATOM 0 HD13 LEU A 671 -4.873 0.133 2.318 1.00 73.53 H new ATOM 0 HD21 LEU A 671 -7.780 0.972 2.977 1.00 45.41 H new ATOM 0 HD22 LEU A 671 -7.097 1.126 1.341 1.00 45.41 H new ATOM 0 HD23 LEU A 671 -8.592 0.194 1.598 1.00 45.41 H new ATOM 1327 N THR A 672 -9.303 -0.350 -0.653 1.00 60.24 N ATOM 1328 CA THR A 672 -9.832 0.696 -1.477 1.00 33.53 C ATOM 1329 C THR A 672 -9.878 1.999 -0.677 1.00 33.01 C ATOM 1330 O THR A 672 -10.383 2.017 0.423 1.00 0.40 O ATOM 1331 CB THR A 672 -11.270 0.317 -1.900 1.00 54.01 C ATOM 1332 OG1 THR A 672 -11.251 -0.998 -2.484 1.00 34.11 O ATOM 1333 CG2 THR A 672 -11.817 1.303 -2.923 1.00 35.25 C ATOM 0 H THR A 672 -9.928 -0.643 0.098 1.00 60.24 H new ATOM 0 HA THR A 672 -9.202 0.828 -2.356 1.00 33.53 H new ATOM 0 HB THR A 672 -11.910 0.340 -1.018 1.00 54.01 H new ATOM 0 HG1 THR A 672 -12.159 -1.249 -2.754 1.00 34.11 H new ATOM 0 HG21 THR A 672 -12.830 1.013 -3.203 1.00 35.25 H new ATOM 0 HG22 THR A 672 -11.833 2.304 -2.491 1.00 35.25 H new ATOM 0 HG23 THR A 672 -11.181 1.299 -3.808 1.00 35.25 H new ATOM 1339 N TYR A 673 -9.314 3.052 -1.202 1.00 34.12 N ATOM 1340 CA TYR A 673 -9.412 4.349 -0.552 1.00 23.10 C ATOM 1341 C TYR A 673 -10.436 5.248 -1.212 1.00 65.53 C ATOM 1342 O TYR A 673 -11.076 4.855 -2.191 1.00 22.33 O ATOM 1343 CB TYR A 673 -8.062 5.031 -0.386 1.00 0.12 C ATOM 1344 CG TYR A 673 -7.264 4.500 0.777 1.00 32.23 C ATOM 1345 CD1 TYR A 673 -7.601 4.877 2.059 1.00 25.12 C ATOM 1346 CD2 TYR A 673 -6.206 3.612 0.610 1.00 61.42 C ATOM 1347 CE1 TYR A 673 -6.926 4.404 3.146 1.00 33.01 C ATOM 1348 CE2 TYR A 673 -5.520 3.120 1.714 1.00 1.12 C ATOM 1349 CZ TYR A 673 -5.896 3.531 2.984 1.00 74.13 C ATOM 1350 OH TYR A 673 -5.260 3.041 4.095 1.00 2.32 O ATOM 0 H TYR A 673 -8.783 3.048 -2.073 1.00 34.12 H new ATOM 0 HA TYR A 673 -9.775 4.153 0.457 1.00 23.10 H new ATOM 0 HB2 TYR A 673 -7.484 4.905 -1.302 1.00 0.12 H new ATOM 0 HB3 TYR A 673 -8.218 6.101 -0.252 1.00 0.12 H new ATOM 0 HD1 TYR A 673 -8.421 5.565 2.207 1.00 25.12 H new ATOM 0 HD2 TYR A 673 -5.916 3.303 -0.383 1.00 61.42 H new ATOM 0 HE1 TYR A 673 -7.210 4.724 4.138 1.00 33.01 H new ATOM 0 HE2 TYR A 673 -4.703 2.425 1.584 1.00 1.12 H new ATOM 0 HH TYR A 673 -4.307 2.920 3.900 1.00 2.32 H new ATOM 1360 N ARG A 674 -10.599 6.446 -0.667 1.00 63.20 N ATOM 1361 CA ARG A 674 -11.627 7.363 -1.131 1.00 71.53 C ATOM 1362 C ARG A 674 -11.210 8.112 -2.383 1.00 21.25 C ATOM 1363 O ARG A 674 -10.107 7.960 -2.870 1.00 44.44 O ATOM 1364 CB ARG A 674 -12.019 8.366 -0.040 1.00 73.20 C ATOM 1365 CG ARG A 674 -12.429 7.732 1.289 1.00 32.44 C ATOM 1366 CD ARG A 674 -13.538 6.698 1.132 1.00 54.14 C ATOM 1367 NE ARG A 674 -14.782 7.270 0.618 1.00 40.51 N ATOM 1368 CZ ARG A 674 -15.832 6.554 0.186 1.00 52.44 C ATOM 1369 NH1 ARG A 674 -15.752 5.226 0.088 1.00 13.41 N ATOM 1370 NH2 ARG A 674 -16.944 7.168 -0.173 1.00 41.00 N ATOM 0 H ARG A 674 -10.030 6.805 0.099 1.00 63.20 H new ATOM 0 HA ARG A 674 -12.492 6.747 -1.376 1.00 71.53 H new ATOM 0 HB2 ARG A 674 -11.179 9.038 0.137 1.00 73.20 H new ATOM 0 HB3 ARG A 674 -12.844 8.977 -0.406 1.00 73.20 H new ATOM 0 HG2 ARG A 674 -11.559 7.259 1.745 1.00 32.44 H new ATOM 0 HG3 ARG A 674 -12.761 8.514 1.972 1.00 32.44 H new ATOM 0 HD2 ARG A 674 -13.201 5.911 0.458 1.00 54.14 H new ATOM 0 HD3 ARG A 674 -13.731 6.230 2.097 1.00 54.14 H new ATOM 0 HE ARG A 674 -14.857 8.287 0.585 1.00 40.51 H new ATOM 0 HH11 ARG A 674 -14.888 4.747 0.342 1.00 13.41 H new ATOM 0 HH12 ARG A 674 -16.555 4.690 -0.241 1.00 13.41 H new ATOM 0 HH21 ARG A 674 -17.004 8.185 -0.122 1.00 41.00 H new ATOM 0 HH22 ARG A 674 -17.743 6.626 -0.502 1.00 41.00 H new ATOM 1382 N ASP A 675 -12.131 8.928 -2.860 1.00 73.23 N ATOM 1383 CA ASP A 675 -12.008 9.743 -4.080 1.00 45.14 C ATOM 1384 C ASP A 675 -10.747 10.643 -4.092 1.00 74.42 C ATOM 1385 O ASP A 675 -10.128 10.836 -5.126 1.00 53.32 O ATOM 1386 CB ASP A 675 -13.279 10.606 -4.224 1.00 64.04 C ATOM 1387 CG ASP A 675 -13.454 11.659 -3.139 1.00 74.35 C ATOM 1388 OD1 ASP A 675 -13.368 11.322 -1.934 1.00 30.00 O ATOM 1389 OD2 ASP A 675 -13.668 12.829 -3.474 1.00 22.33 O ATOM 0 H ASP A 675 -13.030 9.055 -2.395 1.00 73.23 H new ATOM 0 HA ASP A 675 -11.900 9.062 -4.924 1.00 45.14 H new ATOM 0 HB2 ASP A 675 -13.258 11.102 -5.194 1.00 64.04 H new ATOM 0 HB3 ASP A 675 -14.150 9.951 -4.220 1.00 64.04 H new ATOM 1394 N GLY A 676 -10.414 11.197 -2.947 1.00 55.02 N ATOM 1395 CA GLY A 676 -9.189 11.992 -2.810 1.00 72.24 C ATOM 1396 C GLY A 676 -9.186 13.269 -3.646 1.00 45.23 C ATOM 1397 O GLY A 676 -10.189 13.987 -3.699 1.00 74.14 O ATOM 0 H GLY A 676 -10.965 11.119 -2.093 1.00 55.02 H new ATOM 0 HA2 GLY A 676 -9.053 12.255 -1.761 1.00 72.24 H new ATOM 0 HA3 GLY A 676 -8.335 11.379 -3.098 1.00 72.24 H new ATOM 1401 N THR A 677 -8.060 13.553 -4.269 1.00 64.50 N ATOM 1402 CA THR A 677 -7.918 14.698 -5.136 1.00 31.11 C ATOM 1403 C THR A 677 -8.077 14.240 -6.584 1.00 31.54 C ATOM 1404 O THR A 677 -7.283 13.427 -7.070 1.00 63.50 O ATOM 1405 CB THR A 677 -6.528 15.382 -4.944 1.00 21.44 C ATOM 1406 OG1 THR A 677 -6.439 15.955 -3.631 1.00 34.31 O ATOM 1407 CG2 THR A 677 -6.262 16.456 -5.992 1.00 52.30 C ATOM 0 H THR A 677 -7.214 12.990 -4.185 1.00 64.50 H new ATOM 0 HA THR A 677 -8.686 15.430 -4.885 1.00 31.11 H new ATOM 0 HB THR A 677 -5.769 14.609 -5.065 1.00 21.44 H new ATOM 0 HG1 THR A 677 -5.563 16.380 -3.518 1.00 34.31 H new ATOM 0 HG21 THR A 677 -5.283 16.902 -5.816 1.00 52.30 H new ATOM 0 HG22 THR A 677 -6.283 16.008 -6.985 1.00 52.30 H new ATOM 0 HG23 THR A 677 -7.029 17.227 -5.925 1.00 52.30 H new ATOM 1413 N PRO A 678 -9.096 14.721 -7.293 1.00 14.22 N ATOM 1414 CA PRO A 678 -9.334 14.303 -8.648 1.00 52.12 C ATOM 1415 C PRO A 678 -8.318 14.896 -9.632 1.00 2.30 C ATOM 1416 O PRO A 678 -8.310 16.096 -9.873 1.00 72.12 O ATOM 1417 CB PRO A 678 -10.753 14.795 -8.926 1.00 4.11 C ATOM 1418 CG PRO A 678 -10.899 15.999 -8.063 1.00 55.52 C ATOM 1419 CD PRO A 678 -10.094 15.708 -6.826 1.00 41.22 C ATOM 0 HA PRO A 678 -9.225 13.226 -8.776 1.00 52.12 H new ATOM 0 HB2 PRO A 678 -10.890 15.041 -9.979 1.00 4.11 H new ATOM 0 HB3 PRO A 678 -11.494 14.035 -8.677 1.00 4.11 H new ATOM 0 HG2 PRO A 678 -10.531 16.891 -8.569 1.00 55.52 H new ATOM 0 HG3 PRO A 678 -11.945 16.180 -7.817 1.00 55.52 H new ATOM 0 HD2 PRO A 678 -9.618 16.607 -6.435 1.00 41.22 H new ATOM 0 HD3 PRO A 678 -10.716 15.304 -6.027 1.00 41.22 H new ATOM 1427 N TYR A 679 -7.494 13.985 -10.212 1.00 42.51 N ATOM 1428 CA TYR A 679 -6.375 14.282 -11.129 1.00 61.24 C ATOM 1429 C TYR A 679 -5.839 15.691 -11.053 1.00 70.21 C ATOM 1430 O TYR A 679 -4.953 15.970 -10.244 1.00 34.43 O ATOM 1431 CB TYR A 679 -6.621 13.828 -12.564 1.00 71.55 C ATOM 1432 CG TYR A 679 -6.500 12.328 -12.792 1.00 62.13 C ATOM 1433 CD1 TYR A 679 -7.446 11.445 -12.318 1.00 44.30 C ATOM 1434 CD2 TYR A 679 -5.433 11.815 -13.499 1.00 70.23 C ATOM 1435 CE1 TYR A 679 -7.339 10.089 -12.538 1.00 34.30 C ATOM 1436 CE2 TYR A 679 -5.317 10.462 -13.734 1.00 42.01 C ATOM 1437 CZ TYR A 679 -6.273 9.605 -13.252 1.00 34.01 C ATOM 1438 OH TYR A 679 -6.177 8.262 -13.500 1.00 54.33 O ATOM 0 H TYR A 679 -7.600 12.985 -10.043 1.00 42.51 H new ATOM 0 HA TYR A 679 -5.568 13.660 -10.743 1.00 61.24 H new ATOM 0 HB2 TYR A 679 -7.619 14.147 -12.864 1.00 71.55 H new ATOM 0 HB3 TYR A 679 -5.913 14.338 -13.217 1.00 71.55 H new ATOM 0 HD1 TYR A 679 -8.290 11.824 -11.762 1.00 44.30 H new ATOM 0 HD2 TYR A 679 -4.675 12.486 -13.875 1.00 70.23 H new ATOM 0 HE1 TYR A 679 -8.088 9.414 -12.152 1.00 34.30 H new ATOM 0 HE2 TYR A 679 -4.477 10.079 -14.295 1.00 42.01 H new ATOM 0 HH TYR A 679 -5.253 8.038 -13.738 1.00 54.33 H new ATOM 1533 N THR A 685 -11.486 13.633 -12.174 1.00 44.21 N ATOM 1534 CA THR A 685 -11.556 12.227 -11.980 1.00 42.42 C ATOM 1535 C THR A 685 -10.823 11.892 -10.690 1.00 5.42 C ATOM 1536 O THR A 685 -9.640 12.170 -10.578 1.00 54.20 O ATOM 1537 CB THR A 685 -10.886 11.515 -13.151 1.00 50.21 C ATOM 1538 OG1 THR A 685 -11.508 11.938 -14.371 1.00 55.24 O ATOM 1539 CG2 THR A 685 -11.015 10.022 -13.003 1.00 14.41 C ATOM 0 HA THR A 685 -12.595 11.903 -11.920 1.00 42.42 H new ATOM 0 HB THR A 685 -9.826 11.769 -13.167 1.00 50.21 H new ATOM 0 HG1 THR A 685 -11.914 12.820 -14.242 1.00 55.24 H new ATOM 0 HG21 THR A 685 -10.532 9.530 -13.847 1.00 14.41 H new ATOM 0 HG22 THR A 685 -10.537 9.706 -12.076 1.00 14.41 H new ATOM 0 HG23 THR A 685 -12.070 9.749 -12.979 1.00 14.41 H new ATOM 1545 N PRO A 686 -11.508 11.336 -9.698 1.00 25.32 N ATOM 1546 CA PRO A 686 -10.902 11.045 -8.394 1.00 51.30 C ATOM 1547 C PRO A 686 -9.752 10.047 -8.488 1.00 45.34 C ATOM 1548 O PRO A 686 -9.852 9.028 -9.177 1.00 13.30 O ATOM 1549 CB PRO A 686 -12.062 10.459 -7.580 1.00 55.41 C ATOM 1550 CG PRO A 686 -13.033 9.971 -8.595 1.00 55.04 C ATOM 1551 CD PRO A 686 -12.920 10.916 -9.752 1.00 11.21 C ATOM 0 HA PRO A 686 -10.460 11.936 -7.948 1.00 51.30 H new ATOM 0 HB2 PRO A 686 -11.723 9.648 -6.936 1.00 55.41 H new ATOM 0 HB3 PRO A 686 -12.511 11.213 -6.933 1.00 55.41 H new ATOM 0 HG2 PRO A 686 -12.801 8.950 -8.899 1.00 55.04 H new ATOM 0 HG3 PRO A 686 -14.047 9.962 -8.194 1.00 55.04 H new ATOM 0 HD2 PRO A 686 -13.161 10.428 -10.697 1.00 11.21 H new ATOM 0 HD3 PRO A 686 -13.598 11.763 -9.649 1.00 11.21 H new ATOM 1559 N ARG A 687 -8.655 10.359 -7.825 1.00 72.12 N ATOM 1560 CA ARG A 687 -7.536 9.457 -7.787 1.00 13.44 C ATOM 1561 C ARG A 687 -7.723 8.576 -6.598 1.00 62.43 C ATOM 1562 O ARG A 687 -7.837 9.067 -5.481 1.00 23.12 O ATOM 1563 CB ARG A 687 -6.196 10.183 -7.624 1.00 55.31 C ATOM 1564 CG ARG A 687 -5.860 11.218 -8.672 1.00 50.25 C ATOM 1565 CD ARG A 687 -4.461 11.762 -8.429 1.00 24.23 C ATOM 1566 NE ARG A 687 -4.142 12.922 -9.269 1.00 75.22 N ATOM 1567 CZ ARG A 687 -3.209 12.955 -10.237 1.00 13.43 C ATOM 1568 NH1 ARG A 687 -2.612 11.838 -10.650 1.00 33.44 N ATOM 1569 NH2 ARG A 687 -2.915 14.107 -10.818 1.00 22.21 N ATOM 0 H ARG A 687 -8.521 11.229 -7.309 1.00 72.12 H new ATOM 0 HA ARG A 687 -7.504 8.909 -8.729 1.00 13.44 H new ATOM 0 HB2 ARG A 687 -6.188 10.669 -6.649 1.00 55.31 H new ATOM 0 HB3 ARG A 687 -5.402 9.436 -7.615 1.00 55.31 H new ATOM 0 HG2 ARG A 687 -5.920 10.775 -9.666 1.00 50.25 H new ATOM 0 HG3 ARG A 687 -6.586 12.030 -8.640 1.00 50.25 H new ATOM 0 HD2 ARG A 687 -4.363 12.042 -7.380 1.00 24.23 H new ATOM 0 HD3 ARG A 687 -3.733 10.973 -8.617 1.00 24.23 H new ATOM 0 HE ARG A 687 -4.674 13.777 -9.105 1.00 75.22 H new ATOM 0 HH11 ARG A 687 -2.861 10.942 -10.231 1.00 33.44 H new ATOM 0 HH12 ARG A 687 -1.906 11.879 -11.385 1.00 33.44 H new ATOM 0 HH21 ARG A 687 -3.395 14.960 -10.531 1.00 22.21 H new ATOM 0 HH22 ARG A 687 -2.209 14.142 -11.553 1.00 22.21 H new ATOM 1581 N ALA A 688 -7.731 7.309 -6.807 1.00 2.35 N ATOM 1582 CA ALA A 688 -7.940 6.410 -5.714 1.00 4.03 C ATOM 1583 C ALA A 688 -6.855 5.383 -5.691 1.00 45.12 C ATOM 1584 O ALA A 688 -6.124 5.229 -6.666 1.00 75.03 O ATOM 1585 CB ALA A 688 -9.309 5.751 -5.821 1.00 4.15 C ATOM 0 H ALA A 688 -7.597 6.866 -7.716 1.00 2.35 H new ATOM 0 HA ALA A 688 -7.910 6.971 -4.780 1.00 4.03 H new ATOM 0 HB1 ALA A 688 -9.452 5.070 -4.982 1.00 4.15 H new ATOM 0 HB2 ALA A 688 -10.084 6.517 -5.803 1.00 4.15 H new ATOM 0 HB3 ALA A 688 -9.372 5.193 -6.755 1.00 4.15 H new ATOM 1591 N THR A 689 -6.731 4.707 -4.590 1.00 51.03 N ATOM 1592 CA THR A 689 -5.736 3.697 -4.423 1.00 33.22 C ATOM 1593 C THR A 689 -6.395 2.362 -4.131 1.00 43.21 C ATOM 1594 O THR A 689 -7.319 2.279 -3.305 1.00 22.10 O ATOM 1595 CB THR A 689 -4.778 4.071 -3.271 1.00 41.20 C ATOM 1596 OG1 THR A 689 -4.177 5.327 -3.557 1.00 14.54 O ATOM 1597 CG2 THR A 689 -3.683 3.030 -3.090 1.00 71.13 C ATOM 0 H THR A 689 -7.326 4.844 -3.773 1.00 51.03 H new ATOM 0 HA THR A 689 -5.162 3.619 -5.346 1.00 33.22 H new ATOM 0 HB THR A 689 -5.359 4.118 -2.350 1.00 41.20 H new ATOM 0 HG1 THR A 689 -4.803 6.047 -3.335 1.00 14.54 H new ATOM 0 HG21 THR A 689 -3.029 3.328 -2.270 1.00 71.13 H new ATOM 0 HG22 THR A 689 -4.133 2.064 -2.862 1.00 71.13 H new ATOM 0 HG23 THR A 689 -3.101 2.951 -4.008 1.00 71.13 H new ATOM 1603 N LEU A 690 -5.950 1.351 -4.823 1.00 13.03 N ATOM 1604 CA LEU A 690 -6.408 0.022 -4.625 1.00 61.45 C ATOM 1605 C LEU A 690 -5.165 -0.815 -4.398 1.00 52.24 C ATOM 1606 O LEU A 690 -4.312 -0.935 -5.275 1.00 5.35 O ATOM 1607 CB LEU A 690 -7.201 -0.458 -5.876 1.00 30.04 C ATOM 1608 CG LEU A 690 -8.012 -1.785 -5.787 1.00 34.24 C ATOM 1609 CD1 LEU A 690 -7.146 -2.996 -5.521 1.00 54.13 C ATOM 1610 CD2 LEU A 690 -9.105 -1.679 -4.746 1.00 10.43 C ATOM 0 H LEU A 690 -5.244 1.439 -5.554 1.00 13.03 H new ATOM 0 HA LEU A 690 -7.086 -0.059 -3.776 1.00 61.45 H new ATOM 0 HB2 LEU A 690 -7.896 0.336 -6.151 1.00 30.04 H new ATOM 0 HB3 LEU A 690 -6.492 -0.559 -6.697 1.00 30.04 H new ATOM 0 HG LEU A 690 -8.463 -1.932 -6.768 1.00 34.24 H new ATOM 0 HD11 LEU A 690 -7.772 -3.887 -5.471 1.00 54.13 H new ATOM 0 HD12 LEU A 690 -6.420 -3.108 -6.326 1.00 54.13 H new ATOM 0 HD13 LEU A 690 -6.621 -2.867 -4.574 1.00 54.13 H new ATOM 0 HD21 LEU A 690 -9.658 -2.617 -4.702 1.00 10.43 H new ATOM 0 HD22 LEU A 690 -8.661 -1.473 -3.772 1.00 10.43 H new ATOM 0 HD23 LEU A 690 -9.785 -0.870 -5.013 1.00 10.43 H new ATOM 1618 N ILE A 691 -5.043 -1.353 -3.239 1.00 73.35 N ATOM 1619 CA ILE A 691 -3.893 -2.155 -2.918 1.00 41.35 C ATOM 1620 C ILE A 691 -4.301 -3.609 -2.990 1.00 72.03 C ATOM 1621 O ILE A 691 -5.230 -4.007 -2.317 1.00 2.44 O ATOM 1622 CB ILE A 691 -3.379 -1.842 -1.493 1.00 63.44 C ATOM 1623 CG1 ILE A 691 -3.139 -0.335 -1.328 1.00 13.31 C ATOM 1624 CG2 ILE A 691 -2.086 -2.608 -1.228 1.00 75.24 C ATOM 1625 CD1 ILE A 691 -2.711 0.073 0.071 1.00 70.14 C ATOM 0 H ILE A 691 -5.723 -1.258 -2.485 1.00 73.35 H new ATOM 0 HA ILE A 691 -3.092 -1.936 -3.624 1.00 41.35 H new ATOM 0 HB ILE A 691 -4.135 -2.154 -0.772 1.00 63.44 H new ATOM 0 HG12 ILE A 691 -2.374 -0.020 -2.037 1.00 13.31 H new ATOM 0 HG13 ILE A 691 -4.053 0.199 -1.587 1.00 13.31 H new ATOM 0 HG21 ILE A 691 -1.729 -2.383 -0.223 1.00 75.24 H new ATOM 0 HG22 ILE A 691 -2.273 -3.678 -1.316 1.00 75.24 H new ATOM 0 HG23 ILE A 691 -1.331 -2.310 -1.956 1.00 75.24 H new ATOM 0 HD11 ILE A 691 -2.562 1.152 0.106 1.00 70.14 H new ATOM 0 HD12 ILE A 691 -3.485 -0.209 0.785 1.00 70.14 H new ATOM 0 HD13 ILE A 691 -1.779 -0.431 0.328 1.00 70.14 H new ATOM 1632 N THR A 692 -3.638 -4.370 -3.805 1.00 10.40 N ATOM 1633 CA THR A 692 -3.946 -5.747 -3.978 1.00 22.35 C ATOM 1634 C THR A 692 -2.920 -6.567 -3.190 1.00 62.41 C ATOM 1635 O THR A 692 -1.715 -6.507 -3.461 1.00 42.53 O ATOM 1636 CB THR A 692 -3.841 -6.094 -5.461 1.00 62.31 C ATOM 1637 OG1 THR A 692 -4.579 -5.113 -6.240 1.00 15.01 O ATOM 1638 CG2 THR A 692 -4.406 -7.475 -5.744 1.00 51.43 C ATOM 0 H THR A 692 -2.858 -4.043 -4.375 1.00 10.40 H new ATOM 0 HA THR A 692 -4.954 -5.964 -3.624 1.00 22.35 H new ATOM 0 HB THR A 692 -2.787 -6.086 -5.738 1.00 62.31 H new ATOM 0 HG1 THR A 692 -4.511 -5.333 -7.192 1.00 15.01 H new ATOM 0 HG21 THR A 692 -4.317 -7.693 -6.808 1.00 51.43 H new ATOM 0 HG22 THR A 692 -3.851 -8.219 -5.173 1.00 51.43 H new ATOM 0 HG23 THR A 692 -5.456 -7.505 -5.454 1.00 51.43 H new ATOM 1644 N PHE A 693 -3.394 -7.295 -2.230 1.00 35.35 N ATOM 1645 CA PHE A 693 -2.556 -8.060 -1.342 1.00 70.22 C ATOM 1646 C PHE A 693 -2.441 -9.475 -1.806 1.00 24.53 C ATOM 1647 O PHE A 693 -3.445 -10.134 -2.086 1.00 50.51 O ATOM 1648 CB PHE A 693 -3.139 -8.041 0.052 1.00 32.51 C ATOM 1649 CG PHE A 693 -3.191 -6.673 0.683 1.00 35.02 C ATOM 1650 CD1 PHE A 693 -4.120 -5.746 0.279 1.00 23.21 C ATOM 1651 CD2 PHE A 693 -2.317 -6.330 1.698 1.00 12.31 C ATOM 1652 CE1 PHE A 693 -4.186 -4.517 0.859 1.00 40.15 C ATOM 1653 CE2 PHE A 693 -2.374 -5.091 2.283 1.00 42.12 C ATOM 1654 CZ PHE A 693 -3.312 -4.184 1.863 1.00 64.24 C ATOM 0 H PHE A 693 -4.391 -7.381 -2.032 1.00 35.35 H new ATOM 0 HA PHE A 693 -1.563 -7.610 -1.337 1.00 70.22 H new ATOM 0 HB2 PHE A 693 -4.148 -8.451 0.017 1.00 32.51 H new ATOM 0 HB3 PHE A 693 -2.549 -8.700 0.689 1.00 32.51 H new ATOM 0 HD1 PHE A 693 -4.810 -5.997 -0.513 1.00 23.21 H new ATOM 0 HD2 PHE A 693 -1.581 -7.046 2.034 1.00 12.31 H new ATOM 0 HE1 PHE A 693 -4.926 -3.803 0.529 1.00 40.15 H new ATOM 0 HE2 PHE A 693 -1.683 -4.831 3.071 1.00 42.12 H new ATOM 0 HZ PHE A 693 -3.363 -3.208 2.322 1.00 64.24 H new ATOM 1664 N LEU A 694 -1.237 -9.941 -1.875 1.00 41.35 N ATOM 1665 CA LEU A 694 -0.955 -11.270 -2.309 1.00 60.22 C ATOM 1666 C LEU A 694 -0.169 -11.948 -1.223 1.00 55.51 C ATOM 1667 O LEU A 694 0.326 -11.284 -0.293 1.00 61.13 O ATOM 1668 CB LEU A 694 -0.088 -11.238 -3.570 1.00 55.54 C ATOM 1669 CG LEU A 694 -0.546 -10.318 -4.698 1.00 12.34 C ATOM 1670 CD1 LEU A 694 0.385 -10.411 -5.866 1.00 12.24 C ATOM 1671 CD2 LEU A 694 -1.964 -10.602 -5.133 1.00 0.21 C ATOM 0 H LEU A 694 -0.408 -9.400 -1.627 1.00 41.35 H new ATOM 0 HA LEU A 694 -1.887 -11.794 -2.521 1.00 60.22 H new ATOM 0 HB2 LEU A 694 0.921 -10.944 -3.281 1.00 55.54 H new ATOM 0 HB3 LEU A 694 -0.024 -12.252 -3.964 1.00 55.54 H new ATOM 0 HG LEU A 694 -0.526 -9.301 -4.306 1.00 12.34 H new ATOM 0 HD11 LEU A 694 0.041 -9.748 -6.659 1.00 12.24 H new ATOM 0 HD12 LEU A 694 1.388 -10.117 -5.556 1.00 12.24 H new ATOM 0 HD13 LEU A 694 0.405 -11.437 -6.234 1.00 12.24 H new ATOM 0 HD21 LEU A 694 -2.241 -9.921 -5.937 1.00 0.21 H new ATOM 0 HD22 LEU A 694 -2.037 -11.630 -5.487 1.00 0.21 H new ATOM 0 HD23 LEU A 694 -2.639 -10.460 -4.289 1.00 0.21 H new ATOM 1679 N CYS A 695 -0.030 -13.222 -1.333 1.00 23.52 N ATOM 1680 CA CYS A 695 0.755 -13.965 -0.389 1.00 13.24 C ATOM 1681 C CYS A 695 2.215 -13.780 -0.762 1.00 70.23 C ATOM 1682 O CYS A 695 2.576 -13.864 -1.944 1.00 2.24 O ATOM 1683 CB CYS A 695 0.364 -15.443 -0.389 1.00 73.24 C ATOM 1684 SG CYS A 695 1.253 -16.425 0.860 1.00 31.11 S ATOM 0 H CYS A 695 -0.451 -13.784 -2.073 1.00 23.52 H new ATOM 0 HA CYS A 695 0.577 -13.599 0.622 1.00 13.24 H new ATOM 0 HB2 CYS A 695 -0.708 -15.528 -0.212 1.00 73.24 H new ATOM 0 HB3 CYS A 695 0.558 -15.863 -1.376 1.00 73.24 H new ATOM 1745 N GLY A 700 7.361 -10.583 4.362 1.00 4.20 N ATOM 1746 CA GLY A 700 7.132 -10.602 5.792 1.00 31.31 C ATOM 1747 C GLY A 700 5.985 -9.715 6.157 1.00 74.43 C ATOM 1748 O GLY A 700 4.821 -10.072 5.924 1.00 74.33 O ATOM 0 HA2 GLY A 700 6.928 -11.622 6.119 1.00 31.31 H new ATOM 0 HA3 GLY A 700 8.031 -10.274 6.313 1.00 31.31 H new ATOM 1752 N VAL A 701 6.294 -8.541 6.708 1.00 44.22 N ATOM 1753 CA VAL A 701 5.264 -7.559 7.020 1.00 1.02 C ATOM 1754 C VAL A 701 4.630 -7.114 5.711 1.00 60.43 C ATOM 1755 O VAL A 701 3.418 -6.880 5.615 1.00 63.44 O ATOM 1756 CB VAL A 701 5.831 -6.325 7.813 1.00 14.23 C ATOM 1757 CG1 VAL A 701 6.846 -5.504 7.004 1.00 2.23 C ATOM 1758 CG2 VAL A 701 4.709 -5.446 8.355 1.00 34.11 C ATOM 0 H VAL A 701 7.243 -8.251 6.945 1.00 44.22 H new ATOM 0 HA VAL A 701 4.521 -8.019 7.671 1.00 1.02 H new ATOM 0 HB VAL A 701 6.378 -6.735 8.662 1.00 14.23 H new ATOM 0 HG11 VAL A 701 7.200 -4.667 7.606 1.00 2.23 H new ATOM 0 HG12 VAL A 701 7.690 -6.137 6.731 1.00 2.23 H new ATOM 0 HG13 VAL A 701 6.369 -5.125 6.100 1.00 2.23 H new ATOM 0 HG21 VAL A 701 5.137 -4.603 8.897 1.00 34.11 H new ATOM 0 HG22 VAL A 701 4.105 -5.076 7.527 1.00 34.11 H new ATOM 0 HG23 VAL A 701 4.082 -6.030 9.029 1.00 34.11 H new ATOM 1764 N GLY A 702 5.457 -7.056 4.703 1.00 61.02 N ATOM 1765 CA GLY A 702 5.006 -6.762 3.419 1.00 45.43 C ATOM 1766 C GLY A 702 5.626 -5.543 2.829 1.00 43.23 C ATOM 1767 O GLY A 702 5.948 -4.575 3.525 1.00 42.11 O ATOM 0 H GLY A 702 6.462 -7.216 4.775 1.00 61.02 H new ATOM 0 HA2 GLY A 702 5.209 -7.613 2.769 1.00 45.43 H new ATOM 0 HA3 GLY A 702 3.924 -6.632 3.445 1.00 45.43 H new ATOM 1771 N PHE A 703 5.826 -5.615 1.565 1.00 2.14 N ATOM 1772 CA PHE A 703 6.357 -4.538 0.776 1.00 33.12 C ATOM 1773 C PHE A 703 5.421 -4.254 -0.374 1.00 3.10 C ATOM 1774 O PHE A 703 5.211 -5.121 -1.238 1.00 4.01 O ATOM 1775 CB PHE A 703 7.744 -4.877 0.213 1.00 24.32 C ATOM 1776 CG PHE A 703 8.812 -5.052 1.242 1.00 54.01 C ATOM 1777 CD1 PHE A 703 9.486 -3.956 1.739 1.00 52.13 C ATOM 1778 CD2 PHE A 703 9.148 -6.308 1.710 1.00 64.54 C ATOM 1779 CE1 PHE A 703 10.473 -4.105 2.681 1.00 3.35 C ATOM 1780 CE2 PHE A 703 10.137 -6.465 2.654 1.00 32.14 C ATOM 1781 CZ PHE A 703 10.800 -5.362 3.141 1.00 24.51 C ATOM 0 H PHE A 703 5.620 -6.452 1.020 1.00 2.14 H new ATOM 0 HA PHE A 703 6.453 -3.665 1.422 1.00 33.12 H new ATOM 0 HB2 PHE A 703 7.669 -5.794 -0.372 1.00 24.32 H new ATOM 0 HB3 PHE A 703 8.046 -4.085 -0.473 1.00 24.32 H new ATOM 0 HD1 PHE A 703 9.234 -2.968 1.382 1.00 52.13 H new ATOM 0 HD2 PHE A 703 8.629 -7.176 1.331 1.00 64.54 H new ATOM 0 HE1 PHE A 703 10.993 -3.238 3.061 1.00 3.35 H new ATOM 0 HE2 PHE A 703 10.392 -7.452 3.012 1.00 32.14 H new ATOM 0 HZ PHE A 703 11.576 -5.481 3.883 1.00 24.51 H new ATOM 1791 N PRO A 704 4.805 -3.076 -0.391 1.00 43.34 N ATOM 1792 CA PRO A 704 3.954 -2.683 -1.485 1.00 74.25 C ATOM 1793 C PRO A 704 4.780 -2.300 -2.707 1.00 3.04 C ATOM 1794 O PRO A 704 5.867 -1.720 -2.594 1.00 3.32 O ATOM 1795 CB PRO A 704 3.200 -1.469 -0.948 1.00 4.14 C ATOM 1796 CG PRO A 704 4.080 -0.906 0.113 1.00 25.22 C ATOM 1797 CD PRO A 704 4.880 -2.053 0.663 1.00 24.33 C ATOM 0 HA PRO A 704 3.291 -3.486 -1.806 1.00 74.25 H new ATOM 0 HB2 PRO A 704 3.016 -0.739 -1.736 1.00 4.14 H new ATOM 0 HB3 PRO A 704 2.229 -1.755 -0.544 1.00 4.14 H new ATOM 0 HG2 PRO A 704 4.736 -0.137 -0.296 1.00 25.22 H new ATOM 0 HG3 PRO A 704 3.488 -0.435 0.898 1.00 25.22 H new ATOM 0 HD2 PRO A 704 5.911 -1.761 0.863 1.00 24.33 H new ATOM 0 HD3 PRO A 704 4.463 -2.416 1.602 1.00 24.33 H new ATOM 1805 N GLU A 705 4.283 -2.641 -3.848 1.00 44.30 N ATOM 1806 CA GLU A 705 4.938 -2.352 -5.077 1.00 1.32 C ATOM 1807 C GLU A 705 3.966 -1.658 -6.009 1.00 43.41 C ATOM 1808 O GLU A 705 2.848 -2.133 -6.215 1.00 52.05 O ATOM 1809 CB GLU A 705 5.416 -3.665 -5.688 1.00 43.34 C ATOM 1810 CG GLU A 705 6.116 -3.512 -7.007 1.00 42.32 C ATOM 1811 CD GLU A 705 6.547 -4.819 -7.584 1.00 72.01 C ATOM 1812 OE1 GLU A 705 7.666 -5.287 -7.291 1.00 51.54 O ATOM 1813 OE2 GLU A 705 5.770 -5.396 -8.364 1.00 31.20 O ATOM 0 H GLU A 705 3.397 -3.136 -3.954 1.00 44.30 H new ATOM 0 HA GLU A 705 5.792 -1.695 -4.913 1.00 1.32 H new ATOM 0 HB2 GLU A 705 6.091 -4.155 -4.986 1.00 43.34 H new ATOM 0 HB3 GLU A 705 4.559 -4.325 -5.819 1.00 43.34 H new ATOM 0 HG2 GLU A 705 5.452 -3.010 -7.710 1.00 42.32 H new ATOM 0 HG3 GLU A 705 6.988 -2.871 -6.879 1.00 42.32 H new ATOM 1820 N TYR A 706 4.380 -0.558 -6.577 1.00 1.41 N ATOM 1821 CA TYR A 706 3.533 0.171 -7.483 1.00 23.23 C ATOM 1822 C TYR A 706 3.518 -0.505 -8.823 1.00 22.21 C ATOM 1823 O TYR A 706 4.569 -0.760 -9.412 1.00 34.13 O ATOM 1824 CB TYR A 706 3.958 1.645 -7.591 1.00 64.44 C ATOM 1825 CG TYR A 706 3.185 2.439 -8.619 1.00 73.32 C ATOM 1826 CD1 TYR A 706 1.804 2.566 -8.545 1.00 22.45 C ATOM 1827 CD2 TYR A 706 3.843 3.056 -9.673 1.00 20.11 C ATOM 1828 CE1 TYR A 706 1.106 3.280 -9.483 1.00 33.42 C ATOM 1829 CE2 TYR A 706 3.156 3.776 -10.614 1.00 42.10 C ATOM 1830 CZ TYR A 706 1.792 3.888 -10.523 1.00 44.32 C ATOM 1831 OH TYR A 706 1.113 4.620 -11.468 1.00 23.42 O ATOM 0 H TYR A 706 5.301 -0.146 -6.428 1.00 1.41 H new ATOM 0 HA TYR A 706 2.517 0.169 -7.087 1.00 23.23 H new ATOM 0 HB2 TYR A 706 3.837 2.119 -6.617 1.00 64.44 H new ATOM 0 HB3 TYR A 706 5.019 1.688 -7.837 1.00 64.44 H new ATOM 0 HD1 TYR A 706 1.271 2.093 -7.733 1.00 22.45 H new ATOM 0 HD2 TYR A 706 4.916 2.967 -9.753 1.00 20.11 H new ATOM 0 HE1 TYR A 706 0.032 3.368 -9.413 1.00 33.42 H new ATOM 0 HE2 TYR A 706 3.686 4.254 -11.425 1.00 42.10 H new ATOM 0 HH TYR A 706 1.748 4.977 -12.124 1.00 23.42 H new ATOM 1841 N GLN A 707 2.335 -0.832 -9.285 1.00 42.32 N ATOM 1842 CA GLN A 707 2.202 -1.493 -10.549 1.00 55.14 C ATOM 1843 C GLN A 707 2.087 -0.486 -11.671 1.00 23.13 C ATOM 1844 O GLN A 707 3.072 -0.163 -12.324 1.00 25.45 O ATOM 1845 CB GLN A 707 0.999 -2.444 -10.556 1.00 23.43 C ATOM 1846 CG GLN A 707 1.066 -3.537 -9.506 1.00 12.20 C ATOM 1847 CD GLN A 707 2.290 -4.417 -9.651 1.00 4.03 C ATOM 1848 OE1 GLN A 707 2.265 -5.420 -10.361 1.00 10.14 O ATOM 1849 NE2 GLN A 707 3.352 -4.065 -8.965 1.00 42.40 N ATOM 0 H GLN A 707 1.456 -0.649 -8.801 1.00 42.32 H new ATOM 0 HA GLN A 707 3.102 -2.087 -10.708 1.00 55.14 H new ATOM 0 HB2 GLN A 707 0.090 -1.863 -10.402 1.00 23.43 H new ATOM 0 HB3 GLN A 707 0.920 -2.905 -11.540 1.00 23.43 H new ATOM 0 HG2 GLN A 707 1.066 -3.083 -8.515 1.00 12.20 H new ATOM 0 HG3 GLN A 707 0.170 -4.154 -9.573 1.00 12.20 H new ATOM 0 HE21 GLN A 707 3.331 -3.224 -8.388 1.00 42.40 H new ATOM 0 HE22 GLN A 707 4.199 -4.632 -9.009 1.00 42.40 H new ATOM 1857 N GLU A 708 0.894 0.045 -11.843 1.00 45.33 N ATOM 1858 CA GLU A 708 0.603 0.954 -12.918 1.00 55.32 C ATOM 1859 C GLU A 708 -0.764 1.578 -12.728 1.00 70.31 C ATOM 1860 O GLU A 708 -1.759 0.877 -12.509 1.00 22.44 O ATOM 1861 CB GLU A 708 0.673 0.200 -14.263 1.00 33.22 C ATOM 1862 CG GLU A 708 -0.194 -1.061 -14.313 1.00 64.11 C ATOM 1863 CD GLU A 708 -0.066 -1.819 -15.600 1.00 15.54 C ATOM 1864 OE1 GLU A 708 0.866 -2.643 -15.724 1.00 50.21 O ATOM 1865 OE2 GLU A 708 -0.898 -1.614 -16.507 1.00 23.13 O ATOM 0 H GLU A 708 0.098 -0.147 -11.234 1.00 45.33 H new ATOM 0 HA GLU A 708 1.343 1.755 -12.920 1.00 55.32 H new ATOM 0 HB2 GLU A 708 0.364 0.873 -15.062 1.00 33.22 H new ATOM 0 HB3 GLU A 708 1.709 -0.075 -14.461 1.00 33.22 H new ATOM 0 HG2 GLU A 708 0.081 -1.715 -13.485 1.00 64.11 H new ATOM 0 HG3 GLU A 708 -1.237 -0.782 -14.166 1.00 64.11 H new ATOM 1872 N GLU A 709 -0.809 2.874 -12.711 1.00 21.25 N ATOM 1873 CA GLU A 709 -2.073 3.554 -12.687 1.00 34.53 C ATOM 1874 C GLU A 709 -2.537 3.684 -14.124 1.00 1.11 C ATOM 1875 O GLU A 709 -1.815 4.217 -14.977 1.00 22.22 O ATOM 1876 CB GLU A 709 -1.934 4.919 -11.990 1.00 64.52 C ATOM 1877 CG GLU A 709 -3.238 5.680 -11.682 1.00 43.54 C ATOM 1878 CD GLU A 709 -3.948 6.239 -12.879 1.00 3.41 C ATOM 1879 OE1 GLU A 709 -3.612 7.367 -13.298 1.00 72.22 O ATOM 1880 OE2 GLU A 709 -4.849 5.590 -13.398 1.00 41.24 O ATOM 0 H GLU A 709 0.009 3.483 -12.713 1.00 21.25 H new ATOM 0 HA GLU A 709 -2.815 2.997 -12.115 1.00 34.53 H new ATOM 0 HB2 GLU A 709 -1.400 4.768 -11.052 1.00 64.52 H new ATOM 0 HB3 GLU A 709 -1.308 5.557 -12.614 1.00 64.52 H new ATOM 0 HG2 GLU A 709 -3.917 5.008 -11.158 1.00 43.54 H new ATOM 0 HG3 GLU A 709 -3.010 6.499 -11.000 1.00 43.54 H new ATOM 1887 N ASP A 710 -3.715 3.230 -14.376 1.00 51.34 N ATOM 1888 CA ASP A 710 -4.285 3.229 -15.711 1.00 51.43 C ATOM 1889 C ASP A 710 -5.777 3.240 -15.599 1.00 25.04 C ATOM 1890 O ASP A 710 -6.481 4.000 -16.276 1.00 34.51 O ATOM 1891 CB ASP A 710 -3.823 1.984 -16.458 1.00 24.43 C ATOM 1892 CG ASP A 710 -4.457 1.826 -17.812 1.00 34.44 C ATOM 1893 OD1 ASP A 710 -4.137 2.606 -18.730 1.00 15.52 O ATOM 1894 OD2 ASP A 710 -5.287 0.901 -17.977 1.00 40.22 O ATOM 0 H ASP A 710 -4.331 2.840 -13.663 1.00 51.34 H new ATOM 0 HA ASP A 710 -3.957 4.111 -16.261 1.00 51.43 H new ATOM 0 HB2 ASP A 710 -2.740 2.021 -16.575 1.00 24.43 H new ATOM 0 HB3 ASP A 710 -4.048 1.104 -15.855 1.00 24.43 H new ATOM 1899 N ASN A 711 -6.239 2.423 -14.701 1.00 54.21 N ATOM 1900 CA ASN A 711 -7.645 2.249 -14.379 1.00 33.43 C ATOM 1901 C ASN A 711 -8.161 3.344 -13.421 1.00 61.45 C ATOM 1902 O ASN A 711 -9.107 3.116 -12.669 1.00 3.41 O ATOM 1903 CB ASN A 711 -7.818 0.839 -13.769 1.00 74.54 C ATOM 1904 CG ASN A 711 -6.838 0.560 -12.631 1.00 61.51 C ATOM 1905 OD1 ASN A 711 -5.715 0.113 -12.873 1.00 54.33 O ATOM 1906 ND2 ASN A 711 -7.243 0.773 -11.406 1.00 53.13 N ATOM 0 H ASN A 711 -5.628 1.828 -14.141 1.00 54.21 H new ATOM 0 HA ASN A 711 -8.241 2.344 -15.286 1.00 33.43 H new ATOM 0 HB2 ASN A 711 -8.837 0.731 -13.399 1.00 74.54 H new ATOM 0 HB3 ASN A 711 -7.682 0.091 -14.550 1.00 74.54 H new ATOM 0 HD21 ASN A 711 -6.624 0.568 -10.621 1.00 53.13 H new ATOM 0 HD22 ASN A 711 -8.178 1.144 -11.235 1.00 53.13 H new ATOM 1912 N SER A 712 -7.530 4.543 -13.470 1.00 10.24 N ATOM 1913 CA SER A 712 -7.882 5.751 -12.661 1.00 43.13 C ATOM 1914 C SER A 712 -7.645 5.563 -11.161 1.00 23.12 C ATOM 1915 O SER A 712 -7.865 6.452 -10.340 1.00 73.02 O ATOM 1916 CB SER A 712 -9.287 6.349 -13.008 1.00 35.10 C ATOM 1917 OG SER A 712 -10.356 5.403 -12.893 1.00 50.33 O ATOM 0 H SER A 712 -6.737 4.708 -14.090 1.00 10.24 H new ATOM 0 HA SER A 712 -7.172 6.519 -12.966 1.00 43.13 H new ATOM 0 HB2 SER A 712 -9.487 7.193 -12.348 1.00 35.10 H new ATOM 0 HB3 SER A 712 -9.266 6.739 -14.026 1.00 35.10 H new ATOM 0 HG SER A 712 -10.037 4.605 -12.422 1.00 50.33 H new ATOM 1923 N THR A 713 -7.179 4.416 -10.830 1.00 40.25 N ATOM 1924 CA THR A 713 -6.917 4.039 -9.508 1.00 74.24 C ATOM 1925 C THR A 713 -5.527 3.437 -9.465 1.00 10.13 C ATOM 1926 O THR A 713 -5.151 2.665 -10.353 1.00 73.43 O ATOM 1927 CB THR A 713 -7.971 3.008 -9.073 1.00 44.20 C ATOM 1928 OG1 THR A 713 -9.280 3.571 -9.267 1.00 35.12 O ATOM 1929 CG2 THR A 713 -7.813 2.606 -7.623 1.00 61.44 C ATOM 0 H THR A 713 -6.963 3.688 -11.511 1.00 40.25 H new ATOM 0 HA THR A 713 -6.964 4.892 -8.831 1.00 74.24 H new ATOM 0 HB THR A 713 -7.836 2.113 -9.680 1.00 44.20 H new ATOM 0 HG1 THR A 713 -9.960 2.920 -8.994 1.00 35.12 H new ATOM 0 HG21 THR A 713 -8.580 1.876 -7.362 1.00 61.44 H new ATOM 0 HG22 THR A 713 -6.827 2.166 -7.473 1.00 61.44 H new ATOM 0 HG23 THR A 713 -7.918 3.486 -6.988 1.00 61.44 H new ATOM 1935 N TYR A 714 -4.767 3.817 -8.488 1.00 4.32 N ATOM 1936 CA TYR A 714 -3.440 3.324 -8.339 1.00 72.54 C ATOM 1937 C TYR A 714 -3.480 1.975 -7.704 1.00 63.34 C ATOM 1938 O TYR A 714 -3.965 1.826 -6.593 1.00 4.23 O ATOM 1939 CB TYR A 714 -2.601 4.281 -7.484 1.00 32.20 C ATOM 1940 CG TYR A 714 -2.368 5.627 -8.117 1.00 24.45 C ATOM 1941 CD1 TYR A 714 -3.328 6.626 -8.068 1.00 32.04 C ATOM 1942 CD2 TYR A 714 -1.181 5.896 -8.773 1.00 74.44 C ATOM 1943 CE1 TYR A 714 -3.104 7.849 -8.655 1.00 14.20 C ATOM 1944 CE2 TYR A 714 -0.952 7.113 -9.361 1.00 63.13 C ATOM 1945 CZ TYR A 714 -1.913 8.086 -9.298 1.00 64.21 C ATOM 1946 OH TYR A 714 -1.686 9.301 -9.887 1.00 64.14 O ATOM 0 H TYR A 714 -5.053 4.481 -7.769 1.00 4.32 H new ATOM 0 HA TYR A 714 -2.978 3.250 -9.324 1.00 72.54 H new ATOM 0 HB2 TYR A 714 -3.098 4.424 -6.524 1.00 32.20 H new ATOM 0 HB3 TYR A 714 -1.637 3.817 -7.278 1.00 32.20 H new ATOM 0 HD1 TYR A 714 -4.264 6.441 -7.562 1.00 32.04 H new ATOM 0 HD2 TYR A 714 -0.419 5.132 -8.823 1.00 74.44 H new ATOM 0 HE1 TYR A 714 -3.860 8.619 -8.611 1.00 14.20 H new ATOM 0 HE2 TYR A 714 -0.019 7.303 -9.871 1.00 63.13 H new ATOM 0 HH TYR A 714 -1.029 9.802 -9.361 1.00 64.14 H new ATOM 1956 N ASN A 715 -2.988 1.003 -8.403 1.00 14.41 N ATOM 1957 CA ASN A 715 -2.903 -0.326 -7.871 1.00 21.11 C ATOM 1958 C ASN A 715 -1.525 -0.631 -7.404 1.00 53.44 C ATOM 1959 O ASN A 715 -0.525 -0.465 -8.138 1.00 53.43 O ATOM 1960 CB ASN A 715 -3.347 -1.389 -8.874 1.00 55.30 C ATOM 1961 CG ASN A 715 -4.861 -1.590 -8.942 1.00 31.42 C ATOM 1962 OD1 ASN A 715 -5.567 -0.921 -9.710 1.00 50.43 O ATOM 1963 ND2 ASN A 715 -5.378 -2.538 -8.151 1.00 11.41 N ATOM 0 H ASN A 715 -2.634 1.103 -9.354 1.00 14.41 H new ATOM 0 HA ASN A 715 -3.588 -0.356 -7.024 1.00 21.11 H new ATOM 0 HB2 ASN A 715 -2.983 -1.114 -9.864 1.00 55.30 H new ATOM 0 HB3 ASN A 715 -2.877 -2.337 -8.614 1.00 55.30 H new ATOM 0 HD21 ASN A 715 -6.380 -2.727 -8.169 1.00 11.41 H new ATOM 0 HD22 ASN A 715 -4.770 -3.071 -7.530 1.00 11.41 H new ATOM 1969 N PHE A 716 -1.463 -1.055 -6.188 1.00 10.22 N ATOM 1970 CA PHE A 716 -0.254 -1.467 -5.571 1.00 34.54 C ATOM 1971 C PHE A 716 -0.344 -2.919 -5.283 1.00 64.20 C ATOM 1972 O PHE A 716 -1.393 -3.418 -4.923 1.00 12.41 O ATOM 1973 CB PHE A 716 0.021 -0.694 -4.277 1.00 31.34 C ATOM 1974 CG PHE A 716 0.328 0.757 -4.485 1.00 10.22 C ATOM 1975 CD1 PHE A 716 -0.685 1.687 -4.632 1.00 71.45 C ATOM 1976 CD2 PHE A 716 1.638 1.186 -4.538 1.00 54.43 C ATOM 1977 CE1 PHE A 716 -0.391 3.020 -4.829 1.00 40.23 C ATOM 1978 CE2 PHE A 716 1.938 2.513 -4.734 1.00 52.31 C ATOM 1979 CZ PHE A 716 0.923 3.430 -4.880 1.00 44.32 C ATOM 0 H PHE A 716 -2.278 -1.126 -5.579 1.00 10.22 H new ATOM 0 HA PHE A 716 0.572 -1.260 -6.251 1.00 34.54 H new ATOM 0 HB2 PHE A 716 -0.847 -0.781 -3.623 1.00 31.34 H new ATOM 0 HB3 PHE A 716 0.858 -1.161 -3.759 1.00 31.34 H new ATOM 0 HD1 PHE A 716 -1.716 1.367 -4.592 1.00 71.45 H new ATOM 0 HD2 PHE A 716 2.438 0.470 -4.424 1.00 54.43 H new ATOM 0 HE1 PHE A 716 -1.188 3.740 -4.943 1.00 40.23 H new ATOM 0 HE2 PHE A 716 2.968 2.835 -4.773 1.00 52.31 H new ATOM 0 HZ PHE A 716 1.157 4.473 -5.035 1.00 44.32 H new ATOM 1989 N ARG A 717 0.725 -3.585 -5.463 1.00 13.12 N ATOM 1990 CA ARG A 717 0.800 -4.977 -5.217 1.00 31.34 C ATOM 1991 C ARG A 717 1.546 -5.186 -3.921 1.00 54.20 C ATOM 1992 O ARG A 717 2.700 -4.813 -3.803 1.00 41.45 O ATOM 1993 CB ARG A 717 1.482 -5.656 -6.411 1.00 62.23 C ATOM 1994 CG ARG A 717 1.754 -7.111 -6.217 1.00 31.21 C ATOM 1995 CD ARG A 717 2.121 -7.817 -7.520 1.00 61.14 C ATOM 1996 NE ARG A 717 3.392 -7.381 -8.115 1.00 1.22 N ATOM 1997 CZ ARG A 717 3.963 -7.983 -9.178 1.00 51.40 C ATOM 1998 NH1 ARG A 717 3.361 -9.010 -9.772 1.00 10.10 N ATOM 1999 NH2 ARG A 717 5.119 -7.555 -9.634 1.00 31.34 N ATOM 0 H ARG A 717 1.598 -3.173 -5.794 1.00 13.12 H new ATOM 0 HA ARG A 717 -0.188 -5.426 -5.112 1.00 31.34 H new ATOM 0 HB2 ARG A 717 0.854 -5.530 -7.293 1.00 62.23 H new ATOM 0 HB3 ARG A 717 2.424 -5.146 -6.615 1.00 62.23 H new ATOM 0 HG2 ARG A 717 2.566 -7.233 -5.500 1.00 31.21 H new ATOM 0 HG3 ARG A 717 0.874 -7.587 -5.785 1.00 31.21 H new ATOM 0 HD2 ARG A 717 2.171 -8.890 -7.335 1.00 61.14 H new ATOM 0 HD3 ARG A 717 1.322 -7.655 -8.243 1.00 61.14 H new ATOM 0 HE ARG A 717 3.868 -6.579 -7.701 1.00 1.22 H new ATOM 0 HH11 ARG A 717 2.463 -9.346 -9.424 1.00 10.10 H new ATOM 0 HH12 ARG A 717 3.797 -9.462 -10.576 1.00 10.10 H new ATOM 0 HH21 ARG A 717 5.585 -6.767 -9.184 1.00 31.34 H new ATOM 0 HH22 ARG A 717 5.550 -8.011 -10.438 1.00 31.34 H new ATOM 2011 N TRP A 718 0.884 -5.758 -2.957 1.00 75.14 N ATOM 2012 CA TRP A 718 1.446 -5.905 -1.643 1.00 71.34 C ATOM 2013 C TRP A 718 1.625 -7.377 -1.329 1.00 42.41 C ATOM 2014 O TRP A 718 0.661 -8.121 -1.254 1.00 60.42 O ATOM 2015 CB TRP A 718 0.487 -5.275 -0.615 1.00 3.24 C ATOM 2016 CG TRP A 718 1.059 -5.070 0.765 1.00 42.34 C ATOM 2017 CD1 TRP A 718 1.619 -6.004 1.583 1.00 12.32 C ATOM 2018 CD2 TRP A 718 1.074 -3.844 1.497 1.00 0.10 C ATOM 2019 NE1 TRP A 718 2.005 -5.423 2.764 1.00 41.54 N ATOM 2020 CE2 TRP A 718 1.681 -4.105 2.734 1.00 63.32 C ATOM 2021 CE3 TRP A 718 0.640 -2.546 1.223 1.00 20.43 C ATOM 2022 CZ2 TRP A 718 1.865 -3.124 3.688 1.00 74.33 C ATOM 2023 CZ3 TRP A 718 0.823 -1.574 2.178 1.00 60.34 C ATOM 2024 CH2 TRP A 718 1.431 -1.869 3.393 1.00 62.45 C ATOM 0 H TRP A 718 -0.058 -6.135 -3.058 1.00 75.14 H new ATOM 0 HA TRP A 718 2.415 -5.407 -1.600 1.00 71.34 H new ATOM 0 HB2 TRP A 718 0.154 -4.311 -0.998 1.00 3.24 H new ATOM 0 HB3 TRP A 718 -0.397 -5.908 -0.533 1.00 3.24 H new ATOM 0 HD1 TRP A 718 1.741 -7.049 1.338 1.00 12.32 H new ATOM 0 HE1 TRP A 718 2.462 -5.903 3.539 1.00 41.54 H new ATOM 0 HE3 TRP A 718 0.170 -2.310 0.280 1.00 20.43 H new ATOM 0 HZ2 TRP A 718 2.336 -3.345 4.634 1.00 74.33 H new ATOM 0 HZ3 TRP A 718 0.489 -0.566 1.981 1.00 60.34 H new ATOM 0 HH2 TRP A 718 1.562 -1.082 4.121 1.00 62.45 H new ATOM 2035 N TYR A 719 2.841 -7.792 -1.165 1.00 53.14 N ATOM 2036 CA TYR A 719 3.120 -9.148 -0.752 1.00 22.22 C ATOM 2037 C TYR A 719 3.283 -9.175 0.746 1.00 31.40 C ATOM 2038 O TYR A 719 4.205 -8.569 1.269 1.00 53.31 O ATOM 2039 CB TYR A 719 4.385 -9.683 -1.423 1.00 61.53 C ATOM 2040 CG TYR A 719 4.264 -9.907 -2.908 1.00 42.12 C ATOM 2041 CD1 TYR A 719 4.556 -8.902 -3.813 1.00 41.23 C ATOM 2042 CD2 TYR A 719 3.867 -11.139 -3.404 1.00 51.41 C ATOM 2043 CE1 TYR A 719 4.451 -9.118 -5.169 1.00 11.32 C ATOM 2044 CE2 TYR A 719 3.762 -11.364 -4.754 1.00 65.22 C ATOM 2045 CZ TYR A 719 4.055 -10.353 -5.633 1.00 15.21 C ATOM 2046 OH TYR A 719 3.944 -10.572 -6.989 1.00 51.54 O ATOM 0 H TYR A 719 3.668 -7.213 -1.310 1.00 53.14 H new ATOM 0 HA TYR A 719 2.289 -9.786 -1.053 1.00 22.22 H new ATOM 0 HB2 TYR A 719 5.200 -8.983 -1.240 1.00 61.53 H new ATOM 0 HB3 TYR A 719 4.661 -10.625 -0.949 1.00 61.53 H new ATOM 0 HD1 TYR A 719 4.871 -7.934 -3.451 1.00 41.23 H new ATOM 0 HD2 TYR A 719 3.636 -11.938 -2.715 1.00 51.41 H new ATOM 0 HE1 TYR A 719 4.678 -8.324 -5.865 1.00 11.32 H new ATOM 0 HE2 TYR A 719 3.451 -12.331 -5.121 1.00 65.22 H new ATOM 0 HH TYR A 719 3.655 -11.495 -7.149 1.00 51.54 H new ATOM 2056 N THR A 720 2.382 -9.829 1.435 1.00 54.13 N ATOM 2057 CA THR A 720 2.441 -9.892 2.875 1.00 65.41 C ATOM 2058 C THR A 720 2.051 -11.269 3.388 1.00 72.01 C ATOM 2059 O THR A 720 1.144 -11.912 2.847 1.00 43.23 O ATOM 2060 CB THR A 720 1.569 -8.792 3.555 1.00 45.10 C ATOM 2061 OG1 THR A 720 1.655 -8.897 4.982 1.00 72.35 O ATOM 2062 CG2 THR A 720 0.113 -8.885 3.129 1.00 54.51 C ATOM 0 H THR A 720 1.595 -10.328 1.020 1.00 54.13 H new ATOM 0 HA THR A 720 3.479 -9.702 3.147 1.00 65.41 H new ATOM 0 HB THR A 720 1.959 -7.826 3.234 1.00 45.10 H new ATOM 0 HG1 THR A 720 2.257 -8.204 5.325 1.00 72.35 H new ATOM 0 HG21 THR A 720 -0.462 -8.102 3.624 1.00 54.51 H new ATOM 0 HG22 THR A 720 0.041 -8.760 2.049 1.00 54.51 H new ATOM 0 HG23 THR A 720 -0.286 -9.860 3.408 1.00 54.51 H new ATOM 2068 N SER A 721 2.745 -11.717 4.422 1.00 34.42 N ATOM 2069 CA SER A 721 2.479 -12.992 5.060 1.00 33.30 C ATOM 2070 C SER A 721 1.076 -12.996 5.671 1.00 60.41 C ATOM 2071 O SER A 721 0.458 -14.042 5.859 1.00 42.14 O ATOM 2072 CB SER A 721 3.540 -13.248 6.125 1.00 4.12 C ATOM 2073 OG SER A 721 4.842 -13.185 5.551 1.00 1.12 O ATOM 0 H SER A 721 3.516 -11.199 4.844 1.00 34.42 H new ATOM 0 HA SER A 721 2.521 -13.790 4.319 1.00 33.30 H new ATOM 0 HB2 SER A 721 3.450 -12.510 6.922 1.00 4.12 H new ATOM 0 HB3 SER A 721 3.382 -14.227 6.578 1.00 4.12 H new ATOM 0 HG SER A 721 5.514 -13.349 6.245 1.00 1.12 H new ATOM 2079 N TYR A 722 0.580 -11.806 5.956 1.00 14.51 N ATOM 2080 CA TYR A 722 -0.715 -11.626 6.539 1.00 35.53 C ATOM 2081 C TYR A 722 -1.830 -11.818 5.519 1.00 14.12 C ATOM 2082 O TYR A 722 -2.985 -11.911 5.883 1.00 64.24 O ATOM 2083 CB TYR A 722 -0.798 -10.264 7.213 1.00 73.31 C ATOM 2084 CG TYR A 722 0.171 -10.120 8.370 1.00 24.02 C ATOM 2085 CD1 TYR A 722 1.489 -9.722 8.161 1.00 23.32 C ATOM 2086 CD2 TYR A 722 -0.230 -10.392 9.670 1.00 33.42 C ATOM 2087 CE1 TYR A 722 2.371 -9.604 9.210 1.00 31.12 C ATOM 2088 CE2 TYR A 722 0.649 -10.271 10.726 1.00 13.11 C ATOM 2089 CZ TYR A 722 1.949 -9.877 10.488 1.00 51.15 C ATOM 2090 OH TYR A 722 2.834 -9.766 11.540 1.00 23.23 O ATOM 0 H TYR A 722 1.080 -10.934 5.783 1.00 14.51 H new ATOM 0 HA TYR A 722 -0.856 -12.396 7.298 1.00 35.53 H new ATOM 0 HB2 TYR A 722 -0.595 -9.486 6.476 1.00 73.31 H new ATOM 0 HB3 TYR A 722 -1.814 -10.104 7.574 1.00 73.31 H new ATOM 0 HD1 TYR A 722 1.824 -9.502 7.158 1.00 23.32 H new ATOM 0 HD2 TYR A 722 -1.247 -10.704 9.858 1.00 33.42 H new ATOM 0 HE1 TYR A 722 3.391 -9.298 9.029 1.00 31.12 H new ATOM 0 HE2 TYR A 722 0.321 -10.483 11.733 1.00 13.11 H new ATOM 0 HH TYR A 722 2.377 -9.993 12.377 1.00 23.23 H new ATOM 2100 N ALA A 723 -1.472 -11.881 4.243 1.00 64.44 N ATOM 2101 CA ALA A 723 -2.449 -12.125 3.185 1.00 74.41 C ATOM 2102 C ALA A 723 -2.413 -13.589 2.795 1.00 43.20 C ATOM 2103 O ALA A 723 -3.024 -14.015 1.804 1.00 50.31 O ATOM 2104 CB ALA A 723 -2.176 -11.247 1.978 1.00 75.42 C ATOM 0 H ALA A 723 -0.513 -11.767 3.914 1.00 64.44 H new ATOM 0 HA ALA A 723 -3.442 -11.874 3.559 1.00 74.41 H new ATOM 0 HB1 ALA A 723 -2.918 -11.449 1.206 1.00 75.42 H new ATOM 0 HB2 ALA A 723 -2.233 -10.199 2.270 1.00 75.42 H new ATOM 0 HB3 ALA A 723 -1.180 -11.462 1.590 1.00 75.42 H new ATOM 2110 N CYS A 724 -1.721 -14.356 3.591 1.00 74.13 N ATOM 2111 CA CYS A 724 -1.600 -15.765 3.383 1.00 64.42 C ATOM 2112 C CYS A 724 -2.444 -16.452 4.451 1.00 24.43 C ATOM 2113 O CYS A 724 -2.386 -16.061 5.623 1.00 15.44 O ATOM 2114 CB CYS A 724 -0.137 -16.192 3.560 1.00 2.25 C ATOM 2115 SG CYS A 724 1.077 -15.294 2.531 1.00 53.33 S ATOM 0 H CYS A 724 -1.221 -14.012 4.411 1.00 74.13 H new ATOM 0 HA CYS A 724 -1.929 -16.033 2.379 1.00 64.42 H new ATOM 0 HB2 CYS A 724 0.136 -16.064 4.607 1.00 2.25 H new ATOM 0 HB3 CYS A 724 -0.058 -17.256 3.338 1.00 2.25 H new ATOM 2120 N PRO A 725 -3.255 -17.445 4.076 1.00 72.10 N ATOM 2121 CA PRO A 725 -4.119 -18.158 5.023 1.00 41.12 C ATOM 2122 C PRO A 725 -3.314 -19.052 5.975 1.00 42.04 C ATOM 2123 O PRO A 725 -2.874 -18.567 7.029 1.00 39.07 O ATOM 2124 CB PRO A 725 -5.016 -19.006 4.112 1.00 72.43 C ATOM 2125 CG PRO A 725 -4.199 -19.216 2.885 1.00 5.41 C ATOM 2126 CD PRO A 725 -3.404 -17.957 2.701 1.00 53.30 C ATOM 2127 OXT PRO A 725 -3.109 -20.240 5.668 1.00 39.07 O ATOM 0 HA PRO A 725 -4.673 -17.478 5.671 1.00 41.12 H new ATOM 0 HB2 PRO A 725 -5.278 -19.954 4.582 1.00 72.43 H new ATOM 0 HB3 PRO A 725 -5.951 -18.493 3.885 1.00 72.43 H new ATOM 0 HG2 PRO A 725 -3.543 -20.080 2.995 1.00 5.41 H new ATOM 0 HG3 PRO A 725 -4.835 -19.407 2.020 1.00 5.41 H new ATOM 0 HD2 PRO A 725 -2.437 -18.156 2.239 1.00 53.30 H new ATOM 0 HD3 PRO A 725 -3.923 -17.244 2.060 1.00 53.30 H new