USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 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 :FLIP amide:sc= -1.45 F(o=-3.4,f=-2.7) USER MOD Set 1.3: A 715 ASN :FLIP amide:sc= -1.29 F(o=-3.4!,f=-2.7) USER MOD Set 2.1: A 640 SER OG : rot -160:sc= -0.0729 USER MOD Set 2.2: A 654 ASN : amide:sc= 0.851 K(o=0.78,f=-9.3!) USER MOD Set 3.1: A 644 GLN : amide:sc= -0.467 K(o=0.46,f=-1.7!) USER MOD Set 3.2: A 714 TYR OH : rot -15:sc= 0.928 USER MOD Single : A 587 THR OG1 : rot -149:sc= 0.216 USER MOD Single : A 591 ASN : amide:sc= -0.808 K(o=-0.81,f=-3.5!) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= 0.00787 USER MOD Single : A 598 GLN : amide:sc= 0.243 K(o=0.24,f=-1.8!) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 609 THR OG1 : rot -75:sc= 1.26 USER MOD Single : A 610 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.102) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 180:sc= -0.832 USER MOD Single : A 615 LYS NZ :NH3+ -164:sc= 0.735 (180deg=0.598) USER MOD Single : A 618 THR OG1 : rot -11:sc= 0.812 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-6.1!) USER MOD Single : A 626 ASN : amide:sc= 0.65 K(o=0.65,f=-6.4!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 646 SER OG : rot 180:sc= 0.724 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.07) USER MOD Single : A 652 SER OG : rot -160:sc= 1.26 USER MOD Single : A 658 SER OG : rot 32:sc= 0.362 USER MOD Single : A 659 ASN : amide:sc= -2.98 K(o=-3,f=-4.3!) USER MOD Single : A 661 LYS NZ :NH3+ 176:sc= 0.823 (180deg=0.82) USER MOD Single : A 663 SER OG : rot -7:sc= 1.24 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 670 GLN :FLIP amide:sc= -0.663 F(o=-2.3,f=-0.66) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -144:sc= 1.31 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 679 TYR OH : rot 46:sc= -0.767 USER MOD Single : A 685 THR OG1 : rot 30:sc= 0.0511 USER MOD Single : A 689 THR OG1 : rot 78:sc= 1.11 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.411 USER MOD Single : A 707 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.45) USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 165:sc= 0.688 USER MOD Single : A 720 THR OG1 : rot 104:sc= 0.911 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 -16.252 -9.090 0.018 1.00 2.14 N ATOM 137 CA THR A 587 -16.718 -8.802 1.339 1.00 73.13 C ATOM 138 C THR A 587 -16.166 -7.414 1.686 1.00 54.31 C ATOM 139 O THR A 587 -15.039 -7.077 1.275 1.00 3.02 O ATOM 140 CB THR A 587 -16.224 -9.869 2.384 1.00 64.02 C ATOM 141 OG1 THR A 587 -16.975 -9.753 3.600 1.00 12.53 O ATOM 142 CG2 THR A 587 -14.774 -9.654 2.732 1.00 3.44 C ATOM 0 HA THR A 587 -17.807 -8.830 1.375 1.00 73.13 H new ATOM 0 HB THR A 587 -16.360 -10.852 1.932 1.00 64.02 H new ATOM 0 HG1 THR A 587 -16.411 -10.011 4.359 1.00 12.53 H new ATOM 0 HG21 THR A 587 -14.458 -10.405 3.456 1.00 3.44 H new ATOM 0 HG22 THR A 587 -14.167 -9.741 1.831 1.00 3.44 H new ATOM 0 HG23 THR A 587 -14.646 -8.660 3.161 1.00 3.44 H new ATOM 148 N GLU A 588 -16.938 -6.598 2.349 1.00 3.14 N ATOM 149 CA GLU A 588 -16.463 -5.284 2.711 1.00 50.55 C ATOM 150 C GLU A 588 -16.236 -5.215 4.212 1.00 73.22 C ATOM 151 O GLU A 588 -17.124 -5.565 5.008 1.00 11.25 O ATOM 152 CB GLU A 588 -17.454 -4.199 2.276 1.00 24.34 C ATOM 153 CG GLU A 588 -16.940 -2.771 2.471 1.00 13.30 C ATOM 154 CD GLU A 588 -15.736 -2.449 1.588 1.00 15.24 C ATOM 155 OE1 GLU A 588 -14.629 -2.942 1.868 1.00 21.41 O ATOM 156 OE2 GLU A 588 -15.896 -1.679 0.603 1.00 41.41 O ATOM 0 H GLU A 588 -17.889 -6.813 2.649 1.00 3.14 H new ATOM 0 HA GLU A 588 -15.520 -5.105 2.194 1.00 50.55 H new ATOM 0 HB2 GLU A 588 -17.698 -4.346 1.224 1.00 24.34 H new ATOM 0 HB3 GLU A 588 -18.380 -4.321 2.838 1.00 24.34 H new ATOM 0 HG2 GLU A 588 -17.743 -2.068 2.252 1.00 13.30 H new ATOM 0 HG3 GLU A 588 -16.667 -2.628 3.516 1.00 13.30 H new ATOM 163 N GLY A 589 -15.070 -4.809 4.591 1.00 54.35 N ATOM 164 CA GLY A 589 -14.744 -4.641 5.969 1.00 73.45 C ATOM 165 C GLY A 589 -14.911 -3.205 6.366 1.00 42.25 C ATOM 166 O GLY A 589 -15.294 -2.378 5.538 1.00 43.05 O ATOM 0 H GLY A 589 -14.311 -4.583 3.949 1.00 54.35 H new ATOM 0 HA2 GLY A 589 -15.386 -5.273 6.582 1.00 73.45 H new ATOM 0 HA3 GLY A 589 -13.717 -4.959 6.149 1.00 73.45 H new ATOM 170 N ASP A 590 -14.633 -2.890 7.598 1.00 30.33 N ATOM 171 CA ASP A 590 -14.799 -1.525 8.066 1.00 41.45 C ATOM 172 C ASP A 590 -13.531 -0.985 8.683 1.00 51.52 C ATOM 173 O ASP A 590 -13.119 0.129 8.382 1.00 52.02 O ATOM 174 CB ASP A 590 -15.973 -1.409 9.036 1.00 30.10 C ATOM 175 CG ASP A 590 -16.145 -0.007 9.569 1.00 14.42 C ATOM 176 OD1 ASP A 590 -16.708 0.848 8.861 1.00 45.21 O ATOM 177 OD2 ASP A 590 -15.726 0.262 10.721 1.00 42.01 O ATOM 0 H ASP A 590 -14.292 -3.547 8.300 1.00 30.33 H new ATOM 0 HA ASP A 590 -15.023 -0.912 7.193 1.00 41.45 H new ATOM 0 HB2 ASP A 590 -16.889 -1.718 8.532 1.00 30.10 H new ATOM 0 HB3 ASP A 590 -15.821 -2.095 9.869 1.00 30.10 H new ATOM 182 N ASN A 591 -12.929 -1.755 9.558 1.00 14.44 N ATOM 183 CA ASN A 591 -11.667 -1.364 10.178 1.00 24.25 C ATOM 184 C ASN A 591 -10.533 -2.036 9.389 1.00 43.10 C ATOM 185 O ASN A 591 -10.809 -2.753 8.439 1.00 1.53 O ATOM 186 CB ASN A 591 -11.650 -1.788 11.673 1.00 64.42 C ATOM 187 CG ASN A 591 -10.420 -1.312 12.444 1.00 64.24 C ATOM 188 OD1 ASN A 591 -9.847 -0.271 12.141 1.00 74.31 O ATOM 189 ND2 ASN A 591 -10.005 -2.070 13.422 1.00 44.21 N ATOM 0 H ASN A 591 -13.287 -2.660 9.863 1.00 14.44 H new ATOM 0 HA ASN A 591 -11.539 -0.282 10.152 1.00 24.25 H new ATOM 0 HB2 ASN A 591 -12.544 -1.398 12.160 1.00 64.42 H new ATOM 0 HB3 ASN A 591 -11.704 -2.875 11.732 1.00 64.42 H new ATOM 0 HD21 ASN A 591 -9.181 -1.802 13.960 1.00 44.21 H new ATOM 0 HD22 ASN A 591 -10.505 -2.930 13.648 1.00 44.21 H new ATOM 195 N CYS A 592 -9.276 -1.826 9.783 1.00 12.45 N ATOM 196 CA CYS A 592 -8.113 -2.373 9.101 1.00 11.32 C ATOM 197 C CYS A 592 -8.023 -3.940 9.219 1.00 50.15 C ATOM 198 O CYS A 592 -6.949 -4.522 9.039 1.00 3.12 O ATOM 199 CB CYS A 592 -6.868 -1.772 9.730 1.00 53.53 C ATOM 200 SG CYS A 592 -7.094 -0.116 10.479 1.00 25.11 S ATOM 0 H CYS A 592 -9.039 -1.261 10.599 1.00 12.45 H new ATOM 0 HA CYS A 592 -8.199 -2.126 8.043 1.00 11.32 H new ATOM 0 HB2 CYS A 592 -6.503 -2.454 10.498 1.00 53.53 H new ATOM 0 HB3 CYS A 592 -6.091 -1.706 8.968 1.00 53.53 H new ATOM 205 N THR A 593 -9.134 -4.601 9.494 1.00 54.40 N ATOM 206 CA THR A 593 -9.188 -6.036 9.542 1.00 53.44 C ATOM 207 C THR A 593 -10.286 -6.487 8.585 1.00 33.42 C ATOM 208 O THR A 593 -11.299 -5.792 8.428 1.00 44.14 O ATOM 209 CB THR A 593 -9.510 -6.540 10.981 1.00 4.33 C ATOM 210 OG1 THR A 593 -10.743 -5.961 11.447 1.00 43.23 O ATOM 211 CG2 THR A 593 -8.404 -6.173 11.952 1.00 3.24 C ATOM 0 H THR A 593 -10.025 -4.146 9.690 1.00 54.40 H new ATOM 0 HA THR A 593 -8.220 -6.449 9.257 1.00 53.44 H new ATOM 0 HB THR A 593 -9.599 -7.625 10.936 1.00 4.33 H new ATOM 0 HG1 THR A 593 -10.936 -6.286 12.351 1.00 43.23 H new ATOM 0 HG21 THR A 593 -8.658 -6.538 12.947 1.00 3.24 H new ATOM 0 HG22 THR A 593 -7.468 -6.627 11.626 1.00 3.24 H new ATOM 0 HG23 THR A 593 -8.290 -5.089 11.981 1.00 3.24 H new ATOM 217 N VAL A 594 -10.115 -7.611 7.949 1.00 73.15 N ATOM 218 CA VAL A 594 -11.116 -8.067 7.024 1.00 71.24 C ATOM 219 C VAL A 594 -11.529 -9.494 7.327 1.00 51.05 C ATOM 220 O VAL A 594 -10.693 -10.351 7.626 1.00 14.21 O ATOM 221 CB VAL A 594 -10.666 -7.917 5.528 1.00 21.03 C ATOM 222 CG1 VAL A 594 -9.461 -8.788 5.189 1.00 22.15 C ATOM 223 CG2 VAL A 594 -11.820 -8.181 4.569 1.00 23.34 C ATOM 0 H VAL A 594 -9.304 -8.222 8.050 1.00 73.15 H new ATOM 0 HA VAL A 594 -11.984 -7.422 7.158 1.00 71.24 H new ATOM 0 HB VAL A 594 -10.353 -6.881 5.403 1.00 21.03 H new ATOM 0 HG11 VAL A 594 -9.192 -8.646 4.142 1.00 22.15 H new ATOM 0 HG12 VAL A 594 -8.619 -8.507 5.822 1.00 22.15 H new ATOM 0 HG13 VAL A 594 -9.709 -9.835 5.360 1.00 22.15 H new ATOM 0 HG21 VAL A 594 -11.473 -8.068 3.542 1.00 23.34 H new ATOM 0 HG22 VAL A 594 -12.192 -9.195 4.717 1.00 23.34 H new ATOM 0 HG23 VAL A 594 -12.623 -7.469 4.761 1.00 23.34 H new ATOM 229 N PHE A 595 -12.798 -9.733 7.301 1.00 60.35 N ATOM 230 CA PHE A 595 -13.312 -11.053 7.448 1.00 60.45 C ATOM 231 C PHE A 595 -14.200 -11.361 6.293 1.00 12.11 C ATOM 232 O PHE A 595 -15.109 -10.588 5.963 1.00 2.41 O ATOM 233 CB PHE A 595 -14.040 -11.259 8.785 1.00 3.55 C ATOM 234 CG PHE A 595 -14.729 -12.595 8.882 1.00 73.32 C ATOM 235 CD1 PHE A 595 -14.005 -13.761 8.800 1.00 33.11 C ATOM 236 CD2 PHE A 595 -16.102 -12.676 9.038 1.00 2.25 C ATOM 237 CE1 PHE A 595 -14.615 -14.983 8.874 1.00 15.25 C ATOM 238 CE2 PHE A 595 -16.724 -13.906 9.114 1.00 11.44 C ATOM 239 CZ PHE A 595 -15.971 -15.060 9.031 1.00 31.53 C ATOM 0 H PHE A 595 -13.511 -9.014 7.177 1.00 60.35 H new ATOM 0 HA PHE A 595 -12.472 -11.747 7.458 1.00 60.45 H new ATOM 0 HB2 PHE A 595 -13.323 -11.167 9.601 1.00 3.55 H new ATOM 0 HB3 PHE A 595 -14.777 -10.466 8.917 1.00 3.55 H new ATOM 0 HD1 PHE A 595 -12.933 -13.711 8.675 1.00 33.11 H new ATOM 0 HD2 PHE A 595 -16.690 -11.772 9.101 1.00 2.25 H new ATOM 0 HE1 PHE A 595 -14.026 -15.886 8.808 1.00 15.25 H new ATOM 0 HE2 PHE A 595 -17.795 -13.965 9.238 1.00 11.44 H new ATOM 0 HZ PHE A 595 -16.453 -16.024 9.090 1.00 31.53 H new ATOM 249 N ASP A 596 -13.947 -12.459 5.673 1.00 72.32 N ATOM 250 CA ASP A 596 -14.710 -12.841 4.546 1.00 24.12 C ATOM 251 C ASP A 596 -15.597 -14.004 4.921 1.00 11.35 C ATOM 252 O ASP A 596 -15.108 -15.045 5.349 1.00 2.00 O ATOM 253 CB ASP A 596 -13.799 -13.240 3.409 1.00 11.14 C ATOM 254 CG ASP A 596 -14.563 -13.368 2.139 1.00 13.54 C ATOM 255 OD1 ASP A 596 -15.426 -14.199 2.089 1.00 0.13 O ATOM 256 OD2 ASP A 596 -14.351 -12.596 1.212 1.00 14.54 O ATOM 0 H ASP A 596 -13.208 -13.113 5.934 1.00 72.32 H new ATOM 0 HA ASP A 596 -15.322 -11.999 4.223 1.00 24.12 H new ATOM 0 HB2 ASP A 596 -13.011 -12.497 3.291 1.00 11.14 H new ATOM 0 HB3 ASP A 596 -13.312 -14.187 3.643 1.00 11.14 H new ATOM 261 N SER A 597 -16.886 -13.826 4.779 1.00 2.53 N ATOM 262 CA SER A 597 -17.838 -14.860 5.100 1.00 74.44 C ATOM 263 C SER A 597 -17.826 -16.047 4.104 1.00 72.14 C ATOM 264 O SER A 597 -18.228 -17.161 4.461 1.00 62.32 O ATOM 265 CB SER A 597 -19.227 -14.264 5.306 1.00 51.51 C ATOM 266 OG SER A 597 -19.572 -13.390 4.245 1.00 41.40 O ATOM 0 H SER A 597 -17.305 -12.961 4.438 1.00 2.53 H new ATOM 0 HA SER A 597 -17.524 -15.303 6.045 1.00 74.44 H new ATOM 0 HB2 SER A 597 -19.963 -15.065 5.375 1.00 51.51 H new ATOM 0 HB3 SER A 597 -19.257 -13.722 6.251 1.00 51.51 H new ATOM 0 HG SER A 597 -20.467 -13.023 4.401 1.00 41.40 H new ATOM 272 N GLN A 598 -17.340 -15.821 2.873 1.00 62.34 N ATOM 273 CA GLN A 598 -17.287 -16.870 1.886 1.00 23.14 C ATOM 274 C GLN A 598 -16.084 -17.706 2.183 1.00 34.44 C ATOM 275 O GLN A 598 -16.082 -18.922 1.978 1.00 31.01 O ATOM 276 CB GLN A 598 -17.154 -16.318 0.431 1.00 74.10 C ATOM 277 CG GLN A 598 -15.725 -15.977 -0.051 1.00 72.42 C ATOM 278 CD GLN A 598 -15.647 -15.172 -1.326 1.00 21.23 C ATOM 279 OE1 GLN A 598 -15.640 -15.725 -2.432 1.00 71.12 O ATOM 280 NE2 GLN A 598 -15.486 -13.875 -1.189 1.00 71.35 N ATOM 0 H GLN A 598 -16.984 -14.920 2.555 1.00 62.34 H new ATOM 0 HA GLN A 598 -18.216 -17.438 1.938 1.00 23.14 H new ATOM 0 HB2 GLN A 598 -17.578 -17.053 -0.253 1.00 74.10 H new ATOM 0 HB3 GLN A 598 -17.765 -15.419 0.350 1.00 74.10 H new ATOM 0 HG2 GLN A 598 -15.215 -15.425 0.739 1.00 72.42 H new ATOM 0 HG3 GLN A 598 -15.176 -16.908 -0.195 1.00 72.42 H new ATOM 0 HE21 GLN A 598 -15.498 -13.455 -0.260 1.00 71.35 H new ATOM 0 HE22 GLN A 598 -15.349 -13.288 -2.012 1.00 71.35 H new ATOM 288 N ALA A 599 -15.038 -17.048 2.672 1.00 63.14 N ATOM 289 CA ALA A 599 -13.825 -17.742 2.915 1.00 51.30 C ATOM 290 C ALA A 599 -13.817 -18.326 4.303 1.00 24.32 C ATOM 291 O ALA A 599 -13.153 -19.316 4.559 1.00 64.25 O ATOM 292 CB ALA A 599 -12.643 -16.796 2.755 1.00 14.13 C ATOM 0 H ALA A 599 -15.026 -16.053 2.897 1.00 63.14 H new ATOM 0 HA ALA A 599 -13.743 -18.553 2.191 1.00 51.30 H new ATOM 0 HB1 ALA A 599 -11.716 -17.337 2.943 1.00 14.13 H new ATOM 0 HB2 ALA A 599 -12.631 -16.397 1.741 1.00 14.13 H new ATOM 0 HB3 ALA A 599 -12.735 -15.975 3.466 1.00 14.13 H new ATOM 298 N GLY A 600 -14.616 -17.746 5.171 1.00 25.32 N ATOM 299 CA GLY A 600 -14.727 -18.229 6.532 1.00 52.32 C ATOM 300 C GLY A 600 -13.458 -17.997 7.346 1.00 71.21 C ATOM 301 O GLY A 600 -13.243 -18.644 8.376 1.00 44.24 O ATOM 0 H GLY A 600 -15.200 -16.937 4.959 1.00 25.32 H new ATOM 0 HA2 GLY A 600 -15.564 -17.732 7.022 1.00 52.32 H new ATOM 0 HA3 GLY A 600 -14.954 -19.295 6.517 1.00 52.32 H new ATOM 305 N PHE A 601 -12.619 -17.074 6.890 1.00 21.43 N ATOM 306 CA PHE A 601 -11.371 -16.768 7.569 1.00 32.11 C ATOM 307 C PHE A 601 -11.215 -15.271 7.711 1.00 41.04 C ATOM 308 O PHE A 601 -11.641 -14.505 6.826 1.00 60.50 O ATOM 309 CB PHE A 601 -10.146 -17.351 6.827 1.00 41.31 C ATOM 310 CG PHE A 601 -10.157 -18.849 6.675 1.00 12.21 C ATOM 311 CD1 PHE A 601 -10.083 -19.675 7.785 1.00 23.34 C ATOM 312 CD2 PHE A 601 -10.254 -19.429 5.422 1.00 34.12 C ATOM 313 CE1 PHE A 601 -10.105 -21.048 7.647 1.00 12.20 C ATOM 314 CE2 PHE A 601 -10.275 -20.802 5.278 1.00 62.52 C ATOM 315 CZ PHE A 601 -10.202 -21.612 6.392 1.00 5.10 C ATOM 0 H PHE A 601 -12.784 -16.523 6.048 1.00 21.43 H new ATOM 0 HA PHE A 601 -11.413 -17.233 8.554 1.00 32.11 H new ATOM 0 HB2 PHE A 601 -10.089 -16.899 5.837 1.00 41.31 H new ATOM 0 HB3 PHE A 601 -9.242 -17.060 7.362 1.00 41.31 H new ATOM 0 HD1 PHE A 601 -10.007 -19.239 8.770 1.00 23.34 H new ATOM 0 HD2 PHE A 601 -10.314 -18.800 4.546 1.00 34.12 H new ATOM 0 HE1 PHE A 601 -10.046 -21.680 8.521 1.00 12.20 H new ATOM 0 HE2 PHE A 601 -10.349 -21.241 4.294 1.00 62.52 H new ATOM 0 HZ PHE A 601 -10.221 -22.686 6.282 1.00 5.10 H new ATOM 325 N SER A 602 -10.642 -14.856 8.805 1.00 14.01 N ATOM 326 CA SER A 602 -10.426 -13.469 9.086 1.00 21.43 C ATOM 327 C SER A 602 -8.942 -13.143 8.985 1.00 44.33 C ATOM 328 O SER A 602 -8.081 -13.976 9.323 1.00 71.43 O ATOM 329 CB SER A 602 -10.982 -13.135 10.476 1.00 73.04 C ATOM 330 OG SER A 602 -10.401 -13.969 11.470 1.00 65.13 O ATOM 0 H SER A 602 -10.307 -15.483 9.537 1.00 14.01 H new ATOM 0 HA SER A 602 -10.951 -12.857 8.353 1.00 21.43 H new ATOM 0 HB2 SER A 602 -10.781 -12.090 10.710 1.00 73.04 H new ATOM 0 HB3 SER A 602 -12.065 -13.260 10.478 1.00 73.04 H new ATOM 0 HG SER A 602 -10.769 -13.737 12.348 1.00 65.13 H new ATOM 336 N PHE A 603 -8.640 -11.971 8.496 1.00 63.35 N ATOM 337 CA PHE A 603 -7.280 -11.541 8.330 1.00 4.14 C ATOM 338 C PHE A 603 -7.126 -10.121 8.851 1.00 5.44 C ATOM 339 O PHE A 603 -7.826 -9.199 8.402 1.00 13.31 O ATOM 340 CB PHE A 603 -6.863 -11.631 6.846 1.00 1.21 C ATOM 341 CG PHE A 603 -6.878 -13.041 6.278 1.00 60.23 C ATOM 342 CD1 PHE A 603 -5.768 -13.856 6.409 1.00 31.14 C ATOM 343 CD2 PHE A 603 -8.004 -13.549 5.621 1.00 54.05 C ATOM 344 CE1 PHE A 603 -5.767 -15.139 5.902 1.00 42.32 C ATOM 345 CE2 PHE A 603 -8.000 -14.833 5.115 1.00 14.43 C ATOM 346 CZ PHE A 603 -6.883 -15.628 5.255 1.00 60.02 C ATOM 0 H PHE A 603 -9.334 -11.285 8.200 1.00 63.35 H new ATOM 0 HA PHE A 603 -6.624 -12.197 8.903 1.00 4.14 H new ATOM 0 HB2 PHE A 603 -7.532 -11.006 6.254 1.00 1.21 H new ATOM 0 HB3 PHE A 603 -5.860 -11.218 6.736 1.00 1.21 H new ATOM 0 HD1 PHE A 603 -4.890 -13.483 6.915 1.00 31.14 H new ATOM 0 HD2 PHE A 603 -8.883 -12.932 5.509 1.00 54.05 H new ATOM 0 HE1 PHE A 603 -4.891 -15.761 6.012 1.00 42.32 H new ATOM 0 HE2 PHE A 603 -8.874 -15.215 4.608 1.00 14.43 H new ATOM 0 HZ PHE A 603 -6.881 -16.633 4.859 1.00 60.02 H new ATOM 356 N ASP A 604 -6.245 -9.942 9.805 1.00 25.41 N ATOM 357 CA ASP A 604 -6.009 -8.629 10.366 1.00 63.03 C ATOM 358 C ASP A 604 -4.824 -7.983 9.702 1.00 11.31 C ATOM 359 O ASP A 604 -3.720 -8.525 9.698 1.00 74.44 O ATOM 360 CB ASP A 604 -5.854 -8.646 11.916 1.00 51.21 C ATOM 361 CG ASP A 604 -4.679 -9.450 12.444 1.00 74.34 C ATOM 362 OD1 ASP A 604 -4.790 -10.695 12.537 1.00 50.42 O ATOM 363 OD2 ASP A 604 -3.655 -8.851 12.821 1.00 62.53 O ATOM 0 H ASP A 604 -5.679 -10.687 10.211 1.00 25.41 H new ATOM 0 HA ASP A 604 -6.897 -8.030 10.163 1.00 63.03 H new ATOM 0 HB2 ASP A 604 -5.756 -7.618 12.266 1.00 51.21 H new ATOM 0 HB3 ASP A 604 -6.770 -9.045 12.352 1.00 51.21 H new ATOM 368 N LEU A 605 -5.058 -6.845 9.093 1.00 23.43 N ATOM 369 CA LEU A 605 -4.000 -6.130 8.422 1.00 64.12 C ATOM 370 C LEU A 605 -3.590 -4.922 9.246 1.00 44.51 C ATOM 371 O LEU A 605 -2.916 -4.019 8.778 1.00 42.31 O ATOM 372 CB LEU A 605 -4.400 -5.750 6.993 1.00 74.22 C ATOM 373 CG LEU A 605 -4.799 -6.928 6.078 1.00 12.03 C ATOM 374 CD1 LEU A 605 -5.002 -6.471 4.664 1.00 11.50 C ATOM 375 CD2 LEU A 605 -3.772 -8.036 6.118 1.00 55.33 C ATOM 0 H LEU A 605 -5.972 -6.395 9.049 1.00 23.43 H new ATOM 0 HA LEU A 605 -3.133 -6.785 8.332 1.00 64.12 H new ATOM 0 HB2 LEU A 605 -5.236 -5.052 7.042 1.00 74.22 H new ATOM 0 HB3 LEU A 605 -3.568 -5.219 6.530 1.00 74.22 H new ATOM 0 HG LEU A 605 -5.742 -7.321 6.458 1.00 12.03 H new ATOM 0 HD11 LEU A 605 -5.282 -7.322 4.043 1.00 11.50 H new ATOM 0 HD12 LEU A 605 -5.794 -5.723 4.634 1.00 11.50 H new ATOM 0 HD13 LEU A 605 -4.077 -6.035 4.286 1.00 11.50 H new ATOM 0 HD21 LEU A 605 -4.087 -8.848 5.462 1.00 55.33 H new ATOM 0 HD22 LEU A 605 -2.809 -7.651 5.783 1.00 55.33 H new ATOM 0 HD23 LEU A 605 -3.679 -8.409 7.138 1.00 55.33 H new ATOM 383 N THR A 606 -3.971 -4.966 10.492 1.00 0.42 N ATOM 384 CA THR A 606 -3.649 -3.964 11.473 1.00 53.31 C ATOM 385 C THR A 606 -2.124 -3.840 11.770 1.00 55.42 C ATOM 386 O THR A 606 -1.639 -2.728 11.931 1.00 34.52 O ATOM 387 CB THR A 606 -4.465 -4.178 12.757 1.00 63.13 C ATOM 388 OG1 THR A 606 -4.563 -5.582 13.017 1.00 40.12 O ATOM 389 CG2 THR A 606 -5.850 -3.578 12.641 1.00 64.31 C ATOM 0 H THR A 606 -4.535 -5.728 10.867 1.00 0.42 H new ATOM 0 HA THR A 606 -3.932 -3.006 11.037 1.00 53.31 H new ATOM 0 HB THR A 606 -3.956 -3.676 13.580 1.00 63.13 H new ATOM 0 HG1 THR A 606 -5.081 -5.728 13.836 1.00 40.12 H new ATOM 0 HG21 THR A 606 -6.399 -3.748 13.567 1.00 64.31 H new ATOM 0 HG22 THR A 606 -5.768 -2.506 12.459 1.00 64.31 H new ATOM 0 HG23 THR A 606 -6.381 -4.047 11.813 1.00 64.31 H new ATOM 395 N PRO A 607 -1.315 -4.973 11.842 1.00 61.05 N ATOM 396 CA PRO A 607 0.148 -4.876 12.036 1.00 53.54 C ATOM 397 C PRO A 607 0.806 -4.152 10.864 1.00 30.21 C ATOM 398 O PRO A 607 1.918 -3.636 10.970 1.00 12.25 O ATOM 399 CB PRO A 607 0.618 -6.339 12.068 1.00 25.33 C ATOM 400 CG PRO A 607 -0.595 -7.121 12.413 1.00 5.11 C ATOM 401 CD PRO A 607 -1.742 -6.395 11.784 1.00 20.23 C ATOM 0 HA PRO A 607 0.407 -4.319 12.936 1.00 53.54 H new ATOM 0 HB2 PRO A 607 1.024 -6.645 11.104 1.00 25.33 H new ATOM 0 HB3 PRO A 607 1.406 -6.485 12.807 1.00 25.33 H new ATOM 0 HG2 PRO A 607 -0.523 -8.141 12.035 1.00 5.11 H new ATOM 0 HG3 PRO A 607 -0.721 -7.190 13.493 1.00 5.11 H new ATOM 0 HD2 PRO A 607 -1.913 -6.723 10.759 1.00 20.23 H new ATOM 0 HD3 PRO A 607 -2.671 -6.559 12.330 1.00 20.23 H new ATOM 409 N LEU A 608 0.099 -4.121 9.757 1.00 1.35 N ATOM 410 CA LEU A 608 0.565 -3.501 8.539 1.00 71.10 C ATOM 411 C LEU A 608 0.402 -1.983 8.588 1.00 30.00 C ATOM 412 O LEU A 608 0.971 -1.276 7.779 1.00 72.33 O ATOM 413 CB LEU A 608 -0.158 -4.076 7.300 1.00 32.25 C ATOM 414 CG LEU A 608 0.143 -5.534 6.877 1.00 11.43 C ATOM 415 CD1 LEU A 608 -0.260 -6.532 7.940 1.00 44.31 C ATOM 416 CD2 LEU A 608 -0.553 -5.848 5.567 1.00 14.41 C ATOM 0 H LEU A 608 -0.831 -4.533 9.677 1.00 1.35 H new ATOM 0 HA LEU A 608 1.627 -3.729 8.452 1.00 71.10 H new ATOM 0 HB2 LEU A 608 -1.231 -3.997 7.477 1.00 32.25 H new ATOM 0 HB3 LEU A 608 0.074 -3.431 6.453 1.00 32.25 H new ATOM 0 HG LEU A 608 1.221 -5.622 6.746 1.00 11.43 H new ATOM 0 HD11 LEU A 608 -0.030 -7.541 7.598 1.00 44.31 H new ATOM 0 HD12 LEU A 608 0.289 -6.326 8.859 1.00 44.31 H new ATOM 0 HD13 LEU A 608 -1.330 -6.449 8.130 1.00 44.31 H new ATOM 0 HD21 LEU A 608 -0.336 -6.876 5.277 1.00 14.41 H new ATOM 0 HD22 LEU A 608 -1.629 -5.725 5.688 1.00 14.41 H new ATOM 0 HD23 LEU A 608 -0.195 -5.169 4.793 1.00 14.41 H new ATOM 424 N THR A 609 -0.385 -1.501 9.516 1.00 65.22 N ATOM 425 CA THR A 609 -0.563 -0.078 9.689 1.00 3.22 C ATOM 426 C THR A 609 0.667 0.504 10.392 1.00 13.41 C ATOM 427 O THR A 609 1.047 0.060 11.490 1.00 23.33 O ATOM 428 CB THR A 609 -1.844 0.214 10.504 1.00 33.45 C ATOM 429 OG1 THR A 609 -2.957 -0.467 9.894 1.00 62.53 O ATOM 430 CG2 THR A 609 -2.142 1.704 10.529 1.00 65.11 C ATOM 0 H THR A 609 -0.917 -2.076 10.169 1.00 65.22 H new ATOM 0 HA THR A 609 -0.673 0.392 8.712 1.00 3.22 H new ATOM 0 HB THR A 609 -1.691 -0.135 11.525 1.00 33.45 H new ATOM 0 HG1 THR A 609 -3.225 0.009 9.080 1.00 62.53 H new ATOM 0 HG21 THR A 609 -3.048 1.884 11.108 1.00 65.11 H new ATOM 0 HG22 THR A 609 -1.307 2.234 10.987 1.00 65.11 H new ATOM 0 HG23 THR A 609 -2.285 2.064 9.510 1.00 65.11 H new ATOM 436 N LYS A 610 1.292 1.467 9.756 1.00 72.31 N ATOM 437 CA LYS A 610 2.479 2.087 10.284 1.00 1.51 C ATOM 438 C LYS A 610 2.307 3.588 10.415 1.00 40.23 C ATOM 439 O LYS A 610 1.658 4.220 9.589 1.00 0.00 O ATOM 440 CB LYS A 610 3.707 1.773 9.422 1.00 53.11 C ATOM 441 CG LYS A 610 4.187 0.328 9.464 1.00 34.41 C ATOM 442 CD LYS A 610 5.463 0.152 8.640 1.00 73.01 C ATOM 443 CE LYS A 610 6.019 -1.272 8.728 1.00 71.13 C ATOM 444 NZ LYS A 610 6.463 -1.623 10.094 1.00 43.30 N ATOM 0 H LYS A 610 0.989 1.841 8.857 1.00 72.31 H new ATOM 0 HA LYS A 610 2.640 1.669 11.278 1.00 1.51 H new ATOM 0 HB2 LYS A 610 3.479 2.032 8.388 1.00 53.11 H new ATOM 0 HB3 LYS A 610 4.526 2.419 9.739 1.00 53.11 H new ATOM 0 HG2 LYS A 610 4.373 0.032 10.497 1.00 34.41 H new ATOM 0 HG3 LYS A 610 3.407 -0.330 9.079 1.00 34.41 H new ATOM 0 HD2 LYS A 610 5.256 0.395 7.598 1.00 73.01 H new ATOM 0 HD3 LYS A 610 6.218 0.857 8.988 1.00 73.01 H new ATOM 0 HE2 LYS A 610 5.254 -1.978 8.406 1.00 71.13 H new ATOM 0 HE3 LYS A 610 6.858 -1.374 8.039 1.00 71.13 H new ATOM 0 HZ1 LYS A 610 6.968 -2.532 10.072 1.00 43.30 H new ATOM 0 HZ2 LYS A 610 7.099 -0.883 10.453 1.00 43.30 H new ATOM 0 HZ3 LYS A 610 5.635 -1.702 10.719 1.00 43.30 H new ATOM 458 N LYS A 611 2.896 4.149 11.452 1.00 53.34 N ATOM 459 CA LYS A 611 2.850 5.592 11.721 1.00 23.33 C ATOM 460 C LYS A 611 3.703 6.308 10.686 1.00 23.52 C ATOM 461 O LYS A 611 3.393 7.409 10.221 1.00 51.14 O ATOM 462 CB LYS A 611 3.444 5.854 13.102 1.00 0.01 C ATOM 463 CG LYS A 611 3.278 7.281 13.670 1.00 4.04 C ATOM 464 CD LYS A 611 1.862 7.606 14.231 1.00 64.13 C ATOM 465 CE LYS A 611 0.726 7.557 13.208 1.00 52.23 C ATOM 466 NZ LYS A 611 -0.558 8.002 13.806 1.00 64.05 N ATOM 0 H LYS A 611 3.427 3.621 12.144 1.00 53.34 H new ATOM 0 HA LYS A 611 1.821 5.948 11.678 1.00 23.33 H new ATOM 0 HB2 LYS A 611 2.993 5.154 13.805 1.00 0.01 H new ATOM 0 HB3 LYS A 611 4.509 5.625 13.063 1.00 0.01 H new ATOM 0 HG2 LYS A 611 4.009 7.427 14.465 1.00 4.04 H new ATOM 0 HG3 LYS A 611 3.514 7.998 12.884 1.00 4.04 H new ATOM 0 HD2 LYS A 611 1.637 6.903 15.033 1.00 64.13 H new ATOM 0 HD3 LYS A 611 1.885 8.601 14.676 1.00 64.13 H new ATOM 0 HE2 LYS A 611 0.973 8.192 12.357 1.00 52.23 H new ATOM 0 HE3 LYS A 611 0.620 6.541 12.828 1.00 52.23 H new ATOM 0 HZ1 LYS A 611 -1.309 7.958 13.088 1.00 64.05 H new ATOM 0 HZ2 LYS A 611 -0.804 7.381 14.603 1.00 64.05 H new ATOM 0 HZ3 LYS A 611 -0.462 8.980 14.147 1.00 64.05 H new ATOM 480 N ASP A 612 4.787 5.662 10.374 1.00 35.11 N ATOM 481 CA ASP A 612 5.765 6.121 9.400 1.00 13.53 C ATOM 482 C ASP A 612 5.273 5.840 7.993 1.00 1.24 C ATOM 483 O ASP A 612 5.703 6.489 7.013 1.00 4.33 O ATOM 484 CB ASP A 612 7.088 5.391 9.629 1.00 11.04 C ATOM 485 CG ASP A 612 7.757 5.727 10.943 1.00 11.24 C ATOM 486 OD1 ASP A 612 7.426 5.110 11.988 1.00 24.21 O ATOM 487 OD2 ASP A 612 8.639 6.597 10.955 1.00 62.42 O ATOM 0 H ASP A 612 5.034 4.768 10.799 1.00 35.11 H new ATOM 0 HA ASP A 612 5.909 7.195 9.519 1.00 13.53 H new ATOM 0 HB2 ASP A 612 6.910 4.316 9.588 1.00 11.04 H new ATOM 0 HB3 ASP A 612 7.770 5.632 8.814 1.00 11.04 H new ATOM 492 N ALA A 613 4.361 4.864 7.905 1.00 35.51 N ATOM 493 CA ALA A 613 3.759 4.411 6.662 1.00 34.32 C ATOM 494 C ALA A 613 4.791 3.760 5.725 1.00 15.42 C ATOM 495 O ALA A 613 5.966 3.627 6.067 1.00 60.20 O ATOM 496 CB ALA A 613 3.027 5.549 5.991 1.00 4.35 C ATOM 0 H ALA A 613 4.018 4.359 8.722 1.00 35.51 H new ATOM 0 HA ALA A 613 3.033 3.634 6.902 1.00 34.32 H new ATOM 0 HB1 ALA A 613 2.581 5.197 5.061 1.00 4.35 H new ATOM 0 HB2 ALA A 613 2.243 5.918 6.653 1.00 4.35 H new ATOM 0 HB3 ALA A 613 3.728 6.355 5.774 1.00 4.35 H new ATOM 502 N TYR A 614 4.343 3.336 4.573 1.00 44.24 N ATOM 503 CA TYR A 614 5.193 2.680 3.596 1.00 52.24 C ATOM 504 C TYR A 614 5.445 3.605 2.434 1.00 40.44 C ATOM 505 O TYR A 614 4.550 4.350 2.028 1.00 45.22 O ATOM 506 CB TYR A 614 4.516 1.411 3.075 1.00 43.30 C ATOM 507 CG TYR A 614 4.330 0.315 4.101 1.00 4.24 C ATOM 508 CD1 TYR A 614 3.401 0.432 5.127 1.00 63.13 C ATOM 509 CD2 TYR A 614 5.074 -0.857 4.029 1.00 35.52 C ATOM 510 CE1 TYR A 614 3.228 -0.569 6.032 1.00 54.43 C ATOM 511 CE2 TYR A 614 4.901 -1.867 4.940 1.00 42.50 C ATOM 512 CZ TYR A 614 3.972 -1.717 5.941 1.00 12.24 C ATOM 513 OH TYR A 614 3.786 -2.716 6.858 1.00 43.33 O ATOM 0 H TYR A 614 3.372 3.434 4.277 1.00 44.24 H new ATOM 0 HA TYR A 614 6.136 2.421 4.077 1.00 52.24 H new ATOM 0 HB2 TYR A 614 3.540 1.679 2.671 1.00 43.30 H new ATOM 0 HB3 TYR A 614 5.106 1.017 2.248 1.00 43.30 H new ATOM 0 HD1 TYR A 614 2.807 1.331 5.207 1.00 63.13 H new ATOM 0 HD2 TYR A 614 5.802 -0.974 3.240 1.00 35.52 H new ATOM 0 HE1 TYR A 614 2.502 -0.459 6.824 1.00 54.43 H new ATOM 0 HE2 TYR A 614 5.489 -2.771 4.871 1.00 42.50 H new ATOM 0 HH TYR A 614 4.388 -3.462 6.655 1.00 43.33 H new ATOM 523 N LYS A 615 6.633 3.581 1.905 1.00 40.04 N ATOM 524 CA LYS A 615 6.944 4.397 0.766 1.00 23.12 C ATOM 525 C LYS A 615 7.418 3.541 -0.396 1.00 3.41 C ATOM 526 O LYS A 615 8.177 2.579 -0.214 1.00 12.24 O ATOM 527 CB LYS A 615 8.011 5.455 1.093 1.00 2.13 C ATOM 528 CG LYS A 615 8.330 6.365 -0.091 1.00 71.44 C ATOM 529 CD LYS A 615 9.562 7.229 0.138 1.00 51.23 C ATOM 530 CE LYS A 615 9.445 8.111 1.348 1.00 31.25 C ATOM 531 NZ LYS A 615 10.544 9.086 1.417 1.00 22.33 N ATOM 0 H LYS A 615 7.404 3.005 2.244 1.00 40.04 H new ATOM 0 HA LYS A 615 6.026 4.913 0.485 1.00 23.12 H new ATOM 0 HB2 LYS A 615 7.667 6.063 1.930 1.00 2.13 H new ATOM 0 HB3 LYS A 615 8.924 4.955 1.416 1.00 2.13 H new ATOM 0 HG2 LYS A 615 8.482 5.754 -0.981 1.00 71.44 H new ATOM 0 HG3 LYS A 615 7.473 7.009 -0.288 1.00 71.44 H new ATOM 0 HD2 LYS A 615 10.435 6.585 0.248 1.00 51.23 H new ATOM 0 HD3 LYS A 615 9.732 7.850 -0.742 1.00 51.23 H new ATOM 0 HE2 LYS A 615 8.491 8.638 1.323 1.00 31.25 H new ATOM 0 HE3 LYS A 615 9.446 7.496 2.248 1.00 31.25 H new ATOM 0 HZ1 LYS A 615 10.592 9.487 2.375 1.00 22.33 H new ATOM 0 HZ2 LYS A 615 11.443 8.612 1.194 1.00 22.33 H new ATOM 0 HZ3 LYS A 615 10.375 9.849 0.730 1.00 22.33 H new ATOM 545 N VAL A 616 6.945 3.876 -1.559 1.00 24.11 N ATOM 546 CA VAL A 616 7.367 3.274 -2.792 1.00 52.21 C ATOM 547 C VAL A 616 8.062 4.374 -3.575 1.00 0.45 C ATOM 548 O VAL A 616 7.587 5.504 -3.596 1.00 61.14 O ATOM 549 CB VAL A 616 6.158 2.756 -3.613 1.00 3.12 C ATOM 550 CG1 VAL A 616 6.618 2.022 -4.857 1.00 1.31 C ATOM 551 CG2 VAL A 616 5.243 1.881 -2.769 1.00 55.23 C ATOM 0 H VAL A 616 6.234 4.597 -1.682 1.00 24.11 H new ATOM 0 HA VAL A 616 8.016 2.421 -2.596 1.00 52.21 H new ATOM 0 HB VAL A 616 5.581 3.625 -3.929 1.00 3.12 H new ATOM 0 HG11 VAL A 616 5.750 1.670 -5.414 1.00 1.31 H new ATOM 0 HG12 VAL A 616 7.201 2.697 -5.483 1.00 1.31 H new ATOM 0 HG13 VAL A 616 7.235 1.170 -4.570 1.00 1.31 H new ATOM 0 HG21 VAL A 616 4.407 1.536 -3.377 1.00 55.23 H new ATOM 0 HG22 VAL A 616 5.802 1.021 -2.399 1.00 55.23 H new ATOM 0 HG23 VAL A 616 4.864 2.458 -1.925 1.00 55.23 H new ATOM 557 N GLU A 617 9.152 4.073 -4.184 1.00 33.23 N ATOM 558 CA GLU A 617 9.933 5.071 -4.879 1.00 31.53 C ATOM 559 C GLU A 617 9.995 4.766 -6.365 1.00 72.23 C ATOM 560 O GLU A 617 10.109 3.608 -6.759 1.00 54.54 O ATOM 561 CB GLU A 617 11.346 5.124 -4.284 1.00 61.05 C ATOM 562 CG GLU A 617 11.381 5.501 -2.804 1.00 3.32 C ATOM 563 CD GLU A 617 12.772 5.454 -2.215 1.00 22.21 C ATOM 564 OE1 GLU A 617 13.520 6.436 -2.332 1.00 65.15 O ATOM 565 OE2 GLU A 617 13.142 4.426 -1.627 1.00 31.31 O ATOM 0 H GLU A 617 9.541 3.131 -4.223 1.00 33.23 H new ATOM 0 HA GLU A 617 9.455 6.043 -4.754 1.00 31.53 H new ATOM 0 HB2 GLU A 617 11.820 4.151 -4.412 1.00 61.05 H new ATOM 0 HB3 GLU A 617 11.940 5.845 -4.847 1.00 61.05 H new ATOM 0 HG2 GLU A 617 10.974 6.505 -2.681 1.00 3.32 H new ATOM 0 HG3 GLU A 617 10.734 4.824 -2.247 1.00 3.32 H new ATOM 572 N THR A 618 9.909 5.796 -7.185 1.00 64.32 N ATOM 573 CA THR A 618 10.009 5.649 -8.614 1.00 21.10 C ATOM 574 C THR A 618 11.083 6.629 -9.081 1.00 3.12 C ATOM 575 O THR A 618 11.792 7.206 -8.230 1.00 31.42 O ATOM 576 CB THR A 618 8.643 5.936 -9.330 1.00 23.53 C ATOM 577 OG1 THR A 618 8.223 7.266 -9.063 1.00 14.22 O ATOM 578 CG2 THR A 618 7.549 4.967 -8.865 1.00 22.21 C ATOM 0 H THR A 618 9.768 6.757 -6.873 1.00 64.32 H new ATOM 0 HA THR A 618 10.271 4.622 -8.869 1.00 21.10 H new ATOM 0 HB THR A 618 8.799 5.798 -10.400 1.00 23.53 H new ATOM 0 HG1 THR A 618 8.786 7.652 -8.360 1.00 14.22 H new ATOM 0 HG21 THR A 618 6.617 5.195 -9.382 1.00 22.21 H new ATOM 0 HG22 THR A 618 7.849 3.944 -9.092 1.00 22.21 H new ATOM 0 HG23 THR A 618 7.403 5.072 -7.790 1.00 22.21 H new ATOM 584 N ASP A 619 11.211 6.835 -10.376 1.00 42.35 N ATOM 585 CA ASP A 619 12.238 7.743 -10.913 1.00 64.21 C ATOM 586 C ASP A 619 12.108 9.151 -10.388 1.00 23.44 C ATOM 587 O ASP A 619 13.060 9.713 -9.851 1.00 20.40 O ATOM 588 CB ASP A 619 12.264 7.745 -12.445 1.00 30.32 C ATOM 589 CG ASP A 619 12.898 6.509 -13.023 1.00 44.14 C ATOM 590 OD1 ASP A 619 12.258 5.441 -13.035 1.00 52.24 O ATOM 591 OD2 ASP A 619 14.062 6.591 -13.484 1.00 61.42 O ATOM 0 H ASP A 619 10.625 6.394 -11.085 1.00 42.35 H new ATOM 0 HA ASP A 619 13.190 7.348 -10.557 1.00 64.21 H new ATOM 0 HB2 ASP A 619 11.244 7.833 -12.820 1.00 30.32 H new ATOM 0 HB3 ASP A 619 12.809 8.623 -12.793 1.00 30.32 H new ATOM 596 N LYS A 620 10.945 9.720 -10.512 1.00 13.21 N ATOM 597 CA LYS A 620 10.756 11.084 -10.075 1.00 10.34 C ATOM 598 C LYS A 620 9.613 11.274 -9.111 1.00 31.42 C ATOM 599 O LYS A 620 9.310 12.401 -8.712 1.00 34.54 O ATOM 600 CB LYS A 620 10.687 12.051 -11.254 1.00 43.23 C ATOM 601 CG LYS A 620 9.802 11.580 -12.386 1.00 73.11 C ATOM 602 CD LYS A 620 9.726 12.587 -13.509 1.00 51.03 C ATOM 603 CE LYS A 620 8.837 12.067 -14.622 1.00 24.10 C ATOM 604 NZ LYS A 620 8.728 13.016 -15.741 1.00 11.30 N ATOM 0 H LYS A 620 10.118 9.272 -10.907 1.00 13.21 H new ATOM 0 HA LYS A 620 11.648 11.329 -9.498 1.00 10.34 H new ATOM 0 HB2 LYS A 620 10.323 13.015 -10.899 1.00 43.23 H new ATOM 0 HB3 LYS A 620 11.694 12.213 -11.637 1.00 43.23 H new ATOM 0 HG2 LYS A 620 10.183 10.635 -12.773 1.00 73.11 H new ATOM 0 HG3 LYS A 620 8.799 11.387 -12.005 1.00 73.11 H new ATOM 0 HD2 LYS A 620 9.335 13.532 -13.133 1.00 51.03 H new ATOM 0 HD3 LYS A 620 10.725 12.787 -13.896 1.00 51.03 H new ATOM 0 HE2 LYS A 620 9.234 11.121 -14.989 1.00 24.10 H new ATOM 0 HE3 LYS A 620 7.843 11.863 -14.224 1.00 24.10 H new ATOM 0 HZ1 LYS A 620 8.111 12.616 -16.476 1.00 11.30 H new ATOM 0 HZ2 LYS A 620 8.324 13.911 -15.399 1.00 11.30 H new ATOM 0 HZ3 LYS A 620 9.672 13.192 -16.140 1.00 11.30 H new ATOM 618 N TYR A 621 9.002 10.207 -8.706 1.00 41.35 N ATOM 619 CA TYR A 621 7.913 10.280 -7.751 1.00 44.21 C ATOM 620 C TYR A 621 8.124 9.272 -6.665 1.00 24.53 C ATOM 621 O TYR A 621 8.938 8.355 -6.802 1.00 44.21 O ATOM 622 CB TYR A 621 6.533 10.060 -8.432 1.00 24.34 C ATOM 623 CG TYR A 621 6.146 11.145 -9.414 1.00 2.05 C ATOM 624 CD1 TYR A 621 6.844 11.304 -10.581 1.00 23.10 C ATOM 625 CD2 TYR A 621 5.097 12.012 -9.162 1.00 32.44 C ATOM 626 CE1 TYR A 621 6.537 12.282 -11.482 1.00 31.14 C ATOM 627 CE2 TYR A 621 4.771 13.005 -10.069 1.00 71.44 C ATOM 628 CZ TYR A 621 5.501 13.131 -11.229 1.00 33.52 C ATOM 629 OH TYR A 621 5.193 14.115 -12.136 1.00 0.44 O ATOM 0 H TYR A 621 9.231 9.263 -9.017 1.00 41.35 H new ATOM 0 HA TYR A 621 7.908 11.282 -7.322 1.00 44.21 H new ATOM 0 HB2 TYR A 621 6.546 9.102 -8.952 1.00 24.34 H new ATOM 0 HB3 TYR A 621 5.766 9.993 -7.660 1.00 24.34 H new ATOM 0 HD1 TYR A 621 7.664 10.634 -10.795 1.00 23.10 H new ATOM 0 HD2 TYR A 621 4.528 11.913 -8.250 1.00 32.44 H new ATOM 0 HE1 TYR A 621 7.112 12.383 -12.391 1.00 31.14 H new ATOM 0 HE2 TYR A 621 3.949 13.677 -9.868 1.00 71.44 H new ATOM 0 HH TYR A 621 4.429 14.634 -11.809 1.00 0.44 H new ATOM 639 N GLU A 622 7.457 9.451 -5.604 1.00 42.33 N ATOM 640 CA GLU A 622 7.460 8.520 -4.542 1.00 12.23 C ATOM 641 C GLU A 622 6.061 8.480 -4.003 1.00 51.21 C ATOM 642 O GLU A 622 5.363 9.509 -3.969 1.00 41.55 O ATOM 643 CB GLU A 622 8.484 8.898 -3.466 1.00 54.45 C ATOM 644 CG GLU A 622 8.212 10.219 -2.824 1.00 65.34 C ATOM 645 CD GLU A 622 9.295 10.651 -1.868 1.00 4.02 C ATOM 646 OE1 GLU A 622 10.282 11.256 -2.303 1.00 53.42 O ATOM 647 OE2 GLU A 622 9.156 10.393 -0.655 1.00 14.12 O ATOM 0 H GLU A 622 6.874 10.271 -5.436 1.00 42.33 H new ATOM 0 HA GLU A 622 7.760 7.532 -4.890 1.00 12.23 H new ATOM 0 HB2 GLU A 622 8.495 8.125 -2.698 1.00 54.45 H new ATOM 0 HB3 GLU A 622 9.478 8.918 -3.912 1.00 54.45 H new ATOM 0 HG2 GLU A 622 8.099 10.976 -3.600 1.00 65.34 H new ATOM 0 HG3 GLU A 622 7.264 10.167 -2.289 1.00 65.34 H new ATOM 654 N PHE A 623 5.631 7.337 -3.649 1.00 11.34 N ATOM 655 CA PHE A 623 4.297 7.160 -3.194 1.00 61.44 C ATOM 656 C PHE A 623 4.341 6.734 -1.759 1.00 3.23 C ATOM 657 O PHE A 623 5.027 5.774 -1.417 1.00 54.23 O ATOM 658 CB PHE A 623 3.568 6.086 -4.031 1.00 70.24 C ATOM 659 CG PHE A 623 3.451 6.380 -5.513 1.00 41.00 C ATOM 660 CD1 PHE A 623 4.551 6.259 -6.352 1.00 52.21 C ATOM 661 CD2 PHE A 623 2.245 6.776 -6.061 1.00 60.24 C ATOM 662 CE1 PHE A 623 4.444 6.528 -7.699 1.00 21.42 C ATOM 663 CE2 PHE A 623 2.134 7.044 -7.412 1.00 65.31 C ATOM 664 CZ PHE A 623 3.236 6.920 -8.231 1.00 23.42 C ATOM 0 H PHE A 623 6.191 6.485 -3.663 1.00 11.34 H new ATOM 0 HA PHE A 623 3.752 8.098 -3.299 1.00 61.44 H new ATOM 0 HB2 PHE A 623 4.091 5.138 -3.907 1.00 70.24 H new ATOM 0 HB3 PHE A 623 2.565 5.953 -3.625 1.00 70.24 H new ATOM 0 HD1 PHE A 623 5.502 5.950 -5.944 1.00 52.21 H new ATOM 0 HD2 PHE A 623 1.378 6.877 -5.425 1.00 60.24 H new ATOM 0 HE1 PHE A 623 5.309 6.431 -8.339 1.00 21.42 H new ATOM 0 HE2 PHE A 623 1.185 7.350 -7.826 1.00 65.31 H new ATOM 0 HZ PHE A 623 3.152 7.130 -9.287 1.00 23.42 H new ATOM 674 N HIS A 624 3.656 7.425 -0.919 1.00 61.24 N ATOM 675 CA HIS A 624 3.639 7.052 0.453 1.00 31.55 C ATOM 676 C HIS A 624 2.234 6.629 0.800 1.00 4.53 C ATOM 677 O HIS A 624 1.283 7.389 0.606 1.00 71.34 O ATOM 678 CB HIS A 624 4.075 8.217 1.325 1.00 60.52 C ATOM 679 CG HIS A 624 4.949 7.789 2.455 1.00 40.24 C ATOM 680 ND1 HIS A 624 6.274 8.103 2.516 1.00 33.21 N ATOM 681 CD2 HIS A 624 4.698 7.043 3.539 1.00 63.14 C ATOM 682 CE1 HIS A 624 6.813 7.556 3.582 1.00 3.42 C ATOM 683 NE2 HIS A 624 5.877 6.909 4.231 1.00 34.24 N ATOM 0 H HIS A 624 3.102 8.248 -1.154 1.00 61.24 H new ATOM 0 HA HIS A 624 4.333 6.231 0.629 1.00 31.55 H new ATOM 0 HB2 HIS A 624 4.608 8.945 0.713 1.00 60.52 H new ATOM 0 HB3 HIS A 624 3.193 8.719 1.722 1.00 60.52 H new ATOM 0 HD2 HIS A 624 3.743 6.623 3.818 1.00 63.14 H new ATOM 0 HE1 HIS A 624 7.850 7.628 3.873 1.00 3.42 H new ATOM 0 HE2 HIS A 624 6.002 6.393 5.102 1.00 34.24 H new ATOM 692 N ILE A 625 2.090 5.440 1.314 1.00 3.40 N ATOM 693 CA ILE A 625 0.782 4.903 1.603 1.00 13.23 C ATOM 694 C ILE A 625 0.818 4.197 2.933 1.00 44.11 C ATOM 695 O ILE A 625 1.884 3.781 3.398 1.00 12.35 O ATOM 696 CB ILE A 625 0.295 3.881 0.512 1.00 30.03 C ATOM 697 CG1 ILE A 625 1.170 2.634 0.529 1.00 4.31 C ATOM 698 CG2 ILE A 625 0.287 4.511 -0.884 1.00 1.32 C ATOM 699 CD1 ILE A 625 0.827 1.600 -0.531 1.00 43.32 C ATOM 0 H ILE A 625 2.865 4.818 1.544 1.00 3.40 H new ATOM 0 HA ILE A 625 0.085 5.741 1.616 1.00 13.23 H new ATOM 0 HB ILE A 625 -0.730 3.598 0.753 1.00 30.03 H new ATOM 0 HG12 ILE A 625 2.210 2.935 0.400 1.00 4.31 H new ATOM 0 HG13 ILE A 625 1.093 2.167 1.511 1.00 4.31 H new ATOM 0 HG21 ILE A 625 -0.055 3.776 -1.613 1.00 1.32 H new ATOM 0 HG22 ILE A 625 -0.385 5.370 -0.892 1.00 1.32 H new ATOM 0 HG23 ILE A 625 1.295 4.836 -1.142 1.00 1.32 H new ATOM 0 HD11 ILE A 625 1.502 0.749 -0.441 1.00 43.32 H new ATOM 0 HD12 ILE A 625 -0.201 1.264 -0.393 1.00 43.32 H new ATOM 0 HD13 ILE A 625 0.933 2.044 -1.521 1.00 43.32 H new ATOM 706 N ASN A 626 -0.293 4.097 3.545 1.00 64.31 N ATOM 707 CA ASN A 626 -0.411 3.373 4.791 1.00 14.40 C ATOM 708 C ASN A 626 -1.575 2.408 4.676 1.00 31.22 C ATOM 709 O ASN A 626 -2.496 2.652 3.896 1.00 44.40 O ATOM 710 CB ASN A 626 -0.659 4.348 5.952 1.00 75.12 C ATOM 711 CG ASN A 626 -0.691 3.660 7.306 1.00 65.12 C ATOM 712 OD1 ASN A 626 -0.006 2.652 7.527 1.00 1.34 O ATOM 713 ND2 ASN A 626 -1.480 4.179 8.205 1.00 63.13 N ATOM 0 H ASN A 626 -1.165 4.509 3.213 1.00 64.31 H new ATOM 0 HA ASN A 626 0.513 2.829 4.989 1.00 14.40 H new ATOM 0 HB2 ASN A 626 0.122 5.108 5.955 1.00 75.12 H new ATOM 0 HB3 ASN A 626 -1.605 4.864 5.790 1.00 75.12 H new ATOM 0 HD21 ASN A 626 -1.549 3.754 9.130 1.00 63.13 H new ATOM 0 HD22 ASN A 626 -2.028 5.010 7.984 1.00 63.13 H new ATOM 719 N VAL A 627 -1.524 1.309 5.401 1.00 14.31 N ATOM 720 CA VAL A 627 -2.634 0.387 5.427 1.00 14.53 C ATOM 721 C VAL A 627 -3.629 0.861 6.409 1.00 73.25 C ATOM 722 O VAL A 627 -3.359 0.854 7.613 1.00 72.31 O ATOM 723 CB VAL A 627 -2.237 -1.062 5.796 1.00 30.44 C ATOM 724 CG1 VAL A 627 -3.483 -1.944 5.934 1.00 31.45 C ATOM 725 CG2 VAL A 627 -1.351 -1.627 4.736 1.00 31.40 C ATOM 0 H VAL A 627 -0.728 1.036 5.977 1.00 14.31 H new ATOM 0 HA VAL A 627 -3.036 0.360 4.414 1.00 14.53 H new ATOM 0 HB VAL A 627 -1.709 -1.043 6.749 1.00 30.44 H new ATOM 0 HG11 VAL A 627 -3.183 -2.959 6.194 1.00 31.45 H new ATOM 0 HG12 VAL A 627 -4.127 -1.544 6.717 1.00 31.45 H new ATOM 0 HG13 VAL A 627 -4.026 -1.957 4.989 1.00 31.45 H new ATOM 0 HG21 VAL A 627 -1.074 -2.648 5.000 1.00 31.40 H new ATOM 0 HG22 VAL A 627 -1.880 -1.629 3.783 1.00 31.40 H new ATOM 0 HG23 VAL A 627 -0.452 -1.017 4.650 1.00 31.40 H new ATOM 731 N CYS A 628 -4.749 1.294 5.889 1.00 70.44 N ATOM 732 CA CYS A 628 -5.879 1.736 6.651 1.00 62.01 C ATOM 733 C CYS A 628 -5.654 3.124 7.248 1.00 61.41 C ATOM 734 O CYS A 628 -4.538 3.500 7.630 1.00 5.10 O ATOM 735 CB CYS A 628 -6.197 0.686 7.734 1.00 72.32 C ATOM 736 SG CYS A 628 -7.467 1.117 8.931 1.00 73.35 S ATOM 0 H CYS A 628 -4.900 1.349 4.882 1.00 70.44 H new ATOM 0 HA CYS A 628 -6.740 1.832 5.989 1.00 62.01 H new ATOM 0 HB2 CYS A 628 -6.498 -0.236 7.236 1.00 72.32 H new ATOM 0 HB3 CYS A 628 -5.277 0.469 8.277 1.00 72.32 H new ATOM 741 N GLY A 629 -6.723 3.861 7.320 1.00 2.43 N ATOM 742 CA GLY A 629 -6.707 5.152 7.925 1.00 70.22 C ATOM 743 C GLY A 629 -5.976 6.154 7.090 1.00 14.21 C ATOM 744 O GLY A 629 -5.988 6.084 5.853 1.00 44.21 O ATOM 0 H GLY A 629 -7.634 3.578 6.958 1.00 2.43 H new ATOM 0 HA2 GLY A 629 -7.731 5.491 8.084 1.00 70.22 H new ATOM 0 HA3 GLY A 629 -6.237 5.086 8.906 1.00 70.22 H new ATOM 748 N PRO A 630 -5.387 7.120 7.734 1.00 23.12 N ATOM 749 CA PRO A 630 -4.595 8.120 7.098 1.00 62.53 C ATOM 750 C PRO A 630 -3.108 7.769 7.099 1.00 2.23 C ATOM 751 O PRO A 630 -2.642 6.892 7.854 1.00 71.12 O ATOM 752 CB PRO A 630 -4.831 9.350 7.988 1.00 15.40 C ATOM 753 CG PRO A 630 -5.549 8.828 9.218 1.00 14.22 C ATOM 754 CD PRO A 630 -5.485 7.353 9.157 1.00 25.31 C ATOM 0 HA PRO A 630 -4.865 8.253 6.050 1.00 62.53 H new ATOM 0 HB2 PRO A 630 -3.888 9.827 8.257 1.00 15.40 H new ATOM 0 HB3 PRO A 630 -5.431 10.099 7.471 1.00 15.40 H new ATOM 0 HG2 PRO A 630 -5.076 9.198 10.128 1.00 14.22 H new ATOM 0 HG3 PRO A 630 -6.584 9.169 9.235 1.00 14.22 H new ATOM 0 HD2 PRO A 630 -4.624 6.958 9.696 1.00 25.31 H new ATOM 0 HD3 PRO A 630 -6.371 6.887 9.588 1.00 25.31 H new ATOM 762 N VAL A 631 -2.384 8.454 6.278 1.00 41.44 N ATOM 763 CA VAL A 631 -0.976 8.324 6.207 1.00 51.01 C ATOM 764 C VAL A 631 -0.407 9.534 6.909 1.00 12.43 C ATOM 765 O VAL A 631 -0.919 10.650 6.742 1.00 41.11 O ATOM 766 CB VAL A 631 -0.475 8.258 4.719 1.00 22.24 C ATOM 767 CG1 VAL A 631 -0.674 9.544 3.930 1.00 21.44 C ATOM 768 CG2 VAL A 631 0.934 7.760 4.618 1.00 3.22 C ATOM 0 H VAL A 631 -2.769 9.135 5.624 1.00 41.44 H new ATOM 0 HA VAL A 631 -0.650 7.396 6.678 1.00 51.01 H new ATOM 0 HB VAL A 631 -1.125 7.524 4.241 1.00 22.24 H new ATOM 0 HG11 VAL A 631 -0.301 9.409 2.915 1.00 21.44 H new ATOM 0 HG12 VAL A 631 -1.735 9.790 3.897 1.00 21.44 H new ATOM 0 HG13 VAL A 631 -0.129 10.355 4.413 1.00 21.44 H new ATOM 0 HG21 VAL A 631 1.236 7.732 3.571 1.00 3.22 H new ATOM 0 HG22 VAL A 631 1.596 8.428 5.169 1.00 3.22 H new ATOM 0 HG23 VAL A 631 0.997 6.757 5.041 1.00 3.22 H new ATOM 774 N SER A 632 0.562 9.348 7.725 1.00 50.34 N ATOM 775 CA SER A 632 1.122 10.461 8.397 1.00 20.34 C ATOM 776 C SER A 632 2.471 10.802 7.797 1.00 34.31 C ATOM 777 O SER A 632 3.507 10.312 8.245 1.00 24.43 O ATOM 778 CB SER A 632 1.194 10.219 9.917 1.00 22.14 C ATOM 779 OG SER A 632 1.625 11.378 10.620 1.00 1.55 O ATOM 0 H SER A 632 0.982 8.444 7.943 1.00 50.34 H new ATOM 0 HA SER A 632 0.471 11.324 8.258 1.00 20.34 H new ATOM 0 HB2 SER A 632 0.213 9.917 10.283 1.00 22.14 H new ATOM 0 HB3 SER A 632 1.878 9.395 10.121 1.00 22.14 H new ATOM 0 HG SER A 632 1.656 11.185 11.580 1.00 1.55 H new ATOM 785 N VAL A 633 2.448 11.553 6.715 1.00 14.22 N ATOM 786 CA VAL A 633 3.680 11.996 6.080 1.00 11.43 C ATOM 787 C VAL A 633 3.725 13.506 6.108 1.00 4.01 C ATOM 788 O VAL A 633 2.721 14.162 5.823 1.00 33.11 O ATOM 789 CB VAL A 633 3.766 11.530 4.607 1.00 44.21 C ATOM 790 CG1 VAL A 633 5.147 11.764 4.022 1.00 62.21 C ATOM 791 CG2 VAL A 633 3.378 10.101 4.483 1.00 64.21 C ATOM 0 H VAL A 633 1.595 11.870 6.255 1.00 14.22 H new ATOM 0 HA VAL A 633 4.518 11.563 6.627 1.00 11.43 H new ATOM 0 HB VAL A 633 3.061 12.132 4.033 1.00 44.21 H new ATOM 0 HG11 VAL A 633 5.166 11.424 2.987 1.00 62.21 H new ATOM 0 HG12 VAL A 633 5.382 12.828 4.059 1.00 62.21 H new ATOM 0 HG13 VAL A 633 5.886 11.209 4.600 1.00 62.21 H new ATOM 0 HG21 VAL A 633 3.446 9.795 3.439 1.00 64.21 H new ATOM 0 HG22 VAL A 633 4.049 9.488 5.085 1.00 64.21 H new ATOM 0 HG23 VAL A 633 2.354 9.970 4.834 1.00 64.21 H new ATOM 797 N GLY A 634 4.888 14.063 6.393 1.00 72.24 N ATOM 798 CA GLY A 634 5.034 15.508 6.480 1.00 12.34 C ATOM 799 C GLY A 634 5.126 16.185 5.117 1.00 11.53 C ATOM 800 O GLY A 634 5.718 17.253 4.985 1.00 41.11 O ATOM 0 H GLY A 634 5.745 13.539 6.568 1.00 72.24 H new ATOM 0 HA2 GLY A 634 4.186 15.920 7.027 1.00 12.34 H new ATOM 0 HA3 GLY A 634 5.929 15.742 7.056 1.00 12.34 H new ATOM 804 N ALA A 635 4.548 15.561 4.114 1.00 31.23 N ATOM 805 CA ALA A 635 4.527 16.104 2.775 1.00 2.13 C ATOM 806 C ALA A 635 3.173 15.853 2.151 1.00 40.13 C ATOM 807 O ALA A 635 2.931 16.179 0.980 1.00 74.41 O ATOM 808 CB ALA A 635 5.622 15.469 1.932 1.00 21.33 C ATOM 0 H ALA A 635 4.078 14.660 4.205 1.00 31.23 H new ATOM 0 HA ALA A 635 4.707 17.178 2.820 1.00 2.13 H new ATOM 0 HB1 ALA A 635 5.595 15.887 0.926 1.00 21.33 H new ATOM 0 HB2 ALA A 635 6.593 15.673 2.384 1.00 21.33 H new ATOM 0 HB3 ALA A 635 5.464 14.392 1.882 1.00 21.33 H new ATOM 814 N CYS A 636 2.278 15.310 2.937 1.00 74.23 N ATOM 815 CA CYS A 636 0.980 14.930 2.462 1.00 24.10 C ATOM 816 C CYS A 636 -0.083 15.526 3.367 1.00 54.34 C ATOM 817 O CYS A 636 0.230 15.954 4.483 1.00 0.33 O ATOM 818 CB CYS A 636 0.875 13.411 2.491 1.00 41.15 C ATOM 819 SG CYS A 636 2.156 12.555 1.530 1.00 22.03 S ATOM 0 H CYS A 636 2.434 15.120 3.927 1.00 74.23 H new ATOM 0 HA CYS A 636 0.834 15.295 1.445 1.00 24.10 H new ATOM 0 HB2 CYS A 636 0.928 13.074 3.526 1.00 41.15 H new ATOM 0 HB3 CYS A 636 -0.104 13.119 2.111 1.00 41.15 H new ATOM 824 N PRO A 637 -1.339 15.612 2.907 1.00 1.31 N ATOM 825 CA PRO A 637 -2.439 16.064 3.748 1.00 73.24 C ATOM 826 C PRO A 637 -2.734 15.026 4.846 1.00 52.23 C ATOM 827 O PRO A 637 -2.656 13.812 4.595 1.00 41.23 O ATOM 828 CB PRO A 637 -3.628 16.172 2.779 1.00 63.51 C ATOM 829 CG PRO A 637 -3.024 16.149 1.417 1.00 1.42 C ATOM 830 CD PRO A 637 -1.791 15.319 1.534 1.00 72.01 C ATOM 0 HA PRO A 637 -2.223 17.004 4.256 1.00 73.24 H new ATOM 0 HB2 PRO A 637 -4.324 15.344 2.915 1.00 63.51 H new ATOM 0 HB3 PRO A 637 -4.190 17.091 2.945 1.00 63.51 H new ATOM 0 HG2 PRO A 637 -3.715 15.723 0.690 1.00 1.42 H new ATOM 0 HG3 PRO A 637 -2.786 17.157 1.078 1.00 1.42 H new ATOM 0 HD2 PRO A 637 -2.001 14.259 1.393 1.00 72.01 H new ATOM 0 HD3 PRO A 637 -1.042 15.597 0.792 1.00 72.01 H new ATOM 838 N PRO A 638 -3.066 15.468 6.078 1.00 62.15 N ATOM 839 CA PRO A 638 -3.351 14.556 7.211 1.00 45.52 C ATOM 840 C PRO A 638 -4.601 13.710 6.961 1.00 45.20 C ATOM 841 O PRO A 638 -4.801 12.659 7.579 1.00 34.30 O ATOM 842 CB PRO A 638 -3.593 15.509 8.393 1.00 21.25 C ATOM 843 CG PRO A 638 -3.006 16.813 7.967 1.00 74.32 C ATOM 844 CD PRO A 638 -3.177 16.879 6.481 1.00 3.32 C ATOM 0 HA PRO A 638 -2.539 13.848 7.376 1.00 45.52 H new ATOM 0 HB2 PRO A 638 -4.657 15.607 8.609 1.00 21.25 H new ATOM 0 HB3 PRO A 638 -3.116 15.140 9.301 1.00 21.25 H new ATOM 0 HG2 PRO A 638 -3.512 17.646 8.455 1.00 74.32 H new ATOM 0 HG3 PRO A 638 -1.953 16.875 8.241 1.00 74.32 H new ATOM 0 HD2 PRO A 638 -4.141 17.305 6.203 1.00 3.32 H new ATOM 0 HD3 PRO A 638 -2.410 17.495 6.012 1.00 3.32 H new ATOM 852 N ASP A 639 -5.417 14.181 6.042 1.00 64.11 N ATOM 853 CA ASP A 639 -6.667 13.538 5.650 1.00 61.14 C ATOM 854 C ASP A 639 -6.460 12.481 4.585 1.00 62.14 C ATOM 855 O ASP A 639 -7.406 11.828 4.172 1.00 5.03 O ATOM 856 CB ASP A 639 -7.653 14.577 5.119 1.00 71.12 C ATOM 857 CG ASP A 639 -7.074 15.433 3.997 1.00 23.32 C ATOM 858 OD1 ASP A 639 -6.968 14.962 2.847 1.00 53.43 O ATOM 859 OD2 ASP A 639 -6.706 16.605 4.271 1.00 0.24 O ATOM 0 H ASP A 639 -5.230 15.043 5.530 1.00 64.11 H new ATOM 0 HA ASP A 639 -7.064 13.055 6.543 1.00 61.14 H new ATOM 0 HB2 ASP A 639 -8.547 14.069 4.756 1.00 71.12 H new ATOM 0 HB3 ASP A 639 -7.965 15.225 5.938 1.00 71.12 H new ATOM 864 N SER A 640 -5.250 12.313 4.140 1.00 1.01 N ATOM 865 CA SER A 640 -4.978 11.359 3.100 1.00 73.35 C ATOM 866 C SER A 640 -4.416 10.075 3.693 1.00 13.25 C ATOM 867 O SER A 640 -3.748 10.112 4.713 1.00 63.51 O ATOM 868 CB SER A 640 -3.984 11.959 2.123 1.00 25.43 C ATOM 869 OG SER A 640 -4.446 13.211 1.652 1.00 12.40 O ATOM 0 H SER A 640 -4.434 12.823 4.479 1.00 1.01 H new ATOM 0 HA SER A 640 -5.905 11.120 2.579 1.00 73.35 H new ATOM 0 HB2 SER A 640 -3.016 12.081 2.609 1.00 25.43 H new ATOM 0 HB3 SER A 640 -3.836 11.280 1.283 1.00 25.43 H new ATOM 0 HG SER A 640 -3.986 13.436 0.816 1.00 12.40 H new ATOM 875 N GLY A 641 -4.720 8.954 3.067 1.00 30.55 N ATOM 876 CA GLY A 641 -4.176 7.669 3.487 1.00 2.23 C ATOM 877 C GLY A 641 -3.134 7.171 2.506 1.00 11.24 C ATOM 878 O GLY A 641 -2.311 6.303 2.823 1.00 53.43 O ATOM 0 H GLY A 641 -5.344 8.904 2.261 1.00 30.55 H new ATOM 0 HA2 GLY A 641 -3.731 7.765 4.477 1.00 2.23 H new ATOM 0 HA3 GLY A 641 -4.981 6.939 3.569 1.00 2.23 H new ATOM 882 N ALA A 642 -3.175 7.730 1.316 1.00 4.54 N ATOM 883 CA ALA A 642 -2.230 7.423 0.266 1.00 10.35 C ATOM 884 C ALA A 642 -1.946 8.698 -0.490 1.00 14.11 C ATOM 885 O ALA A 642 -2.871 9.388 -0.938 1.00 11.30 O ATOM 886 CB ALA A 642 -2.788 6.345 -0.653 1.00 31.24 C ATOM 0 H ALA A 642 -3.876 8.420 1.048 1.00 4.54 H new ATOM 0 HA ALA A 642 -1.303 7.034 0.687 1.00 10.35 H new ATOM 0 HB1 ALA A 642 -2.064 6.126 -1.438 1.00 31.24 H new ATOM 0 HB2 ALA A 642 -2.983 5.441 -0.077 1.00 31.24 H new ATOM 0 HB3 ALA A 642 -3.717 6.696 -1.103 1.00 31.24 H new ATOM 892 N CYS A 643 -0.699 9.039 -0.595 1.00 23.22 N ATOM 893 CA CYS A 643 -0.304 10.271 -1.213 1.00 64.22 C ATOM 894 C CYS A 643 0.931 10.085 -2.068 1.00 62.13 C ATOM 895 O CYS A 643 1.872 9.391 -1.677 1.00 40.15 O ATOM 896 CB CYS A 643 -0.033 11.312 -0.138 1.00 31.54 C ATOM 897 SG CYS A 643 1.259 10.814 1.054 1.00 13.04 S ATOM 0 H CYS A 643 0.077 8.471 -0.255 1.00 23.22 H new ATOM 0 HA CYS A 643 -1.115 10.607 -1.859 1.00 64.22 H new ATOM 0 HB2 CYS A 643 0.265 12.246 -0.615 1.00 31.54 H new ATOM 0 HB3 CYS A 643 -0.958 11.512 0.404 1.00 31.54 H new ATOM 902 N GLN A 644 0.928 10.650 -3.237 1.00 1.22 N ATOM 903 CA GLN A 644 2.111 10.629 -4.048 1.00 53.42 C ATOM 904 C GLN A 644 2.725 11.985 -4.077 1.00 45.43 C ATOM 905 O GLN A 644 2.018 12.987 -4.095 1.00 24.31 O ATOM 906 CB GLN A 644 1.861 10.182 -5.468 1.00 23.23 C ATOM 907 CG GLN A 644 0.800 10.972 -6.219 1.00 63.33 C ATOM 908 CD GLN A 644 0.730 10.617 -7.694 1.00 24.33 C ATOM 909 OE1 GLN A 644 0.007 9.726 -8.094 1.00 62.03 O ATOM 910 NE2 GLN A 644 1.474 11.323 -8.511 1.00 41.41 N ATOM 0 H GLN A 644 0.127 11.128 -3.650 1.00 1.22 H new ATOM 0 HA GLN A 644 2.780 9.900 -3.591 1.00 53.42 H new ATOM 0 HB2 GLN A 644 2.798 10.245 -6.022 1.00 23.23 H new ATOM 0 HB3 GLN A 644 1.568 9.132 -5.455 1.00 23.23 H new ATOM 0 HG2 GLN A 644 -0.172 10.791 -5.761 1.00 63.33 H new ATOM 0 HG3 GLN A 644 1.007 12.037 -6.117 1.00 63.33 H new ATOM 0 HE21 GLN A 644 2.071 12.065 -8.145 1.00 41.41 H new ATOM 0 HE22 GLN A 644 1.456 11.130 -9.512 1.00 41.41 H new ATOM 918 N VAL A 645 4.012 12.027 -4.081 1.00 63.25 N ATOM 919 CA VAL A 645 4.720 13.259 -4.143 1.00 31.02 C ATOM 920 C VAL A 645 5.836 13.165 -5.168 1.00 60.21 C ATOM 921 O VAL A 645 6.533 12.149 -5.263 1.00 30.03 O ATOM 922 CB VAL A 645 5.240 13.729 -2.728 1.00 61.33 C ATOM 923 CG1 VAL A 645 6.115 12.692 -2.069 1.00 73.42 C ATOM 924 CG2 VAL A 645 5.970 15.069 -2.808 1.00 3.35 C ATOM 0 H VAL A 645 4.608 11.200 -4.041 1.00 63.25 H new ATOM 0 HA VAL A 645 4.024 14.033 -4.468 1.00 31.02 H new ATOM 0 HB VAL A 645 4.354 13.860 -2.106 1.00 61.33 H new ATOM 0 HG11 VAL A 645 6.448 13.060 -1.099 1.00 73.42 H new ATOM 0 HG12 VAL A 645 5.548 11.771 -1.932 1.00 73.42 H new ATOM 0 HG13 VAL A 645 6.982 12.494 -2.699 1.00 73.42 H new ATOM 0 HG21 VAL A 645 6.312 15.357 -1.814 1.00 3.35 H new ATOM 0 HG22 VAL A 645 6.828 14.977 -3.474 1.00 3.35 H new ATOM 0 HG23 VAL A 645 5.292 15.830 -3.193 1.00 3.35 H new ATOM 930 N SER A 646 5.943 14.184 -5.978 1.00 54.04 N ATOM 931 CA SER A 646 6.980 14.279 -6.947 1.00 21.14 C ATOM 932 C SER A 646 8.259 14.559 -6.216 1.00 64.32 C ATOM 933 O SER A 646 8.414 15.619 -5.629 1.00 60.42 O ATOM 934 CB SER A 646 6.679 15.412 -7.941 1.00 63.21 C ATOM 935 OG SER A 646 7.719 15.556 -8.907 1.00 1.30 O ATOM 0 H SER A 646 5.301 14.976 -5.977 1.00 54.04 H new ATOM 0 HA SER A 646 7.058 13.350 -7.513 1.00 21.14 H new ATOM 0 HB2 SER A 646 5.736 15.210 -8.449 1.00 63.21 H new ATOM 0 HB3 SER A 646 6.554 16.349 -7.398 1.00 63.21 H new ATOM 0 HG SER A 646 7.494 16.284 -9.524 1.00 1.30 H new ATOM 941 N ARG A 647 9.162 13.613 -6.228 1.00 55.22 N ATOM 942 CA ARG A 647 10.411 13.777 -5.529 1.00 21.55 C ATOM 943 C ARG A 647 11.249 14.794 -6.292 1.00 35.42 C ATOM 944 O ARG A 647 12.180 15.402 -5.760 1.00 65.11 O ATOM 945 CB ARG A 647 11.127 12.415 -5.373 1.00 71.45 C ATOM 946 CG ARG A 647 11.730 11.843 -6.640 1.00 11.53 C ATOM 947 CD ARG A 647 12.045 10.357 -6.503 1.00 53.42 C ATOM 948 NE ARG A 647 12.819 10.035 -5.313 1.00 31.15 N ATOM 949 CZ ARG A 647 13.269 8.815 -4.993 1.00 30.43 C ATOM 950 NH1 ARG A 647 13.166 7.790 -5.858 1.00 3.52 N ATOM 951 NH2 ARG A 647 13.834 8.630 -3.815 1.00 52.41 N ATOM 0 H ARG A 647 9.057 12.722 -6.713 1.00 55.22 H new ATOM 0 HA ARG A 647 10.244 14.150 -4.518 1.00 21.55 H new ATOM 0 HB2 ARG A 647 11.919 12.524 -4.632 1.00 71.45 H new ATOM 0 HB3 ARG A 647 10.414 11.694 -4.974 1.00 71.45 H new ATOM 0 HG2 ARG A 647 11.039 11.992 -7.470 1.00 11.53 H new ATOM 0 HG3 ARG A 647 12.643 12.386 -6.884 1.00 11.53 H new ATOM 0 HD2 ARG A 647 11.111 9.796 -6.482 1.00 53.42 H new ATOM 0 HD3 ARG A 647 12.595 10.027 -7.385 1.00 53.42 H new ATOM 0 HE ARG A 647 13.036 10.799 -4.672 1.00 31.15 H new ATOM 0 HH11 ARG A 647 12.740 7.936 -6.773 1.00 3.52 H new ATOM 0 HH12 ARG A 647 13.514 6.867 -5.599 1.00 3.52 H new ATOM 0 HH21 ARG A 647 13.923 9.410 -3.164 1.00 52.41 H new ATOM 0 HH22 ARG A 647 14.182 7.707 -3.556 1.00 52.41 H new ATOM 963 N SER A 648 10.888 14.969 -7.562 1.00 54.13 N ATOM 964 CA SER A 648 11.557 15.879 -8.428 1.00 22.23 C ATOM 965 C SER A 648 11.049 17.337 -8.226 1.00 15.12 C ATOM 966 O SER A 648 11.848 18.254 -8.013 1.00 75.33 O ATOM 967 CB SER A 648 11.331 15.430 -9.886 1.00 22.43 C ATOM 968 OG SER A 648 12.139 16.153 -10.793 1.00 25.32 O ATOM 0 H SER A 648 10.115 14.470 -8.002 1.00 54.13 H new ATOM 0 HA SER A 648 12.622 15.872 -8.194 1.00 22.23 H new ATOM 0 HB2 SER A 648 11.548 14.366 -9.976 1.00 22.43 H new ATOM 0 HB3 SER A 648 10.282 15.564 -10.148 1.00 22.43 H new ATOM 0 HG SER A 648 11.968 15.839 -11.705 1.00 25.32 H new ATOM 974 N ASP A 649 9.717 17.530 -8.242 1.00 32.11 N ATOM 975 CA ASP A 649 9.138 18.901 -8.210 1.00 74.30 C ATOM 976 C ASP A 649 8.548 19.296 -6.848 1.00 24.24 C ATOM 977 O ASP A 649 8.282 20.467 -6.587 1.00 12.22 O ATOM 978 CB ASP A 649 8.106 19.080 -9.335 1.00 11.13 C ATOM 979 CG ASP A 649 7.582 20.500 -9.448 1.00 71.33 C ATOM 980 OD1 ASP A 649 8.237 21.331 -10.094 1.00 23.34 O ATOM 981 OD2 ASP A 649 6.516 20.800 -8.899 1.00 21.43 O ATOM 0 H ASP A 649 9.029 16.778 -8.276 1.00 32.11 H new ATOM 0 HA ASP A 649 9.970 19.585 -8.377 1.00 74.30 H new ATOM 0 HB2 ASP A 649 8.559 18.791 -10.283 1.00 11.13 H new ATOM 0 HB3 ASP A 649 7.269 18.404 -9.162 1.00 11.13 H new ATOM 986 N ARG A 650 8.381 18.321 -5.984 1.00 13.53 N ATOM 987 CA ARG A 650 7.804 18.512 -4.621 1.00 55.33 C ATOM 988 C ARG A 650 6.303 18.775 -4.585 1.00 63.10 C ATOM 989 O ARG A 650 5.779 19.277 -3.590 1.00 60.11 O ATOM 990 CB ARG A 650 8.581 19.538 -3.761 1.00 64.51 C ATOM 991 CG ARG A 650 9.919 19.046 -3.217 1.00 52.42 C ATOM 992 CD ARG A 650 10.931 18.700 -4.299 1.00 14.23 C ATOM 993 NE ARG A 650 12.169 18.191 -3.716 1.00 3.44 N ATOM 994 CZ ARG A 650 13.345 18.116 -4.335 1.00 10.12 C ATOM 995 NH1 ARG A 650 13.450 18.428 -5.619 1.00 31.02 N ATOM 996 NH2 ARG A 650 14.411 17.701 -3.665 1.00 23.25 N ATOM 0 H ARG A 650 8.636 17.354 -6.184 1.00 13.53 H new ATOM 0 HA ARG A 650 7.937 17.534 -4.159 1.00 55.33 H new ATOM 0 HB2 ARG A 650 8.757 20.432 -4.360 1.00 64.51 H new ATOM 0 HB3 ARG A 650 7.952 19.835 -2.922 1.00 64.51 H new ATOM 0 HG2 ARG A 650 10.342 19.814 -2.569 1.00 52.42 H new ATOM 0 HG3 ARG A 650 9.747 18.165 -2.598 1.00 52.42 H new ATOM 0 HD2 ARG A 650 10.508 17.954 -4.972 1.00 14.23 H new ATOM 0 HD3 ARG A 650 11.144 19.585 -4.898 1.00 14.23 H new ATOM 0 HE ARG A 650 12.129 17.865 -2.750 1.00 3.44 H new ATOM 0 HH11 ARG A 650 12.626 18.728 -6.140 1.00 31.02 H new ATOM 0 HH12 ARG A 650 14.355 18.368 -6.086 1.00 31.02 H new ATOM 0 HH21 ARG A 650 14.327 17.442 -2.682 1.00 23.25 H new ATOM 0 HH22 ARG A 650 15.316 17.641 -4.132 1.00 23.25 H new ATOM 1008 N LYS A 651 5.605 18.404 -5.624 1.00 62.23 N ATOM 1009 CA LYS A 651 4.159 18.461 -5.576 1.00 22.44 C ATOM 1010 C LYS A 651 3.607 17.155 -5.091 1.00 14.11 C ATOM 1011 O LYS A 651 4.120 16.103 -5.468 1.00 23.31 O ATOM 1012 CB LYS A 651 3.549 18.733 -6.912 1.00 1.42 C ATOM 1013 CG LYS A 651 3.896 20.030 -7.477 1.00 43.21 C ATOM 1014 CD LYS A 651 2.855 20.396 -8.488 1.00 73.54 C ATOM 1015 CE LYS A 651 3.126 21.708 -9.115 1.00 23.45 C ATOM 1016 NZ LYS A 651 4.290 21.669 -10.029 1.00 54.43 N ATOM 0 H LYS A 651 5.999 18.064 -6.501 1.00 62.23 H new ATOM 0 HA LYS A 651 3.910 19.278 -4.899 1.00 22.44 H new ATOM 0 HB2 LYS A 651 3.860 17.952 -7.606 1.00 1.42 H new ATOM 0 HB3 LYS A 651 2.465 18.667 -6.823 1.00 1.42 H new ATOM 0 HG2 LYS A 651 3.945 20.785 -6.692 1.00 43.21 H new ATOM 0 HG3 LYS A 651 4.880 19.990 -7.943 1.00 43.21 H new ATOM 0 HD2 LYS A 651 2.814 19.627 -9.260 1.00 73.54 H new ATOM 0 HD3 LYS A 651 1.877 20.419 -8.008 1.00 73.54 H new ATOM 0 HE2 LYS A 651 2.244 22.032 -9.668 1.00 23.45 H new ATOM 0 HE3 LYS A 651 3.304 22.450 -8.336 1.00 23.45 H new ATOM 0 HZ1 LYS A 651 4.367 22.576 -10.532 1.00 54.43 H new ATOM 0 HZ2 LYS A 651 5.157 21.503 -9.480 1.00 54.43 H new ATOM 0 HZ3 LYS A 651 4.164 20.901 -10.718 1.00 54.43 H new ATOM 1030 N SER A 652 2.593 17.191 -4.273 1.00 64.43 N ATOM 1031 CA SER A 652 1.969 15.976 -3.841 1.00 73.42 C ATOM 1032 C SER A 652 0.483 15.983 -4.126 1.00 30.33 C ATOM 1033 O SER A 652 -0.162 17.045 -4.150 1.00 2.11 O ATOM 1034 CB SER A 652 2.284 15.648 -2.384 1.00 31.14 C ATOM 1035 OG SER A 652 1.916 16.705 -1.505 1.00 5.13 O ATOM 0 H SER A 652 2.184 18.045 -3.894 1.00 64.43 H new ATOM 0 HA SER A 652 2.400 15.167 -4.430 1.00 73.42 H new ATOM 0 HB2 SER A 652 1.758 14.738 -2.096 1.00 31.14 H new ATOM 0 HB3 SER A 652 3.350 15.446 -2.281 1.00 31.14 H new ATOM 0 HG SER A 652 2.401 16.611 -0.659 1.00 5.13 H new ATOM 1041 N TRP A 653 -0.050 14.823 -4.367 1.00 12.10 N ATOM 1042 CA TRP A 653 -1.433 14.666 -4.718 1.00 61.20 C ATOM 1043 C TRP A 653 -2.073 13.639 -3.800 1.00 53.13 C ATOM 1044 O TRP A 653 -1.377 12.787 -3.224 1.00 71.11 O ATOM 1045 CB TRP A 653 -1.552 14.236 -6.195 1.00 45.13 C ATOM 1046 CG TRP A 653 -0.955 15.235 -7.173 1.00 24.33 C ATOM 1047 CD1 TRP A 653 -1.597 16.278 -7.784 1.00 13.13 C ATOM 1048 CD2 TRP A 653 0.406 15.280 -7.645 1.00 34.24 C ATOM 1049 NE1 TRP A 653 -0.714 16.962 -8.596 1.00 24.34 N ATOM 1050 CE2 TRP A 653 0.510 16.364 -8.529 1.00 12.22 C ATOM 1051 CE3 TRP A 653 1.538 14.508 -7.401 1.00 51.31 C ATOM 1052 CZ2 TRP A 653 1.701 16.689 -9.169 1.00 43.50 C ATOM 1053 CZ3 TRP A 653 2.713 14.829 -8.031 1.00 15.05 C ATOM 1054 CH2 TRP A 653 2.789 15.910 -8.910 1.00 70.20 C ATOM 0 H TRP A 653 0.469 13.946 -4.325 1.00 12.10 H new ATOM 0 HA TRP A 653 -1.955 15.615 -4.596 1.00 61.20 H new ATOM 0 HB2 TRP A 653 -1.057 13.274 -6.325 1.00 45.13 H new ATOM 0 HB3 TRP A 653 -2.604 14.088 -6.437 1.00 45.13 H new ATOM 0 HD1 TRP A 653 -2.639 16.529 -7.651 1.00 13.13 H new ATOM 0 HE1 TRP A 653 -0.941 17.783 -9.156 1.00 24.34 H new ATOM 0 HE3 TRP A 653 1.492 13.667 -6.725 1.00 51.31 H new ATOM 0 HZ2 TRP A 653 1.762 17.528 -9.846 1.00 43.50 H new ATOM 0 HZ3 TRP A 653 3.595 14.235 -7.844 1.00 15.05 H new ATOM 0 HH2 TRP A 653 3.728 16.134 -9.394 1.00 70.20 H new ATOM 1065 N ASN A 654 -3.374 13.700 -3.681 1.00 21.34 N ATOM 1066 CA ASN A 654 -4.120 12.817 -2.792 1.00 44.13 C ATOM 1067 C ASN A 654 -4.616 11.642 -3.606 1.00 55.30 C ATOM 1068 O ASN A 654 -5.285 11.830 -4.626 1.00 50.40 O ATOM 1069 CB ASN A 654 -5.330 13.574 -2.239 1.00 64.14 C ATOM 1070 CG ASN A 654 -6.079 12.870 -1.128 1.00 54.14 C ATOM 1071 OD1 ASN A 654 -6.095 11.653 -1.033 1.00 31.31 O ATOM 1072 ND2 ASN A 654 -6.722 13.642 -0.299 1.00 14.03 N ATOM 0 H ASN A 654 -3.957 14.361 -4.195 1.00 21.34 H new ATOM 0 HA ASN A 654 -3.487 12.479 -1.971 1.00 44.13 H new ATOM 0 HB2 ASN A 654 -4.995 14.544 -1.871 1.00 64.14 H new ATOM 0 HB3 ASN A 654 -6.023 13.766 -3.058 1.00 64.14 H new ATOM 0 HD21 ASN A 654 -7.263 13.233 0.463 1.00 14.03 H new ATOM 0 HD22 ASN A 654 -6.684 14.655 -0.412 1.00 14.03 H new ATOM 1078 N LEU A 655 -4.292 10.445 -3.165 1.00 4.04 N ATOM 1079 CA LEU A 655 -4.663 9.234 -3.880 1.00 22.12 C ATOM 1080 C LEU A 655 -5.715 8.460 -3.103 1.00 70.43 C ATOM 1081 O LEU A 655 -6.004 7.298 -3.399 1.00 21.02 O ATOM 1082 CB LEU A 655 -3.432 8.356 -4.084 1.00 73.45 C ATOM 1083 CG LEU A 655 -2.254 8.995 -4.807 1.00 44.01 C ATOM 1084 CD1 LEU A 655 -1.134 7.994 -4.979 1.00 74.54 C ATOM 1085 CD2 LEU A 655 -2.681 9.561 -6.143 1.00 32.33 C ATOM 0 H LEU A 655 -3.767 10.280 -2.306 1.00 4.04 H new ATOM 0 HA LEU A 655 -5.075 9.515 -4.849 1.00 22.12 H new ATOM 0 HB2 LEU A 655 -3.089 8.017 -3.107 1.00 73.45 H new ATOM 0 HB3 LEU A 655 -3.734 7.469 -4.641 1.00 73.45 H new ATOM 0 HG LEU A 655 -1.886 9.821 -4.198 1.00 44.01 H new ATOM 0 HD11 LEU A 655 -0.300 8.467 -5.497 1.00 74.54 H new ATOM 0 HD12 LEU A 655 -0.803 7.647 -4.000 1.00 74.54 H new ATOM 0 HD13 LEU A 655 -1.491 7.146 -5.563 1.00 74.54 H new ATOM 0 HD21 LEU A 655 -1.821 10.012 -6.639 1.00 32.33 H new ATOM 0 HD22 LEU A 655 -3.081 8.761 -6.766 1.00 32.33 H new ATOM 0 HD23 LEU A 655 -3.449 10.319 -5.988 1.00 32.33 H new ATOM 1093 N GLY A 656 -6.269 9.094 -2.118 1.00 73.20 N ATOM 1094 CA GLY A 656 -7.274 8.479 -1.329 1.00 1.24 C ATOM 1095 C GLY A 656 -7.264 9.009 0.063 1.00 33.22 C ATOM 1096 O GLY A 656 -6.217 8.999 0.737 1.00 74.24 O ATOM 0 H GLY A 656 -6.035 10.048 -1.844 1.00 73.20 H new ATOM 0 HA2 GLY A 656 -8.251 8.652 -1.780 1.00 1.24 H new ATOM 0 HA3 GLY A 656 -7.117 7.400 -1.312 1.00 1.24 H new ATOM 1100 N ARG A 657 -8.414 9.493 0.508 1.00 31.33 N ATOM 1101 CA ARG A 657 -8.544 10.042 1.834 1.00 40.12 C ATOM 1102 C ARG A 657 -8.463 8.905 2.846 1.00 20.34 C ATOM 1103 O ARG A 657 -8.547 7.733 2.466 1.00 71.40 O ATOM 1104 CB ARG A 657 -9.889 10.749 1.996 1.00 71.31 C ATOM 1105 CG ARG A 657 -10.276 11.668 0.853 1.00 31.32 C ATOM 1106 CD ARG A 657 -11.552 12.432 1.170 1.00 30.23 C ATOM 1107 NE ARG A 657 -12.101 13.110 -0.003 1.00 14.44 N ATOM 1108 CZ ARG A 657 -12.528 14.373 -0.060 1.00 14.13 C ATOM 1109 NH1 ARG A 657 -12.388 15.195 0.983 1.00 14.31 N ATOM 1110 NH2 ARG A 657 -13.081 14.813 -1.178 1.00 61.31 N ATOM 0 H ARG A 657 -9.273 9.513 -0.041 1.00 31.33 H new ATOM 0 HA ARG A 657 -7.744 10.764 1.997 1.00 40.12 H new ATOM 0 HB2 ARG A 657 -10.667 9.994 2.114 1.00 71.31 H new ATOM 0 HB3 ARG A 657 -9.867 11.331 2.918 1.00 71.31 H new ATOM 0 HG2 ARG A 657 -9.467 12.372 0.658 1.00 31.32 H new ATOM 0 HG3 ARG A 657 -10.415 11.083 -0.056 1.00 31.32 H new ATOM 0 HD2 ARG A 657 -12.296 11.742 1.569 1.00 30.23 H new ATOM 0 HD3 ARG A 657 -11.348 13.167 1.949 1.00 30.23 H new ATOM 0 HE ARG A 657 -12.164 12.564 -0.862 1.00 14.44 H new ATOM 0 HH11 ARG A 657 -11.949 14.860 1.841 1.00 14.31 H new ATOM 0 HH12 ARG A 657 -12.720 16.157 0.922 1.00 14.31 H new ATOM 0 HH21 ARG A 657 -13.176 14.190 -1.980 1.00 61.31 H new ATOM 0 HH22 ARG A 657 -13.413 15.776 -1.238 1.00 61.31 H new ATOM 1122 N SER A 658 -8.322 9.254 4.103 1.00 64.44 N ATOM 1123 CA SER A 658 -8.238 8.292 5.190 1.00 64.41 C ATOM 1124 C SER A 658 -9.462 7.380 5.197 1.00 55.22 C ATOM 1125 O SER A 658 -10.597 7.853 5.289 1.00 31.51 O ATOM 1126 CB SER A 658 -8.149 9.056 6.494 1.00 24.22 C ATOM 1127 OG SER A 658 -9.211 9.993 6.595 1.00 23.32 O ATOM 0 H SER A 658 -8.261 10.225 4.409 1.00 64.44 H new ATOM 0 HA SER A 658 -7.356 7.665 5.060 1.00 64.41 H new ATOM 0 HB2 SER A 658 -8.188 8.361 7.333 1.00 24.22 H new ATOM 0 HB3 SER A 658 -7.192 9.574 6.554 1.00 24.22 H new ATOM 0 HG SER A 658 -10.000 9.644 6.131 1.00 23.32 H new ATOM 1133 N ASN A 659 -9.228 6.093 5.085 1.00 64.31 N ATOM 1134 CA ASN A 659 -10.297 5.120 4.972 1.00 73.34 C ATOM 1135 C ASN A 659 -9.783 3.739 5.370 1.00 24.10 C ATOM 1136 O ASN A 659 -8.596 3.471 5.255 1.00 74.40 O ATOM 1137 CB ASN A 659 -10.847 5.164 3.529 1.00 75.32 C ATOM 1138 CG ASN A 659 -11.878 4.127 3.208 1.00 3.22 C ATOM 1139 OD1 ASN A 659 -13.048 4.300 3.493 1.00 33.14 O ATOM 1140 ND2 ASN A 659 -11.469 3.095 2.516 1.00 53.32 N ATOM 0 H ASN A 659 -8.292 5.688 5.069 1.00 64.31 H new ATOM 0 HA ASN A 659 -11.116 5.354 5.651 1.00 73.34 H new ATOM 0 HB2 ASN A 659 -11.278 6.149 3.351 1.00 75.32 H new ATOM 0 HB3 ASN A 659 -10.013 5.051 2.836 1.00 75.32 H new ATOM 0 HD21 ASN A 659 -12.141 2.398 2.194 1.00 53.32 H new ATOM 0 HD22 ASN A 659 -10.478 2.987 2.298 1.00 53.32 H new ATOM 1146 N ALA A 660 -10.653 2.876 5.846 1.00 55.51 N ATOM 1147 CA ALA A 660 -10.216 1.589 6.367 1.00 64.10 C ATOM 1148 C ALA A 660 -10.989 0.442 5.771 1.00 63.11 C ATOM 1149 O ALA A 660 -10.929 -0.673 6.269 1.00 42.50 O ATOM 1150 CB ALA A 660 -10.362 1.572 7.876 1.00 33.33 C ATOM 0 H ALA A 660 -11.660 3.035 5.886 1.00 55.51 H new ATOM 0 HA ALA A 660 -9.170 1.461 6.089 1.00 64.10 H new ATOM 0 HB1 ALA A 660 -10.034 0.607 8.262 1.00 33.33 H new ATOM 0 HB2 ALA A 660 -9.751 2.363 8.310 1.00 33.33 H new ATOM 0 HB3 ALA A 660 -11.407 1.733 8.142 1.00 33.33 H new ATOM 1156 N LYS A 661 -11.682 0.701 4.695 1.00 21.23 N ATOM 1157 CA LYS A 661 -12.504 -0.322 4.079 1.00 20.43 C ATOM 1158 C LYS A 661 -11.634 -1.375 3.384 1.00 13.53 C ATOM 1159 O LYS A 661 -11.075 -1.120 2.310 1.00 12.15 O ATOM 1160 CB LYS A 661 -13.477 0.290 3.060 1.00 51.14 C ATOM 1161 CG LYS A 661 -14.353 1.408 3.588 1.00 71.13 C ATOM 1162 CD LYS A 661 -15.195 0.971 4.761 1.00 33.41 C ATOM 1163 CE LYS A 661 -16.188 2.053 5.116 1.00 4.11 C ATOM 1164 NZ LYS A 661 -17.105 1.666 6.216 1.00 73.32 N ATOM 0 H LYS A 661 -11.698 1.605 4.224 1.00 21.23 H new ATOM 0 HA LYS A 661 -13.079 -0.800 4.872 1.00 20.43 H new ATOM 0 HB2 LYS A 661 -12.901 0.670 2.216 1.00 51.14 H new ATOM 0 HB3 LYS A 661 -14.120 -0.502 2.676 1.00 51.14 H new ATOM 0 HG2 LYS A 661 -13.726 2.248 3.887 1.00 71.13 H new ATOM 0 HG3 LYS A 661 -15.004 1.765 2.790 1.00 71.13 H new ATOM 0 HD2 LYS A 661 -15.722 0.048 4.517 1.00 33.41 H new ATOM 0 HD3 LYS A 661 -14.556 0.757 5.618 1.00 33.41 H new ATOM 0 HE2 LYS A 661 -15.646 2.954 5.403 1.00 4.11 H new ATOM 0 HE3 LYS A 661 -16.776 2.302 4.232 1.00 4.11 H new ATOM 0 HZ1 LYS A 661 -17.716 2.472 6.459 1.00 73.32 H new ATOM 0 HZ2 LYS A 661 -17.694 0.865 5.911 1.00 73.32 H new ATOM 0 HZ3 LYS A 661 -16.549 1.390 7.050 1.00 73.32 H new ATOM 1178 N LEU A 662 -11.470 -2.507 4.020 1.00 44.23 N ATOM 1179 CA LEU A 662 -10.773 -3.625 3.415 1.00 55.11 C ATOM 1180 C LEU A 662 -11.746 -4.536 2.761 1.00 52.25 C ATOM 1181 O LEU A 662 -12.728 -4.921 3.355 1.00 61.51 O ATOM 1182 CB LEU A 662 -9.977 -4.439 4.424 1.00 5.33 C ATOM 1183 CG LEU A 662 -8.714 -3.835 4.988 1.00 53.13 C ATOM 1184 CD1 LEU A 662 -8.145 -4.792 5.983 1.00 4.22 C ATOM 1185 CD2 LEU A 662 -7.703 -3.621 3.890 1.00 41.22 C ATOM 0 H LEU A 662 -11.811 -2.684 4.965 1.00 44.23 H new ATOM 0 HA LEU A 662 -10.079 -3.198 2.691 1.00 55.11 H new ATOM 0 HB2 LEU A 662 -10.637 -4.672 5.260 1.00 5.33 H new ATOM 0 HB3 LEU A 662 -9.712 -5.386 3.954 1.00 5.33 H new ATOM 0 HG LEU A 662 -8.943 -2.876 5.453 1.00 53.13 H new ATOM 0 HD11 LEU A 662 -7.230 -4.377 6.405 1.00 4.22 H new ATOM 0 HD12 LEU A 662 -8.869 -4.961 6.781 1.00 4.22 H new ATOM 0 HD13 LEU A 662 -7.921 -5.738 5.491 1.00 4.22 H new ATOM 0 HD21 LEU A 662 -6.797 -3.185 4.310 1.00 41.22 H new ATOM 0 HD22 LEU A 662 -7.464 -4.577 3.424 1.00 41.22 H new ATOM 0 HD23 LEU A 662 -8.117 -2.946 3.141 1.00 41.22 H new ATOM 1193 N SER A 663 -11.470 -4.898 1.577 1.00 64.23 N ATOM 1194 CA SER A 663 -12.320 -5.777 0.866 1.00 14.40 C ATOM 1195 C SER A 663 -11.584 -7.060 0.588 1.00 41.04 C ATOM 1196 O SER A 663 -10.379 -7.060 0.347 1.00 42.14 O ATOM 1197 CB SER A 663 -12.759 -5.145 -0.451 1.00 23.13 C ATOM 1198 OG SER A 663 -13.417 -3.909 -0.240 1.00 62.44 O ATOM 0 H SER A 663 -10.643 -4.595 1.062 1.00 64.23 H new ATOM 0 HA SER A 663 -13.206 -5.979 1.468 1.00 14.40 H new ATOM 0 HB2 SER A 663 -11.889 -4.991 -1.089 1.00 23.13 H new ATOM 0 HB3 SER A 663 -13.425 -5.827 -0.979 1.00 23.13 H new ATOM 0 HG SER A 663 -13.551 -3.770 0.721 1.00 62.44 H new ATOM 1204 N TYR A 664 -12.274 -8.137 0.626 1.00 14.13 N ATOM 1205 CA TYR A 664 -11.676 -9.373 0.261 1.00 34.20 C ATOM 1206 C TYR A 664 -12.388 -9.784 -0.994 1.00 14.45 C ATOM 1207 O TYR A 664 -13.615 -9.877 -1.021 1.00 5.11 O ATOM 1208 CB TYR A 664 -11.852 -10.451 1.372 1.00 64.41 C ATOM 1209 CG TYR A 664 -10.980 -11.707 1.231 1.00 44.45 C ATOM 1210 CD1 TYR A 664 -10.857 -12.374 0.018 1.00 55.02 C ATOM 1211 CD2 TYR A 664 -10.274 -12.212 2.324 1.00 1.45 C ATOM 1212 CE1 TYR A 664 -10.073 -13.496 -0.114 1.00 61.43 C ATOM 1213 CE2 TYR A 664 -9.481 -13.346 2.194 1.00 30.22 C ATOM 1214 CZ TYR A 664 -9.389 -13.982 0.968 1.00 11.14 C ATOM 1215 OH TYR A 664 -8.595 -15.111 0.821 1.00 52.23 O ATOM 0 H TYR A 664 -13.253 -8.193 0.905 1.00 14.13 H new ATOM 0 HA TYR A 664 -10.600 -9.271 0.119 1.00 34.20 H new ATOM 0 HB2 TYR A 664 -11.638 -9.990 2.336 1.00 64.41 H new ATOM 0 HB3 TYR A 664 -12.898 -10.758 1.391 1.00 64.41 H new ATOM 0 HD1 TYR A 664 -11.391 -12.001 -0.844 1.00 55.02 H new ATOM 0 HD2 TYR A 664 -10.345 -11.716 3.281 1.00 1.45 H new ATOM 0 HE1 TYR A 664 -9.997 -13.993 -1.070 1.00 61.43 H new ATOM 0 HE2 TYR A 664 -8.939 -13.729 3.046 1.00 30.22 H new ATOM 0 HH TYR A 664 -8.175 -15.329 1.679 1.00 52.23 H new ATOM 1225 N TYR A 665 -11.642 -9.934 -2.028 1.00 61.50 N ATOM 1226 CA TYR A 665 -12.144 -10.361 -3.283 1.00 25.24 C ATOM 1227 C TYR A 665 -11.680 -11.758 -3.449 1.00 41.33 C ATOM 1228 O TYR A 665 -10.557 -12.054 -3.075 1.00 11.13 O ATOM 1229 CB TYR A 665 -11.563 -9.468 -4.383 1.00 22.34 C ATOM 1230 CG TYR A 665 -12.032 -9.822 -5.762 1.00 74.54 C ATOM 1231 CD1 TYR A 665 -13.373 -9.805 -6.063 1.00 31.30 C ATOM 1232 CD2 TYR A 665 -11.137 -10.183 -6.755 1.00 30.34 C ATOM 1233 CE1 TYR A 665 -13.823 -10.125 -7.306 1.00 33.15 C ATOM 1234 CE2 TYR A 665 -11.577 -10.509 -8.019 1.00 35.52 C ATOM 1235 CZ TYR A 665 -12.925 -10.477 -8.292 1.00 42.01 C ATOM 1236 OH TYR A 665 -13.379 -10.794 -9.563 1.00 43.31 O ATOM 0 H TYR A 665 -10.637 -9.758 -2.024 1.00 61.50 H new ATOM 0 HA TYR A 665 -13.231 -10.300 -3.340 1.00 25.24 H new ATOM 0 HB2 TYR A 665 -11.828 -8.432 -4.174 1.00 22.34 H new ATOM 0 HB3 TYR A 665 -10.475 -9.531 -4.352 1.00 22.34 H new ATOM 0 HD1 TYR A 665 -14.084 -9.532 -5.297 1.00 31.30 H new ATOM 0 HD2 TYR A 665 -10.080 -10.209 -6.536 1.00 30.34 H new ATOM 0 HE1 TYR A 665 -14.881 -10.104 -7.521 1.00 33.15 H new ATOM 0 HE2 TYR A 665 -10.871 -10.787 -8.788 1.00 35.52 H new ATOM 0 HH TYR A 665 -12.616 -11.018 -10.136 1.00 43.31 H new ATOM 1246 N ASP A 666 -12.519 -12.635 -3.951 1.00 52.22 N ATOM 1247 CA ASP A 666 -12.100 -14.014 -4.106 1.00 64.40 C ATOM 1248 C ASP A 666 -10.830 -14.075 -4.938 1.00 50.03 C ATOM 1249 O ASP A 666 -10.807 -13.668 -6.115 1.00 1.33 O ATOM 1250 CB ASP A 666 -13.204 -14.856 -4.729 1.00 61.51 C ATOM 1251 CG ASP A 666 -12.804 -16.298 -4.867 1.00 34.31 C ATOM 1252 OD1 ASP A 666 -12.535 -16.940 -3.857 1.00 72.11 O ATOM 1253 OD2 ASP A 666 -12.739 -16.812 -6.002 1.00 12.41 O ATOM 0 H ASP A 666 -13.471 -12.429 -4.253 1.00 52.22 H new ATOM 0 HA ASP A 666 -11.893 -14.429 -3.120 1.00 64.40 H new ATOM 0 HB2 ASP A 666 -14.103 -14.786 -4.116 1.00 61.51 H new ATOM 0 HB3 ASP A 666 -13.456 -14.454 -5.710 1.00 61.51 H new ATOM 1258 N GLY A 667 -9.788 -14.577 -4.323 1.00 71.44 N ATOM 1259 CA GLY A 667 -8.502 -14.590 -4.928 1.00 23.04 C ATOM 1260 C GLY A 667 -7.490 -13.770 -4.122 1.00 72.02 C ATOM 1261 O GLY A 667 -6.463 -14.306 -3.694 1.00 1.11 O ATOM 0 H GLY A 667 -9.819 -14.986 -3.389 1.00 71.44 H new ATOM 0 HA2 GLY A 667 -8.151 -15.618 -5.015 1.00 23.04 H new ATOM 0 HA3 GLY A 667 -8.571 -14.190 -5.940 1.00 23.04 H new ATOM 1265 N MET A 668 -7.793 -12.472 -3.880 1.00 0.44 N ATOM 1266 CA MET A 668 -6.841 -11.570 -3.193 1.00 31.43 C ATOM 1267 C MET A 668 -7.583 -10.536 -2.355 1.00 50.42 C ATOM 1268 O MET A 668 -8.711 -10.158 -2.661 1.00 52.31 O ATOM 1269 CB MET A 668 -5.945 -10.757 -4.173 1.00 32.54 C ATOM 1270 CG MET A 668 -5.183 -11.536 -5.248 1.00 34.30 C ATOM 1271 SD MET A 668 -6.240 -12.120 -6.602 1.00 25.04 S ATOM 1272 CE MET A 668 -5.041 -12.979 -7.625 1.00 10.11 C ATOM 0 H MET A 668 -8.674 -12.033 -4.146 1.00 0.44 H new ATOM 0 HA MET A 668 -6.222 -12.231 -2.586 1.00 31.43 H new ATOM 0 HB2 MET A 668 -6.576 -10.022 -4.674 1.00 32.54 H new ATOM 0 HB3 MET A 668 -5.217 -10.202 -3.581 1.00 32.54 H new ATOM 0 HG2 MET A 668 -4.398 -10.901 -5.658 1.00 34.30 H new ATOM 0 HG3 MET A 668 -4.692 -12.392 -4.786 1.00 34.30 H new ATOM 0 HE1 MET A 668 -5.541 -13.395 -8.500 1.00 10.11 H new ATOM 0 HE2 MET A 668 -4.269 -12.280 -7.946 1.00 10.11 H new ATOM 0 HE3 MET A 668 -4.584 -13.785 -7.051 1.00 10.11 H new ATOM 1282 N ILE A 669 -6.933 -10.054 -1.333 1.00 23.12 N ATOM 1283 CA ILE A 669 -7.485 -9.002 -0.509 1.00 44.53 C ATOM 1284 C ILE A 669 -7.172 -7.658 -1.186 1.00 32.24 C ATOM 1285 O ILE A 669 -6.088 -7.483 -1.737 1.00 44.41 O ATOM 1286 CB ILE A 669 -6.890 -9.035 0.934 1.00 40.00 C ATOM 1287 CG1 ILE A 669 -7.161 -10.402 1.587 1.00 72.21 C ATOM 1288 CG2 ILE A 669 -7.467 -7.905 1.795 1.00 75.31 C ATOM 1289 CD1 ILE A 669 -6.564 -10.560 2.974 1.00 64.34 C ATOM 0 H ILE A 669 -6.009 -10.374 -1.044 1.00 23.12 H new ATOM 0 HA ILE A 669 -8.562 -9.142 -0.413 1.00 44.53 H new ATOM 0 HB ILE A 669 -5.813 -8.885 0.863 1.00 40.00 H new ATOM 0 HG12 ILE A 669 -8.238 -10.555 1.648 1.00 72.21 H new ATOM 0 HG13 ILE A 669 -6.764 -11.185 0.942 1.00 72.21 H new ATOM 0 HG21 ILE A 669 -7.035 -7.952 2.795 1.00 75.31 H new ATOM 0 HG22 ILE A 669 -7.227 -6.943 1.341 1.00 75.31 H new ATOM 0 HG23 ILE A 669 -8.549 -8.015 1.862 1.00 75.31 H new ATOM 0 HD11 ILE A 669 -6.801 -11.551 3.362 1.00 64.34 H new ATOM 0 HD12 ILE A 669 -5.482 -10.441 2.920 1.00 64.34 H new ATOM 0 HD13 ILE A 669 -6.980 -9.802 3.638 1.00 64.34 H new ATOM 1296 N GLN A 670 -8.116 -6.750 -1.193 1.00 42.32 N ATOM 1297 CA GLN A 670 -7.940 -5.454 -1.823 1.00 13.32 C ATOM 1298 C GLN A 670 -8.421 -4.334 -0.906 1.00 21.24 C ATOM 1299 O GLN A 670 -9.410 -4.477 -0.206 1.00 60.55 O ATOM 1300 CB GLN A 670 -8.660 -5.399 -3.191 1.00 21.42 C ATOM 1301 CG GLN A 670 -7.998 -6.242 -4.302 1.00 22.02 C ATOM 1302 CD GLN A 670 -8.833 -6.342 -5.572 1.00 24.12 C ATOM 1303 OE1 GLN A 670 -9.627 -5.329 -5.851 1.00 2.23 O flip ATOM 1304 NE2 GLN A 670 -8.761 -7.341 -6.302 1.00 52.21 N flip ATOM 0 H GLN A 670 -9.031 -6.883 -0.763 1.00 42.32 H new ATOM 0 HA GLN A 670 -6.874 -5.309 -2.001 1.00 13.32 H new ATOM 0 HB2 GLN A 670 -9.687 -5.738 -3.060 1.00 21.42 H new ATOM 0 HB3 GLN A 670 -8.707 -4.361 -3.520 1.00 21.42 H new ATOM 0 HG2 GLN A 670 -7.029 -5.807 -4.548 1.00 22.02 H new ATOM 0 HG3 GLN A 670 -7.810 -7.246 -3.921 1.00 22.02 H new ATOM 0 HE21 GLN A 670 -8.135 -8.108 -6.056 1.00 52.21 H new ATOM 0 HE22 GLN A 670 -9.327 -7.396 -7.149 1.00 52.21 H new ATOM 1312 N LEU A 671 -7.719 -3.235 -0.907 1.00 64.44 N ATOM 1313 CA LEU A 671 -8.090 -2.097 -0.083 1.00 33.10 C ATOM 1314 C LEU A 671 -8.364 -0.950 -1.022 1.00 32.40 C ATOM 1315 O LEU A 671 -7.519 -0.618 -1.854 1.00 63.24 O ATOM 1316 CB LEU A 671 -6.919 -1.738 0.888 1.00 64.52 C ATOM 1317 CG LEU A 671 -7.188 -0.746 2.076 1.00 42.42 C ATOM 1318 CD1 LEU A 671 -5.936 -0.569 2.908 1.00 1.23 C ATOM 1319 CD2 LEU A 671 -7.692 0.610 1.625 1.00 5.55 C ATOM 0 H LEU A 671 -6.880 -3.094 -1.470 1.00 64.44 H new ATOM 0 HA LEU A 671 -8.968 -2.318 0.524 1.00 33.10 H new ATOM 0 HB2 LEU A 671 -6.549 -2.670 1.316 1.00 64.52 H new ATOM 0 HB3 LEU A 671 -6.111 -1.320 0.288 1.00 64.52 H new ATOM 0 HG LEU A 671 -7.979 -1.198 2.675 1.00 42.42 H new ATOM 0 HD11 LEU A 671 -6.138 0.121 3.727 1.00 1.23 H new ATOM 0 HD12 LEU A 671 -5.629 -1.533 3.313 1.00 1.23 H new ATOM 0 HD13 LEU A 671 -5.138 -0.167 2.284 1.00 1.23 H new ATOM 0 HD21 LEU A 671 -7.857 1.245 2.496 1.00 5.55 H new ATOM 0 HD22 LEU A 671 -6.953 1.074 0.972 1.00 5.55 H new ATOM 0 HD23 LEU A 671 -8.629 0.488 1.082 1.00 5.55 H new ATOM 1327 N THR A 672 -9.527 -0.377 -0.910 1.00 30.32 N ATOM 1328 CA THR A 672 -9.912 0.727 -1.738 1.00 12.40 C ATOM 1329 C THR A 672 -9.979 1.985 -0.879 1.00 52.30 C ATOM 1330 O THR A 672 -10.591 1.976 0.182 1.00 11.35 O ATOM 1331 CB THR A 672 -11.316 0.477 -2.323 1.00 20.32 C ATOM 1332 OG1 THR A 672 -11.375 -0.849 -2.874 1.00 51.12 O ATOM 1333 CG2 THR A 672 -11.643 1.492 -3.415 1.00 54.33 C ATOM 0 H THR A 672 -10.238 -0.665 -0.238 1.00 30.32 H new ATOM 0 HA THR A 672 -9.187 0.841 -2.544 1.00 12.40 H new ATOM 0 HB THR A 672 -12.047 0.583 -1.521 1.00 20.32 H new ATOM 0 HG1 THR A 672 -12.268 -1.010 -3.245 1.00 51.12 H new ATOM 0 HG21 THR A 672 -12.639 1.293 -3.811 1.00 54.33 H new ATOM 0 HG22 THR A 672 -11.613 2.498 -2.997 1.00 54.33 H new ATOM 0 HG23 THR A 672 -10.911 1.411 -4.218 1.00 54.33 H new ATOM 1339 N TYR A 673 -9.325 3.030 -1.303 1.00 42.01 N ATOM 1340 CA TYR A 673 -9.420 4.301 -0.619 1.00 2.42 C ATOM 1341 C TYR A 673 -10.460 5.204 -1.255 1.00 21.53 C ATOM 1342 O TYR A 673 -11.161 4.799 -2.180 1.00 25.32 O ATOM 1343 CB TYR A 673 -8.071 4.996 -0.495 1.00 21.14 C ATOM 1344 CG TYR A 673 -7.233 4.497 0.645 1.00 11.34 C ATOM 1345 CD1 TYR A 673 -7.518 4.915 1.920 1.00 2.50 C ATOM 1346 CD2 TYR A 673 -6.175 3.613 0.466 1.00 13.12 C ATOM 1347 CE1 TYR A 673 -6.806 4.486 2.994 1.00 42.34 C ATOM 1348 CE2 TYR A 673 -5.437 3.173 1.556 1.00 2.53 C ATOM 1349 CZ TYR A 673 -5.774 3.620 2.822 1.00 61.01 C ATOM 1350 OH TYR A 673 -5.096 3.187 3.915 1.00 24.31 O ATOM 0 H TYR A 673 -8.717 3.032 -2.122 1.00 42.01 H new ATOM 0 HA TYR A 673 -9.753 4.084 0.396 1.00 2.42 H new ATOM 0 HB2 TYR A 673 -7.518 4.863 -1.425 1.00 21.14 H new ATOM 0 HB3 TYR A 673 -8.235 6.067 -0.371 1.00 21.14 H new ATOM 0 HD1 TYR A 673 -8.333 5.606 2.074 1.00 2.50 H new ATOM 0 HD2 TYR A 673 -5.926 3.267 -0.526 1.00 13.12 H new ATOM 0 HE1 TYR A 673 -7.060 4.833 3.984 1.00 42.34 H new ATOM 0 HE2 TYR A 673 -4.611 2.491 1.418 1.00 2.53 H new ATOM 0 HH TYR A 673 -4.148 3.083 3.692 1.00 24.31 H new ATOM 1360 N ARG A 674 -10.572 6.408 -0.739 1.00 2.35 N ATOM 1361 CA ARG A 674 -11.571 7.358 -1.194 1.00 11.52 C ATOM 1362 C ARG A 674 -11.122 8.144 -2.403 1.00 53.04 C ATOM 1363 O ARG A 674 -10.000 7.999 -2.868 1.00 32.21 O ATOM 1364 CB ARG A 674 -11.951 8.316 -0.079 1.00 1.44 C ATOM 1365 CG ARG A 674 -12.573 7.656 1.126 1.00 11.12 C ATOM 1366 CD ARG A 674 -13.855 6.924 0.758 1.00 65.54 C ATOM 1367 NE ARG A 674 -14.529 6.396 1.938 1.00 23.34 N ATOM 1368 CZ ARG A 674 -15.806 6.024 1.977 1.00 2.51 C ATOM 1369 NH1 ARG A 674 -16.544 6.027 0.870 1.00 12.13 N ATOM 1370 NH2 ARG A 674 -16.339 5.628 3.112 1.00 54.23 N ATOM 0 H ARG A 674 -9.974 6.759 0.009 1.00 2.35 H new ATOM 0 HA ARG A 674 -12.441 6.770 -1.487 1.00 11.52 H new ATOM 0 HB2 ARG A 674 -11.059 8.857 0.238 1.00 1.44 H new ATOM 0 HB3 ARG A 674 -12.648 9.055 -0.474 1.00 1.44 H new ATOM 0 HG2 ARG A 674 -11.864 6.954 1.564 1.00 11.12 H new ATOM 0 HG3 ARG A 674 -12.787 8.408 1.885 1.00 11.12 H new ATOM 0 HD2 ARG A 674 -14.524 7.603 0.230 1.00 65.54 H new ATOM 0 HD3 ARG A 674 -13.625 6.107 0.074 1.00 65.54 H new ATOM 0 HE ARG A 674 -13.983 6.305 2.795 1.00 23.34 H new ATOM 0 HH11 ARG A 674 -16.132 6.316 -0.017 1.00 12.13 H new ATOM 0 HH12 ARG A 674 -17.522 5.740 0.908 1.00 12.13 H new ATOM 0 HH21 ARG A 674 -15.774 5.606 3.961 1.00 54.23 H new ATOM 0 HH22 ARG A 674 -17.318 5.343 3.144 1.00 54.23 H new ATOM 1382 N ASP A 675 -12.028 8.991 -2.863 1.00 3.15 N ATOM 1383 CA ASP A 675 -11.874 9.873 -4.032 1.00 4.24 C ATOM 1384 C ASP A 675 -10.601 10.718 -3.950 1.00 3.31 C ATOM 1385 O ASP A 675 -9.934 10.948 -4.954 1.00 52.34 O ATOM 1386 CB ASP A 675 -13.105 10.821 -4.108 1.00 62.01 C ATOM 1387 CG ASP A 675 -13.198 11.797 -2.935 1.00 63.51 C ATOM 1388 OD1 ASP A 675 -13.084 11.356 -1.768 1.00 53.44 O ATOM 1389 OD2 ASP A 675 -13.400 13.013 -3.155 1.00 63.13 O ATOM 0 H ASP A 675 -12.939 9.095 -2.417 1.00 3.15 H new ATOM 0 HA ASP A 675 -11.803 9.247 -4.921 1.00 4.24 H new ATOM 0 HB2 ASP A 675 -13.060 11.387 -5.038 1.00 62.01 H new ATOM 0 HB3 ASP A 675 -14.014 10.221 -4.143 1.00 62.01 H new ATOM 1394 N GLY A 676 -10.293 11.177 -2.755 1.00 25.14 N ATOM 1395 CA GLY A 676 -9.108 11.970 -2.527 1.00 65.30 C ATOM 1396 C GLY A 676 -9.121 13.256 -3.325 1.00 63.51 C ATOM 1397 O GLY A 676 -9.932 14.147 -3.079 1.00 61.43 O ATOM 0 H GLY A 676 -10.855 11.011 -1.920 1.00 25.14 H new ATOM 0 HA2 GLY A 676 -9.027 12.204 -1.465 1.00 65.30 H new ATOM 0 HA3 GLY A 676 -8.226 11.388 -2.793 1.00 65.30 H new ATOM 1401 N THR A 677 -8.242 13.341 -4.273 1.00 4.23 N ATOM 1402 CA THR A 677 -8.136 14.469 -5.135 1.00 63.32 C ATOM 1403 C THR A 677 -8.157 13.982 -6.582 1.00 30.33 C ATOM 1404 O THR A 677 -7.483 13.023 -6.903 1.00 72.11 O ATOM 1405 CB THR A 677 -6.830 15.252 -4.837 1.00 73.03 C ATOM 1406 OG1 THR A 677 -6.901 15.816 -3.513 1.00 43.30 O ATOM 1407 CG2 THR A 677 -6.558 16.360 -5.857 1.00 43.43 C ATOM 0 H THR A 677 -7.562 12.607 -4.472 1.00 4.23 H new ATOM 0 HA THR A 677 -8.975 15.144 -4.968 1.00 63.32 H new ATOM 0 HB THR A 677 -6.004 14.544 -4.907 1.00 73.03 H new ATOM 0 HG1 THR A 677 -6.076 16.309 -3.323 1.00 43.30 H new ATOM 0 HG21 THR A 677 -5.632 16.874 -5.598 1.00 43.43 H new ATOM 0 HG22 THR A 677 -6.465 15.924 -6.852 1.00 43.43 H new ATOM 0 HG23 THR A 677 -7.383 17.073 -5.849 1.00 43.43 H new ATOM 1413 N PRO A 678 -8.956 14.599 -7.463 1.00 60.40 N ATOM 1414 CA PRO A 678 -9.009 14.229 -8.862 1.00 71.33 C ATOM 1415 C PRO A 678 -7.752 14.663 -9.599 1.00 13.51 C ATOM 1416 O PRO A 678 -7.033 15.549 -9.136 1.00 50.55 O ATOM 1417 CB PRO A 678 -10.240 14.946 -9.383 1.00 62.13 C ATOM 1418 CG PRO A 678 -10.285 16.175 -8.559 1.00 71.20 C ATOM 1419 CD PRO A 678 -9.878 15.722 -7.178 1.00 62.32 C ATOM 0 HA PRO A 678 -9.064 13.150 -9.009 1.00 71.33 H new ATOM 0 HB2 PRO A 678 -10.154 15.175 -10.445 1.00 62.13 H new ATOM 0 HB3 PRO A 678 -11.140 14.344 -9.259 1.00 62.13 H new ATOM 0 HG2 PRO A 678 -9.605 16.935 -8.943 1.00 71.20 H new ATOM 0 HG3 PRO A 678 -11.283 16.613 -8.555 1.00 71.20 H new ATOM 0 HD2 PRO A 678 -9.386 16.518 -6.619 1.00 62.32 H new ATOM 0 HD3 PRO A 678 -10.736 15.402 -6.588 1.00 62.32 H new ATOM 1427 N TYR A 679 -7.454 13.973 -10.690 1.00 14.31 N ATOM 1428 CA TYR A 679 -6.260 14.241 -11.497 1.00 73.43 C ATOM 1429 C TYR A 679 -6.092 15.712 -11.830 1.00 4.33 C ATOM 1430 O TYR A 679 -5.212 16.363 -11.275 1.00 32.43 O ATOM 1431 CB TYR A 679 -6.253 13.406 -12.785 1.00 54.35 C ATOM 1432 CG TYR A 679 -6.222 11.933 -12.531 1.00 11.35 C ATOM 1433 CD1 TYR A 679 -5.028 11.279 -12.309 1.00 24.23 C ATOM 1434 CD2 TYR A 679 -7.388 11.196 -12.493 1.00 62.31 C ATOM 1435 CE1 TYR A 679 -4.999 9.931 -12.058 1.00 30.32 C ATOM 1436 CE2 TYR A 679 -7.366 9.851 -12.237 1.00 74.40 C ATOM 1437 CZ TYR A 679 -6.171 9.225 -12.021 1.00 24.10 C ATOM 1438 OH TYR A 679 -6.145 7.894 -11.761 1.00 73.53 O ATOM 0 H TYR A 679 -8.030 13.210 -11.046 1.00 14.31 H new ATOM 0 HA TYR A 679 -5.411 13.947 -10.880 1.00 73.43 H new ATOM 0 HB2 TYR A 679 -7.139 13.648 -13.372 1.00 54.35 H new ATOM 0 HB3 TYR A 679 -5.387 13.683 -13.385 1.00 54.35 H new ATOM 0 HD1 TYR A 679 -4.103 11.836 -12.333 1.00 24.23 H new ATOM 0 HD2 TYR A 679 -8.333 11.688 -12.668 1.00 62.31 H new ATOM 0 HE1 TYR A 679 -4.057 9.430 -11.891 1.00 30.32 H new ATOM 0 HE2 TYR A 679 -8.287 9.289 -12.206 1.00 74.40 H new ATOM 0 HH TYR A 679 -5.558 7.722 -10.995 1.00 73.53 H new ATOM 1533 N THR A 685 -12.015 13.232 -12.296 1.00 53.51 N ATOM 1534 CA THR A 685 -11.843 11.861 -11.969 1.00 35.44 C ATOM 1535 C THR A 685 -10.966 11.739 -10.736 1.00 54.13 C ATOM 1536 O THR A 685 -9.792 12.130 -10.767 1.00 34.22 O ATOM 1537 CB THR A 685 -11.200 11.106 -13.137 1.00 43.13 C ATOM 1538 OG1 THR A 685 -12.060 11.174 -14.288 1.00 35.42 O ATOM 1539 CG2 THR A 685 -10.938 9.671 -12.757 1.00 53.15 C ATOM 0 HA THR A 685 -12.821 11.423 -11.768 1.00 35.44 H new ATOM 0 HB THR A 685 -10.245 11.572 -13.379 1.00 43.13 H new ATOM 0 HG1 THR A 685 -12.575 12.007 -14.263 1.00 35.42 H new ATOM 0 HG21 THR A 685 -10.481 9.149 -13.598 1.00 53.15 H new ATOM 0 HG22 THR A 685 -10.264 9.639 -11.901 1.00 53.15 H new ATOM 0 HG23 THR A 685 -11.879 9.186 -12.497 1.00 53.15 H new ATOM 1545 N PRO A 686 -11.517 11.215 -9.643 1.00 25.44 N ATOM 1546 CA PRO A 686 -10.791 11.068 -8.390 1.00 30.41 C ATOM 1547 C PRO A 686 -9.652 10.065 -8.501 1.00 22.12 C ATOM 1548 O PRO A 686 -9.775 9.039 -9.187 1.00 74.32 O ATOM 1549 CB PRO A 686 -11.848 10.543 -7.421 1.00 52.25 C ATOM 1550 CG PRO A 686 -12.900 9.932 -8.270 1.00 73.53 C ATOM 1551 CD PRO A 686 -12.904 10.706 -9.543 1.00 11.11 C ATOM 0 HA PRO A 686 -10.331 12.006 -8.079 1.00 30.41 H new ATOM 0 HB2 PRO A 686 -11.422 9.810 -6.736 1.00 52.25 H new ATOM 0 HB3 PRO A 686 -12.256 11.349 -6.811 1.00 52.25 H new ATOM 0 HG2 PRO A 686 -12.689 8.879 -8.455 1.00 73.53 H new ATOM 0 HG3 PRO A 686 -13.873 9.981 -7.781 1.00 73.53 H new ATOM 0 HD2 PRO A 686 -13.163 10.077 -10.394 1.00 11.11 H new ATOM 0 HD3 PRO A 686 -13.629 11.519 -9.516 1.00 11.11 H new ATOM 1559 N ARG A 687 -8.550 10.369 -7.865 1.00 43.34 N ATOM 1560 CA ARG A 687 -7.431 9.466 -7.818 1.00 32.22 C ATOM 1561 C ARG A 687 -7.655 8.562 -6.639 1.00 64.14 C ATOM 1562 O ARG A 687 -7.745 9.043 -5.516 1.00 32.03 O ATOM 1563 CB ARG A 687 -6.121 10.228 -7.598 1.00 23.30 C ATOM 1564 CG ARG A 687 -5.791 11.283 -8.637 1.00 33.33 C ATOM 1565 CD ARG A 687 -4.464 11.943 -8.313 1.00 54.54 C ATOM 1566 NE ARG A 687 -4.172 13.101 -9.175 1.00 4.12 N ATOM 1567 CZ ARG A 687 -3.017 13.290 -9.840 1.00 11.21 C ATOM 1568 NH1 ARG A 687 -2.128 12.297 -9.937 1.00 34.31 N ATOM 1569 NH2 ARG A 687 -2.787 14.451 -10.460 1.00 1.13 N ATOM 0 H ARG A 687 -8.404 11.247 -7.367 1.00 43.34 H new ATOM 0 HA ARG A 687 -7.356 8.917 -8.757 1.00 32.22 H new ATOM 0 HB2 ARG A 687 -6.161 10.708 -6.620 1.00 23.30 H new ATOM 0 HB3 ARG A 687 -5.304 9.507 -7.566 1.00 23.30 H new ATOM 0 HG2 ARG A 687 -5.747 10.828 -9.626 1.00 33.33 H new ATOM 0 HG3 ARG A 687 -6.581 12.034 -8.667 1.00 33.33 H new ATOM 0 HD2 ARG A 687 -4.469 12.264 -7.271 1.00 54.54 H new ATOM 0 HD3 ARG A 687 -3.665 11.209 -8.416 1.00 54.54 H new ATOM 0 HE ARG A 687 -4.897 13.811 -9.275 1.00 4.12 H new ATOM 0 HH11 ARG A 687 -2.324 11.393 -9.507 1.00 34.31 H new ATOM 0 HH12 ARG A 687 -1.254 12.443 -10.441 1.00 34.31 H new ATOM 0 HH21 ARG A 687 -3.486 15.193 -10.429 1.00 1.13 H new ATOM 0 HH22 ARG A 687 -1.912 14.595 -10.964 1.00 1.13 H new ATOM 1581 N ALA A 688 -7.734 7.285 -6.861 1.00 3.10 N ATOM 1582 CA ALA A 688 -8.004 6.399 -5.762 1.00 2.24 C ATOM 1583 C ALA A 688 -6.979 5.324 -5.735 1.00 61.33 C ATOM 1584 O ALA A 688 -6.352 5.057 -6.740 1.00 60.41 O ATOM 1585 CB ALA A 688 -9.398 5.808 -5.883 1.00 55.50 C ATOM 0 H ALA A 688 -7.619 6.837 -7.770 1.00 3.10 H new ATOM 0 HA ALA A 688 -7.959 6.960 -4.828 1.00 2.24 H new ATOM 0 HB1 ALA A 688 -9.584 5.140 -5.042 1.00 55.50 H new ATOM 0 HB2 ALA A 688 -10.135 6.611 -5.879 1.00 55.50 H new ATOM 0 HB3 ALA A 688 -9.476 5.248 -6.815 1.00 55.50 H new ATOM 1591 N THR A 689 -6.791 4.729 -4.600 1.00 22.24 N ATOM 1592 CA THR A 689 -5.805 3.704 -4.432 1.00 74.32 C ATOM 1593 C THR A 689 -6.468 2.368 -4.149 1.00 5.11 C ATOM 1594 O THR A 689 -7.397 2.278 -3.334 1.00 44.40 O ATOM 1595 CB THR A 689 -4.841 4.074 -3.285 1.00 32.32 C ATOM 1596 OG1 THR A 689 -4.213 5.311 -3.594 1.00 42.14 O ATOM 1597 CG2 THR A 689 -3.774 3.011 -3.077 1.00 15.24 C ATOM 0 H THR A 689 -7.321 4.941 -3.755 1.00 22.24 H new ATOM 0 HA THR A 689 -5.235 3.618 -5.357 1.00 74.32 H new ATOM 0 HB THR A 689 -5.421 4.151 -2.365 1.00 32.32 H new ATOM 0 HG1 THR A 689 -4.835 6.047 -3.417 1.00 42.14 H new ATOM 0 HG21 THR A 689 -3.116 3.310 -2.261 1.00 15.24 H new ATOM 0 HG22 THR A 689 -4.249 2.062 -2.830 1.00 15.24 H new ATOM 0 HG23 THR A 689 -3.190 2.898 -3.990 1.00 15.24 H new ATOM 1603 N LEU A 690 -6.009 1.357 -4.845 1.00 51.33 N ATOM 1604 CA LEU A 690 -6.460 0.022 -4.674 1.00 52.13 C ATOM 1605 C LEU A 690 -5.218 -0.818 -4.437 1.00 71.12 C ATOM 1606 O LEU A 690 -4.359 -0.938 -5.310 1.00 22.43 O ATOM 1607 CB LEU A 690 -7.219 -0.441 -5.953 1.00 72.12 C ATOM 1608 CG LEU A 690 -8.020 -1.777 -5.921 1.00 65.10 C ATOM 1609 CD1 LEU A 690 -7.150 -2.989 -5.661 1.00 70.23 C ATOM 1610 CD2 LEU A 690 -9.140 -1.704 -4.914 1.00 52.41 C ATOM 0 H LEU A 690 -5.291 1.456 -5.563 1.00 51.33 H new ATOM 0 HA LEU A 690 -7.151 -0.074 -3.837 1.00 52.13 H new ATOM 0 HB2 LEU A 690 -7.915 0.352 -6.226 1.00 72.12 H new ATOM 0 HB3 LEU A 690 -6.489 -0.516 -6.759 1.00 72.12 H new ATOM 0 HG LEU A 690 -8.441 -1.906 -6.918 1.00 65.10 H new ATOM 0 HD11 LEU A 690 -7.769 -3.886 -5.651 1.00 70.23 H new ATOM 0 HD12 LEU A 690 -6.400 -3.074 -6.448 1.00 70.23 H new ATOM 0 HD13 LEU A 690 -6.654 -2.880 -4.697 1.00 70.23 H new ATOM 0 HD21 LEU A 690 -9.686 -2.647 -4.908 1.00 52.41 H new ATOM 0 HD22 LEU A 690 -8.727 -1.518 -3.923 1.00 52.41 H new ATOM 0 HD23 LEU A 690 -9.818 -0.894 -5.182 1.00 52.41 H new ATOM 1618 N ILE A 691 -5.108 -1.374 -3.282 1.00 24.42 N ATOM 1619 CA ILE A 691 -3.967 -2.191 -2.964 1.00 53.42 C ATOM 1620 C ILE A 691 -4.389 -3.640 -3.060 1.00 31.41 C ATOM 1621 O ILE A 691 -5.408 -4.015 -2.495 1.00 33.12 O ATOM 1622 CB ILE A 691 -3.444 -1.893 -1.534 1.00 5.11 C ATOM 1623 CG1 ILE A 691 -3.154 -0.389 -1.375 1.00 63.14 C ATOM 1624 CG2 ILE A 691 -2.180 -2.703 -1.256 1.00 11.44 C ATOM 1625 CD1 ILE A 691 -2.696 0.016 0.016 1.00 41.42 C ATOM 0 H ILE A 691 -5.793 -1.283 -2.531 1.00 24.42 H new ATOM 0 HA ILE A 691 -3.160 -1.973 -3.664 1.00 53.42 H new ATOM 0 HB ILE A 691 -4.211 -2.180 -0.815 1.00 5.11 H new ATOM 0 HG12 ILE A 691 -2.388 -0.100 -2.095 1.00 63.14 H new ATOM 0 HG13 ILE A 691 -4.055 0.171 -1.626 1.00 63.14 H new ATOM 0 HG21 ILE A 691 -1.822 -2.485 -0.250 1.00 11.44 H new ATOM 0 HG22 ILE A 691 -2.404 -3.767 -1.340 1.00 11.44 H new ATOM 0 HG23 ILE A 691 -1.410 -2.436 -1.980 1.00 11.44 H new ATOM 0 HD11 ILE A 691 -2.514 1.090 0.041 1.00 41.42 H new ATOM 0 HD12 ILE A 691 -3.469 -0.238 0.742 1.00 41.42 H new ATOM 0 HD13 ILE A 691 -1.776 -0.514 0.265 1.00 41.42 H new ATOM 1632 N THR A 692 -3.656 -4.426 -3.804 1.00 75.02 N ATOM 1633 CA THR A 692 -3.971 -5.803 -3.979 1.00 20.43 C ATOM 1634 C THR A 692 -2.949 -6.629 -3.216 1.00 35.15 C ATOM 1635 O THR A 692 -1.745 -6.573 -3.492 1.00 32.04 O ATOM 1636 CB THR A 692 -3.922 -6.137 -5.456 1.00 41.43 C ATOM 1637 OG1 THR A 692 -4.721 -5.164 -6.160 1.00 23.12 O ATOM 1638 CG2 THR A 692 -4.479 -7.524 -5.731 1.00 53.24 C ATOM 0 H THR A 692 -2.822 -4.119 -4.304 1.00 75.02 H new ATOM 0 HA THR A 692 -4.970 -6.022 -3.602 1.00 20.43 H new ATOM 0 HB THR A 692 -2.884 -6.118 -5.789 1.00 41.43 H new ATOM 0 HG1 THR A 692 -4.703 -5.359 -7.120 1.00 23.12 H new ATOM 0 HG21 THR A 692 -4.429 -7.731 -6.800 1.00 53.24 H new ATOM 0 HG22 THR A 692 -3.892 -8.266 -5.190 1.00 53.24 H new ATOM 0 HG23 THR A 692 -5.517 -7.571 -5.401 1.00 53.24 H new ATOM 1644 N PHE A 693 -3.424 -7.352 -2.270 1.00 23.30 N ATOM 1645 CA PHE A 693 -2.602 -8.112 -1.383 1.00 13.33 C ATOM 1646 C PHE A 693 -2.450 -9.525 -1.872 1.00 51.02 C ATOM 1647 O PHE A 693 -3.438 -10.206 -2.156 1.00 3.45 O ATOM 1648 CB PHE A 693 -3.230 -8.115 -0.011 1.00 1.22 C ATOM 1649 CG PHE A 693 -3.353 -6.741 0.625 1.00 24.31 C ATOM 1650 CD1 PHE A 693 -4.318 -5.845 0.203 1.00 31.05 C ATOM 1651 CD2 PHE A 693 -2.513 -6.364 1.652 1.00 72.41 C ATOM 1652 CE1 PHE A 693 -4.442 -4.614 0.788 1.00 10.12 C ATOM 1653 CE2 PHE A 693 -2.631 -5.126 2.240 1.00 72.52 C ATOM 1654 CZ PHE A 693 -3.597 -4.255 1.807 1.00 4.11 C ATOM 0 H PHE A 693 -4.422 -7.439 -2.080 1.00 23.30 H new ATOM 0 HA PHE A 693 -1.613 -7.656 -1.342 1.00 13.33 H new ATOM 0 HB2 PHE A 693 -4.222 -8.560 -0.080 1.00 1.22 H new ATOM 0 HB3 PHE A 693 -2.639 -8.754 0.645 1.00 1.22 H new ATOM 0 HD1 PHE A 693 -4.984 -6.121 -0.601 1.00 31.05 H new ATOM 0 HD2 PHE A 693 -1.753 -7.049 1.999 1.00 72.41 H new ATOM 0 HE1 PHE A 693 -5.203 -3.927 0.448 1.00 10.12 H new ATOM 0 HE2 PHE A 693 -1.964 -4.841 3.041 1.00 72.52 H new ATOM 0 HZ PHE A 693 -3.693 -3.284 2.269 1.00 4.11 H new ATOM 1664 N LEU A 694 -1.232 -9.953 -1.967 1.00 24.20 N ATOM 1665 CA LEU A 694 -0.899 -11.275 -2.403 1.00 21.11 C ATOM 1666 C LEU A 694 -0.145 -11.939 -1.284 1.00 40.32 C ATOM 1667 O LEU A 694 0.270 -11.274 -0.324 1.00 75.32 O ATOM 1668 CB LEU A 694 0.019 -11.226 -3.633 1.00 54.32 C ATOM 1669 CG LEU A 694 -0.418 -10.328 -4.790 1.00 11.12 C ATOM 1670 CD1 LEU A 694 0.551 -10.429 -5.946 1.00 41.51 C ATOM 1671 CD2 LEU A 694 -1.830 -10.623 -5.249 1.00 22.22 C ATOM 0 H LEU A 694 -0.420 -9.380 -1.738 1.00 24.20 H new ATOM 0 HA LEU A 694 -1.809 -11.815 -2.663 1.00 21.11 H new ATOM 0 HB2 LEU A 694 1.006 -10.900 -3.306 1.00 54.32 H new ATOM 0 HB3 LEU A 694 0.128 -12.241 -4.015 1.00 54.32 H new ATOM 0 HG LEU A 694 -0.411 -9.304 -4.415 1.00 11.12 H new ATOM 0 HD11 LEU A 694 0.219 -9.781 -6.757 1.00 41.51 H new ATOM 0 HD12 LEU A 694 1.543 -10.119 -5.617 1.00 41.51 H new ATOM 0 HD13 LEU A 694 0.591 -11.460 -6.298 1.00 41.51 H new ATOM 0 HD21 LEU A 694 -2.091 -9.958 -6.072 1.00 22.22 H new ATOM 0 HD22 LEU A 694 -1.895 -11.658 -5.584 1.00 22.22 H new ATOM 0 HD23 LEU A 694 -2.522 -10.465 -4.422 1.00 22.22 H new ATOM 1679 N CYS A 695 0.057 -13.205 -1.404 1.00 73.34 N ATOM 1680 CA CYS A 695 0.801 -13.938 -0.417 1.00 44.33 C ATOM 1681 C CYS A 695 2.280 -13.767 -0.724 1.00 32.31 C ATOM 1682 O CYS A 695 2.686 -13.858 -1.897 1.00 42.14 O ATOM 1683 CB CYS A 695 0.417 -15.417 -0.444 1.00 2.12 C ATOM 1684 SG CYS A 695 1.247 -16.413 0.833 1.00 60.34 S ATOM 0 H CYS A 695 -0.284 -13.768 -2.183 1.00 73.34 H new ATOM 0 HA CYS A 695 0.577 -13.558 0.580 1.00 44.33 H new ATOM 0 HB2 CYS A 695 -0.662 -15.505 -0.317 1.00 2.12 H new ATOM 0 HB3 CYS A 695 0.657 -15.827 -1.425 1.00 2.12 H new ATOM 1745 N GLY A 700 6.915 -10.679 4.477 1.00 2.33 N ATOM 1746 CA GLY A 700 6.492 -10.760 5.855 1.00 71.31 C ATOM 1747 C GLY A 700 5.304 -9.866 6.099 1.00 13.11 C ATOM 1748 O GLY A 700 4.161 -10.260 5.837 1.00 60.42 O ATOM 0 HA2 GLY A 700 6.235 -11.790 6.102 1.00 71.31 H new ATOM 0 HA3 GLY A 700 7.313 -10.470 6.511 1.00 71.31 H new ATOM 1752 N VAL A 701 5.559 -8.654 6.573 1.00 61.53 N ATOM 1753 CA VAL A 701 4.495 -7.692 6.782 1.00 34.03 C ATOM 1754 C VAL A 701 4.069 -7.150 5.425 1.00 33.31 C ATOM 1755 O VAL A 701 2.884 -6.902 5.167 1.00 70.40 O ATOM 1756 CB VAL A 701 4.899 -6.535 7.762 1.00 61.32 C ATOM 1757 CG1 VAL A 701 6.001 -5.634 7.219 1.00 60.53 C ATOM 1758 CG2 VAL A 701 3.695 -5.731 8.214 1.00 22.11 C ATOM 0 H VAL A 701 6.490 -8.318 6.818 1.00 61.53 H new ATOM 0 HA VAL A 701 3.659 -8.197 7.265 1.00 34.03 H new ATOM 0 HB VAL A 701 5.320 -7.028 8.638 1.00 61.32 H new ATOM 0 HG11 VAL A 701 6.229 -4.857 7.949 1.00 60.53 H new ATOM 0 HG12 VAL A 701 6.896 -6.227 7.029 1.00 60.53 H new ATOM 0 HG13 VAL A 701 5.668 -5.172 6.290 1.00 60.53 H new ATOM 0 HG21 VAL A 701 4.019 -4.940 8.891 1.00 22.11 H new ATOM 0 HG22 VAL A 701 3.207 -5.288 7.346 1.00 22.11 H new ATOM 0 HG23 VAL A 701 2.993 -6.386 8.730 1.00 22.11 H new ATOM 1764 N GLY A 702 5.039 -7.001 4.558 1.00 52.12 N ATOM 1765 CA GLY A 702 4.767 -6.639 3.224 1.00 22.53 C ATOM 1766 C GLY A 702 5.471 -5.410 2.760 1.00 54.20 C ATOM 1767 O GLY A 702 5.669 -4.461 3.512 1.00 43.24 O ATOM 0 H GLY A 702 6.028 -7.130 4.773 1.00 52.12 H new ATOM 0 HA2 GLY A 702 5.043 -7.468 2.573 1.00 22.53 H new ATOM 0 HA3 GLY A 702 3.693 -6.491 3.113 1.00 22.53 H new ATOM 1771 N PHE A 703 5.873 -5.457 1.533 1.00 42.24 N ATOM 1772 CA PHE A 703 6.467 -4.340 0.838 1.00 1.13 C ATOM 1773 C PHE A 703 5.608 -4.037 -0.390 1.00 13.44 C ATOM 1774 O PHE A 703 5.519 -4.869 -1.305 1.00 40.04 O ATOM 1775 CB PHE A 703 7.902 -4.659 0.375 1.00 41.20 C ATOM 1776 CG PHE A 703 8.888 -4.959 1.474 1.00 21.01 C ATOM 1777 CD1 PHE A 703 9.539 -3.932 2.133 1.00 71.52 C ATOM 1778 CD2 PHE A 703 9.173 -6.266 1.833 1.00 71.34 C ATOM 1779 CE1 PHE A 703 10.454 -4.199 3.129 1.00 23.12 C ATOM 1780 CE2 PHE A 703 10.089 -6.539 2.829 1.00 64.40 C ATOM 1781 CZ PHE A 703 10.730 -5.504 3.478 1.00 75.43 C ATOM 0 H PHE A 703 5.799 -6.297 0.959 1.00 42.24 H new ATOM 0 HA PHE A 703 6.513 -3.487 1.516 1.00 1.13 H new ATOM 0 HB2 PHE A 703 7.865 -5.514 -0.300 1.00 41.20 H new ATOM 0 HB3 PHE A 703 8.275 -3.813 -0.203 1.00 41.20 H new ATOM 0 HD1 PHE A 703 9.328 -2.908 1.864 1.00 71.52 H new ATOM 0 HD2 PHE A 703 8.673 -7.080 1.329 1.00 71.34 H new ATOM 0 HE1 PHE A 703 10.954 -3.387 3.635 1.00 23.12 H new ATOM 0 HE2 PHE A 703 10.304 -7.562 3.100 1.00 64.40 H new ATOM 0 HZ PHE A 703 11.447 -5.716 4.258 1.00 75.43 H new ATOM 1791 N PRO A 704 4.931 -2.888 -0.420 1.00 34.30 N ATOM 1792 CA PRO A 704 4.092 -2.504 -1.557 1.00 62.04 C ATOM 1793 C PRO A 704 4.913 -2.130 -2.797 1.00 53.14 C ATOM 1794 O PRO A 704 5.989 -1.553 -2.691 1.00 42.23 O ATOM 1795 CB PRO A 704 3.330 -1.282 -1.042 1.00 31.54 C ATOM 1796 CG PRO A 704 4.202 -0.713 0.021 1.00 62.33 C ATOM 1797 CD PRO A 704 4.905 -1.879 0.654 1.00 51.41 C ATOM 0 HA PRO A 704 3.450 -3.325 -1.877 1.00 62.04 H new ATOM 0 HB2 PRO A 704 3.155 -0.560 -1.839 1.00 31.54 H new ATOM 0 HB3 PRO A 704 2.354 -1.562 -0.646 1.00 31.54 H new ATOM 0 HG2 PRO A 704 4.919 -0.008 -0.400 1.00 62.33 H new ATOM 0 HG3 PRO A 704 3.612 -0.167 0.758 1.00 62.33 H new ATOM 0 HD2 PRO A 704 5.911 -1.613 0.980 1.00 51.41 H new ATOM 0 HD3 PRO A 704 4.371 -2.241 1.532 1.00 51.41 H new ATOM 1805 N GLU A 705 4.403 -2.477 -3.941 1.00 3.13 N ATOM 1806 CA GLU A 705 5.018 -2.155 -5.216 1.00 63.43 C ATOM 1807 C GLU A 705 4.010 -1.329 -5.995 1.00 25.24 C ATOM 1808 O GLU A 705 2.816 -1.649 -5.970 1.00 2.23 O ATOM 1809 CB GLU A 705 5.284 -3.457 -6.005 1.00 32.22 C ATOM 1810 CG GLU A 705 6.052 -3.287 -7.316 1.00 40.23 C ATOM 1811 CD GLU A 705 7.499 -2.859 -7.131 1.00 74.22 C ATOM 1812 OE1 GLU A 705 7.775 -1.654 -6.996 1.00 0.34 O ATOM 1813 OE2 GLU A 705 8.391 -3.747 -7.126 1.00 32.40 O ATOM 0 H GLU A 705 3.532 -3.002 -4.027 1.00 3.13 H new ATOM 0 HA GLU A 705 5.957 -1.622 -5.067 1.00 63.43 H new ATOM 0 HB2 GLU A 705 5.840 -4.142 -5.365 1.00 32.22 H new ATOM 0 HB3 GLU A 705 4.327 -3.931 -6.224 1.00 32.22 H new ATOM 0 HG2 GLU A 705 6.029 -4.229 -7.864 1.00 40.23 H new ATOM 0 HG3 GLU A 705 5.541 -2.547 -7.932 1.00 40.23 H new ATOM 1820 N TYR A 706 4.440 -0.279 -6.641 1.00 73.54 N ATOM 1821 CA TYR A 706 3.539 0.469 -7.466 1.00 42.01 C ATOM 1822 C TYR A 706 3.514 -0.135 -8.835 1.00 35.55 C ATOM 1823 O TYR A 706 4.537 -0.140 -9.534 1.00 52.12 O ATOM 1824 CB TYR A 706 3.889 1.964 -7.524 1.00 65.20 C ATOM 1825 CG TYR A 706 3.009 2.743 -8.480 1.00 33.02 C ATOM 1826 CD1 TYR A 706 1.636 2.835 -8.283 1.00 44.11 C ATOM 1827 CD2 TYR A 706 3.554 3.389 -9.580 1.00 10.10 C ATOM 1828 CE1 TYR A 706 0.842 3.541 -9.145 1.00 15.45 C ATOM 1829 CE2 TYR A 706 2.765 4.098 -10.446 1.00 53.12 C ATOM 1830 CZ TYR A 706 1.418 4.174 -10.227 1.00 34.33 C ATOM 1831 OH TYR A 706 0.644 4.884 -11.091 1.00 60.20 O ATOM 0 H TYR A 706 5.397 0.072 -6.612 1.00 73.54 H new ATOM 0 HA TYR A 706 2.546 0.413 -7.021 1.00 42.01 H new ATOM 0 HB2 TYR A 706 3.798 2.391 -6.525 1.00 65.20 H new ATOM 0 HB3 TYR A 706 4.931 2.076 -7.825 1.00 65.20 H new ATOM 0 HD1 TYR A 706 1.188 2.340 -7.434 1.00 44.11 H new ATOM 0 HD2 TYR A 706 4.618 3.332 -9.756 1.00 10.10 H new ATOM 0 HE1 TYR A 706 -0.224 3.602 -8.980 1.00 15.45 H new ATOM 0 HE2 TYR A 706 3.205 4.595 -11.298 1.00 53.12 H new ATOM 0 HH TYR A 706 1.207 5.267 -11.796 1.00 60.20 H new ATOM 1841 N GLN A 707 2.368 -0.670 -9.220 1.00 73.25 N ATOM 1842 CA GLN A 707 2.256 -1.287 -10.512 1.00 24.40 C ATOM 1843 C GLN A 707 2.229 -0.195 -11.557 1.00 13.31 C ATOM 1844 O GLN A 707 3.247 0.095 -12.170 1.00 44.14 O ATOM 1845 CB GLN A 707 1.006 -2.184 -10.616 1.00 15.55 C ATOM 1846 CG GLN A 707 0.856 -3.188 -9.475 1.00 31.21 C ATOM 1847 CD GLN A 707 2.102 -4.017 -9.236 1.00 11.43 C ATOM 1848 OE1 GLN A 707 2.955 -3.640 -8.460 1.00 54.01 O ATOM 1849 NE2 GLN A 707 2.208 -5.142 -9.878 1.00 51.24 N ATOM 0 H GLN A 707 1.517 -0.686 -8.658 1.00 73.25 H new ATOM 0 HA GLN A 707 3.114 -1.939 -10.673 1.00 24.40 H new ATOM 0 HB2 GLN A 707 0.120 -1.550 -10.645 1.00 15.55 H new ATOM 0 HB3 GLN A 707 1.041 -2.727 -11.560 1.00 15.55 H new ATOM 0 HG2 GLN A 707 0.604 -2.652 -8.560 1.00 31.21 H new ATOM 0 HG3 GLN A 707 0.022 -3.854 -9.694 1.00 31.21 H new ATOM 0 HE21 GLN A 707 1.474 -5.432 -10.524 1.00 51.24 H new ATOM 0 HE22 GLN A 707 3.025 -5.735 -9.736 1.00 51.24 H new ATOM 1857 N GLU A 708 1.068 0.437 -11.708 1.00 65.34 N ATOM 1858 CA GLU A 708 0.872 1.583 -12.586 1.00 42.32 C ATOM 1859 C GLU A 708 -0.592 1.942 -12.649 1.00 52.42 C ATOM 1860 O GLU A 708 -1.469 1.064 -12.592 1.00 24.32 O ATOM 1861 CB GLU A 708 1.429 1.363 -14.005 1.00 45.25 C ATOM 1862 CG GLU A 708 0.830 0.205 -14.765 1.00 32.42 C ATOM 1863 CD GLU A 708 1.512 0.014 -16.079 1.00 64.55 C ATOM 1864 OE1 GLU A 708 1.130 0.683 -17.060 1.00 11.30 O ATOM 1865 OE2 GLU A 708 2.466 -0.802 -16.156 1.00 5.23 O ATOM 0 H GLU A 708 0.221 0.160 -11.212 1.00 65.34 H new ATOM 0 HA GLU A 708 1.438 2.409 -12.156 1.00 42.32 H new ATOM 0 HB2 GLU A 708 1.273 2.274 -14.583 1.00 45.25 H new ATOM 0 HB3 GLU A 708 2.506 1.211 -13.934 1.00 45.25 H new ATOM 0 HG2 GLU A 708 0.915 -0.706 -14.172 1.00 32.42 H new ATOM 0 HG3 GLU A 708 -0.233 0.383 -14.926 1.00 32.42 H new ATOM 1872 N GLU A 709 -0.849 3.204 -12.678 1.00 1.44 N ATOM 1873 CA GLU A 709 -2.177 3.717 -12.834 1.00 33.22 C ATOM 1874 C GLU A 709 -2.513 3.770 -14.319 1.00 12.10 C ATOM 1875 O GLU A 709 -1.752 4.308 -15.125 1.00 13.42 O ATOM 1876 CB GLU A 709 -2.272 5.109 -12.157 1.00 31.42 C ATOM 1877 CG GLU A 709 -3.646 5.800 -12.130 1.00 3.32 C ATOM 1878 CD GLU A 709 -4.124 6.290 -13.476 1.00 74.20 C ATOM 1879 OE1 GLU A 709 -3.597 7.314 -13.964 1.00 15.11 O ATOM 1880 OE2 GLU A 709 -5.010 5.654 -14.061 1.00 54.13 O ATOM 0 H GLU A 709 -0.133 3.926 -12.593 1.00 1.44 H new ATOM 0 HA GLU A 709 -2.906 3.068 -12.349 1.00 33.22 H new ATOM 0 HB2 GLU A 709 -1.929 5.005 -11.128 1.00 31.42 H new ATOM 0 HB3 GLU A 709 -1.572 5.775 -12.661 1.00 31.42 H new ATOM 0 HG2 GLU A 709 -4.382 5.103 -11.728 1.00 3.32 H new ATOM 0 HG3 GLU A 709 -3.600 6.646 -11.444 1.00 3.32 H new ATOM 1887 N ASP A 710 -3.623 3.194 -14.655 1.00 20.31 N ATOM 1888 CA ASP A 710 -4.153 3.196 -16.023 1.00 30.24 C ATOM 1889 C ASP A 710 -5.658 3.097 -15.941 1.00 62.21 C ATOM 1890 O ASP A 710 -6.396 3.671 -16.735 1.00 54.03 O ATOM 1891 CB ASP A 710 -3.595 2.015 -16.835 1.00 70.40 C ATOM 1892 CG ASP A 710 -4.169 1.941 -18.243 1.00 21.24 C ATOM 1893 OD1 ASP A 710 -3.601 2.564 -19.171 1.00 55.25 O ATOM 1894 OD2 ASP A 710 -5.189 1.265 -18.441 1.00 21.31 O ATOM 0 H ASP A 710 -4.213 2.694 -13.990 1.00 20.31 H new ATOM 0 HA ASP A 710 -3.853 4.114 -16.528 1.00 30.24 H new ATOM 0 HB2 ASP A 710 -2.510 2.102 -16.894 1.00 70.40 H new ATOM 0 HB3 ASP A 710 -3.812 1.085 -16.310 1.00 70.40 H new ATOM 1899 N ASN A 711 -6.088 2.378 -14.947 1.00 15.45 N ATOM 1900 CA ASN A 711 -7.486 2.140 -14.659 1.00 52.04 C ATOM 1901 C ASN A 711 -8.095 3.224 -13.744 1.00 32.43 C ATOM 1902 O ASN A 711 -9.142 2.997 -13.130 1.00 34.10 O ATOM 1903 CB ASN A 711 -7.618 0.732 -14.037 1.00 30.02 C ATOM 1904 CG ASN A 711 -6.676 0.519 -12.848 1.00 71.45 C ATOM 1905 OD1 ASN A 711 -7.157 0.704 -11.654 1.00 21.34 O flip ATOM 1906 ND2 ASN A 711 -5.510 0.137 -13.030 1.00 71.34 N flip ATOM 0 H ASN A 711 -5.459 1.922 -14.286 1.00 15.45 H new ATOM 0 HA ASN A 711 -8.053 2.192 -15.588 1.00 52.04 H new ATOM 0 HB2 ASN A 711 -8.647 0.578 -13.712 1.00 30.02 H new ATOM 0 HB3 ASN A 711 -7.409 -0.018 -14.799 1.00 30.02 H new ATOM 0 HD21 ASN A 711 -5.160 0.000 -13.978 1.00 71.34 H new ATOM 0 HD22 ASN A 711 -4.901 -0.041 -12.231 1.00 71.34 H new ATOM 1912 N SER A 712 -7.426 4.406 -13.648 1.00 21.12 N ATOM 1913 CA SER A 712 -7.934 5.575 -12.879 1.00 52.24 C ATOM 1914 C SER A 712 -7.885 5.365 -11.354 1.00 5.02 C ATOM 1915 O SER A 712 -8.294 6.220 -10.559 1.00 12.42 O ATOM 1916 CB SER A 712 -9.306 6.030 -13.387 1.00 13.24 C ATOM 1917 OG SER A 712 -9.209 6.395 -14.772 1.00 34.45 O ATOM 0 H SER A 712 -6.526 4.574 -14.098 1.00 21.12 H new ATOM 0 HA SER A 712 -7.245 6.399 -13.066 1.00 52.24 H new ATOM 0 HB2 SER A 712 -10.035 5.230 -13.261 1.00 13.24 H new ATOM 0 HB3 SER A 712 -9.659 6.878 -12.801 1.00 13.24 H new ATOM 0 HG SER A 712 -10.087 6.684 -15.096 1.00 34.45 H new ATOM 1923 N THR A 713 -7.401 4.241 -10.981 1.00 40.14 N ATOM 1924 CA THR A 713 -7.193 3.873 -9.646 1.00 62.21 C ATOM 1925 C THR A 713 -5.761 3.355 -9.577 1.00 73.35 C ATOM 1926 O THR A 713 -5.315 2.629 -10.470 1.00 20.15 O ATOM 1927 CB THR A 713 -8.189 2.763 -9.236 1.00 33.42 C ATOM 1928 OG1 THR A 713 -9.534 3.202 -9.499 1.00 61.45 O ATOM 1929 CG2 THR A 713 -8.069 2.432 -7.763 1.00 52.33 C ATOM 0 H THR A 713 -7.126 3.516 -11.643 1.00 40.14 H new ATOM 0 HA THR A 713 -7.348 4.712 -8.967 1.00 62.21 H new ATOM 0 HB THR A 713 -7.955 1.872 -9.818 1.00 33.42 H new ATOM 0 HG1 THR A 713 -10.164 2.498 -9.241 1.00 61.45 H new ATOM 0 HG21 THR A 713 -8.782 1.649 -7.507 1.00 52.33 H new ATOM 0 HG22 THR A 713 -7.058 2.086 -7.549 1.00 52.33 H new ATOM 0 HG23 THR A 713 -8.281 3.323 -7.172 1.00 52.33 H new ATOM 1935 N TYR A 714 -5.044 3.757 -8.584 1.00 71.23 N ATOM 1936 CA TYR A 714 -3.681 3.371 -8.426 1.00 72.23 C ATOM 1937 C TYR A 714 -3.619 2.034 -7.755 1.00 74.10 C ATOM 1938 O TYR A 714 -4.083 1.875 -6.639 1.00 44.24 O ATOM 1939 CB TYR A 714 -2.923 4.424 -7.600 1.00 53.04 C ATOM 1940 CG TYR A 714 -2.831 5.786 -8.264 1.00 63.25 C ATOM 1941 CD1 TYR A 714 -3.939 6.621 -8.361 1.00 30.40 C ATOM 1942 CD2 TYR A 714 -1.636 6.231 -8.802 1.00 15.21 C ATOM 1943 CE1 TYR A 714 -3.853 7.850 -8.971 1.00 42.21 C ATOM 1944 CE2 TYR A 714 -1.545 7.462 -9.412 1.00 72.15 C ATOM 1945 CZ TYR A 714 -2.657 8.267 -9.495 1.00 53.21 C ATOM 1946 OH TYR A 714 -2.571 9.504 -10.093 1.00 1.23 O ATOM 0 H TYR A 714 -5.392 4.372 -7.848 1.00 71.23 H new ATOM 0 HA TYR A 714 -3.208 3.301 -9.406 1.00 72.23 H new ATOM 0 HB2 TYR A 714 -3.416 4.535 -6.634 1.00 53.04 H new ATOM 0 HB3 TYR A 714 -1.915 4.059 -7.404 1.00 53.04 H new ATOM 0 HD1 TYR A 714 -4.884 6.298 -7.950 1.00 30.40 H new ATOM 0 HD2 TYR A 714 -0.760 5.602 -8.742 1.00 15.21 H new ATOM 0 HE1 TYR A 714 -4.724 8.485 -9.037 1.00 42.21 H new ATOM 0 HE2 TYR A 714 -0.604 7.794 -9.824 1.00 72.15 H new ATOM 0 HH TYR A 714 -3.472 9.843 -10.274 1.00 1.23 H new ATOM 1956 N ASN A 715 -3.060 1.088 -8.436 1.00 14.01 N ATOM 1957 CA ASN A 715 -2.914 -0.244 -7.907 1.00 13.45 C ATOM 1958 C ASN A 715 -1.531 -0.507 -7.423 1.00 45.51 C ATOM 1959 O ASN A 715 -0.537 -0.281 -8.137 1.00 25.22 O ATOM 1960 CB ASN A 715 -3.304 -1.302 -8.930 1.00 24.44 C ATOM 1961 CG ASN A 715 -4.804 -1.555 -9.011 1.00 23.33 C ATOM 1962 OD1 ASN A 715 -5.283 -2.548 -8.257 1.00 71.51 O flip ATOM 1963 ND2 ASN A 715 -5.533 -0.886 -9.758 1.00 60.10 N flip ATOM 0 H ASN A 715 -2.688 1.209 -9.378 1.00 14.01 H new ATOM 0 HA ASN A 715 -3.594 -0.307 -7.057 1.00 13.45 H new ATOM 0 HB2 ASN A 715 -2.943 -0.995 -9.912 1.00 24.44 H new ATOM 0 HB3 ASN A 715 -2.800 -2.236 -8.683 1.00 24.44 H new ATOM 0 HD21 ASN A 715 -5.134 -0.134 -10.320 1.00 60.10 H new ATOM 0 HD22 ASN A 715 -6.532 -1.087 -9.810 1.00 60.10 H new ATOM 1969 N PHE A 716 -1.467 -0.956 -6.209 1.00 52.44 N ATOM 1970 CA PHE A 716 -0.244 -1.365 -5.597 1.00 71.24 C ATOM 1971 C PHE A 716 -0.321 -2.834 -5.309 1.00 74.32 C ATOM 1972 O PHE A 716 -1.400 -3.360 -4.996 1.00 62.52 O ATOM 1973 CB PHE A 716 0.033 -0.597 -4.294 1.00 31.20 C ATOM 1974 CG PHE A 716 0.296 0.875 -4.470 1.00 43.41 C ATOM 1975 CD1 PHE A 716 -0.742 1.773 -4.638 1.00 42.40 C ATOM 1976 CD2 PHE A 716 1.592 1.353 -4.456 1.00 35.24 C ATOM 1977 CE1 PHE A 716 -0.487 3.123 -4.794 1.00 33.12 C ATOM 1978 CE2 PHE A 716 1.851 2.697 -4.608 1.00 1.44 C ATOM 1979 CZ PHE A 716 0.812 3.583 -4.778 1.00 72.34 C ATOM 0 H PHE A 716 -2.282 -1.050 -5.603 1.00 52.44 H new ATOM 0 HA PHE A 716 0.574 -1.147 -6.283 1.00 71.24 H new ATOM 0 HB2 PHE A 716 -0.820 -0.722 -3.627 1.00 31.20 H new ATOM 0 HB3 PHE A 716 0.893 -1.048 -3.799 1.00 31.20 H new ATOM 0 HD1 PHE A 716 -1.761 1.417 -4.647 1.00 42.40 H new ATOM 0 HD2 PHE A 716 2.413 0.664 -4.324 1.00 35.24 H new ATOM 0 HE1 PHE A 716 -1.305 3.816 -4.928 1.00 33.12 H new ATOM 0 HE2 PHE A 716 2.870 3.056 -4.594 1.00 1.44 H new ATOM 0 HZ PHE A 716 1.014 4.637 -4.899 1.00 72.34 H new ATOM 1989 N ARG A 717 0.780 -3.487 -5.412 1.00 73.13 N ATOM 1990 CA ARG A 717 0.865 -4.884 -5.124 1.00 23.43 C ATOM 1991 C ARG A 717 1.520 -5.052 -3.786 1.00 64.34 C ATOM 1992 O ARG A 717 2.599 -4.519 -3.549 1.00 63.14 O ATOM 1993 CB ARG A 717 1.668 -5.599 -6.199 1.00 43.10 C ATOM 1994 CG ARG A 717 1.935 -7.049 -5.896 1.00 63.15 C ATOM 1995 CD ARG A 717 2.679 -7.733 -7.017 1.00 31.41 C ATOM 1996 NE ARG A 717 1.904 -7.821 -8.235 1.00 71.34 N ATOM 1997 CZ ARG A 717 2.196 -8.634 -9.269 1.00 43.31 C ATOM 1998 NH1 ARG A 717 3.225 -9.492 -9.190 1.00 21.41 N ATOM 1999 NH2 ARG A 717 1.444 -8.607 -10.364 1.00 32.23 N ATOM 0 H ARG A 717 1.663 -3.066 -5.702 1.00 73.13 H new ATOM 0 HA ARG A 717 -0.134 -5.320 -5.106 1.00 23.43 H new ATOM 0 HB2 ARG A 717 1.133 -5.528 -7.146 1.00 43.10 H new ATOM 0 HB3 ARG A 717 2.620 -5.084 -6.331 1.00 43.10 H new ATOM 0 HG2 ARG A 717 2.514 -7.126 -4.976 1.00 63.15 H new ATOM 0 HG3 ARG A 717 0.990 -7.563 -5.722 1.00 63.15 H new ATOM 0 HD2 ARG A 717 3.602 -7.190 -7.218 1.00 31.41 H new ATOM 0 HD3 ARG A 717 2.962 -8.736 -6.699 1.00 31.41 H new ATOM 0 HE ARG A 717 1.079 -7.226 -8.317 1.00 71.34 H new ATOM 0 HH11 ARG A 717 3.792 -9.532 -8.343 1.00 21.41 H new ATOM 0 HH12 ARG A 717 3.440 -10.104 -9.977 1.00 21.41 H new ATOM 0 HH21 ARG A 717 0.648 -7.972 -10.420 1.00 32.23 H new ATOM 0 HH22 ARG A 717 1.663 -9.221 -11.148 1.00 32.23 H new ATOM 2011 N TRP A 718 0.879 -5.761 -2.913 1.00 4.34 N ATOM 2012 CA TRP A 718 1.391 -5.934 -1.597 1.00 41.00 C ATOM 2013 C TRP A 718 1.584 -7.418 -1.325 1.00 43.22 C ATOM 2014 O TRP A 718 0.632 -8.169 -1.322 1.00 43.24 O ATOM 2015 CB TRP A 718 0.387 -5.349 -0.595 1.00 64.11 C ATOM 2016 CG TRP A 718 0.930 -5.155 0.781 1.00 54.44 C ATOM 2017 CD1 TRP A 718 1.381 -6.107 1.631 1.00 75.51 C ATOM 2018 CD2 TRP A 718 1.043 -3.919 1.471 1.00 32.23 C ATOM 2019 NE1 TRP A 718 1.796 -5.535 2.802 1.00 24.30 N ATOM 2020 CE2 TRP A 718 1.598 -4.194 2.727 1.00 31.42 C ATOM 2021 CE3 TRP A 718 0.739 -2.598 1.144 1.00 0.32 C ATOM 2022 CZ2 TRP A 718 1.856 -3.210 3.651 1.00 41.21 C ATOM 2023 CZ3 TRP A 718 0.991 -1.619 2.073 1.00 54.15 C ATOM 2024 CH2 TRP A 718 1.546 -1.930 3.307 1.00 22.22 C ATOM 0 H TRP A 718 -0.008 -6.232 -3.093 1.00 4.34 H new ATOM 0 HA TRP A 718 2.349 -5.424 -1.496 1.00 41.00 H new ATOM 0 HB2 TRP A 718 0.034 -4.389 -0.972 1.00 64.11 H new ATOM 0 HB3 TRP A 718 -0.479 -6.008 -0.541 1.00 64.11 H new ATOM 0 HD1 TRP A 718 1.409 -7.165 1.416 1.00 75.51 H new ATOM 0 HE1 TRP A 718 2.189 -6.034 3.600 1.00 24.30 H new ATOM 0 HE3 TRP A 718 0.315 -2.351 0.182 1.00 0.32 H new ATOM 0 HZ2 TRP A 718 2.288 -3.443 4.613 1.00 41.21 H new ATOM 0 HZ3 TRP A 718 0.754 -0.591 1.840 1.00 54.15 H new ATOM 0 HH2 TRP A 718 1.737 -1.135 4.013 1.00 22.22 H new ATOM 2035 N TYR A 719 2.803 -7.833 -1.128 1.00 64.41 N ATOM 2036 CA TYR A 719 3.082 -9.215 -0.764 1.00 1.51 C ATOM 2037 C TYR A 719 3.115 -9.313 0.751 1.00 22.23 C ATOM 2038 O TYR A 719 4.022 -8.783 1.369 1.00 11.31 O ATOM 2039 CB TYR A 719 4.438 -9.679 -1.327 1.00 0.01 C ATOM 2040 CG TYR A 719 4.546 -9.736 -2.834 1.00 72.33 C ATOM 2041 CD1 TYR A 719 4.968 -8.635 -3.568 1.00 72.34 C ATOM 2042 CD2 TYR A 719 4.241 -10.905 -3.525 1.00 31.32 C ATOM 2043 CE1 TYR A 719 5.088 -8.702 -4.940 1.00 71.01 C ATOM 2044 CE2 TYR A 719 4.356 -10.974 -4.900 1.00 3.00 C ATOM 2045 CZ TYR A 719 4.782 -9.871 -5.599 1.00 35.11 C ATOM 2046 OH TYR A 719 4.905 -9.930 -6.975 1.00 41.12 O ATOM 0 H TYR A 719 3.629 -7.241 -1.211 1.00 64.41 H new ATOM 0 HA TYR A 719 2.304 -9.854 -1.182 1.00 1.51 H new ATOM 0 HB2 TYR A 719 5.213 -9.010 -0.952 1.00 0.01 H new ATOM 0 HB3 TYR A 719 4.654 -10.671 -0.929 1.00 0.01 H new ATOM 0 HD1 TYR A 719 5.205 -7.714 -3.057 1.00 72.34 H new ATOM 0 HD2 TYR A 719 3.908 -11.774 -2.976 1.00 31.32 H new ATOM 0 HE1 TYR A 719 5.422 -7.839 -5.497 1.00 71.01 H new ATOM 0 HE2 TYR A 719 4.113 -11.888 -5.421 1.00 3.00 H new ATOM 0 HH TYR A 719 4.888 -10.866 -7.265 1.00 41.12 H new ATOM 2056 N THR A 720 2.139 -9.955 1.343 1.00 74.11 N ATOM 2057 CA THR A 720 2.087 -10.047 2.785 1.00 51.15 C ATOM 2058 C THR A 720 1.637 -11.418 3.253 1.00 42.51 C ATOM 2059 O THR A 720 0.765 -12.048 2.643 1.00 3.03 O ATOM 2060 CB THR A 720 1.184 -8.949 3.424 1.00 11.11 C ATOM 2061 OG1 THR A 720 1.204 -9.057 4.854 1.00 52.12 O ATOM 2062 CG2 THR A 720 -0.250 -9.044 2.936 1.00 22.42 C ATOM 0 H THR A 720 1.373 -10.420 0.855 1.00 74.11 H new ATOM 0 HA THR A 720 3.110 -9.882 3.124 1.00 51.15 H new ATOM 0 HB THR A 720 1.587 -7.983 3.120 1.00 11.11 H new ATOM 0 HG1 THR A 720 1.774 -8.353 5.227 1.00 52.12 H new ATOM 0 HG21 THR A 720 -0.847 -8.261 3.405 1.00 22.42 H new ATOM 0 HG22 THR A 720 -0.275 -8.920 1.853 1.00 22.42 H new ATOM 0 HG23 THR A 720 -0.660 -10.019 3.199 1.00 22.42 H new ATOM 2068 N SER A 721 2.249 -11.874 4.321 1.00 31.35 N ATOM 2069 CA SER A 721 1.925 -13.125 4.964 1.00 31.23 C ATOM 2070 C SER A 721 0.499 -13.063 5.519 1.00 60.05 C ATOM 2071 O SER A 721 -0.179 -14.079 5.667 1.00 61.13 O ATOM 2072 CB SER A 721 2.931 -13.368 6.095 1.00 21.13 C ATOM 2073 OG SER A 721 2.741 -14.625 6.730 1.00 45.30 O ATOM 0 H SER A 721 3.008 -11.370 4.779 1.00 31.35 H new ATOM 0 HA SER A 721 1.980 -13.944 4.247 1.00 31.23 H new ATOM 0 HB2 SER A 721 3.943 -13.316 5.694 1.00 21.13 H new ATOM 0 HB3 SER A 721 2.840 -12.573 6.835 1.00 21.13 H new ATOM 0 HG SER A 721 3.405 -14.736 7.442 1.00 45.30 H new ATOM 2079 N TYR A 722 0.041 -11.851 5.785 1.00 13.11 N ATOM 2080 CA TYR A 722 -1.274 -11.620 6.318 1.00 44.42 C ATOM 2081 C TYR A 722 -2.345 -11.826 5.261 1.00 52.42 C ATOM 2082 O TYR A 722 -3.524 -11.842 5.562 1.00 61.51 O ATOM 2083 CB TYR A 722 -1.347 -10.248 6.966 1.00 73.55 C ATOM 2084 CG TYR A 722 -0.405 -10.127 8.150 1.00 71.41 C ATOM 2085 CD1 TYR A 722 0.937 -9.791 7.980 1.00 54.02 C ATOM 2086 CD2 TYR A 722 -0.855 -10.372 9.433 1.00 32.34 C ATOM 2087 CE1 TYR A 722 1.791 -9.706 9.057 1.00 0.01 C ATOM 2088 CE2 TYR A 722 -0.008 -10.287 10.511 1.00 42.44 C ATOM 2089 CZ TYR A 722 1.311 -9.955 10.320 1.00 72.45 C ATOM 2090 OH TYR A 722 2.159 -9.877 11.401 1.00 44.02 O ATOM 0 H TYR A 722 0.582 -11.000 5.633 1.00 13.11 H new ATOM 0 HA TYR A 722 -1.470 -12.358 7.096 1.00 44.42 H new ATOM 0 HB2 TYR A 722 -1.101 -9.485 6.228 1.00 73.55 H new ATOM 0 HB3 TYR A 722 -2.368 -10.056 7.294 1.00 73.55 H new ATOM 0 HD1 TYR A 722 1.313 -9.594 6.987 1.00 54.02 H new ATOM 0 HD2 TYR A 722 -1.891 -10.635 9.591 1.00 32.34 H new ATOM 0 HE1 TYR A 722 2.829 -9.446 8.910 1.00 0.01 H new ATOM 0 HE2 TYR A 722 -0.378 -10.481 11.507 1.00 42.44 H new ATOM 0 HH TYR A 722 1.663 -10.080 12.221 1.00 44.02 H new ATOM 2100 N ALA A 723 -1.920 -11.959 4.020 1.00 24.01 N ATOM 2101 CA ALA A 723 -2.821 -12.252 2.931 1.00 33.24 C ATOM 2102 C ALA A 723 -2.639 -13.699 2.506 1.00 52.41 C ATOM 2103 O ALA A 723 -3.069 -14.102 1.428 1.00 3.42 O ATOM 2104 CB ALA A 723 -2.568 -11.324 1.757 1.00 43.53 C ATOM 0 H ALA A 723 -0.943 -11.867 3.742 1.00 24.01 H new ATOM 0 HA ALA A 723 -3.846 -12.097 3.267 1.00 33.24 H new ATOM 0 HB1 ALA A 723 -3.259 -11.564 0.948 1.00 43.53 H new ATOM 0 HB2 ALA A 723 -2.720 -10.291 2.070 1.00 43.53 H new ATOM 0 HB3 ALA A 723 -1.543 -11.450 1.408 1.00 43.53 H new ATOM 2110 N CYS A 724 -2.031 -14.485 3.367 1.00 32.51 N ATOM 2111 CA CYS A 724 -1.816 -15.880 3.070 1.00 53.23 C ATOM 2112 C CYS A 724 -2.757 -16.732 3.916 1.00 74.42 C ATOM 2113 O CYS A 724 -2.785 -16.600 5.152 1.00 74.32 O ATOM 2114 CB CYS A 724 -0.364 -16.281 3.403 1.00 42.53 C ATOM 2115 SG CYS A 724 0.931 -15.342 2.520 1.00 23.04 S ATOM 0 H CYS A 724 -1.679 -14.181 4.275 1.00 32.51 H new ATOM 0 HA CYS A 724 -2.006 -16.042 2.009 1.00 53.23 H new ATOM 0 HB2 CYS A 724 -0.209 -16.161 4.475 1.00 42.53 H new ATOM 0 HB3 CYS A 724 -0.237 -17.340 3.179 1.00 42.53 H new ATOM 2120 N PRO A 725 -3.558 -17.604 3.279 1.00 4.32 N ATOM 2121 CA PRO A 725 -4.419 -18.525 3.974 1.00 33.11 C ATOM 2122 C PRO A 725 -3.704 -19.852 4.226 1.00 33.45 C ATOM 2123 O PRO A 725 -3.058 -19.990 5.278 1.00 37.48 O ATOM 2124 CB PRO A 725 -5.602 -18.717 3.005 1.00 25.41 C ATOM 2125 CG PRO A 725 -5.181 -18.089 1.700 1.00 1.22 C ATOM 2126 CD PRO A 725 -3.724 -17.730 1.832 1.00 12.13 C ATOM 2127 OXT PRO A 725 -3.768 -20.756 3.365 1.00 37.48 O ATOM 0 HA PRO A 725 -4.728 -18.160 4.953 1.00 33.11 H new ATOM 0 HB2 PRO A 725 -5.830 -19.775 2.873 1.00 25.41 H new ATOM 0 HB3 PRO A 725 -6.504 -18.243 3.392 1.00 25.41 H new ATOM 0 HG2 PRO A 725 -5.334 -18.781 0.872 1.00 1.22 H new ATOM 0 HG3 PRO A 725 -5.779 -17.202 1.488 1.00 1.22 H new ATOM 0 HD2 PRO A 725 -3.077 -18.502 1.415 1.00 12.13 H new ATOM 0 HD3 PRO A 725 -3.487 -16.801 1.314 1.00 12.13 H new