USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 711 ASN : amide:sc= -2.55! C(o=-3.5!,f=-6.1!) USER MOD Set 1.2: A 715 ASN : amide:sc= -0.927 K(o=-3.5,f=-6.1) USER MOD Set 2.1: A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 670 GLN :FLIP amide:sc= -1.36 F(o=-4.3!,f=-1.4) USER MOD Set 3.1: A 640 SER OG : rot 84:sc= 0.181 USER MOD Set 3.2: A 654 ASN : amide:sc= 1.47 K(o=1.7,f=-8.9!) USER MOD Set 4.1: A 587 THR OG1 : rot 30:sc= 0.52 USER MOD Set 4.2: A 598 GLN : amide:sc= 0.302 K(o=0.82,f=0.16) USER MOD Single : A 591 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.23) USER MOD Single : A 593 THR OG1 : rot -66:sc= 0.269 USER MOD Single : A 597 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 602 SER OG : rot 31:sc= 0.00964 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 609 THR OG1 : rot -101:sc= 1.39 USER MOD Single : A 610 LYS NZ :NH3+ -161:sc= 0.396 (180deg=0.244) USER MOD Single : A 611 LYS NZ :NH3+ -113:sc= 0.737 (180deg=-0.000108) USER MOD Single : A 614 TYR OH : rot 14:sc= 0.0592 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -46:sc= 1.32 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= -2.04 K(o=-2,f=-7.6!) USER MOD Single : A 626 ASN : amide:sc= 0.436 K(o=0.44,f=-5.1!) USER MOD Single : A 632 SER OG : rot -109:sc= 0.0101 USER MOD Single : A 644 GLN :FLIP amide:sc= 0.317 F(o=-0.72,f=0.32) USER MOD Single : A 646 SER OG : rot -165:sc= 0.427 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= -1.1 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 ASN : amide:sc= -1.66! C(o=-1.7!,f=-7.8!) USER MOD Single : A 661 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.186) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 30:sc= 0 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -137:sc= 0.972 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 679 TYR OH : rot -124:sc= 0.229 USER MOD Single : A 685 THR OG1 : rot 28:sc= 0.112 USER MOD Single : A 689 THR OG1 : rot 71:sc= 0.819 USER MOD Single : A 692 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.498 USER MOD Single : A 707 GLN :FLIP amide:sc= -0.243 F(o=-0.78,f=-0.24) USER MOD Single : A 712 SER OG : rot 8:sc= 1.2 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 TYR OH : rot -32:sc= 1.03 USER MOD Single : A 719 TYR OH : rot -140:sc= 0.601 USER MOD Single : A 720 THR OG1 : rot 106:sc= -0.635 USER MOD Single : A 721 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -15.874 -8.805 -0.645 1.00 65.31 N ATOM 137 CA THR A 587 -16.391 -8.751 0.667 1.00 32.02 C ATOM 138 C THR A 587 -15.693 -7.611 1.412 1.00 1.33 C ATOM 139 O THR A 587 -14.488 -7.625 1.550 1.00 3.14 O ATOM 140 CB THR A 587 -16.123 -10.085 1.359 1.00 53.23 C ATOM 141 OG1 THR A 587 -16.613 -11.164 0.542 1.00 72.34 O ATOM 142 CG2 THR A 587 -16.809 -10.133 2.684 1.00 54.51 C ATOM 0 HA THR A 587 -17.466 -8.571 0.656 1.00 32.02 H new ATOM 0 HB THR A 587 -15.048 -10.187 1.506 1.00 53.23 H new ATOM 0 HG1 THR A 587 -16.558 -10.910 -0.403 1.00 72.34 H new ATOM 0 HG21 THR A 587 -16.607 -11.091 3.164 1.00 54.51 H new ATOM 0 HG22 THR A 587 -16.438 -9.326 3.315 1.00 54.51 H new ATOM 0 HG23 THR A 587 -17.883 -10.018 2.542 1.00 54.51 H new ATOM 148 N GLU A 588 -16.434 -6.626 1.855 1.00 61.41 N ATOM 149 CA GLU A 588 -15.826 -5.498 2.539 1.00 5.44 C ATOM 150 C GLU A 588 -16.077 -5.624 4.030 1.00 32.10 C ATOM 151 O GLU A 588 -17.224 -5.775 4.468 1.00 64.33 O ATOM 152 CB GLU A 588 -16.361 -4.168 1.979 1.00 42.31 C ATOM 153 CG GLU A 588 -15.689 -2.927 2.557 1.00 1.44 C ATOM 154 CD GLU A 588 -16.226 -1.643 1.963 1.00 64.42 C ATOM 155 OE1 GLU A 588 -17.237 -1.131 2.465 1.00 75.24 O ATOM 156 OE2 GLU A 588 -15.644 -1.124 0.985 1.00 24.00 O ATOM 0 H GLU A 588 -17.448 -6.576 1.759 1.00 61.41 H new ATOM 0 HA GLU A 588 -14.750 -5.503 2.368 1.00 5.44 H new ATOM 0 HB2 GLU A 588 -16.233 -4.165 0.897 1.00 42.31 H new ATOM 0 HB3 GLU A 588 -17.432 -4.110 2.173 1.00 42.31 H new ATOM 0 HG2 GLU A 588 -15.833 -2.911 3.637 1.00 1.44 H new ATOM 0 HG3 GLU A 588 -14.615 -2.984 2.379 1.00 1.44 H new ATOM 163 N GLY A 589 -15.012 -5.591 4.795 1.00 33.25 N ATOM 164 CA GLY A 589 -15.116 -5.801 6.217 1.00 63.23 C ATOM 165 C GLY A 589 -15.259 -4.524 7.004 1.00 1.12 C ATOM 166 O GLY A 589 -16.153 -3.718 6.743 1.00 4.54 O ATOM 0 H GLY A 589 -14.065 -5.421 4.456 1.00 33.25 H new ATOM 0 HA2 GLY A 589 -15.974 -6.442 6.420 1.00 63.23 H new ATOM 0 HA3 GLY A 589 -14.231 -6.335 6.563 1.00 63.23 H new ATOM 170 N ASP A 590 -14.371 -4.333 7.954 1.00 4.03 N ATOM 171 CA ASP A 590 -14.423 -3.189 8.850 1.00 72.04 C ATOM 172 C ASP A 590 -13.118 -2.433 8.760 1.00 44.12 C ATOM 173 O ASP A 590 -12.366 -2.590 7.793 1.00 30.00 O ATOM 174 CB ASP A 590 -14.621 -3.645 10.309 1.00 74.21 C ATOM 175 CG ASP A 590 -15.846 -4.497 10.540 1.00 63.34 C ATOM 176 OD1 ASP A 590 -16.959 -3.951 10.648 1.00 43.35 O ATOM 177 OD2 ASP A 590 -15.703 -5.740 10.649 1.00 4.55 O ATOM 0 H ASP A 590 -13.590 -4.965 8.131 1.00 4.03 H new ATOM 0 HA ASP A 590 -15.261 -2.557 8.556 1.00 72.04 H new ATOM 0 HB2 ASP A 590 -13.740 -4.205 10.624 1.00 74.21 H new ATOM 0 HB3 ASP A 590 -14.682 -2.763 10.946 1.00 74.21 H new ATOM 182 N ASN A 591 -12.851 -1.609 9.758 1.00 54.43 N ATOM 183 CA ASN A 591 -11.626 -0.838 9.807 1.00 14.24 C ATOM 184 C ASN A 591 -10.410 -1.743 10.026 1.00 22.52 C ATOM 185 O ASN A 591 -10.325 -2.474 11.027 1.00 13.52 O ATOM 186 CB ASN A 591 -11.674 0.282 10.895 1.00 62.31 C ATOM 187 CG ASN A 591 -11.733 -0.229 12.342 1.00 44.44 C ATOM 188 OD1 ASN A 591 -10.704 -0.445 12.983 1.00 70.03 O ATOM 189 ND2 ASN A 591 -12.924 -0.406 12.866 1.00 54.50 N ATOM 0 H ASN A 591 -13.474 -1.458 10.551 1.00 54.43 H new ATOM 0 HA ASN A 591 -11.527 -0.349 8.838 1.00 14.24 H new ATOM 0 HB2 ASN A 591 -10.794 0.915 10.784 1.00 62.31 H new ATOM 0 HB3 ASN A 591 -12.545 0.911 10.711 1.00 62.31 H new ATOM 0 HD21 ASN A 591 -13.014 -0.731 13.829 1.00 54.50 H new ATOM 0 HD22 ASN A 591 -13.759 -0.219 12.310 1.00 54.50 H new ATOM 195 N CYS A 592 -9.521 -1.756 9.034 1.00 20.42 N ATOM 196 CA CYS A 592 -8.215 -2.439 9.092 1.00 42.10 C ATOM 197 C CYS A 592 -8.319 -3.966 9.151 1.00 31.34 C ATOM 198 O CYS A 592 -7.302 -4.673 9.101 1.00 64.12 O ATOM 199 CB CYS A 592 -7.398 -1.913 10.265 1.00 22.20 C ATOM 200 SG CYS A 592 -7.160 -0.111 10.237 1.00 24.30 S ATOM 0 H CYS A 592 -9.685 -1.284 8.145 1.00 20.42 H new ATOM 0 HA CYS A 592 -7.707 -2.209 8.155 1.00 42.10 H new ATOM 0 HB2 CYS A 592 -7.893 -2.191 11.195 1.00 22.20 H new ATOM 0 HB3 CYS A 592 -6.423 -2.400 10.265 1.00 22.20 H new ATOM 205 N THR A 593 -9.525 -4.476 9.224 1.00 12.14 N ATOM 206 CA THR A 593 -9.732 -5.884 9.312 1.00 13.23 C ATOM 207 C THR A 593 -10.821 -6.302 8.352 1.00 65.01 C ATOM 208 O THR A 593 -11.784 -5.560 8.129 1.00 2.35 O ATOM 209 CB THR A 593 -10.142 -6.268 10.761 1.00 72.11 C ATOM 210 OG1 THR A 593 -11.205 -5.400 11.213 1.00 52.23 O ATOM 211 CG2 THR A 593 -8.969 -6.161 11.720 1.00 40.41 C ATOM 0 H THR A 593 -10.381 -3.921 9.223 1.00 12.14 H new ATOM 0 HA THR A 593 -8.805 -6.396 9.052 1.00 13.23 H new ATOM 0 HB THR A 593 -10.481 -7.304 10.748 1.00 72.11 H new ATOM 0 HG1 THR A 593 -10.869 -4.483 11.288 1.00 52.23 H new ATOM 0 HG21 THR A 593 -9.293 -6.437 12.723 1.00 40.41 H new ATOM 0 HG22 THR A 593 -8.173 -6.833 11.398 1.00 40.41 H new ATOM 0 HG23 THR A 593 -8.598 -5.136 11.728 1.00 40.41 H new ATOM 217 N VAL A 594 -10.670 -7.450 7.777 1.00 43.24 N ATOM 218 CA VAL A 594 -11.669 -7.973 6.911 1.00 70.33 C ATOM 219 C VAL A 594 -12.012 -9.398 7.271 1.00 41.21 C ATOM 220 O VAL A 594 -11.134 -10.247 7.355 1.00 31.22 O ATOM 221 CB VAL A 594 -11.289 -7.842 5.396 1.00 31.43 C ATOM 222 CG1 VAL A 594 -9.999 -8.583 5.054 1.00 73.31 C ATOM 223 CG2 VAL A 594 -12.436 -8.295 4.498 1.00 15.15 C ATOM 0 H VAL A 594 -9.852 -8.048 7.895 1.00 43.24 H new ATOM 0 HA VAL A 594 -12.559 -7.362 7.059 1.00 70.33 H new ATOM 0 HB VAL A 594 -11.107 -6.784 5.208 1.00 31.43 H new ATOM 0 HG11 VAL A 594 -9.780 -8.461 3.993 1.00 73.31 H new ATOM 0 HG12 VAL A 594 -9.178 -8.175 5.643 1.00 73.31 H new ATOM 0 HG13 VAL A 594 -10.117 -9.643 5.281 1.00 73.31 H new ATOM 0 HG21 VAL A 594 -12.142 -8.192 3.453 1.00 15.15 H new ATOM 0 HG22 VAL A 594 -12.672 -9.338 4.708 1.00 15.15 H new ATOM 0 HG23 VAL A 594 -13.314 -7.678 4.690 1.00 15.15 H new ATOM 229 N PHE A 595 -13.239 -9.648 7.537 1.00 74.24 N ATOM 230 CA PHE A 595 -13.690 -10.988 7.669 1.00 14.24 C ATOM 231 C PHE A 595 -14.658 -11.256 6.579 1.00 53.12 C ATOM 232 O PHE A 595 -15.656 -10.541 6.430 1.00 65.44 O ATOM 233 CB PHE A 595 -14.287 -11.321 9.047 1.00 41.30 C ATOM 234 CG PHE A 595 -14.875 -12.706 9.072 1.00 53.00 C ATOM 235 CD1 PHE A 595 -14.137 -13.779 8.603 1.00 54.25 C ATOM 236 CD2 PHE A 595 -16.166 -12.930 9.505 1.00 41.42 C ATOM 237 CE1 PHE A 595 -14.657 -15.034 8.564 1.00 53.52 C ATOM 238 CE2 PHE A 595 -16.704 -14.199 9.469 1.00 43.45 C ATOM 239 CZ PHE A 595 -15.944 -15.253 8.994 1.00 1.13 C ATOM 0 H PHE A 595 -13.958 -8.937 7.669 1.00 74.24 H new ATOM 0 HA PHE A 595 -12.823 -11.643 7.588 1.00 14.24 H new ATOM 0 HB2 PHE A 595 -13.513 -11.239 9.810 1.00 41.30 H new ATOM 0 HB3 PHE A 595 -15.058 -10.592 9.296 1.00 41.30 H new ATOM 0 HD1 PHE A 595 -13.126 -13.615 8.261 1.00 54.25 H new ATOM 0 HD2 PHE A 595 -16.759 -12.106 9.874 1.00 41.42 H new ATOM 0 HE1 PHE A 595 -14.061 -15.856 8.196 1.00 53.52 H new ATOM 0 HE2 PHE A 595 -17.714 -14.370 9.810 1.00 43.45 H new ATOM 0 HZ PHE A 595 -16.362 -16.248 8.961 1.00 1.13 H new ATOM 249 N ASP A 596 -14.377 -12.247 5.801 1.00 14.22 N ATOM 250 CA ASP A 596 -15.202 -12.532 4.700 1.00 11.31 C ATOM 251 C ASP A 596 -16.012 -13.785 4.934 1.00 14.33 C ATOM 252 O ASP A 596 -15.520 -14.793 5.438 1.00 43.54 O ATOM 253 CB ASP A 596 -14.390 -12.631 3.431 1.00 32.10 C ATOM 254 CG ASP A 596 -13.671 -13.907 3.276 1.00 2.33 C ATOM 255 OD1 ASP A 596 -12.939 -14.335 4.179 1.00 1.23 O ATOM 256 OD2 ASP A 596 -13.883 -14.518 2.265 1.00 54.04 O ATOM 0 H ASP A 596 -13.577 -12.869 5.917 1.00 14.22 H new ATOM 0 HA ASP A 596 -15.904 -11.706 4.583 1.00 11.31 H new ATOM 0 HB2 ASP A 596 -15.053 -12.493 2.577 1.00 32.10 H new ATOM 0 HB3 ASP A 596 -13.668 -11.814 3.409 1.00 32.10 H new ATOM 261 N SER A 597 -17.257 -13.701 4.620 1.00 73.35 N ATOM 262 CA SER A 597 -18.155 -14.800 4.756 1.00 32.33 C ATOM 263 C SER A 597 -17.891 -15.921 3.720 1.00 32.12 C ATOM 264 O SER A 597 -18.215 -17.093 3.967 1.00 64.11 O ATOM 265 CB SER A 597 -19.573 -14.273 4.673 1.00 51.23 C ATOM 266 OG SER A 597 -19.727 -13.475 3.504 1.00 23.55 O ATOM 0 H SER A 597 -17.690 -12.853 4.255 1.00 73.35 H new ATOM 0 HA SER A 597 -17.994 -15.268 5.727 1.00 32.33 H new ATOM 0 HB2 SER A 597 -20.278 -15.104 4.652 1.00 51.23 H new ATOM 0 HB3 SER A 597 -19.803 -13.682 5.560 1.00 51.23 H new ATOM 0 HG SER A 597 -20.646 -13.139 3.456 1.00 23.55 H new ATOM 272 N GLN A 598 -17.276 -15.572 2.584 1.00 0.41 N ATOM 273 CA GLN A 598 -17.079 -16.534 1.517 1.00 24.15 C ATOM 274 C GLN A 598 -15.898 -17.481 1.767 1.00 32.11 C ATOM 275 O GLN A 598 -16.029 -18.699 1.590 1.00 71.35 O ATOM 276 CB GLN A 598 -16.917 -15.826 0.164 1.00 43.15 C ATOM 277 CG GLN A 598 -15.895 -14.709 0.180 1.00 42.31 C ATOM 278 CD GLN A 598 -15.500 -14.197 -1.177 1.00 34.15 C ATOM 279 OE1 GLN A 598 -15.499 -14.934 -2.171 1.00 54.23 O ATOM 280 NE2 GLN A 598 -15.165 -12.946 -1.241 1.00 52.44 N ATOM 0 H GLN A 598 -16.913 -14.639 2.390 1.00 0.41 H new ATOM 0 HA GLN A 598 -17.978 -17.151 1.496 1.00 24.15 H new ATOM 0 HB2 GLN A 598 -16.628 -16.560 -0.588 1.00 43.15 H new ATOM 0 HB3 GLN A 598 -17.881 -15.420 -0.141 1.00 43.15 H new ATOM 0 HG2 GLN A 598 -16.293 -13.879 0.764 1.00 42.31 H new ATOM 0 HG3 GLN A 598 -15.001 -15.061 0.695 1.00 42.31 H new ATOM 0 HE21 GLN A 598 -15.179 -12.371 -0.399 1.00 52.44 H new ATOM 0 HE22 GLN A 598 -14.888 -12.537 -2.134 1.00 52.44 H new ATOM 288 N ALA A 599 -14.775 -16.950 2.203 1.00 14.04 N ATOM 289 CA ALA A 599 -13.612 -17.768 2.470 1.00 60.24 C ATOM 290 C ALA A 599 -13.612 -18.177 3.908 1.00 62.23 C ATOM 291 O ALA A 599 -13.024 -19.198 4.290 1.00 15.32 O ATOM 292 CB ALA A 599 -12.346 -16.957 2.189 1.00 10.41 C ATOM 0 H ALA A 599 -14.643 -15.954 2.380 1.00 14.04 H new ATOM 0 HA ALA A 599 -13.638 -18.651 1.832 1.00 60.24 H new ATOM 0 HB1 ALA A 599 -11.468 -17.571 2.390 1.00 10.41 H new ATOM 0 HB2 ALA A 599 -12.339 -16.644 1.145 1.00 10.41 H new ATOM 0 HB3 ALA A 599 -12.327 -16.077 2.832 1.00 10.41 H new ATOM 298 N GLY A 600 -14.332 -17.415 4.697 1.00 0.21 N ATOM 299 CA GLY A 600 -14.422 -17.673 6.091 1.00 10.12 C ATOM 300 C GLY A 600 -13.129 -17.347 6.787 1.00 54.05 C ATOM 301 O GLY A 600 -12.775 -17.986 7.784 1.00 54.50 O ATOM 0 H GLY A 600 -14.865 -16.605 4.380 1.00 0.21 H new ATOM 0 HA2 GLY A 600 -15.230 -17.081 6.522 1.00 10.12 H new ATOM 0 HA3 GLY A 600 -14.672 -18.721 6.255 1.00 10.12 H new ATOM 305 N PHE A 601 -12.414 -16.357 6.292 1.00 32.21 N ATOM 306 CA PHE A 601 -11.158 -16.008 6.898 1.00 63.33 C ATOM 307 C PHE A 601 -11.117 -14.562 7.275 1.00 53.11 C ATOM 308 O PHE A 601 -11.512 -13.689 6.514 1.00 51.15 O ATOM 309 CB PHE A 601 -9.952 -16.375 6.022 1.00 33.21 C ATOM 310 CG PHE A 601 -9.745 -17.849 5.805 1.00 73.20 C ATOM 311 CD1 PHE A 601 -9.353 -18.666 6.853 1.00 11.04 C ATOM 312 CD2 PHE A 601 -9.921 -18.411 4.558 1.00 35.12 C ATOM 313 CE1 PHE A 601 -9.148 -20.018 6.658 1.00 21.43 C ATOM 314 CE2 PHE A 601 -9.719 -19.760 4.353 1.00 3.24 C ATOM 315 CZ PHE A 601 -9.333 -20.567 5.404 1.00 40.02 C ATOM 0 H PHE A 601 -12.680 -15.792 5.485 1.00 32.21 H new ATOM 0 HA PHE A 601 -11.083 -16.604 7.807 1.00 63.33 H new ATOM 0 HB2 PHE A 601 -10.068 -15.894 5.051 1.00 33.21 H new ATOM 0 HB3 PHE A 601 -9.052 -15.961 6.478 1.00 33.21 H new ATOM 0 HD1 PHE A 601 -9.206 -18.240 7.835 1.00 11.04 H new ATOM 0 HD2 PHE A 601 -10.221 -17.786 3.730 1.00 35.12 H new ATOM 0 HE1 PHE A 601 -8.844 -20.644 7.484 1.00 21.43 H new ATOM 0 HE2 PHE A 601 -9.863 -20.185 3.370 1.00 3.24 H new ATOM 0 HZ PHE A 601 -9.176 -21.624 5.247 1.00 40.02 H new ATOM 325 N SER A 602 -10.668 -14.311 8.452 1.00 4.45 N ATOM 326 CA SER A 602 -10.551 -12.984 8.910 1.00 33.14 C ATOM 327 C SER A 602 -9.099 -12.548 8.814 1.00 54.14 C ATOM 328 O SER A 602 -8.195 -13.266 9.245 1.00 45.40 O ATOM 329 CB SER A 602 -11.105 -12.890 10.328 1.00 24.35 C ATOM 330 OG SER A 602 -10.458 -13.815 11.199 1.00 52.15 O ATOM 0 H SER A 602 -10.373 -15.023 9.120 1.00 4.45 H new ATOM 0 HA SER A 602 -11.135 -12.304 8.290 1.00 33.14 H new ATOM 0 HB2 SER A 602 -10.972 -11.877 10.706 1.00 24.35 H new ATOM 0 HB3 SER A 602 -12.177 -13.087 10.316 1.00 24.35 H new ATOM 0 HG SER A 602 -9.534 -13.952 10.903 1.00 52.15 H new ATOM 336 N PHE A 603 -8.881 -11.406 8.237 1.00 74.12 N ATOM 337 CA PHE A 603 -7.562 -10.892 8.035 1.00 75.34 C ATOM 338 C PHE A 603 -7.402 -9.492 8.614 1.00 11.41 C ATOM 339 O PHE A 603 -8.146 -8.567 8.266 1.00 53.11 O ATOM 340 CB PHE A 603 -7.186 -10.919 6.536 1.00 42.23 C ATOM 341 CG PHE A 603 -6.961 -12.311 5.964 1.00 42.45 C ATOM 342 CD1 PHE A 603 -5.725 -12.911 6.101 1.00 71.33 C ATOM 343 CD2 PHE A 603 -7.965 -13.015 5.279 1.00 65.34 C ATOM 344 CE1 PHE A 603 -5.476 -14.165 5.588 1.00 4.10 C ATOM 345 CE2 PHE A 603 -7.704 -14.270 4.766 1.00 5.23 C ATOM 346 CZ PHE A 603 -6.463 -14.842 4.921 1.00 24.42 C ATOM 0 H PHE A 603 -9.623 -10.798 7.889 1.00 74.12 H new ATOM 0 HA PHE A 603 -6.873 -11.543 8.573 1.00 75.34 H new ATOM 0 HB2 PHE A 603 -7.977 -10.431 5.968 1.00 42.23 H new ATOM 0 HB3 PHE A 603 -6.280 -10.330 6.392 1.00 42.23 H new ATOM 0 HD1 PHE A 603 -4.937 -12.386 6.621 1.00 71.33 H new ATOM 0 HD2 PHE A 603 -8.943 -12.574 5.153 1.00 65.34 H new ATOM 0 HE1 PHE A 603 -4.502 -14.615 5.712 1.00 4.10 H new ATOM 0 HE2 PHE A 603 -8.480 -14.806 4.239 1.00 5.23 H new ATOM 0 HZ PHE A 603 -6.267 -15.824 4.517 1.00 24.42 H new ATOM 356 N ASP A 604 -6.452 -9.360 9.518 1.00 23.15 N ATOM 357 CA ASP A 604 -6.110 -8.086 10.131 1.00 43.10 C ATOM 358 C ASP A 604 -4.801 -7.596 9.561 1.00 2.05 C ATOM 359 O ASP A 604 -3.765 -8.255 9.668 1.00 54.34 O ATOM 360 CB ASP A 604 -6.033 -8.190 11.686 1.00 54.13 C ATOM 361 CG ASP A 604 -4.960 -9.125 12.214 1.00 23.32 C ATOM 362 OD1 ASP A 604 -5.198 -10.359 12.261 1.00 41.43 O ATOM 363 OD2 ASP A 604 -3.888 -8.653 12.612 1.00 54.13 O ATOM 0 H ASP A 604 -5.888 -10.141 9.853 1.00 23.15 H new ATOM 0 HA ASP A 604 -6.899 -7.370 9.902 1.00 43.10 H new ATOM 0 HB2 ASP A 604 -5.859 -7.194 12.094 1.00 54.13 H new ATOM 0 HB3 ASP A 604 -7.001 -8.523 12.061 1.00 54.13 H new ATOM 368 N LEU A 605 -4.856 -6.479 8.898 1.00 32.35 N ATOM 369 CA LEU A 605 -3.671 -5.857 8.345 1.00 13.13 C ATOM 370 C LEU A 605 -3.298 -4.663 9.207 1.00 10.32 C ATOM 371 O LEU A 605 -2.471 -3.836 8.859 1.00 64.24 O ATOM 372 CB LEU A 605 -3.873 -5.460 6.869 1.00 1.12 C ATOM 373 CG LEU A 605 -3.892 -6.596 5.808 1.00 20.03 C ATOM 374 CD1 LEU A 605 -2.560 -7.329 5.766 1.00 65.04 C ATOM 375 CD2 LEU A 605 -5.031 -7.585 6.019 1.00 41.15 C ATOM 0 H LEU A 605 -5.720 -5.967 8.721 1.00 32.35 H new ATOM 0 HA LEU A 605 -2.850 -6.573 8.354 1.00 13.13 H new ATOM 0 HB2 LEU A 605 -4.815 -4.917 6.794 1.00 1.12 H new ATOM 0 HB3 LEU A 605 -3.080 -4.762 6.598 1.00 1.12 H new ATOM 0 HG LEU A 605 -4.062 -6.111 4.847 1.00 20.03 H new ATOM 0 HD11 LEU A 605 -2.602 -8.118 5.015 1.00 65.04 H new ATOM 0 HD12 LEU A 605 -1.766 -6.627 5.510 1.00 65.04 H new ATOM 0 HD13 LEU A 605 -2.355 -7.768 6.742 1.00 65.04 H new ATOM 0 HD21 LEU A 605 -4.992 -8.355 5.248 1.00 41.15 H new ATOM 0 HD22 LEU A 605 -4.933 -8.049 7.000 1.00 41.15 H new ATOM 0 HD23 LEU A 605 -5.984 -7.060 5.960 1.00 41.15 H new ATOM 383 N THR A 606 -3.903 -4.652 10.353 1.00 20.32 N ATOM 384 CA THR A 606 -3.778 -3.667 11.372 1.00 42.14 C ATOM 385 C THR A 606 -2.291 -3.489 11.874 1.00 22.32 C ATOM 386 O THR A 606 -1.834 -2.353 12.038 1.00 75.23 O ATOM 387 CB THR A 606 -4.672 -4.113 12.526 1.00 55.11 C ATOM 388 OG1 THR A 606 -5.865 -4.686 11.962 1.00 64.51 O ATOM 389 CG2 THR A 606 -5.088 -2.939 13.341 1.00 12.43 C ATOM 0 H THR A 606 -4.550 -5.395 10.618 1.00 20.32 H new ATOM 0 HA THR A 606 -4.076 -2.697 10.974 1.00 42.14 H new ATOM 0 HB THR A 606 -4.128 -4.822 13.150 1.00 55.11 H new ATOM 0 HG1 THR A 606 -6.458 -4.983 12.684 1.00 64.51 H new ATOM 0 HG21 THR A 606 -5.725 -3.272 14.160 1.00 12.43 H new ATOM 0 HG22 THR A 606 -4.204 -2.446 13.746 1.00 12.43 H new ATOM 0 HG23 THR A 606 -5.640 -2.238 12.714 1.00 12.43 H new ATOM 395 N PRO A 607 -1.498 -4.605 12.127 1.00 33.00 N ATOM 396 CA PRO A 607 -0.089 -4.479 12.562 1.00 11.24 C ATOM 397 C PRO A 607 0.770 -3.848 11.477 1.00 63.53 C ATOM 398 O PRO A 607 1.840 -3.304 11.742 1.00 70.52 O ATOM 399 CB PRO A 607 0.359 -5.933 12.794 1.00 23.43 C ATOM 400 CG PRO A 607 -0.899 -6.707 12.932 1.00 33.51 C ATOM 401 CD PRO A 607 -1.893 -6.033 12.045 1.00 23.24 C ATOM 0 HA PRO A 607 0.010 -3.846 13.444 1.00 11.24 H new ATOM 0 HB2 PRO A 607 0.958 -6.299 11.960 1.00 23.43 H new ATOM 0 HB3 PRO A 607 0.974 -6.018 13.690 1.00 23.43 H new ATOM 0 HG2 PRO A 607 -0.753 -7.746 12.636 1.00 33.51 H new ATOM 0 HG3 PRO A 607 -1.241 -6.715 13.967 1.00 33.51 H new ATOM 0 HD2 PRO A 607 -1.842 -6.408 11.023 1.00 23.24 H new ATOM 0 HD3 PRO A 607 -2.915 -6.190 12.391 1.00 23.24 H new ATOM 409 N LEU A 608 0.272 -3.909 10.267 1.00 34.34 N ATOM 410 CA LEU A 608 0.965 -3.424 9.097 1.00 41.13 C ATOM 411 C LEU A 608 0.857 -1.908 8.972 1.00 65.40 C ATOM 412 O LEU A 608 1.567 -1.289 8.181 1.00 34.52 O ATOM 413 CB LEU A 608 0.439 -4.123 7.822 1.00 4.42 C ATOM 414 CG LEU A 608 0.736 -5.635 7.655 1.00 71.32 C ATOM 415 CD1 LEU A 608 2.209 -5.904 7.733 1.00 71.30 C ATOM 416 CD2 LEU A 608 -0.014 -6.494 8.659 1.00 61.32 C ATOM 0 H LEU A 608 -0.645 -4.305 10.063 1.00 34.34 H new ATOM 0 HA LEU A 608 2.021 -3.668 9.211 1.00 41.13 H new ATOM 0 HB2 LEU A 608 -0.642 -3.988 7.787 1.00 4.42 H new ATOM 0 HB3 LEU A 608 0.854 -3.602 6.959 1.00 4.42 H new ATOM 0 HG LEU A 608 0.377 -5.914 6.664 1.00 71.32 H new ATOM 0 HD11 LEU A 608 2.391 -6.972 7.613 1.00 71.30 H new ATOM 0 HD12 LEU A 608 2.721 -5.358 6.941 1.00 71.30 H new ATOM 0 HD13 LEU A 608 2.588 -5.578 8.702 1.00 71.30 H new ATOM 0 HD21 LEU A 608 0.232 -7.543 8.496 1.00 61.32 H new ATOM 0 HD22 LEU A 608 0.274 -6.207 9.670 1.00 61.32 H new ATOM 0 HD23 LEU A 608 -1.087 -6.349 8.532 1.00 61.32 H new ATOM 424 N THR A 609 -0.028 -1.330 9.745 1.00 3.54 N ATOM 425 CA THR A 609 -0.228 0.096 9.770 1.00 53.25 C ATOM 426 C THR A 609 0.927 0.779 10.507 1.00 73.33 C ATOM 427 O THR A 609 1.112 0.591 11.717 1.00 14.22 O ATOM 428 CB THR A 609 -1.549 0.413 10.478 1.00 14.14 C ATOM 429 OG1 THR A 609 -2.617 -0.306 9.845 1.00 3.51 O ATOM 430 CG2 THR A 609 -1.841 1.890 10.441 1.00 20.12 C ATOM 0 H THR A 609 -0.637 -1.843 10.382 1.00 3.54 H new ATOM 0 HA THR A 609 -0.262 0.469 8.746 1.00 53.25 H new ATOM 0 HB THR A 609 -1.464 0.107 11.521 1.00 14.14 H new ATOM 0 HG1 THR A 609 -3.108 0.296 9.248 1.00 3.51 H new ATOM 0 HG21 THR A 609 -2.784 2.087 10.950 1.00 20.12 H new ATOM 0 HG22 THR A 609 -1.038 2.432 10.941 1.00 20.12 H new ATOM 0 HG23 THR A 609 -1.912 2.221 9.405 1.00 20.12 H new ATOM 436 N LYS A 610 1.672 1.581 9.781 1.00 54.44 N ATOM 437 CA LYS A 610 2.826 2.252 10.315 1.00 23.14 C ATOM 438 C LYS A 610 2.583 3.724 10.536 1.00 13.13 C ATOM 439 O LYS A 610 1.893 4.372 9.763 1.00 42.50 O ATOM 440 CB LYS A 610 4.002 2.131 9.378 1.00 11.21 C ATOM 441 CG LYS A 610 4.637 0.769 9.258 1.00 55.33 C ATOM 442 CD LYS A 610 5.789 0.823 8.254 1.00 60.11 C ATOM 443 CE LYS A 610 6.871 1.802 8.660 1.00 72.44 C ATOM 444 NZ LYS A 610 7.923 1.909 7.630 1.00 44.21 N ATOM 0 H LYS A 610 1.490 1.785 8.798 1.00 54.44 H new ATOM 0 HA LYS A 610 3.034 1.768 11.269 1.00 23.14 H new ATOM 0 HB2 LYS A 610 3.679 2.444 8.385 1.00 11.21 H new ATOM 0 HB3 LYS A 610 4.768 2.836 9.701 1.00 11.21 H new ATOM 0 HG2 LYS A 610 5.005 0.442 10.231 1.00 55.33 H new ATOM 0 HG3 LYS A 610 3.895 0.039 8.936 1.00 55.33 H new ATOM 0 HD2 LYS A 610 6.224 -0.171 8.152 1.00 60.11 H new ATOM 0 HD3 LYS A 610 5.400 1.103 7.275 1.00 60.11 H new ATOM 0 HE2 LYS A 610 6.428 2.783 8.832 1.00 72.44 H new ATOM 0 HE3 LYS A 610 7.315 1.483 9.603 1.00 72.44 H new ATOM 0 HZ1 LYS A 610 8.782 2.315 8.052 1.00 44.21 H new ATOM 0 HZ2 LYS A 610 8.136 0.964 7.252 1.00 44.21 H new ATOM 0 HZ3 LYS A 610 7.593 2.523 6.859 1.00 44.21 H new ATOM 458 N LYS A 611 3.167 4.245 11.597 1.00 42.44 N ATOM 459 CA LYS A 611 3.151 5.680 11.875 1.00 34.02 C ATOM 460 C LYS A 611 4.054 6.393 10.889 1.00 42.22 C ATOM 461 O LYS A 611 3.820 7.526 10.518 1.00 13.24 O ATOM 462 CB LYS A 611 3.623 5.992 13.305 1.00 42.04 C ATOM 463 CG LYS A 611 2.640 5.758 14.482 1.00 14.10 C ATOM 464 CD LYS A 611 2.123 4.318 14.668 1.00 3.43 C ATOM 465 CE LYS A 611 1.005 3.951 13.691 1.00 23.23 C ATOM 466 NZ LYS A 611 0.574 2.543 13.846 1.00 71.53 N ATOM 0 H LYS A 611 3.667 3.692 12.294 1.00 42.44 H new ATOM 0 HA LYS A 611 2.123 6.027 11.775 1.00 34.02 H new ATOM 0 HB2 LYS A 611 4.515 5.396 13.496 1.00 42.04 H new ATOM 0 HB3 LYS A 611 3.927 7.038 13.332 1.00 42.04 H new ATOM 0 HG2 LYS A 611 3.132 6.066 15.404 1.00 14.10 H new ATOM 0 HG3 LYS A 611 1.781 6.414 14.345 1.00 14.10 H new ATOM 0 HD2 LYS A 611 2.952 3.622 14.541 1.00 3.43 H new ATOM 0 HD3 LYS A 611 1.760 4.198 15.689 1.00 3.43 H new ATOM 0 HE2 LYS A 611 0.152 4.611 13.851 1.00 23.23 H new ATOM 0 HE3 LYS A 611 1.348 4.115 12.669 1.00 23.23 H new ATOM 0 HZ1 LYS A 611 0.832 2.005 12.994 1.00 71.53 H new ATOM 0 HZ2 LYS A 611 1.044 2.125 14.674 1.00 71.53 H new ATOM 0 HZ3 LYS A 611 -0.457 2.508 13.979 1.00 71.53 H new ATOM 480 N ASP A 612 5.101 5.706 10.499 1.00 13.14 N ATOM 481 CA ASP A 612 6.069 6.230 9.519 1.00 53.32 C ATOM 482 C ASP A 612 5.553 6.043 8.101 1.00 5.05 C ATOM 483 O ASP A 612 6.006 6.719 7.174 1.00 53.43 O ATOM 484 CB ASP A 612 7.446 5.539 9.645 1.00 14.24 C ATOM 485 CG ASP A 612 8.090 5.699 11.004 1.00 23.20 C ATOM 486 OD1 ASP A 612 8.658 6.767 11.289 1.00 51.33 O ATOM 487 OD2 ASP A 612 8.049 4.741 11.808 1.00 25.24 O ATOM 0 H ASP A 612 5.320 4.770 10.840 1.00 13.14 H new ATOM 0 HA ASP A 612 6.190 7.292 9.733 1.00 53.32 H new ATOM 0 HB2 ASP A 612 7.329 4.476 9.432 1.00 14.24 H new ATOM 0 HB3 ASP A 612 8.116 5.944 8.886 1.00 14.24 H new ATOM 492 N ALA A 613 4.594 5.116 7.959 1.00 65.50 N ATOM 493 CA ALA A 613 3.972 4.736 6.678 1.00 34.35 C ATOM 494 C ALA A 613 4.959 4.035 5.727 1.00 13.20 C ATOM 495 O ALA A 613 6.098 3.713 6.108 1.00 52.52 O ATOM 496 CB ALA A 613 3.310 5.934 6.010 1.00 54.24 C ATOM 0 H ALA A 613 4.219 4.595 8.752 1.00 65.50 H new ATOM 0 HA ALA A 613 3.195 4.008 6.909 1.00 34.35 H new ATOM 0 HB1 ALA A 613 2.860 5.622 5.067 1.00 54.24 H new ATOM 0 HB2 ALA A 613 2.537 6.335 6.666 1.00 54.24 H new ATOM 0 HB3 ALA A 613 4.058 6.703 5.818 1.00 54.24 H new ATOM 502 N TYR A 614 4.490 3.738 4.531 1.00 23.24 N ATOM 503 CA TYR A 614 5.297 3.114 3.498 1.00 1.43 C ATOM 504 C TYR A 614 5.468 4.060 2.326 1.00 64.41 C ATOM 505 O TYR A 614 4.518 4.752 1.931 1.00 3.15 O ATOM 506 CB TYR A 614 4.622 1.817 2.995 1.00 73.22 C ATOM 507 CG TYR A 614 4.533 0.707 4.024 1.00 21.31 C ATOM 508 CD1 TYR A 614 3.655 0.793 5.092 1.00 2.54 C ATOM 509 CD2 TYR A 614 5.340 -0.428 3.928 1.00 32.15 C ATOM 510 CE1 TYR A 614 3.579 -0.196 6.025 1.00 14.24 C ATOM 511 CE2 TYR A 614 5.273 -1.433 4.863 1.00 71.42 C ATOM 512 CZ TYR A 614 4.389 -1.314 5.916 1.00 31.41 C ATOM 513 OH TYR A 614 4.314 -2.303 6.866 1.00 65.24 O ATOM 0 H TYR A 614 3.529 3.924 4.245 1.00 23.24 H new ATOM 0 HA TYR A 614 6.271 2.876 3.926 1.00 1.43 H new ATOM 0 HB2 TYR A 614 3.616 2.057 2.652 1.00 73.22 H new ATOM 0 HB3 TYR A 614 5.174 1.448 2.130 1.00 73.22 H new ATOM 0 HD1 TYR A 614 3.019 1.661 5.186 1.00 2.54 H new ATOM 0 HD2 TYR A 614 6.031 -0.518 3.103 1.00 32.15 H new ATOM 0 HE1 TYR A 614 2.887 -0.109 6.850 1.00 14.24 H new ATOM 0 HE2 TYR A 614 5.904 -2.305 4.775 1.00 71.42 H new ATOM 0 HH TYR A 614 3.507 -2.176 7.408 1.00 65.24 H new ATOM 523 N LYS A 615 6.664 4.114 1.783 1.00 75.40 N ATOM 524 CA LYS A 615 6.905 4.893 0.595 1.00 54.02 C ATOM 525 C LYS A 615 7.298 3.968 -0.549 1.00 73.43 C ATOM 526 O LYS A 615 8.187 3.125 -0.409 1.00 61.43 O ATOM 527 CB LYS A 615 8.016 5.951 0.775 1.00 44.23 C ATOM 528 CG LYS A 615 8.256 6.776 -0.490 1.00 12.43 C ATOM 529 CD LYS A 615 9.657 7.421 -0.513 1.00 71.23 C ATOM 530 CE LYS A 615 9.961 8.330 0.663 1.00 52.43 C ATOM 531 NZ LYS A 615 11.311 8.943 0.553 1.00 61.24 N ATOM 0 H LYS A 615 7.483 3.627 2.147 1.00 75.40 H new ATOM 0 HA LYS A 615 5.978 5.423 0.378 1.00 54.02 H new ATOM 0 HB2 LYS A 615 7.747 6.619 1.594 1.00 44.23 H new ATOM 0 HB3 LYS A 615 8.943 5.454 1.061 1.00 44.23 H new ATOM 0 HG2 LYS A 615 8.139 6.137 -1.365 1.00 12.43 H new ATOM 0 HG3 LYS A 615 7.498 7.556 -0.561 1.00 12.43 H new ATOM 0 HD2 LYS A 615 10.405 6.629 -0.544 1.00 71.23 H new ATOM 0 HD3 LYS A 615 9.762 7.995 -1.434 1.00 71.23 H new ATOM 0 HE2 LYS A 615 9.208 9.116 0.719 1.00 52.43 H new ATOM 0 HE3 LYS A 615 9.895 7.760 1.590 1.00 52.43 H new ATOM 0 HZ1 LYS A 615 11.481 9.557 1.375 1.00 61.24 H new ATOM 0 HZ2 LYS A 615 12.031 8.193 0.525 1.00 61.24 H new ATOM 0 HZ3 LYS A 615 11.366 9.508 -0.318 1.00 61.24 H new ATOM 545 N VAL A 616 6.631 4.117 -1.640 1.00 54.40 N ATOM 546 CA VAL A 616 6.942 3.404 -2.851 1.00 45.31 C ATOM 547 C VAL A 616 7.661 4.388 -3.741 1.00 73.31 C ATOM 548 O VAL A 616 7.259 5.546 -3.823 1.00 22.12 O ATOM 549 CB VAL A 616 5.657 2.948 -3.569 1.00 63.02 C ATOM 550 CG1 VAL A 616 5.978 2.106 -4.795 1.00 22.42 C ATOM 551 CG2 VAL A 616 4.731 2.210 -2.624 1.00 2.24 C ATOM 0 H VAL A 616 5.835 4.749 -1.728 1.00 54.40 H new ATOM 0 HA VAL A 616 7.538 2.519 -2.628 1.00 45.31 H new ATOM 0 HB VAL A 616 5.136 3.843 -3.910 1.00 63.02 H new ATOM 0 HG11 VAL A 616 5.051 1.800 -5.279 1.00 22.42 H new ATOM 0 HG12 VAL A 616 6.575 2.693 -5.493 1.00 22.42 H new ATOM 0 HG13 VAL A 616 6.538 1.221 -4.492 1.00 22.42 H new ATOM 0 HG21 VAL A 616 3.834 1.902 -3.161 1.00 2.24 H new ATOM 0 HG22 VAL A 616 5.239 1.330 -2.230 1.00 2.24 H new ATOM 0 HG23 VAL A 616 4.453 2.867 -1.800 1.00 2.24 H new ATOM 557 N GLU A 617 8.698 3.969 -4.380 1.00 24.11 N ATOM 558 CA GLU A 617 9.476 4.878 -5.177 1.00 15.44 C ATOM 559 C GLU A 617 9.491 4.491 -6.630 1.00 24.21 C ATOM 560 O GLU A 617 9.506 3.302 -6.977 1.00 32.35 O ATOM 561 CB GLU A 617 10.898 4.991 -4.635 1.00 24.40 C ATOM 562 CG GLU A 617 10.965 5.540 -3.226 1.00 45.24 C ATOM 563 CD GLU A 617 12.365 5.635 -2.702 1.00 34.54 C ATOM 564 OE1 GLU A 617 13.038 6.657 -2.958 1.00 62.20 O ATOM 565 OE2 GLU A 617 12.809 4.715 -2.013 1.00 21.31 O ATOM 0 H GLU A 617 9.034 3.006 -4.372 1.00 24.11 H new ATOM 0 HA GLU A 617 8.996 5.854 -5.109 1.00 15.44 H new ATOM 0 HB2 GLU A 617 11.366 4.007 -4.656 1.00 24.40 H new ATOM 0 HB3 GLU A 617 11.480 5.634 -5.295 1.00 24.40 H new ATOM 0 HG2 GLU A 617 10.507 6.529 -3.205 1.00 45.24 H new ATOM 0 HG3 GLU A 617 10.378 4.903 -2.565 1.00 45.24 H new ATOM 572 N THR A 618 9.462 5.490 -7.472 1.00 10.40 N ATOM 573 CA THR A 618 9.572 5.315 -8.884 1.00 1.41 C ATOM 574 C THR A 618 10.736 6.192 -9.306 1.00 33.43 C ATOM 575 O THR A 618 11.549 6.577 -8.436 1.00 12.31 O ATOM 576 CB THR A 618 8.262 5.739 -9.612 1.00 63.12 C ATOM 577 OG1 THR A 618 7.981 7.104 -9.353 1.00 33.12 O ATOM 578 CG2 THR A 618 7.085 4.904 -9.143 1.00 33.53 C ATOM 0 H THR A 618 9.359 6.463 -7.184 1.00 10.40 H new ATOM 0 HA THR A 618 9.734 4.270 -9.146 1.00 1.41 H new ATOM 0 HB THR A 618 8.410 5.583 -10.681 1.00 63.12 H new ATOM 0 HG1 THR A 618 8.084 7.283 -8.395 1.00 33.12 H new ATOM 0 HG21 THR A 618 6.183 5.220 -9.667 1.00 33.53 H new ATOM 0 HG22 THR A 618 7.278 3.852 -9.355 1.00 33.53 H new ATOM 0 HG23 THR A 618 6.948 5.039 -8.070 1.00 33.53 H new ATOM 584 N ASP A 619 10.851 6.522 -10.569 1.00 0.30 N ATOM 585 CA ASP A 619 11.970 7.337 -10.999 1.00 71.42 C ATOM 586 C ASP A 619 11.852 8.757 -10.474 1.00 73.44 C ATOM 587 O ASP A 619 12.802 9.297 -9.909 1.00 72.01 O ATOM 588 CB ASP A 619 12.134 7.347 -12.519 1.00 22.41 C ATOM 589 CG ASP A 619 13.372 8.109 -12.943 1.00 21.15 C ATOM 590 OD1 ASP A 619 14.500 7.603 -12.735 1.00 71.13 O ATOM 591 OD2 ASP A 619 13.248 9.210 -13.505 1.00 62.21 O ATOM 0 H ASP A 619 10.201 6.248 -11.306 1.00 0.30 H new ATOM 0 HA ASP A 619 12.864 6.880 -10.575 1.00 71.42 H new ATOM 0 HB2 ASP A 619 12.194 6.322 -12.885 1.00 22.41 H new ATOM 0 HB3 ASP A 619 11.254 7.798 -12.977 1.00 22.41 H new ATOM 596 N LYS A 620 10.683 9.361 -10.623 1.00 54.03 N ATOM 597 CA LYS A 620 10.522 10.744 -10.192 1.00 10.30 C ATOM 598 C LYS A 620 9.378 10.945 -9.219 1.00 13.00 C ATOM 599 O LYS A 620 9.138 12.071 -8.759 1.00 13.35 O ATOM 600 CB LYS A 620 10.344 11.692 -11.374 1.00 53.14 C ATOM 601 CG LYS A 620 11.475 11.685 -12.379 1.00 13.22 C ATOM 602 CD LYS A 620 11.279 12.751 -13.447 1.00 24.12 C ATOM 603 CE LYS A 620 9.962 12.592 -14.196 1.00 52.54 C ATOM 604 NZ LYS A 620 9.754 13.672 -15.175 1.00 72.12 N ATOM 0 H LYS A 620 9.851 8.931 -11.028 1.00 54.03 H new ATOM 0 HA LYS A 620 11.449 10.981 -9.670 1.00 10.30 H new ATOM 0 HB2 LYS A 620 9.419 11.435 -11.890 1.00 53.14 H new ATOM 0 HB3 LYS A 620 10.225 12.706 -10.992 1.00 53.14 H new ATOM 0 HG2 LYS A 620 12.421 11.854 -11.865 1.00 13.22 H new ATOM 0 HG3 LYS A 620 11.539 10.704 -12.850 1.00 13.22 H new ATOM 0 HD2 LYS A 620 11.312 13.736 -12.982 1.00 24.12 H new ATOM 0 HD3 LYS A 620 12.105 12.705 -14.157 1.00 24.12 H new ATOM 0 HE2 LYS A 620 9.949 11.630 -14.708 1.00 52.54 H new ATOM 0 HE3 LYS A 620 9.137 12.584 -13.483 1.00 52.54 H new ATOM 0 HZ1 LYS A 620 8.847 13.528 -15.664 1.00 72.12 H new ATOM 0 HZ2 LYS A 620 9.740 14.588 -14.683 1.00 72.12 H new ATOM 0 HZ3 LYS A 620 10.527 13.664 -15.871 1.00 72.12 H new ATOM 618 N TYR A 621 8.678 9.912 -8.901 1.00 34.34 N ATOM 619 CA TYR A 621 7.572 10.041 -7.990 1.00 73.43 C ATOM 620 C TYR A 621 7.713 9.073 -6.846 1.00 24.31 C ATOM 621 O TYR A 621 8.373 8.036 -6.965 1.00 54.12 O ATOM 622 CB TYR A 621 6.221 9.871 -8.729 1.00 1.34 C ATOM 623 CG TYR A 621 5.959 10.963 -9.763 1.00 64.11 C ATOM 624 CD1 TYR A 621 6.588 10.943 -11.003 1.00 73.41 C ATOM 625 CD2 TYR A 621 5.113 12.019 -9.483 1.00 74.52 C ATOM 626 CE1 TYR A 621 6.381 11.938 -11.930 1.00 43.52 C ATOM 627 CE2 TYR A 621 4.899 13.027 -10.410 1.00 25.31 C ATOM 628 CZ TYR A 621 5.535 12.980 -11.628 1.00 62.10 C ATOM 629 OH TYR A 621 5.332 13.994 -12.552 1.00 22.43 O ATOM 0 H TYR A 621 8.843 8.968 -9.251 1.00 34.34 H new ATOM 0 HA TYR A 621 7.583 11.047 -7.572 1.00 73.43 H new ATOM 0 HB2 TYR A 621 6.205 8.900 -9.224 1.00 1.34 H new ATOM 0 HB3 TYR A 621 5.412 9.870 -7.998 1.00 1.34 H new ATOM 0 HD1 TYR A 621 7.254 10.128 -11.244 1.00 73.41 H new ATOM 0 HD2 TYR A 621 4.611 12.060 -8.528 1.00 74.52 H new ATOM 0 HE1 TYR A 621 6.879 11.901 -12.888 1.00 43.52 H new ATOM 0 HE2 TYR A 621 4.235 13.846 -10.176 1.00 25.31 H new ATOM 0 HH TYR A 621 4.706 14.652 -12.184 1.00 22.43 H new ATOM 639 N GLU A 622 7.152 9.415 -5.750 1.00 40.41 N ATOM 640 CA GLU A 622 7.160 8.575 -4.609 1.00 64.24 C ATOM 641 C GLU A 622 5.766 8.562 -4.054 1.00 24.30 C ATOM 642 O GLU A 622 5.082 9.599 -4.011 1.00 61.13 O ATOM 643 CB GLU A 622 8.172 9.057 -3.562 1.00 72.34 C ATOM 644 CG GLU A 622 7.846 10.407 -2.996 1.00 51.15 C ATOM 645 CD GLU A 622 8.872 10.924 -2.028 1.00 63.35 C ATOM 646 OE1 GLU A 622 9.815 11.609 -2.449 1.00 62.14 O ATOM 647 OE2 GLU A 622 8.733 10.666 -0.818 1.00 70.32 O ATOM 0 H GLU A 622 6.665 10.301 -5.615 1.00 40.41 H new ATOM 0 HA GLU A 622 7.468 7.567 -4.886 1.00 64.24 H new ATOM 0 HB2 GLU A 622 8.216 8.332 -2.750 1.00 72.34 H new ATOM 0 HB3 GLU A 622 9.163 9.090 -4.014 1.00 72.34 H new ATOM 0 HG2 GLU A 622 7.742 11.118 -3.815 1.00 51.15 H new ATOM 0 HG3 GLU A 622 6.880 10.356 -2.494 1.00 51.15 H new ATOM 654 N PHE A 623 5.329 7.434 -3.678 1.00 34.20 N ATOM 655 CA PHE A 623 4.004 7.300 -3.205 1.00 44.44 C ATOM 656 C PHE A 623 4.041 6.912 -1.746 1.00 24.44 C ATOM 657 O PHE A 623 4.699 5.956 -1.381 1.00 43.41 O ATOM 658 CB PHE A 623 3.243 6.226 -4.016 1.00 51.31 C ATOM 659 CG PHE A 623 3.166 6.458 -5.524 1.00 34.34 C ATOM 660 CD1 PHE A 623 4.275 6.259 -6.333 1.00 12.53 C ATOM 661 CD2 PHE A 623 1.981 6.856 -6.128 1.00 34.44 C ATOM 662 CE1 PHE A 623 4.206 6.455 -7.696 1.00 11.10 C ATOM 663 CE2 PHE A 623 1.910 7.052 -7.491 1.00 24.34 C ATOM 664 CZ PHE A 623 3.025 6.854 -8.275 1.00 61.25 C ATOM 0 H PHE A 623 5.873 6.571 -3.686 1.00 34.20 H new ATOM 0 HA PHE A 623 3.483 8.250 -3.324 1.00 44.44 H new ATOM 0 HB2 PHE A 623 3.719 5.261 -3.840 1.00 51.31 H new ATOM 0 HB3 PHE A 623 2.227 6.156 -3.626 1.00 51.31 H new ATOM 0 HD1 PHE A 623 5.208 5.945 -5.888 1.00 12.53 H new ATOM 0 HD2 PHE A 623 1.102 7.014 -5.521 1.00 34.44 H new ATOM 0 HE1 PHE A 623 5.081 6.295 -8.309 1.00 11.10 H new ATOM 0 HE2 PHE A 623 0.980 7.361 -7.944 1.00 24.34 H new ATOM 0 HZ PHE A 623 2.971 7.012 -9.342 1.00 61.25 H new ATOM 674 N HIS A 624 3.376 7.650 -0.925 1.00 63.25 N ATOM 675 CA HIS A 624 3.280 7.310 0.470 1.00 20.42 C ATOM 676 C HIS A 624 1.921 6.818 0.756 1.00 74.12 C ATOM 677 O HIS A 624 0.935 7.510 0.505 1.00 44.54 O ATOM 678 CB HIS A 624 3.564 8.507 1.367 1.00 22.45 C ATOM 679 CG HIS A 624 4.953 8.977 1.311 1.00 3.14 C ATOM 680 ND1 HIS A 624 5.906 8.531 2.170 1.00 42.03 N ATOM 681 CD2 HIS A 624 5.565 9.859 0.494 1.00 45.12 C ATOM 682 CE1 HIS A 624 7.034 9.097 1.903 1.00 14.25 C ATOM 683 NE2 HIS A 624 6.864 9.916 0.885 1.00 12.32 N ATOM 0 H HIS A 624 2.883 8.503 -1.190 1.00 63.25 H new ATOM 0 HA HIS A 624 4.026 6.543 0.677 1.00 20.42 H new ATOM 0 HB2 HIS A 624 2.902 9.326 1.084 1.00 22.45 H new ATOM 0 HB3 HIS A 624 3.322 8.243 2.396 1.00 22.45 H new ATOM 0 HD2 HIS A 624 5.110 10.412 -0.314 1.00 45.12 H new ATOM 0 HE1 HIS A 624 7.963 8.928 2.427 1.00 14.25 H new ATOM 0 HE2 HIS A 624 7.588 10.496 0.461 1.00 12.32 H new ATOM 692 N ILE A 625 1.855 5.648 1.295 1.00 0.53 N ATOM 693 CA ILE A 625 0.607 5.034 1.602 1.00 50.01 C ATOM 694 C ILE A 625 0.738 4.362 2.938 1.00 44.35 C ATOM 695 O ILE A 625 1.854 4.036 3.384 1.00 34.30 O ATOM 696 CB ILE A 625 0.176 3.963 0.532 1.00 21.54 C ATOM 697 CG1 ILE A 625 1.115 2.763 0.555 1.00 30.44 C ATOM 698 CG2 ILE A 625 0.123 4.562 -0.874 1.00 52.35 C ATOM 699 CD1 ILE A 625 0.803 1.707 -0.490 1.00 71.31 C ATOM 0 H ILE A 625 2.671 5.086 1.537 1.00 0.53 H new ATOM 0 HA ILE A 625 -0.160 5.809 1.608 1.00 50.01 H new ATOM 0 HB ILE A 625 -0.828 3.629 0.795 1.00 21.54 H new ATOM 0 HG12 ILE A 625 2.137 3.113 0.408 1.00 30.44 H new ATOM 0 HG13 ILE A 625 1.075 2.304 1.543 1.00 30.44 H new ATOM 0 HG21 ILE A 625 -0.178 3.793 -1.586 1.00 52.35 H new ATOM 0 HG22 ILE A 625 -0.599 5.378 -0.895 1.00 52.35 H new ATOM 0 HG23 ILE A 625 1.108 4.942 -1.145 1.00 52.35 H new ATOM 0 HD11 ILE A 625 1.518 0.888 -0.405 1.00 71.31 H new ATOM 0 HD12 ILE A 625 -0.206 1.326 -0.332 1.00 71.31 H new ATOM 0 HD13 ILE A 625 0.873 2.148 -1.485 1.00 71.31 H new ATOM 706 N ASN A 626 -0.342 4.195 3.580 1.00 1.14 N ATOM 707 CA ASN A 626 -0.370 3.493 4.829 1.00 40.44 C ATOM 708 C ASN A 626 -1.492 2.485 4.773 1.00 64.42 C ATOM 709 O ASN A 626 -2.436 2.656 3.986 1.00 4.15 O ATOM 710 CB ASN A 626 -0.576 4.478 5.986 1.00 12.15 C ATOM 711 CG ASN A 626 -0.499 3.827 7.358 1.00 41.32 C ATOM 712 OD1 ASN A 626 0.222 2.834 7.559 1.00 32.22 O ATOM 713 ND2 ASN A 626 -1.227 4.370 8.301 1.00 75.51 N ATOM 0 H ASN A 626 -1.251 4.537 3.267 1.00 1.14 H new ATOM 0 HA ASN A 626 0.577 2.981 4.999 1.00 40.44 H new ATOM 0 HB2 ASN A 626 0.177 5.263 5.923 1.00 12.15 H new ATOM 0 HB3 ASN A 626 -1.548 4.959 5.875 1.00 12.15 H new ATOM 0 HD21 ASN A 626 -1.216 3.979 9.243 1.00 75.51 H new ATOM 0 HD22 ASN A 626 -1.805 5.185 8.094 1.00 75.51 H new ATOM 719 N VAL A 627 -1.390 1.437 5.552 1.00 3.20 N ATOM 720 CA VAL A 627 -2.416 0.429 5.592 1.00 20.22 C ATOM 721 C VAL A 627 -3.517 0.913 6.467 1.00 34.14 C ATOM 722 O VAL A 627 -3.323 1.060 7.659 1.00 33.31 O ATOM 723 CB VAL A 627 -1.904 -0.919 6.142 1.00 45.01 C ATOM 724 CG1 VAL A 627 -3.026 -1.952 6.146 1.00 61.50 C ATOM 725 CG2 VAL A 627 -0.740 -1.415 5.326 1.00 62.31 C ATOM 0 H VAL A 627 -0.599 1.261 6.171 1.00 3.20 H new ATOM 0 HA VAL A 627 -2.755 0.259 4.570 1.00 20.22 H new ATOM 0 HB VAL A 627 -1.567 -0.766 7.167 1.00 45.01 H new ATOM 0 HG11 VAL A 627 -2.649 -2.897 6.537 1.00 61.50 H new ATOM 0 HG12 VAL A 627 -3.843 -1.599 6.775 1.00 61.50 H new ATOM 0 HG13 VAL A 627 -3.389 -2.099 5.129 1.00 61.50 H new ATOM 0 HG21 VAL A 627 -0.392 -2.366 5.729 1.00 62.31 H new ATOM 0 HG22 VAL A 627 -1.053 -1.552 4.291 1.00 62.31 H new ATOM 0 HG23 VAL A 627 0.070 -0.686 5.367 1.00 62.31 H new ATOM 731 N CYS A 628 -4.628 1.200 5.834 1.00 31.22 N ATOM 732 CA CYS A 628 -5.871 1.671 6.425 1.00 74.25 C ATOM 733 C CYS A 628 -5.731 3.025 7.124 1.00 33.03 C ATOM 734 O CYS A 628 -4.692 3.378 7.697 1.00 34.23 O ATOM 735 CB CYS A 628 -6.561 0.611 7.343 1.00 45.31 C ATOM 736 SG CYS A 628 -5.688 0.145 8.881 1.00 2.21 S ATOM 0 H CYS A 628 -4.699 1.106 4.821 1.00 31.22 H new ATOM 0 HA CYS A 628 -6.540 1.826 5.579 1.00 74.25 H new ATOM 0 HB2 CYS A 628 -7.546 0.989 7.615 1.00 45.31 H new ATOM 0 HB3 CYS A 628 -6.718 -0.294 6.756 1.00 45.31 H new ATOM 741 N GLY A 629 -6.780 3.772 7.071 1.00 3.31 N ATOM 742 CA GLY A 629 -6.806 5.037 7.701 1.00 55.14 C ATOM 743 C GLY A 629 -6.084 6.045 6.872 1.00 32.54 C ATOM 744 O GLY A 629 -6.185 6.034 5.639 1.00 50.33 O ATOM 0 H GLY A 629 -7.642 3.518 6.588 1.00 3.31 H new ATOM 0 HA2 GLY A 629 -7.838 5.354 7.853 1.00 55.14 H new ATOM 0 HA3 GLY A 629 -6.345 4.969 8.686 1.00 55.14 H new ATOM 748 N PRO A 630 -5.388 6.938 7.509 1.00 72.11 N ATOM 749 CA PRO A 630 -4.596 7.938 6.857 1.00 5.55 C ATOM 750 C PRO A 630 -3.127 7.553 6.755 1.00 52.32 C ATOM 751 O PRO A 630 -2.677 6.561 7.348 1.00 43.24 O ATOM 752 CB PRO A 630 -4.729 9.115 7.807 1.00 54.01 C ATOM 753 CG PRO A 630 -5.329 8.562 9.082 1.00 15.24 C ATOM 754 CD PRO A 630 -5.339 7.096 8.945 1.00 24.25 C ATOM 0 HA PRO A 630 -4.924 8.116 5.833 1.00 5.55 H new ATOM 0 HB2 PRO A 630 -3.758 9.572 8.000 1.00 54.01 H new ATOM 0 HB3 PRO A 630 -5.367 9.889 7.381 1.00 54.01 H new ATOM 0 HG2 PRO A 630 -4.742 8.865 9.949 1.00 15.24 H new ATOM 0 HG3 PRO A 630 -6.339 8.943 9.231 1.00 15.24 H new ATOM 0 HD2 PRO A 630 -4.449 6.638 9.377 1.00 24.25 H new ATOM 0 HD3 PRO A 630 -6.201 6.644 9.436 1.00 24.25 H new ATOM 762 N VAL A 631 -2.384 8.340 6.025 1.00 45.25 N ATOM 763 CA VAL A 631 -0.977 8.159 5.941 1.00 63.33 C ATOM 764 C VAL A 631 -0.321 9.200 6.808 1.00 71.04 C ATOM 765 O VAL A 631 -0.636 10.388 6.732 1.00 71.23 O ATOM 766 CB VAL A 631 -0.439 8.240 4.469 1.00 14.02 C ATOM 767 CG1 VAL A 631 -0.781 9.542 3.793 1.00 30.30 C ATOM 768 CG2 VAL A 631 1.048 7.991 4.410 1.00 3.14 C ATOM 0 H VAL A 631 -2.745 9.121 5.476 1.00 45.25 H new ATOM 0 HA VAL A 631 -0.733 7.156 6.290 1.00 63.33 H new ATOM 0 HB VAL A 631 -0.947 7.448 3.919 1.00 14.02 H new ATOM 0 HG11 VAL A 631 -0.383 9.540 2.778 1.00 30.30 H new ATOM 0 HG12 VAL A 631 -1.864 9.660 3.758 1.00 30.30 H new ATOM 0 HG13 VAL A 631 -0.343 10.369 4.353 1.00 30.30 H new ATOM 0 HG21 VAL A 631 1.387 8.055 3.376 1.00 3.14 H new ATOM 0 HG22 VAL A 631 1.566 8.740 5.008 1.00 3.14 H new ATOM 0 HG23 VAL A 631 1.267 6.998 4.803 1.00 3.14 H new ATOM 774 N SER A 632 0.556 8.766 7.634 1.00 64.12 N ATOM 775 CA SER A 632 1.222 9.650 8.495 1.00 24.34 C ATOM 776 C SER A 632 2.585 9.964 7.923 1.00 62.45 C ATOM 777 O SER A 632 3.582 9.314 8.232 1.00 22.41 O ATOM 778 CB SER A 632 1.282 9.084 9.927 1.00 54.13 C ATOM 779 OG SER A 632 1.951 9.960 10.819 1.00 30.14 O ATOM 0 H SER A 632 0.828 7.787 7.728 1.00 64.12 H new ATOM 0 HA SER A 632 0.670 10.587 8.570 1.00 24.34 H new ATOM 0 HB2 SER A 632 0.269 8.904 10.288 1.00 54.13 H new ATOM 0 HB3 SER A 632 1.792 8.121 9.915 1.00 54.13 H new ATOM 0 HG SER A 632 2.818 9.576 11.066 1.00 30.14 H new ATOM 785 N VAL A 633 2.600 10.885 6.998 1.00 71.23 N ATOM 786 CA VAL A 633 3.831 11.308 6.412 1.00 52.41 C ATOM 787 C VAL A 633 3.965 12.821 6.446 1.00 60.32 C ATOM 788 O VAL A 633 2.992 13.539 6.197 1.00 54.32 O ATOM 789 CB VAL A 633 4.023 10.755 4.961 1.00 64.41 C ATOM 790 CG1 VAL A 633 2.937 11.201 4.001 1.00 23.33 C ATOM 791 CG2 VAL A 633 5.396 11.080 4.424 1.00 71.00 C ATOM 0 H VAL A 633 1.769 11.354 6.637 1.00 71.23 H new ATOM 0 HA VAL A 633 4.631 10.883 7.019 1.00 52.41 H new ATOM 0 HB VAL A 633 3.934 9.671 5.038 1.00 64.41 H new ATOM 0 HG11 VAL A 633 3.130 10.783 3.013 1.00 23.33 H new ATOM 0 HG12 VAL A 633 1.969 10.852 4.360 1.00 23.33 H new ATOM 0 HG13 VAL A 633 2.930 12.289 3.939 1.00 23.33 H new ATOM 0 HG21 VAL A 633 5.496 10.681 3.414 1.00 71.00 H new ATOM 0 HG22 VAL A 633 5.532 12.161 4.402 1.00 71.00 H new ATOM 0 HG23 VAL A 633 6.154 10.632 5.067 1.00 71.00 H new ATOM 797 N GLY A 634 5.170 13.309 6.738 1.00 13.15 N ATOM 798 CA GLY A 634 5.427 14.745 6.790 1.00 45.31 C ATOM 799 C GLY A 634 5.584 15.339 5.408 1.00 21.21 C ATOM 800 O GLY A 634 6.515 16.092 5.133 1.00 63.43 O ATOM 0 H GLY A 634 5.984 12.729 6.942 1.00 13.15 H new ATOM 0 HA2 GLY A 634 4.607 15.242 7.308 1.00 45.31 H new ATOM 0 HA3 GLY A 634 6.331 14.932 7.370 1.00 45.31 H new ATOM 804 N ALA A 635 4.668 15.000 4.556 1.00 54.10 N ATOM 805 CA ALA A 635 4.658 15.447 3.202 1.00 60.31 C ATOM 806 C ALA A 635 3.252 15.778 2.807 1.00 65.42 C ATOM 807 O ALA A 635 2.998 16.813 2.189 1.00 54.20 O ATOM 808 CB ALA A 635 5.225 14.379 2.273 1.00 25.55 C ATOM 0 H ALA A 635 3.886 14.388 4.791 1.00 54.10 H new ATOM 0 HA ALA A 635 5.285 16.335 3.116 1.00 60.31 H new ATOM 0 HB1 ALA A 635 5.207 14.743 1.246 1.00 25.55 H new ATOM 0 HB2 ALA A 635 6.252 14.155 2.560 1.00 25.55 H new ATOM 0 HB3 ALA A 635 4.622 13.474 2.348 1.00 25.55 H new ATOM 814 N CYS A 636 2.324 14.931 3.199 1.00 43.14 N ATOM 815 CA CYS A 636 0.957 15.127 2.807 1.00 22.43 C ATOM 816 C CYS A 636 0.061 15.077 4.059 1.00 32.22 C ATOM 817 O CYS A 636 0.377 14.353 5.012 1.00 2.33 O ATOM 818 CB CYS A 636 0.588 14.031 1.812 1.00 42.42 C ATOM 819 SG CYS A 636 -0.931 14.308 0.865 1.00 24.24 S ATOM 0 H CYS A 636 2.494 14.111 3.782 1.00 43.14 H new ATOM 0 HA CYS A 636 0.816 16.098 2.332 1.00 22.43 H new ATOM 0 HB2 CYS A 636 1.414 13.909 1.111 1.00 42.42 H new ATOM 0 HB3 CYS A 636 0.489 13.091 2.355 1.00 42.42 H new ATOM 824 N PRO A 637 -1.033 15.875 4.085 1.00 20.33 N ATOM 825 CA PRO A 637 -1.956 15.958 5.234 1.00 31.35 C ATOM 826 C PRO A 637 -2.628 14.616 5.605 1.00 54.14 C ATOM 827 O PRO A 637 -2.914 13.780 4.732 1.00 23.11 O ATOM 828 CB PRO A 637 -3.016 16.970 4.775 1.00 50.32 C ATOM 829 CG PRO A 637 -2.890 17.012 3.295 1.00 24.32 C ATOM 830 CD PRO A 637 -1.451 16.778 3.004 1.00 35.55 C ATOM 0 HA PRO A 637 -1.417 16.244 6.137 1.00 31.35 H new ATOM 0 HB2 PRO A 637 -4.016 16.659 5.078 1.00 50.32 H new ATOM 0 HB3 PRO A 637 -2.841 17.952 5.214 1.00 50.32 H new ATOM 0 HG2 PRO A 637 -3.512 16.249 2.828 1.00 24.32 H new ATOM 0 HG3 PRO A 637 -3.217 17.975 2.902 1.00 24.32 H new ATOM 0 HD2 PRO A 637 -1.307 16.326 2.023 1.00 35.55 H new ATOM 0 HD3 PRO A 637 -0.882 17.708 3.013 1.00 35.55 H new ATOM 838 N PRO A 638 -2.911 14.415 6.923 1.00 44.44 N ATOM 839 CA PRO A 638 -3.537 13.188 7.465 1.00 62.43 C ATOM 840 C PRO A 638 -4.929 12.871 6.907 1.00 75.22 C ATOM 841 O PRO A 638 -5.473 11.816 7.177 1.00 5.15 O ATOM 842 CB PRO A 638 -3.626 13.443 8.967 1.00 72.32 C ATOM 843 CG PRO A 638 -2.632 14.506 9.230 1.00 14.32 C ATOM 844 CD PRO A 638 -2.614 15.369 8.009 1.00 41.22 C ATOM 0 HA PRO A 638 -2.939 12.320 7.186 1.00 62.43 H new ATOM 0 HB2 PRO A 638 -4.628 13.759 9.256 1.00 72.32 H new ATOM 0 HB3 PRO A 638 -3.400 12.541 9.535 1.00 72.32 H new ATOM 0 HG2 PRO A 638 -2.905 15.085 10.112 1.00 14.32 H new ATOM 0 HG3 PRO A 638 -1.647 14.080 9.420 1.00 14.32 H new ATOM 0 HD2 PRO A 638 -3.360 16.162 8.064 1.00 41.22 H new ATOM 0 HD3 PRO A 638 -1.646 15.851 7.870 1.00 41.22 H new ATOM 852 N ASP A 639 -5.544 13.788 6.196 1.00 75.42 N ATOM 853 CA ASP A 639 -6.837 13.474 5.584 1.00 43.50 C ATOM 854 C ASP A 639 -6.672 12.484 4.446 1.00 23.52 C ATOM 855 O ASP A 639 -7.638 11.860 4.013 1.00 2.42 O ATOM 856 CB ASP A 639 -7.639 14.712 5.128 1.00 34.51 C ATOM 857 CG ASP A 639 -6.924 15.590 4.126 1.00 32.14 C ATOM 858 OD1 ASP A 639 -6.964 15.294 2.921 1.00 1.34 O ATOM 859 OD2 ASP A 639 -6.323 16.613 4.546 1.00 72.14 O ATOM 0 H ASP A 639 -5.194 14.730 6.024 1.00 75.42 H new ATOM 0 HA ASP A 639 -7.432 13.016 6.374 1.00 43.50 H new ATOM 0 HB2 ASP A 639 -8.581 14.378 4.692 1.00 34.51 H new ATOM 0 HB3 ASP A 639 -7.887 15.311 6.004 1.00 34.51 H new ATOM 864 N SER A 640 -5.449 12.316 3.990 1.00 4.40 N ATOM 865 CA SER A 640 -5.161 11.391 2.947 1.00 33.34 C ATOM 866 C SER A 640 -4.594 10.088 3.536 1.00 70.35 C ATOM 867 O SER A 640 -3.912 10.106 4.567 1.00 23.14 O ATOM 868 CB SER A 640 -4.183 12.014 1.944 1.00 61.42 C ATOM 869 OG SER A 640 -3.956 11.154 0.844 1.00 61.12 O ATOM 0 H SER A 640 -4.636 12.823 4.340 1.00 4.40 H new ATOM 0 HA SER A 640 -6.083 11.151 2.418 1.00 33.34 H new ATOM 0 HB2 SER A 640 -4.580 12.965 1.589 1.00 61.42 H new ATOM 0 HB3 SER A 640 -3.237 12.229 2.441 1.00 61.42 H new ATOM 0 HG SER A 640 -4.665 11.279 0.179 1.00 61.12 H new ATOM 875 N GLY A 641 -4.917 8.971 2.902 1.00 1.54 N ATOM 876 CA GLY A 641 -4.394 7.678 3.309 1.00 20.52 C ATOM 877 C GLY A 641 -3.334 7.197 2.351 1.00 54.53 C ATOM 878 O GLY A 641 -2.470 6.379 2.702 1.00 22.14 O ATOM 0 H GLY A 641 -5.544 8.936 2.098 1.00 1.54 H new ATOM 0 HA2 GLY A 641 -3.976 7.751 4.313 1.00 20.52 H new ATOM 0 HA3 GLY A 641 -5.205 6.951 3.354 1.00 20.52 H new ATOM 882 N ALA A 642 -3.404 7.698 1.142 1.00 54.11 N ATOM 883 CA ALA A 642 -2.420 7.430 0.135 1.00 75.22 C ATOM 884 C ALA A 642 -2.226 8.703 -0.637 1.00 23.21 C ATOM 885 O ALA A 642 -3.172 9.246 -1.217 1.00 55.34 O ATOM 886 CB ALA A 642 -2.899 6.311 -0.775 1.00 4.24 C ATOM 0 H ALA A 642 -4.158 8.311 0.831 1.00 54.11 H new ATOM 0 HA ALA A 642 -1.478 7.108 0.578 1.00 75.22 H new ATOM 0 HB1 ALA A 642 -2.145 6.114 -1.537 1.00 4.24 H new ATOM 0 HB2 ALA A 642 -3.064 5.409 -0.186 1.00 4.24 H new ATOM 0 HB3 ALA A 642 -3.832 6.607 -1.255 1.00 4.24 H new ATOM 892 N CYS A 643 -1.028 9.177 -0.645 1.00 60.22 N ATOM 893 CA CYS A 643 -0.728 10.432 -1.251 1.00 73.31 C ATOM 894 C CYS A 643 0.618 10.369 -1.949 1.00 21.44 C ATOM 895 O CYS A 643 1.594 9.826 -1.394 1.00 10.10 O ATOM 896 CB CYS A 643 -0.757 11.516 -0.184 1.00 14.42 C ATOM 897 SG CYS A 643 -0.598 13.216 -0.799 1.00 4.11 S ATOM 0 H CYS A 643 -0.225 8.705 -0.230 1.00 60.22 H new ATOM 0 HA CYS A 643 -1.475 10.670 -2.008 1.00 73.31 H new ATOM 0 HB2 CYS A 643 -1.693 11.433 0.369 1.00 14.42 H new ATOM 0 HB3 CYS A 643 0.049 11.327 0.524 1.00 14.42 H new ATOM 902 N GLN A 644 0.694 10.892 -3.138 1.00 34.21 N ATOM 903 CA GLN A 644 1.933 10.881 -3.874 1.00 25.43 C ATOM 904 C GLN A 644 2.559 12.232 -3.927 1.00 65.32 C ATOM 905 O GLN A 644 1.875 13.232 -3.965 1.00 24.21 O ATOM 906 CB GLN A 644 1.799 10.404 -5.287 1.00 13.32 C ATOM 907 CG GLN A 644 0.784 11.138 -6.123 1.00 44.34 C ATOM 908 CD GLN A 644 0.954 10.847 -7.593 1.00 25.03 C ATOM 909 OE1 GLN A 644 0.299 9.841 -8.084 1.00 75.13 O flip ATOM 910 NE2 GLN A 644 1.690 11.533 -8.280 1.00 32.10 N flip ATOM 0 H GLN A 644 -0.087 11.333 -3.623 1.00 34.21 H new ATOM 0 HA GLN A 644 2.557 10.178 -3.322 1.00 25.43 H new ATOM 0 HB2 GLN A 644 2.771 10.484 -5.773 1.00 13.32 H new ATOM 0 HB3 GLN A 644 1.536 9.346 -5.272 1.00 13.32 H new ATOM 0 HG2 GLN A 644 -0.220 10.852 -5.810 1.00 44.34 H new ATOM 0 HG3 GLN A 644 0.879 12.210 -5.951 1.00 44.34 H new ATOM 0 HE21 GLN A 644 2.191 12.318 -7.864 1.00 32.10 H new ATOM 0 HE22 GLN A 644 1.805 11.323 -9.271 1.00 32.10 H new ATOM 918 N VAL A 645 3.851 12.243 -3.925 1.00 52.45 N ATOM 919 CA VAL A 645 4.616 13.435 -4.039 1.00 72.01 C ATOM 920 C VAL A 645 5.713 13.242 -5.077 1.00 63.33 C ATOM 921 O VAL A 645 6.377 12.201 -5.121 1.00 52.35 O ATOM 922 CB VAL A 645 5.170 13.942 -2.653 1.00 42.25 C ATOM 923 CG1 VAL A 645 5.868 12.849 -1.896 1.00 61.23 C ATOM 924 CG2 VAL A 645 6.108 15.136 -2.825 1.00 23.24 C ATOM 0 H VAL A 645 4.417 11.398 -3.842 1.00 52.45 H new ATOM 0 HA VAL A 645 3.956 14.232 -4.382 1.00 72.01 H new ATOM 0 HB VAL A 645 4.304 14.261 -2.073 1.00 42.25 H new ATOM 0 HG11 VAL A 645 6.235 13.240 -0.947 1.00 61.23 H new ATOM 0 HG12 VAL A 645 5.169 12.034 -1.707 1.00 61.23 H new ATOM 0 HG13 VAL A 645 6.708 12.478 -2.484 1.00 61.23 H new ATOM 0 HG21 VAL A 645 6.470 15.458 -1.849 1.00 23.24 H new ATOM 0 HG22 VAL A 645 6.954 14.847 -3.449 1.00 23.24 H new ATOM 0 HG23 VAL A 645 5.570 15.956 -3.301 1.00 23.24 H new ATOM 930 N SER A 646 5.855 14.198 -5.950 1.00 40.02 N ATOM 931 CA SER A 646 6.865 14.139 -6.942 1.00 70.33 C ATOM 932 C SER A 646 8.188 14.515 -6.329 1.00 74.21 C ATOM 933 O SER A 646 8.345 15.604 -5.799 1.00 74.22 O ATOM 934 CB SER A 646 6.517 15.044 -8.139 1.00 63.22 C ATOM 935 OG SER A 646 6.277 16.394 -7.747 1.00 14.34 O ATOM 0 H SER A 646 5.271 15.034 -5.986 1.00 40.02 H new ATOM 0 HA SER A 646 6.935 13.121 -7.325 1.00 70.33 H new ATOM 0 HB2 SER A 646 7.333 15.018 -8.861 1.00 63.22 H new ATOM 0 HB3 SER A 646 5.633 14.652 -8.643 1.00 63.22 H new ATOM 0 HG SER A 646 5.835 16.873 -8.479 1.00 14.34 H new ATOM 941 N ARG A 647 9.134 13.616 -6.380 1.00 3.41 N ATOM 942 CA ARG A 647 10.452 13.891 -5.836 1.00 54.12 C ATOM 943 C ARG A 647 11.162 14.901 -6.732 1.00 32.02 C ATOM 944 O ARG A 647 12.127 15.533 -6.339 1.00 54.44 O ATOM 945 CB ARG A 647 11.268 12.596 -5.660 1.00 2.31 C ATOM 946 CG ARG A 647 11.684 11.914 -6.945 1.00 5.25 C ATOM 947 CD ARG A 647 12.245 10.533 -6.678 1.00 33.34 C ATOM 948 NE ARG A 647 13.382 10.545 -5.763 1.00 52.14 N ATOM 949 CZ ARG A 647 13.704 9.529 -4.947 1.00 61.43 C ATOM 950 NH1 ARG A 647 12.960 8.426 -4.930 1.00 11.32 N ATOM 951 NH2 ARG A 647 14.761 9.622 -4.154 1.00 10.41 N ATOM 0 H ARG A 647 9.025 12.688 -6.789 1.00 3.41 H new ATOM 0 HA ARG A 647 10.349 14.323 -4.840 1.00 54.12 H new ATOM 0 HB2 ARG A 647 12.164 12.826 -5.084 1.00 2.31 H new ATOM 0 HB3 ARG A 647 10.681 11.893 -5.069 1.00 2.31 H new ATOM 0 HG2 ARG A 647 10.826 11.837 -7.613 1.00 5.25 H new ATOM 0 HG3 ARG A 647 12.432 12.520 -7.455 1.00 5.25 H new ATOM 0 HD2 ARG A 647 11.459 9.902 -6.263 1.00 33.34 H new ATOM 0 HD3 ARG A 647 12.551 10.083 -7.622 1.00 33.34 H new ATOM 0 HE ARG A 647 13.969 11.379 -5.742 1.00 52.14 H new ATOM 0 HH11 ARG A 647 12.144 8.352 -5.537 1.00 11.32 H new ATOM 0 HH12 ARG A 647 13.206 7.655 -4.310 1.00 11.32 H new ATOM 0 HH21 ARG A 647 15.332 10.467 -4.163 1.00 10.41 H new ATOM 0 HH22 ARG A 647 15.004 8.849 -3.535 1.00 10.41 H new ATOM 963 N SER A 648 10.643 15.037 -7.946 1.00 41.04 N ATOM 964 CA SER A 648 11.179 15.939 -8.920 1.00 4.52 C ATOM 965 C SER A 648 10.708 17.400 -8.676 1.00 4.40 C ATOM 966 O SER A 648 11.536 18.318 -8.608 1.00 65.25 O ATOM 967 CB SER A 648 10.711 15.459 -10.317 1.00 21.45 C ATOM 968 OG SER A 648 11.243 16.233 -11.371 1.00 40.31 O ATOM 0 H SER A 648 9.831 14.513 -8.271 1.00 41.04 H new ATOM 0 HA SER A 648 12.267 15.939 -8.849 1.00 4.52 H new ATOM 0 HB2 SER A 648 11.003 14.418 -10.454 1.00 21.45 H new ATOM 0 HB3 SER A 648 9.622 15.493 -10.361 1.00 21.45 H new ATOM 0 HG SER A 648 10.918 15.886 -12.228 1.00 40.31 H new ATOM 974 N ASP A 649 9.392 17.614 -8.506 1.00 5.40 N ATOM 975 CA ASP A 649 8.877 19.000 -8.383 1.00 60.34 C ATOM 976 C ASP A 649 8.472 19.348 -6.947 1.00 62.44 C ATOM 977 O ASP A 649 8.427 20.507 -6.566 1.00 4.40 O ATOM 978 CB ASP A 649 7.699 19.215 -9.342 1.00 74.10 C ATOM 979 CG ASP A 649 7.313 20.675 -9.512 1.00 64.43 C ATOM 980 OD1 ASP A 649 6.532 21.198 -8.728 1.00 51.13 O ATOM 981 OD2 ASP A 649 7.790 21.310 -10.479 1.00 50.14 O ATOM 0 H ASP A 649 8.685 16.881 -8.451 1.00 5.40 H new ATOM 0 HA ASP A 649 9.690 19.673 -8.655 1.00 60.34 H new ATOM 0 HB2 ASP A 649 7.954 18.799 -10.317 1.00 74.10 H new ATOM 0 HB3 ASP A 649 6.836 18.660 -8.975 1.00 74.10 H new ATOM 986 N ARG A 650 8.232 18.320 -6.168 1.00 12.41 N ATOM 987 CA ARG A 650 7.758 18.418 -4.771 1.00 20.04 C ATOM 988 C ARG A 650 6.315 18.856 -4.664 1.00 3.22 C ATOM 989 O ARG A 650 5.927 19.649 -3.805 1.00 70.34 O ATOM 990 CB ARG A 650 8.715 19.182 -3.841 1.00 73.13 C ATOM 991 CG ARG A 650 10.014 18.432 -3.594 1.00 51.41 C ATOM 992 CD ARG A 650 9.735 17.085 -2.930 1.00 11.32 C ATOM 993 NE ARG A 650 10.935 16.288 -2.761 1.00 11.15 N ATOM 994 CZ ARG A 650 10.949 14.969 -2.521 1.00 70.42 C ATOM 995 NH1 ARG A 650 9.808 14.284 -2.402 1.00 33.14 N ATOM 996 NH2 ARG A 650 12.099 14.347 -2.410 1.00 53.43 N ATOM 0 H ARG A 650 8.359 17.357 -6.479 1.00 12.41 H new ATOM 0 HA ARG A 650 7.774 17.397 -4.389 1.00 20.04 H new ATOM 0 HB2 ARG A 650 8.939 20.155 -4.277 1.00 73.13 H new ATOM 0 HB3 ARG A 650 8.219 19.366 -2.888 1.00 73.13 H new ATOM 0 HG2 ARG A 650 10.537 18.278 -4.538 1.00 51.41 H new ATOM 0 HG3 ARG A 650 10.670 19.028 -2.960 1.00 51.41 H new ATOM 0 HD2 ARG A 650 9.274 17.252 -1.956 1.00 11.32 H new ATOM 0 HD3 ARG A 650 9.016 16.529 -3.532 1.00 11.32 H new ATOM 0 HE ARG A 650 11.834 16.766 -2.830 1.00 11.15 H new ATOM 0 HH11 ARG A 650 8.913 14.764 -2.494 1.00 33.14 H new ATOM 0 HH12 ARG A 650 9.832 13.281 -2.219 1.00 33.14 H new ATOM 0 HH21 ARG A 650 12.971 14.867 -2.506 1.00 53.43 H new ATOM 0 HH22 ARG A 650 12.121 13.344 -2.227 1.00 53.43 H new ATOM 1008 N LYS A 651 5.532 18.280 -5.523 1.00 41.02 N ATOM 1009 CA LYS A 651 4.096 18.432 -5.557 1.00 75.33 C ATOM 1010 C LYS A 651 3.483 17.198 -4.975 1.00 44.31 C ATOM 1011 O LYS A 651 4.025 16.121 -5.167 1.00 20.34 O ATOM 1012 CB LYS A 651 3.657 18.503 -6.992 1.00 52.21 C ATOM 1013 CG LYS A 651 3.955 19.759 -7.705 1.00 71.11 C ATOM 1014 CD LYS A 651 3.048 20.826 -7.214 1.00 62.13 C ATOM 1015 CE LYS A 651 3.198 22.075 -8.011 1.00 14.14 C ATOM 1016 NZ LYS A 651 2.331 23.152 -7.499 1.00 32.11 N ATOM 0 H LYS A 651 5.884 17.663 -6.255 1.00 41.02 H new ATOM 0 HA LYS A 651 3.800 19.326 -5.008 1.00 75.33 H new ATOM 0 HB2 LYS A 651 4.126 17.682 -7.534 1.00 52.21 H new ATOM 0 HB3 LYS A 651 2.581 18.336 -7.029 1.00 52.21 H new ATOM 0 HG2 LYS A 651 4.994 20.045 -7.543 1.00 71.11 H new ATOM 0 HG3 LYS A 651 3.826 19.621 -8.779 1.00 71.11 H new ATOM 0 HD2 LYS A 651 2.015 20.481 -7.266 1.00 62.13 H new ATOM 0 HD3 LYS A 651 3.262 21.034 -6.166 1.00 62.13 H new ATOM 0 HE2 LYS A 651 4.238 22.401 -7.986 1.00 14.14 H new ATOM 0 HE3 LYS A 651 2.952 21.874 -9.054 1.00 14.14 H new ATOM 0 HZ1 LYS A 651 2.461 24.007 -8.077 1.00 32.11 H new ATOM 0 HZ2 LYS A 651 1.337 22.850 -7.546 1.00 32.11 H new ATOM 0 HZ3 LYS A 651 2.583 23.360 -6.512 1.00 32.11 H new ATOM 1030 N SER A 652 2.387 17.314 -4.277 1.00 72.11 N ATOM 1031 CA SER A 652 1.735 16.130 -3.793 1.00 4.03 C ATOM 1032 C SER A 652 0.284 16.115 -4.216 1.00 63.21 C ATOM 1033 O SER A 652 -0.363 17.164 -4.305 1.00 74.21 O ATOM 1034 CB SER A 652 1.863 15.975 -2.288 1.00 4.13 C ATOM 1035 OG SER A 652 3.202 16.174 -1.881 1.00 74.52 O ATOM 0 H SER A 652 1.935 18.196 -4.035 1.00 72.11 H new ATOM 0 HA SER A 652 2.241 15.275 -4.242 1.00 4.03 H new ATOM 0 HB2 SER A 652 1.214 16.693 -1.786 1.00 4.13 H new ATOM 0 HB3 SER A 652 1.530 14.981 -1.989 1.00 4.13 H new ATOM 0 HG SER A 652 3.267 16.072 -0.908 1.00 74.52 H new ATOM 1041 N TRP A 653 -0.211 14.948 -4.491 1.00 23.24 N ATOM 1042 CA TRP A 653 -1.556 14.764 -4.945 1.00 1.31 C ATOM 1043 C TRP A 653 -2.209 13.697 -4.098 1.00 23.55 C ATOM 1044 O TRP A 653 -1.549 12.735 -3.691 1.00 4.11 O ATOM 1045 CB TRP A 653 -1.563 14.361 -6.429 1.00 32.01 C ATOM 1046 CG TRP A 653 -0.907 15.381 -7.333 1.00 5.23 C ATOM 1047 CD1 TRP A 653 -1.486 16.484 -7.898 1.00 10.44 C ATOM 1048 CD2 TRP A 653 0.462 15.392 -7.768 1.00 32.12 C ATOM 1049 NE1 TRP A 653 -0.556 17.164 -8.652 1.00 71.22 N ATOM 1050 CE2 TRP A 653 0.633 16.516 -8.587 1.00 54.42 C ATOM 1051 CE3 TRP A 653 1.554 14.559 -7.540 1.00 62.51 C ATOM 1052 CZ2 TRP A 653 1.842 16.824 -9.182 1.00 4.03 C ATOM 1053 CZ3 TRP A 653 2.756 14.864 -8.122 1.00 21.22 C ATOM 1054 CH2 TRP A 653 2.893 15.993 -8.939 1.00 22.14 C ATOM 0 H TRP A 653 0.318 14.080 -4.405 1.00 23.24 H new ATOM 0 HA TRP A 653 -2.114 15.695 -4.848 1.00 1.31 H new ATOM 0 HB2 TRP A 653 -1.051 13.405 -6.540 1.00 32.01 H new ATOM 0 HB3 TRP A 653 -2.593 14.210 -6.752 1.00 32.01 H new ATOM 0 HD1 TRP A 653 -2.518 16.777 -7.772 1.00 10.44 H new ATOM 0 HE1 TRP A 653 -0.734 18.020 -9.177 1.00 71.22 H new ATOM 0 HE3 TRP A 653 1.455 13.685 -6.913 1.00 62.51 H new ATOM 0 HZ2 TRP A 653 1.949 17.692 -9.816 1.00 4.03 H new ATOM 0 HZ3 TRP A 653 3.609 14.225 -7.948 1.00 21.22 H new ATOM 0 HH2 TRP A 653 3.852 16.209 -9.386 1.00 22.14 H new ATOM 1065 N ASN A 654 -3.491 13.823 -3.881 1.00 44.24 N ATOM 1066 CA ASN A 654 -4.201 12.932 -2.980 1.00 42.32 C ATOM 1067 C ASN A 654 -4.768 11.813 -3.803 1.00 1.11 C ATOM 1068 O ASN A 654 -5.474 12.055 -4.792 1.00 25.30 O ATOM 1069 CB ASN A 654 -5.363 13.689 -2.325 1.00 21.01 C ATOM 1070 CG ASN A 654 -6.024 12.966 -1.167 1.00 74.11 C ATOM 1071 OD1 ASN A 654 -6.038 11.746 -1.089 1.00 62.31 O ATOM 1072 ND2 ASN A 654 -6.585 13.720 -0.269 1.00 63.24 N ATOM 0 H ASN A 654 -4.075 14.537 -4.316 1.00 44.24 H new ATOM 0 HA ASN A 654 -3.529 12.556 -2.209 1.00 42.32 H new ATOM 0 HB2 ASN A 654 -4.996 14.652 -1.971 1.00 21.01 H new ATOM 0 HB3 ASN A 654 -6.118 13.895 -3.084 1.00 21.01 H new ATOM 0 HD21 ASN A 654 -7.055 13.297 0.531 1.00 63.24 H new ATOM 0 HD22 ASN A 654 -6.555 14.735 -0.364 1.00 63.24 H new ATOM 1078 N LEU A 655 -4.456 10.603 -3.415 1.00 52.23 N ATOM 1079 CA LEU A 655 -4.850 9.438 -4.161 1.00 25.02 C ATOM 1080 C LEU A 655 -5.938 8.681 -3.420 1.00 13.34 C ATOM 1081 O LEU A 655 -6.307 7.577 -3.795 1.00 64.23 O ATOM 1082 CB LEU A 655 -3.639 8.529 -4.354 1.00 64.25 C ATOM 1083 CG LEU A 655 -2.397 9.160 -4.974 1.00 72.25 C ATOM 1084 CD1 LEU A 655 -1.311 8.125 -5.151 1.00 34.31 C ATOM 1085 CD2 LEU A 655 -2.726 9.824 -6.286 1.00 50.25 C ATOM 0 H LEU A 655 -3.921 10.399 -2.571 1.00 52.23 H new ATOM 0 HA LEU A 655 -5.237 9.751 -5.131 1.00 25.02 H new ATOM 0 HB2 LEU A 655 -3.363 8.120 -3.382 1.00 64.25 H new ATOM 0 HB3 LEU A 655 -3.941 7.689 -4.979 1.00 64.25 H new ATOM 0 HG LEU A 655 -2.030 9.929 -4.295 1.00 72.25 H new ATOM 0 HD11 LEU A 655 -0.432 8.592 -5.595 1.00 34.31 H new ATOM 0 HD12 LEU A 655 -1.048 7.704 -4.181 1.00 34.31 H new ATOM 0 HD13 LEU A 655 -1.669 7.330 -5.806 1.00 34.31 H new ATOM 0 HD21 LEU A 655 -1.823 10.266 -6.707 1.00 50.25 H new ATOM 0 HD22 LEU A 655 -3.124 9.083 -6.979 1.00 50.25 H new ATOM 0 HD23 LEU A 655 -3.469 10.604 -6.123 1.00 50.25 H new ATOM 1093 N GLY A 656 -6.425 9.264 -2.367 1.00 63.42 N ATOM 1094 CA GLY A 656 -7.462 8.647 -1.608 1.00 51.44 C ATOM 1095 C GLY A 656 -7.416 9.081 -0.187 1.00 22.23 C ATOM 1096 O GLY A 656 -6.374 8.975 0.478 1.00 15.24 O ATOM 0 H GLY A 656 -6.117 10.171 -2.015 1.00 63.42 H new ATOM 0 HA2 GLY A 656 -8.431 8.900 -2.038 1.00 51.44 H new ATOM 0 HA3 GLY A 656 -7.362 7.563 -1.664 1.00 51.44 H new ATOM 1100 N ARG A 657 -8.528 9.579 0.294 1.00 73.23 N ATOM 1101 CA ARG A 657 -8.607 10.070 1.631 1.00 0.24 C ATOM 1102 C ARG A 657 -8.642 8.900 2.608 1.00 60.15 C ATOM 1103 O ARG A 657 -8.848 7.754 2.190 1.00 15.02 O ATOM 1104 CB ARG A 657 -9.818 11.001 1.764 1.00 60.44 C ATOM 1105 CG ARG A 657 -11.178 10.331 1.743 1.00 71.42 C ATOM 1106 CD ARG A 657 -11.673 9.989 3.134 1.00 51.33 C ATOM 1107 NE ARG A 657 -11.901 11.187 3.933 1.00 3.34 N ATOM 1108 CZ ARG A 657 -12.226 11.186 5.225 1.00 50.50 C ATOM 1109 NH1 ARG A 657 -12.207 10.053 5.917 1.00 45.44 N ATOM 1110 NH2 ARG A 657 -12.521 12.324 5.826 1.00 24.31 N ATOM 0 H ARG A 657 -9.397 9.652 -0.235 1.00 73.23 H new ATOM 0 HA ARG A 657 -7.723 10.659 1.876 1.00 0.24 H new ATOM 0 HB2 ARG A 657 -9.723 11.556 2.697 1.00 60.44 H new ATOM 0 HB3 ARG A 657 -9.782 11.730 0.954 1.00 60.44 H new ATOM 0 HG2 ARG A 657 -11.897 10.989 1.256 1.00 71.42 H new ATOM 0 HG3 ARG A 657 -11.123 9.421 1.146 1.00 71.42 H new ATOM 0 HD2 ARG A 657 -12.599 9.418 3.061 1.00 51.33 H new ATOM 0 HD3 ARG A 657 -10.944 9.351 3.634 1.00 51.33 H new ATOM 0 HE ARG A 657 -11.805 12.091 3.470 1.00 3.34 H new ATOM 0 HH11 ARG A 657 -11.943 9.180 5.460 1.00 45.44 H new ATOM 0 HH12 ARG A 657 -12.456 10.055 6.906 1.00 45.44 H new ATOM 0 HH21 ARG A 657 -12.499 13.198 5.301 1.00 24.31 H new ATOM 0 HH22 ARG A 657 -12.770 12.329 6.815 1.00 24.31 H new ATOM 1122 N SER A 658 -8.483 9.194 3.875 1.00 14.50 N ATOM 1123 CA SER A 658 -8.409 8.183 4.914 1.00 65.03 C ATOM 1124 C SER A 658 -9.633 7.246 4.943 1.00 41.14 C ATOM 1125 O SER A 658 -10.801 7.681 5.043 1.00 53.54 O ATOM 1126 CB SER A 658 -8.179 8.853 6.264 1.00 53.21 C ATOM 1127 OG SER A 658 -9.128 9.885 6.492 1.00 31.05 O ATOM 0 H SER A 658 -8.400 10.149 4.223 1.00 14.50 H new ATOM 0 HA SER A 658 -7.561 7.538 4.684 1.00 65.03 H new ATOM 0 HB2 SER A 658 -8.248 8.110 7.058 1.00 53.21 H new ATOM 0 HB3 SER A 658 -7.171 9.267 6.301 1.00 53.21 H new ATOM 0 HG SER A 658 -8.960 10.297 7.365 1.00 31.05 H new ATOM 1133 N ASN A 659 -9.348 5.971 4.826 1.00 22.14 N ATOM 1134 CA ASN A 659 -10.347 4.931 4.779 1.00 11.15 C ATOM 1135 C ASN A 659 -9.728 3.656 5.297 1.00 23.11 C ATOM 1136 O ASN A 659 -8.558 3.418 5.083 1.00 55.20 O ATOM 1137 CB ASN A 659 -10.809 4.741 3.346 1.00 30.35 C ATOM 1138 CG ASN A 659 -11.837 3.662 3.199 1.00 41.21 C ATOM 1139 OD1 ASN A 659 -12.615 3.391 4.106 1.00 21.14 O ATOM 1140 ND2 ASN A 659 -11.834 3.035 2.079 1.00 41.23 N ATOM 0 H ASN A 659 -8.393 5.620 4.759 1.00 22.14 H new ATOM 0 HA ASN A 659 -11.207 5.200 5.392 1.00 11.15 H new ATOM 0 HB2 ASN A 659 -11.221 5.680 2.976 1.00 30.35 H new ATOM 0 HB3 ASN A 659 -9.948 4.502 2.722 1.00 30.35 H new ATOM 0 HD21 ASN A 659 -12.498 2.278 1.917 1.00 41.23 H new ATOM 0 HD22 ASN A 659 -11.168 3.294 1.351 1.00 41.23 H new ATOM 1146 N ALA A 660 -10.485 2.842 5.965 1.00 53.22 N ATOM 1147 CA ALA A 660 -9.917 1.660 6.563 1.00 11.13 C ATOM 1148 C ALA A 660 -10.645 0.410 6.140 1.00 70.30 C ATOM 1149 O ALA A 660 -10.402 -0.660 6.685 1.00 31.30 O ATOM 1150 CB ALA A 660 -9.905 1.795 8.080 1.00 70.32 C ATOM 0 H ALA A 660 -11.487 2.966 6.113 1.00 53.22 H new ATOM 0 HA ALA A 660 -8.891 1.566 6.208 1.00 11.13 H new ATOM 0 HB1 ALA A 660 -9.474 0.897 8.522 1.00 70.32 H new ATOM 0 HB2 ALA A 660 -9.307 2.661 8.363 1.00 70.32 H new ATOM 0 HB3 ALA A 660 -10.925 1.924 8.442 1.00 70.32 H new ATOM 1156 N LYS A 661 -11.501 0.532 5.151 1.00 63.43 N ATOM 1157 CA LYS A 661 -12.287 -0.600 4.708 1.00 35.44 C ATOM 1158 C LYS A 661 -11.459 -1.527 3.834 1.00 4.35 C ATOM 1159 O LYS A 661 -10.980 -1.126 2.763 1.00 72.21 O ATOM 1160 CB LYS A 661 -13.506 -0.156 3.910 1.00 54.13 C ATOM 1161 CG LYS A 661 -14.397 0.858 4.580 1.00 51.12 C ATOM 1162 CD LYS A 661 -14.863 0.387 5.926 1.00 44.25 C ATOM 1163 CE LYS A 661 -15.935 1.299 6.446 1.00 71.14 C ATOM 1164 NZ LYS A 661 -15.455 2.687 6.597 1.00 62.14 N ATOM 0 H LYS A 661 -11.671 1.398 4.640 1.00 63.43 H new ATOM 0 HA LYS A 661 -12.613 -1.125 5.606 1.00 35.44 H new ATOM 0 HB2 LYS A 661 -13.164 0.259 2.962 1.00 54.13 H new ATOM 0 HB3 LYS A 661 -14.103 -1.037 3.675 1.00 54.13 H new ATOM 0 HG2 LYS A 661 -13.858 1.799 4.691 1.00 51.12 H new ATOM 0 HG3 LYS A 661 -15.261 1.058 3.946 1.00 51.12 H new ATOM 0 HD2 LYS A 661 -15.245 -0.631 5.852 1.00 44.25 H new ATOM 0 HD3 LYS A 661 -14.025 0.363 6.622 1.00 44.25 H new ATOM 0 HE2 LYS A 661 -16.787 1.282 5.766 1.00 71.14 H new ATOM 0 HE3 LYS A 661 -16.288 0.931 7.409 1.00 71.14 H new ATOM 0 HZ1 LYS A 661 -16.141 3.233 7.157 1.00 62.14 H new ATOM 0 HZ2 LYS A 661 -14.535 2.685 7.082 1.00 62.14 H new ATOM 0 HZ3 LYS A 661 -15.350 3.122 5.658 1.00 62.14 H new ATOM 1178 N LEU A 662 -11.281 -2.739 4.284 1.00 33.53 N ATOM 1179 CA LEU A 662 -10.608 -3.740 3.497 1.00 2.41 C ATOM 1180 C LEU A 662 -11.628 -4.531 2.706 1.00 52.51 C ATOM 1181 O LEU A 662 -12.705 -4.866 3.214 1.00 3.24 O ATOM 1182 CB LEU A 662 -9.790 -4.688 4.369 1.00 31.12 C ATOM 1183 CG LEU A 662 -8.575 -4.124 5.098 1.00 44.24 C ATOM 1184 CD1 LEU A 662 -7.929 -5.223 5.896 1.00 22.33 C ATOM 1185 CD2 LEU A 662 -7.569 -3.553 4.122 1.00 44.10 C ATOM 0 H LEU A 662 -11.595 -3.061 5.200 1.00 33.53 H new ATOM 0 HA LEU A 662 -9.921 -3.231 2.821 1.00 2.41 H new ATOM 0 HB2 LEU A 662 -10.459 -5.115 5.116 1.00 31.12 H new ATOM 0 HB3 LEU A 662 -9.449 -5.510 3.739 1.00 31.12 H new ATOM 0 HG LEU A 662 -8.906 -3.320 5.756 1.00 44.24 H new ATOM 0 HD11 LEU A 662 -7.059 -4.828 6.421 1.00 22.33 H new ATOM 0 HD12 LEU A 662 -8.643 -5.615 6.621 1.00 22.33 H new ATOM 0 HD13 LEU A 662 -7.616 -6.024 5.226 1.00 22.33 H new ATOM 0 HD21 LEU A 662 -6.714 -3.158 4.670 1.00 44.10 H new ATOM 0 HD22 LEU A 662 -7.234 -4.338 3.444 1.00 44.10 H new ATOM 0 HD23 LEU A 662 -8.034 -2.751 3.548 1.00 44.10 H new ATOM 1193 N SER A 663 -11.302 -4.809 1.483 1.00 72.51 N ATOM 1194 CA SER A 663 -12.153 -5.557 0.604 1.00 42.41 C ATOM 1195 C SER A 663 -11.469 -6.881 0.280 1.00 22.42 C ATOM 1196 O SER A 663 -10.277 -6.926 0.065 1.00 71.30 O ATOM 1197 CB SER A 663 -12.394 -4.750 -0.671 1.00 40.12 C ATOM 1198 OG SER A 663 -12.903 -3.460 -0.347 1.00 44.35 O ATOM 0 H SER A 663 -10.422 -4.519 1.057 1.00 72.51 H new ATOM 0 HA SER A 663 -13.115 -5.755 1.076 1.00 42.41 H new ATOM 0 HB2 SER A 663 -11.463 -4.652 -1.230 1.00 40.12 H new ATOM 0 HB3 SER A 663 -13.099 -5.276 -1.315 1.00 40.12 H new ATOM 0 HG SER A 663 -13.052 -2.951 -1.171 1.00 44.35 H new ATOM 1204 N TYR A 664 -12.204 -7.925 0.257 1.00 60.14 N ATOM 1205 CA TYR A 664 -11.644 -9.221 0.030 1.00 54.33 C ATOM 1206 C TYR A 664 -12.150 -9.743 -1.292 1.00 42.31 C ATOM 1207 O TYR A 664 -13.349 -9.710 -1.558 1.00 55.24 O ATOM 1208 CB TYR A 664 -12.104 -10.162 1.158 1.00 4.22 C ATOM 1209 CG TYR A 664 -11.389 -11.509 1.277 1.00 43.31 C ATOM 1210 CD1 TYR A 664 -11.210 -12.360 0.192 1.00 0.55 C ATOM 1211 CD2 TYR A 664 -10.903 -11.918 2.497 1.00 31.14 C ATOM 1212 CE1 TYR A 664 -10.571 -13.571 0.323 1.00 53.43 C ATOM 1213 CE2 TYR A 664 -10.265 -13.133 2.641 1.00 3.13 C ATOM 1214 CZ TYR A 664 -10.104 -13.954 1.551 1.00 31.31 C ATOM 1215 OH TYR A 664 -9.468 -15.176 1.696 1.00 41.23 O ATOM 0 H TYR A 664 -13.215 -7.917 0.394 1.00 60.14 H new ATOM 0 HA TYR A 664 -10.555 -9.167 0.014 1.00 54.33 H new ATOM 0 HB2 TYR A 664 -11.992 -9.635 2.105 1.00 4.22 H new ATOM 0 HB3 TYR A 664 -13.169 -10.355 1.025 1.00 4.22 H new ATOM 0 HD1 TYR A 664 -11.582 -12.063 -0.777 1.00 0.55 H new ATOM 0 HD2 TYR A 664 -11.023 -11.277 3.358 1.00 31.14 H new ATOM 0 HE1 TYR A 664 -10.439 -14.213 -0.535 1.00 53.43 H new ATOM 0 HE2 TYR A 664 -9.893 -13.438 3.608 1.00 3.13 H new ATOM 0 HH TYR A 664 -9.017 -15.411 0.858 1.00 41.23 H new ATOM 1225 N TYR A 665 -11.233 -10.162 -2.107 1.00 21.51 N ATOM 1226 CA TYR A 665 -11.498 -10.827 -3.346 1.00 63.23 C ATOM 1227 C TYR A 665 -10.892 -12.181 -3.226 1.00 71.22 C ATOM 1228 O TYR A 665 -9.839 -12.297 -2.612 1.00 40.51 O ATOM 1229 CB TYR A 665 -10.865 -10.071 -4.498 1.00 14.23 C ATOM 1230 CG TYR A 665 -11.543 -8.772 -4.739 1.00 10.12 C ATOM 1231 CD1 TYR A 665 -12.665 -8.727 -5.527 1.00 22.02 C ATOM 1232 CD2 TYR A 665 -11.090 -7.602 -4.164 1.00 24.32 C ATOM 1233 CE1 TYR A 665 -13.322 -7.560 -5.748 1.00 3.22 C ATOM 1234 CE2 TYR A 665 -11.749 -6.415 -4.375 1.00 31.25 C ATOM 1235 CZ TYR A 665 -12.864 -6.397 -5.170 1.00 30.13 C ATOM 1236 OH TYR A 665 -13.533 -5.220 -5.384 1.00 44.24 O ATOM 0 H TYR A 665 -10.237 -10.045 -1.920 1.00 21.51 H new ATOM 0 HA TYR A 665 -12.568 -10.884 -3.544 1.00 63.23 H new ATOM 0 HB2 TYR A 665 -9.810 -9.897 -4.284 1.00 14.23 H new ATOM 0 HB3 TYR A 665 -10.911 -10.679 -5.402 1.00 14.23 H new ATOM 0 HD1 TYR A 665 -13.032 -9.636 -5.980 1.00 22.02 H new ATOM 0 HD2 TYR A 665 -10.208 -7.620 -3.541 1.00 24.32 H new ATOM 0 HE1 TYR A 665 -14.201 -7.544 -6.375 1.00 3.22 H new ATOM 0 HE2 TYR A 665 -11.391 -5.504 -3.918 1.00 31.25 H new ATOM 0 HH TYR A 665 -13.081 -4.495 -4.905 1.00 44.24 H new ATOM 1246 N ASP A 666 -11.536 -13.213 -3.737 1.00 42.00 N ATOM 1247 CA ASP A 666 -10.994 -14.569 -3.561 1.00 24.54 C ATOM 1248 C ASP A 666 -9.557 -14.634 -4.069 1.00 63.40 C ATOM 1249 O ASP A 666 -9.289 -14.393 -5.252 1.00 15.42 O ATOM 1250 CB ASP A 666 -11.846 -15.608 -4.295 1.00 24.12 C ATOM 1251 CG ASP A 666 -11.378 -17.033 -4.034 1.00 2.43 C ATOM 1252 OD1 ASP A 666 -10.520 -17.559 -4.788 1.00 23.33 O ATOM 1253 OD2 ASP A 666 -11.870 -17.655 -3.076 1.00 53.41 O ATOM 0 H ASP A 666 -12.408 -13.156 -4.263 1.00 42.00 H new ATOM 0 HA ASP A 666 -11.013 -14.798 -2.496 1.00 24.54 H new ATOM 0 HB2 ASP A 666 -12.885 -15.507 -3.983 1.00 24.12 H new ATOM 0 HB3 ASP A 666 -11.814 -15.409 -5.366 1.00 24.12 H new ATOM 1258 N GLY A 667 -8.648 -14.945 -3.173 1.00 13.23 N ATOM 1259 CA GLY A 667 -7.258 -15.008 -3.514 1.00 23.52 C ATOM 1260 C GLY A 667 -6.443 -13.859 -2.924 1.00 30.43 C ATOM 1261 O GLY A 667 -5.296 -14.061 -2.499 1.00 62.41 O ATOM 0 H GLY A 667 -8.856 -15.159 -2.197 1.00 13.23 H new ATOM 0 HA2 GLY A 667 -6.847 -15.955 -3.163 1.00 23.52 H new ATOM 0 HA3 GLY A 667 -7.156 -14.998 -4.599 1.00 23.52 H new ATOM 1265 N MET A 668 -7.022 -12.660 -2.865 1.00 61.40 N ATOM 1266 CA MET A 668 -6.278 -11.495 -2.399 1.00 11.24 C ATOM 1267 C MET A 668 -7.176 -10.407 -1.839 1.00 1.42 C ATOM 1268 O MET A 668 -8.259 -10.136 -2.349 1.00 3.40 O ATOM 1269 CB MET A 668 -5.356 -10.895 -3.491 1.00 3.03 C ATOM 1270 CG MET A 668 -6.050 -10.348 -4.747 1.00 33.52 C ATOM 1271 SD MET A 668 -6.855 -11.614 -5.753 1.00 51.21 S ATOM 1272 CE MET A 668 -7.536 -10.608 -7.068 1.00 34.52 C ATOM 0 H MET A 668 -7.989 -12.473 -3.130 1.00 61.40 H new ATOM 0 HA MET A 668 -5.652 -11.872 -1.590 1.00 11.24 H new ATOM 0 HB2 MET A 668 -4.776 -10.088 -3.043 1.00 3.03 H new ATOM 0 HB3 MET A 668 -4.647 -11.664 -3.800 1.00 3.03 H new ATOM 0 HG2 MET A 668 -6.794 -9.610 -4.446 1.00 33.52 H new ATOM 0 HG3 MET A 668 -5.313 -9.827 -5.359 1.00 33.52 H new ATOM 0 HE1 MET A 668 -8.067 -11.245 -7.776 1.00 34.52 H new ATOM 0 HE2 MET A 668 -8.228 -9.878 -6.647 1.00 34.52 H new ATOM 0 HE3 MET A 668 -6.729 -10.087 -7.583 1.00 34.52 H new ATOM 1282 N ILE A 669 -6.711 -9.783 -0.806 1.00 72.31 N ATOM 1283 CA ILE A 669 -7.420 -8.700 -0.184 1.00 15.35 C ATOM 1284 C ILE A 669 -6.988 -7.394 -0.862 1.00 51.21 C ATOM 1285 O ILE A 669 -5.830 -7.230 -1.200 1.00 64.34 O ATOM 1286 CB ILE A 669 -7.184 -8.637 1.388 1.00 0.32 C ATOM 1287 CG1 ILE A 669 -7.754 -9.881 2.133 1.00 5.43 C ATOM 1288 CG2 ILE A 669 -7.738 -7.363 2.005 1.00 52.50 C ATOM 1289 CD1 ILE A 669 -7.028 -11.191 1.877 1.00 4.01 C ATOM 0 H ILE A 669 -5.821 -10.009 -0.362 1.00 72.31 H new ATOM 0 HA ILE A 669 -8.490 -8.859 -0.315 1.00 15.35 H new ATOM 0 HB ILE A 669 -6.102 -8.637 1.516 1.00 0.32 H new ATOM 0 HG12 ILE A 669 -7.736 -9.680 3.204 1.00 5.43 H new ATOM 0 HG13 ILE A 669 -8.799 -10.004 1.849 1.00 5.43 H new ATOM 0 HG21 ILE A 669 -7.552 -7.368 3.079 1.00 52.50 H new ATOM 0 HG22 ILE A 669 -7.249 -6.499 1.556 1.00 52.50 H new ATOM 0 HG23 ILE A 669 -8.811 -7.307 1.823 1.00 52.50 H new ATOM 0 HD11 ILE A 669 -7.507 -11.989 2.444 1.00 4.01 H new ATOM 0 HD12 ILE A 669 -7.067 -11.427 0.814 1.00 4.01 H new ATOM 0 HD13 ILE A 669 -5.988 -11.098 2.190 1.00 4.01 H new ATOM 1296 N GLN A 670 -7.919 -6.524 -1.107 1.00 3.03 N ATOM 1297 CA GLN A 670 -7.661 -5.248 -1.734 1.00 62.12 C ATOM 1298 C GLN A 670 -8.237 -4.132 -0.876 1.00 21.31 C ATOM 1299 O GLN A 670 -9.264 -4.298 -0.246 1.00 13.51 O ATOM 1300 CB GLN A 670 -8.263 -5.202 -3.154 1.00 42.41 C ATOM 1301 CG GLN A 670 -7.540 -6.071 -4.198 1.00 55.34 C ATOM 1302 CD GLN A 670 -8.264 -6.140 -5.541 1.00 32.53 C ATOM 1303 OE1 GLN A 670 -9.005 -5.113 -5.871 1.00 3.43 O flip ATOM 1304 NE2 GLN A 670 -8.168 -7.130 -6.267 1.00 5.04 N flip ATOM 0 H GLN A 670 -8.901 -6.676 -0.875 1.00 3.03 H new ATOM 0 HA GLN A 670 -6.583 -5.112 -1.822 1.00 62.12 H new ATOM 0 HB2 GLN A 670 -9.305 -5.517 -3.100 1.00 42.41 H new ATOM 0 HB3 GLN A 670 -8.260 -4.168 -3.500 1.00 42.41 H new ATOM 0 HG2 GLN A 670 -6.536 -5.676 -4.355 1.00 55.34 H new ATOM 0 HG3 GLN A 670 -7.427 -7.081 -3.803 1.00 55.34 H new ATOM 0 HE21 GLN A 670 -7.583 -7.916 -5.983 1.00 5.04 H new ATOM 0 HE22 GLN A 670 -8.674 -7.164 -7.152 1.00 5.04 H new ATOM 1312 N LEU A 671 -7.583 -3.019 -0.843 1.00 53.23 N ATOM 1313 CA LEU A 671 -8.067 -1.892 -0.079 1.00 1.41 C ATOM 1314 C LEU A 671 -8.299 -0.769 -1.071 1.00 53.20 C ATOM 1315 O LEU A 671 -7.433 -0.480 -1.892 1.00 22.34 O ATOM 1316 CB LEU A 671 -7.016 -1.497 0.999 1.00 71.44 C ATOM 1317 CG LEU A 671 -7.450 -0.547 2.159 1.00 14.44 C ATOM 1318 CD1 LEU A 671 -6.304 -0.349 3.131 1.00 20.13 C ATOM 1319 CD2 LEU A 671 -7.925 0.800 1.667 1.00 4.22 C ATOM 0 H LEU A 671 -6.705 -2.854 -1.336 1.00 53.23 H new ATOM 0 HA LEU A 671 -8.992 -2.123 0.450 1.00 1.41 H new ATOM 0 HB2 LEU A 671 -6.642 -2.417 1.448 1.00 71.44 H new ATOM 0 HB3 LEU A 671 -6.176 -1.029 0.485 1.00 71.44 H new ATOM 0 HG LEU A 671 -8.290 -1.030 2.658 1.00 14.44 H new ATOM 0 HD11 LEU A 671 -6.620 0.316 3.935 1.00 20.13 H new ATOM 0 HD12 LEU A 671 -6.012 -1.312 3.550 1.00 20.13 H new ATOM 0 HD13 LEU A 671 -5.455 0.092 2.608 1.00 20.13 H new ATOM 0 HD21 LEU A 671 -8.213 1.417 2.518 1.00 4.22 H new ATOM 0 HD22 LEU A 671 -7.121 1.291 1.118 1.00 4.22 H new ATOM 0 HD23 LEU A 671 -8.784 0.665 1.009 1.00 4.22 H new ATOM 1327 N THR A 672 -9.461 -0.174 -1.024 1.00 70.31 N ATOM 1328 CA THR A 672 -9.812 0.872 -1.950 1.00 21.12 C ATOM 1329 C THR A 672 -10.015 2.187 -1.194 1.00 1.22 C ATOM 1330 O THR A 672 -10.829 2.254 -0.289 1.00 43.42 O ATOM 1331 CB THR A 672 -11.127 0.505 -2.667 1.00 44.32 C ATOM 1332 OG1 THR A 672 -11.027 -0.850 -3.146 1.00 24.11 O ATOM 1333 CG2 THR A 672 -11.366 1.434 -3.852 1.00 64.32 C ATOM 0 H THR A 672 -10.189 -0.399 -0.346 1.00 70.31 H new ATOM 0 HA THR A 672 -9.009 0.986 -2.678 1.00 21.12 H new ATOM 0 HB THR A 672 -11.957 0.606 -1.968 1.00 44.32 H new ATOM 0 HG1 THR A 672 -11.858 -1.098 -3.603 1.00 24.11 H new ATOM 0 HG21 THR A 672 -12.298 1.161 -4.346 1.00 64.32 H new ATOM 0 HG22 THR A 672 -11.430 2.464 -3.500 1.00 64.32 H new ATOM 0 HG23 THR A 672 -10.541 1.343 -4.558 1.00 64.32 H new ATOM 1339 N TYR A 673 -9.270 3.204 -1.552 1.00 30.03 N ATOM 1340 CA TYR A 673 -9.436 4.511 -0.938 1.00 63.52 C ATOM 1341 C TYR A 673 -10.351 5.389 -1.776 1.00 24.42 C ATOM 1342 O TYR A 673 -10.674 5.045 -2.909 1.00 73.03 O ATOM 1343 CB TYR A 673 -8.104 5.201 -0.684 1.00 52.13 C ATOM 1344 CG TYR A 673 -7.281 4.608 0.435 1.00 42.23 C ATOM 1345 CD1 TYR A 673 -7.562 4.936 1.743 1.00 41.14 C ATOM 1346 CD2 TYR A 673 -6.228 3.731 0.191 1.00 3.31 C ATOM 1347 CE1 TYR A 673 -6.842 4.419 2.783 1.00 32.45 C ATOM 1348 CE2 TYR A 673 -5.490 3.204 1.241 1.00 63.03 C ATOM 1349 CZ TYR A 673 -5.814 3.556 2.539 1.00 32.33 C ATOM 1350 OH TYR A 673 -5.118 3.031 3.597 1.00 34.02 O ATOM 0 H TYR A 673 -8.541 3.158 -2.264 1.00 30.03 H new ATOM 0 HA TYR A 673 -9.903 4.352 0.034 1.00 63.52 H new ATOM 0 HB2 TYR A 673 -7.516 5.172 -1.602 1.00 52.13 H new ATOM 0 HB3 TYR A 673 -8.293 6.251 -0.459 1.00 52.13 H new ATOM 0 HD1 TYR A 673 -8.372 5.619 1.952 1.00 41.14 H new ATOM 0 HD2 TYR A 673 -5.983 3.458 -0.825 1.00 3.31 H new ATOM 0 HE1 TYR A 673 -7.087 4.694 3.798 1.00 32.45 H new ATOM 0 HE2 TYR A 673 -4.672 2.526 1.047 1.00 63.03 H new ATOM 0 HH TYR A 673 -4.159 3.047 3.398 1.00 34.02 H new ATOM 1360 N ARG A 674 -10.729 6.532 -1.221 1.00 53.13 N ATOM 1361 CA ARG A 674 -11.741 7.400 -1.822 1.00 32.23 C ATOM 1362 C ARG A 674 -11.201 8.318 -2.896 1.00 11.34 C ATOM 1363 O ARG A 674 -10.023 8.337 -3.170 1.00 32.32 O ATOM 1364 CB ARG A 674 -12.428 8.212 -0.756 1.00 1.30 C ATOM 1365 CG ARG A 674 -13.133 7.374 0.293 1.00 73.23 C ATOM 1366 CD ARG A 674 -14.314 6.626 -0.322 1.00 43.23 C ATOM 1367 NE ARG A 674 -15.300 7.574 -0.864 1.00 43.31 N ATOM 1368 CZ ARG A 674 -15.853 7.522 -2.084 1.00 15.30 C ATOM 1369 NH1 ARG A 674 -15.526 6.564 -2.933 1.00 20.34 N ATOM 1370 NH2 ARG A 674 -16.732 8.448 -2.447 1.00 44.02 N ATOM 0 H ARG A 674 -10.346 6.886 -0.344 1.00 53.13 H new ATOM 0 HA ARG A 674 -12.453 6.736 -2.313 1.00 32.23 H new ATOM 0 HB2 ARG A 674 -11.691 8.847 -0.265 1.00 1.30 H new ATOM 0 HB3 ARG A 674 -13.155 8.873 -1.228 1.00 1.30 H new ATOM 0 HG2 ARG A 674 -12.432 6.662 0.729 1.00 73.23 H new ATOM 0 HG3 ARG A 674 -13.483 8.014 1.103 1.00 73.23 H new ATOM 0 HD2 ARG A 674 -13.961 5.967 -1.115 1.00 43.23 H new ATOM 0 HD3 ARG A 674 -14.784 5.995 0.432 1.00 43.23 H new ATOM 0 HE ARG A 674 -15.589 8.340 -0.256 1.00 43.31 H new ATOM 0 HH11 ARG A 674 -14.846 5.853 -2.663 1.00 20.34 H new ATOM 0 HH12 ARG A 674 -15.954 6.535 -3.859 1.00 20.34 H new ATOM 0 HH21 ARG A 674 -16.984 9.194 -1.799 1.00 44.02 H new ATOM 0 HH22 ARG A 674 -17.156 8.413 -3.374 1.00 44.02 H new ATOM 1382 N ASP A 675 -12.121 9.086 -3.457 1.00 12.10 N ATOM 1383 CA ASP A 675 -11.918 10.030 -4.569 1.00 5.10 C ATOM 1384 C ASP A 675 -10.755 11.031 -4.329 1.00 71.32 C ATOM 1385 O ASP A 675 -10.058 11.417 -5.266 1.00 12.13 O ATOM 1386 CB ASP A 675 -13.238 10.784 -4.802 1.00 21.23 C ATOM 1387 CG ASP A 675 -13.647 11.669 -3.644 1.00 11.44 C ATOM 1388 OD1 ASP A 675 -13.957 11.147 -2.543 1.00 55.13 O ATOM 1389 OD2 ASP A 675 -13.657 12.904 -3.808 1.00 63.11 O ATOM 0 H ASP A 675 -13.089 9.074 -3.137 1.00 12.10 H new ATOM 0 HA ASP A 675 -11.631 9.456 -5.450 1.00 5.10 H new ATOM 0 HB2 ASP A 675 -13.143 11.396 -5.699 1.00 21.23 H new ATOM 0 HB3 ASP A 675 -14.031 10.060 -4.992 1.00 21.23 H new ATOM 1394 N GLY A 676 -10.612 11.477 -3.093 1.00 43.12 N ATOM 1395 CA GLY A 676 -9.473 12.317 -2.683 1.00 71.23 C ATOM 1396 C GLY A 676 -9.325 13.615 -3.476 1.00 54.31 C ATOM 1397 O GLY A 676 -10.054 14.584 -3.238 1.00 23.33 O ATOM 0 H GLY A 676 -11.271 11.275 -2.341 1.00 43.12 H new ATOM 0 HA2 GLY A 676 -9.580 12.562 -1.626 1.00 71.23 H new ATOM 0 HA3 GLY A 676 -8.555 11.737 -2.784 1.00 71.23 H new ATOM 1401 N THR A 677 -8.389 13.631 -4.404 1.00 12.34 N ATOM 1402 CA THR A 677 -8.123 14.782 -5.236 1.00 43.52 C ATOM 1403 C THR A 677 -8.081 14.372 -6.715 1.00 1.11 C ATOM 1404 O THR A 677 -7.357 13.449 -7.079 1.00 14.31 O ATOM 1405 CB THR A 677 -6.784 15.450 -4.836 1.00 14.31 C ATOM 1406 OG1 THR A 677 -6.894 16.004 -3.519 1.00 64.20 O ATOM 1407 CG2 THR A 677 -6.365 16.536 -5.820 1.00 73.12 C ATOM 0 H THR A 677 -7.785 12.833 -4.602 1.00 12.34 H new ATOM 0 HA THR A 677 -8.928 15.502 -5.089 1.00 43.52 H new ATOM 0 HB THR A 677 -6.014 14.678 -4.854 1.00 14.31 H new ATOM 0 HG1 THR A 677 -6.045 16.424 -3.269 1.00 64.20 H new ATOM 0 HG21 THR A 677 -5.421 16.975 -5.497 1.00 73.12 H new ATOM 0 HG22 THR A 677 -6.243 16.101 -6.812 1.00 73.12 H new ATOM 0 HG23 THR A 677 -7.132 17.310 -5.856 1.00 73.12 H new ATOM 1413 N PRO A 678 -8.855 15.045 -7.582 1.00 62.41 N ATOM 1414 CA PRO A 678 -8.906 14.732 -8.997 1.00 52.22 C ATOM 1415 C PRO A 678 -7.658 15.155 -9.758 1.00 2.43 C ATOM 1416 O PRO A 678 -6.908 16.058 -9.325 1.00 71.35 O ATOM 1417 CB PRO A 678 -10.120 15.494 -9.511 1.00 53.45 C ATOM 1418 CG PRO A 678 -10.208 16.672 -8.602 1.00 24.35 C ATOM 1419 CD PRO A 678 -9.756 16.176 -7.250 1.00 20.13 C ATOM 0 HA PRO A 678 -8.969 13.654 -9.147 1.00 52.22 H new ATOM 0 HB2 PRO A 678 -9.992 15.798 -10.550 1.00 53.45 H new ATOM 0 HB3 PRO A 678 -11.023 14.885 -9.467 1.00 53.45 H new ATOM 0 HG2 PRO A 678 -9.574 17.486 -8.953 1.00 24.35 H new ATOM 0 HG3 PRO A 678 -11.227 17.058 -8.558 1.00 24.35 H new ATOM 0 HD2 PRO A 678 -9.236 16.953 -6.690 1.00 20.13 H new ATOM 0 HD3 PRO A 678 -10.598 15.853 -6.639 1.00 20.13 H new ATOM 1427 N TYR A 679 -7.420 14.460 -10.859 1.00 70.41 N ATOM 1428 CA TYR A 679 -6.332 14.768 -11.779 1.00 33.52 C ATOM 1429 C TYR A 679 -6.534 16.187 -12.340 1.00 10.23 C ATOM 1430 O TYR A 679 -7.590 16.807 -12.155 1.00 44.54 O ATOM 1431 CB TYR A 679 -6.320 13.783 -12.979 1.00 22.53 C ATOM 1432 CG TYR A 679 -6.201 12.301 -12.654 1.00 41.14 C ATOM 1433 CD1 TYR A 679 -7.326 11.539 -12.416 1.00 13.34 C ATOM 1434 CD2 TYR A 679 -4.973 11.665 -12.613 1.00 73.12 C ATOM 1435 CE1 TYR A 679 -7.249 10.198 -12.141 1.00 12.30 C ATOM 1436 CE2 TYR A 679 -4.885 10.312 -12.340 1.00 33.40 C ATOM 1437 CZ TYR A 679 -6.032 9.589 -12.107 1.00 21.34 C ATOM 1438 OH TYR A 679 -5.957 8.257 -11.822 1.00 35.45 O ATOM 0 H TYR A 679 -7.982 13.657 -11.144 1.00 70.41 H new ATOM 0 HA TYR A 679 -5.393 14.686 -11.232 1.00 33.52 H new ATOM 0 HB2 TYR A 679 -7.237 13.932 -13.549 1.00 22.53 H new ATOM 0 HB3 TYR A 679 -5.491 14.054 -13.632 1.00 22.53 H new ATOM 0 HD1 TYR A 679 -8.296 12.013 -12.447 1.00 13.34 H new ATOM 0 HD2 TYR A 679 -4.072 12.232 -12.796 1.00 73.12 H new ATOM 0 HE1 TYR A 679 -8.147 9.629 -11.953 1.00 12.30 H new ATOM 0 HE2 TYR A 679 -3.921 9.826 -12.310 1.00 33.40 H new ATOM 0 HH TYR A 679 -5.365 8.120 -11.054 1.00 35.45 H new ATOM 1533 N THR A 685 -11.144 14.082 -12.910 1.00 43.33 N ATOM 1534 CA THR A 685 -11.394 12.759 -12.425 1.00 12.42 C ATOM 1535 C THR A 685 -10.724 12.514 -11.079 1.00 72.53 C ATOM 1536 O THR A 685 -9.525 12.706 -10.953 1.00 71.24 O ATOM 1537 CB THR A 685 -10.880 11.744 -13.441 1.00 22.42 C ATOM 1538 OG1 THR A 685 -11.562 11.940 -14.684 1.00 1.50 O ATOM 1539 CG2 THR A 685 -11.097 10.342 -12.941 1.00 62.51 C ATOM 0 HA THR A 685 -12.470 12.648 -12.288 1.00 12.42 H new ATOM 0 HB THR A 685 -9.810 11.889 -13.586 1.00 22.42 H new ATOM 0 HG1 THR A 685 -11.837 12.877 -14.762 1.00 1.50 H new ATOM 0 HG21 THR A 685 -10.724 9.631 -13.678 1.00 62.51 H new ATOM 0 HG22 THR A 685 -10.562 10.204 -12.001 1.00 62.51 H new ATOM 0 HG23 THR A 685 -12.162 10.174 -12.780 1.00 62.51 H new ATOM 1545 N PRO A 686 -11.491 12.108 -10.057 1.00 51.31 N ATOM 1546 CA PRO A 686 -10.949 11.793 -8.736 1.00 42.21 C ATOM 1547 C PRO A 686 -9.981 10.605 -8.773 1.00 33.44 C ATOM 1548 O PRO A 686 -10.182 9.642 -9.522 1.00 11.42 O ATOM 1549 CB PRO A 686 -12.174 11.449 -7.895 1.00 32.24 C ATOM 1550 CG PRO A 686 -13.276 11.177 -8.858 1.00 23.13 C ATOM 1551 CD PRO A 686 -12.957 11.934 -10.110 1.00 50.53 C ATOM 0 HA PRO A 686 -10.373 12.627 -8.336 1.00 42.21 H new ATOM 0 HB2 PRO A 686 -11.983 10.579 -7.266 1.00 32.24 H new ATOM 0 HB3 PRO A 686 -12.433 12.272 -7.230 1.00 32.24 H new ATOM 0 HG2 PRO A 686 -13.356 10.109 -9.062 1.00 23.13 H new ATOM 0 HG3 PRO A 686 -14.234 11.495 -8.448 1.00 23.13 H new ATOM 0 HD2 PRO A 686 -13.262 11.382 -10.999 1.00 50.53 H new ATOM 0 HD3 PRO A 686 -13.472 12.894 -10.139 1.00 50.53 H new ATOM 1559 N ARG A 687 -8.948 10.687 -7.980 1.00 70.12 N ATOM 1560 CA ARG A 687 -7.936 9.655 -7.910 1.00 62.42 C ATOM 1561 C ARG A 687 -8.232 8.706 -6.773 1.00 1.50 C ATOM 1562 O ARG A 687 -8.563 9.131 -5.687 1.00 4.44 O ATOM 1563 CB ARG A 687 -6.572 10.275 -7.673 1.00 22.15 C ATOM 1564 CG ARG A 687 -6.025 11.106 -8.804 1.00 13.43 C ATOM 1565 CD ARG A 687 -4.742 11.764 -8.364 1.00 3.31 C ATOM 1566 NE ARG A 687 -4.032 12.435 -9.447 1.00 74.42 N ATOM 1567 CZ ARG A 687 -3.737 13.735 -9.477 1.00 13.14 C ATOM 1568 NH1 ARG A 687 -4.313 14.579 -8.611 1.00 35.11 N ATOM 1569 NH2 ARG A 687 -2.917 14.196 -10.401 1.00 73.31 N ATOM 0 H ARG A 687 -8.779 11.476 -7.357 1.00 70.12 H new ATOM 0 HA ARG A 687 -7.940 9.113 -8.856 1.00 62.42 H new ATOM 0 HB2 ARG A 687 -6.628 10.900 -6.782 1.00 22.15 H new ATOM 0 HB3 ARG A 687 -5.863 9.476 -7.458 1.00 22.15 H new ATOM 0 HG2 ARG A 687 -5.845 10.479 -9.677 1.00 13.43 H new ATOM 0 HG3 ARG A 687 -6.752 11.862 -9.100 1.00 13.43 H new ATOM 0 HD2 ARG A 687 -4.965 12.490 -7.582 1.00 3.31 H new ATOM 0 HD3 ARG A 687 -4.089 11.011 -7.924 1.00 3.31 H new ATOM 0 HE ARG A 687 -3.739 11.867 -10.242 1.00 74.42 H new ATOM 0 HH11 ARG A 687 -4.981 14.228 -7.924 1.00 35.11 H new ATOM 0 HH12 ARG A 687 -4.084 15.573 -8.638 1.00 35.11 H new ATOM 0 HH21 ARG A 687 -2.512 13.559 -11.087 1.00 73.31 H new ATOM 0 HH22 ARG A 687 -2.687 15.189 -10.429 1.00 73.31 H new ATOM 1581 N ALA A 688 -8.088 7.438 -7.018 1.00 32.54 N ATOM 1582 CA ALA A 688 -8.323 6.455 -5.994 1.00 63.50 C ATOM 1583 C ALA A 688 -7.133 5.522 -5.915 1.00 50.43 C ATOM 1584 O ALA A 688 -6.351 5.435 -6.857 1.00 50.11 O ATOM 1585 CB ALA A 688 -9.599 5.678 -6.288 1.00 64.44 C ATOM 0 H ALA A 688 -7.808 7.055 -7.921 1.00 32.54 H new ATOM 0 HA ALA A 688 -8.448 6.954 -5.033 1.00 63.50 H new ATOM 0 HB1 ALA A 688 -9.763 4.938 -5.505 1.00 64.44 H new ATOM 0 HB2 ALA A 688 -10.444 6.365 -6.321 1.00 64.44 H new ATOM 0 HB3 ALA A 688 -9.504 5.173 -7.249 1.00 64.44 H new ATOM 1591 N THR A 689 -6.983 4.851 -4.804 1.00 34.03 N ATOM 1592 CA THR A 689 -5.886 3.930 -4.608 1.00 2.50 C ATOM 1593 C THR A 689 -6.411 2.546 -4.284 1.00 53.24 C ATOM 1594 O THR A 689 -7.345 2.396 -3.477 1.00 44.45 O ATOM 1595 CB THR A 689 -4.949 4.412 -3.476 1.00 24.12 C ATOM 1596 OG1 THR A 689 -4.434 5.680 -3.817 1.00 3.34 O ATOM 1597 CG2 THR A 689 -3.790 3.450 -3.254 1.00 65.01 C ATOM 0 H THR A 689 -7.616 4.925 -4.007 1.00 34.03 H new ATOM 0 HA THR A 689 -5.314 3.890 -5.535 1.00 2.50 H new ATOM 0 HB THR A 689 -5.529 4.462 -2.554 1.00 24.12 H new ATOM 0 HG1 THR A 689 -5.146 6.351 -3.751 1.00 3.34 H new ATOM 0 HG21 THR A 689 -3.155 3.824 -2.451 1.00 65.01 H new ATOM 0 HG22 THR A 689 -4.179 2.469 -2.982 1.00 65.01 H new ATOM 0 HG23 THR A 689 -3.205 3.367 -4.170 1.00 65.01 H new ATOM 1603 N LEU A 690 -5.839 1.558 -4.918 1.00 10.34 N ATOM 1604 CA LEU A 690 -6.202 0.205 -4.712 1.00 71.20 C ATOM 1605 C LEU A 690 -4.936 -0.532 -4.312 1.00 23.40 C ATOM 1606 O LEU A 690 -3.982 -0.618 -5.085 1.00 25.21 O ATOM 1607 CB LEU A 690 -6.790 -0.370 -6.027 1.00 14.15 C ATOM 1608 CG LEU A 690 -7.533 -1.729 -5.988 1.00 3.34 C ATOM 1609 CD1 LEU A 690 -6.659 -2.863 -5.520 1.00 22.51 C ATOM 1610 CD2 LEU A 690 -8.779 -1.629 -5.145 1.00 72.14 C ATOM 0 H LEU A 690 -5.094 1.687 -5.603 1.00 10.34 H new ATOM 0 HA LEU A 690 -6.959 0.099 -3.935 1.00 71.20 H new ATOM 0 HB2 LEU A 690 -7.481 0.371 -6.430 1.00 14.15 H new ATOM 0 HB3 LEU A 690 -5.971 -0.463 -6.740 1.00 14.15 H new ATOM 0 HG LEU A 690 -7.817 -1.961 -7.015 1.00 3.34 H new ATOM 0 HD11 LEU A 690 -7.235 -3.788 -5.514 1.00 22.51 H new ATOM 0 HD12 LEU A 690 -5.809 -2.969 -6.194 1.00 22.51 H new ATOM 0 HD13 LEU A 690 -6.299 -2.653 -4.513 1.00 22.51 H new ATOM 0 HD21 LEU A 690 -9.287 -2.593 -5.130 1.00 72.14 H new ATOM 0 HD22 LEU A 690 -8.508 -1.346 -4.128 1.00 72.14 H new ATOM 0 HD23 LEU A 690 -9.444 -0.875 -5.567 1.00 72.14 H new ATOM 1618 N ILE A 691 -4.913 -1.024 -3.124 1.00 4.14 N ATOM 1619 CA ILE A 691 -3.785 -1.781 -2.659 1.00 1.45 C ATOM 1620 C ILE A 691 -4.165 -3.241 -2.695 1.00 41.05 C ATOM 1621 O ILE A 691 -5.121 -3.648 -2.042 1.00 4.13 O ATOM 1622 CB ILE A 691 -3.380 -1.369 -1.222 1.00 40.05 C ATOM 1623 CG1 ILE A 691 -3.098 0.141 -1.176 1.00 33.43 C ATOM 1624 CG2 ILE A 691 -2.133 -2.150 -0.784 1.00 15.55 C ATOM 1625 CD1 ILE A 691 -2.817 0.677 0.215 1.00 72.23 C ATOM 0 H ILE A 691 -5.666 -0.919 -2.444 1.00 4.14 H new ATOM 0 HA ILE A 691 -2.926 -1.588 -3.301 1.00 1.45 H new ATOM 0 HB ILE A 691 -4.198 -1.600 -0.540 1.00 40.05 H new ATOM 0 HG12 ILE A 691 -2.244 0.360 -1.817 1.00 33.43 H new ATOM 0 HG13 ILE A 691 -3.954 0.672 -1.592 1.00 33.43 H new ATOM 0 HG21 ILE A 691 -1.855 -1.854 0.228 1.00 15.55 H new ATOM 0 HG22 ILE A 691 -2.347 -3.219 -0.804 1.00 15.55 H new ATOM 0 HG23 ILE A 691 -1.310 -1.933 -1.465 1.00 15.55 H new ATOM 0 HD11 ILE A 691 -2.628 1.749 0.161 1.00 72.23 H new ATOM 0 HD12 ILE A 691 -3.678 0.492 0.857 1.00 72.23 H new ATOM 0 HD13 ILE A 691 -1.942 0.175 0.628 1.00 72.23 H new ATOM 1632 N THR A 692 -3.460 -3.996 -3.471 1.00 34.02 N ATOM 1633 CA THR A 692 -3.732 -5.386 -3.645 1.00 32.42 C ATOM 1634 C THR A 692 -2.732 -6.180 -2.808 1.00 63.13 C ATOM 1635 O THR A 692 -1.527 -6.076 -3.014 1.00 43.23 O ATOM 1636 CB THR A 692 -3.521 -5.750 -5.118 1.00 12.15 C ATOM 1637 OG1 THR A 692 -4.160 -4.769 -5.956 1.00 4.44 O ATOM 1638 CG2 THR A 692 -4.114 -7.110 -5.438 1.00 62.43 C ATOM 0 H THR A 692 -2.664 -3.659 -4.012 1.00 34.02 H new ATOM 0 HA THR A 692 -4.755 -5.611 -3.342 1.00 32.42 H new ATOM 0 HB THR A 692 -2.447 -5.775 -5.304 1.00 12.15 H new ATOM 0 HG1 THR A 692 -4.022 -5.003 -6.898 1.00 4.44 H new ATOM 0 HG21 THR A 692 -3.949 -7.341 -6.490 1.00 62.43 H new ATOM 0 HG22 THR A 692 -3.635 -7.870 -4.820 1.00 62.43 H new ATOM 0 HG23 THR A 692 -5.185 -7.097 -5.233 1.00 62.43 H new ATOM 1644 N PHE A 693 -3.220 -6.940 -1.881 1.00 60.23 N ATOM 1645 CA PHE A 693 -2.387 -7.713 -0.990 1.00 21.44 C ATOM 1646 C PHE A 693 -2.256 -9.125 -1.508 1.00 73.12 C ATOM 1647 O PHE A 693 -3.247 -9.805 -1.709 1.00 63.40 O ATOM 1648 CB PHE A 693 -3.004 -7.733 0.401 1.00 62.14 C ATOM 1649 CG PHE A 693 -3.156 -6.362 1.044 1.00 74.23 C ATOM 1650 CD1 PHE A 693 -4.129 -5.481 0.608 1.00 31.30 C ATOM 1651 CD2 PHE A 693 -2.329 -5.964 2.082 1.00 44.51 C ATOM 1652 CE1 PHE A 693 -4.280 -4.250 1.184 1.00 35.13 C ATOM 1653 CE2 PHE A 693 -2.481 -4.728 2.667 1.00 40.01 C ATOM 1654 CZ PHE A 693 -3.463 -3.872 2.212 1.00 44.31 C ATOM 0 H PHE A 693 -4.220 -7.049 -1.712 1.00 60.23 H new ATOM 0 HA PHE A 693 -1.398 -7.257 -0.939 1.00 21.44 H new ATOM 0 HB2 PHE A 693 -3.985 -8.204 0.343 1.00 62.14 H new ATOM 0 HB3 PHE A 693 -2.389 -8.358 1.049 1.00 62.14 H new ATOM 0 HD1 PHE A 693 -4.782 -5.771 -0.202 1.00 31.30 H new ATOM 0 HD2 PHE A 693 -1.557 -6.631 2.436 1.00 44.51 H new ATOM 0 HE1 PHE A 693 -5.045 -3.577 0.826 1.00 35.13 H new ATOM 0 HE2 PHE A 693 -1.835 -4.429 3.479 1.00 40.01 H new ATOM 0 HZ PHE A 693 -3.586 -2.901 2.669 1.00 44.31 H new ATOM 1664 N LEU A 694 -1.048 -9.566 -1.689 1.00 23.20 N ATOM 1665 CA LEU A 694 -0.771 -10.873 -2.237 1.00 30.14 C ATOM 1666 C LEU A 694 -0.147 -11.750 -1.202 1.00 4.23 C ATOM 1667 O LEU A 694 0.596 -11.281 -0.327 1.00 71.41 O ATOM 1668 CB LEU A 694 0.192 -10.794 -3.449 1.00 21.31 C ATOM 1669 CG LEU A 694 -0.333 -10.242 -4.792 1.00 14.23 C ATOM 1670 CD1 LEU A 694 -1.400 -11.137 -5.367 1.00 42.53 C ATOM 1671 CD2 LEU A 694 -0.842 -8.822 -4.672 1.00 54.54 C ATOM 0 H LEU A 694 -0.213 -9.027 -1.460 1.00 23.20 H new ATOM 0 HA LEU A 694 -1.724 -11.288 -2.564 1.00 30.14 H new ATOM 0 HB2 LEU A 694 1.043 -10.181 -3.153 1.00 21.31 H new ATOM 0 HB3 LEU A 694 0.571 -11.799 -3.633 1.00 21.31 H new ATOM 0 HG LEU A 694 0.516 -10.226 -5.476 1.00 14.23 H new ATOM 0 HD11 LEU A 694 -1.751 -10.724 -6.312 1.00 42.53 H new ATOM 0 HD12 LEU A 694 -0.988 -12.132 -5.537 1.00 42.53 H new ATOM 0 HD13 LEU A 694 -2.234 -11.204 -4.668 1.00 42.53 H new ATOM 0 HD21 LEU A 694 -1.200 -8.480 -5.643 1.00 54.54 H new ATOM 0 HD22 LEU A 694 -1.659 -8.788 -3.952 1.00 54.54 H new ATOM 0 HD23 LEU A 694 -0.034 -8.173 -4.334 1.00 54.54 H new ATOM 1679 N CYS A 695 -0.449 -13.003 -1.308 1.00 15.33 N ATOM 1680 CA CYS A 695 0.070 -14.013 -0.436 1.00 63.33 C ATOM 1681 C CYS A 695 1.317 -14.585 -1.054 1.00 1.11 C ATOM 1682 O CYS A 695 1.256 -15.224 -2.112 1.00 54.15 O ATOM 1683 CB CYS A 695 -0.970 -15.125 -0.242 1.00 11.30 C ATOM 1684 SG CYS A 695 -0.395 -16.570 0.724 1.00 32.21 S ATOM 0 H CYS A 695 -1.081 -13.365 -2.022 1.00 15.33 H new ATOM 0 HA CYS A 695 0.300 -13.578 0.537 1.00 63.33 H new ATOM 0 HB2 CYS A 695 -1.843 -14.701 0.254 1.00 11.30 H new ATOM 0 HB3 CYS A 695 -1.296 -15.470 -1.223 1.00 11.30 H new ATOM 1745 N GLY A 700 7.216 -10.509 4.740 1.00 61.34 N ATOM 1746 CA GLY A 700 7.186 -10.130 6.119 1.00 3.42 C ATOM 1747 C GLY A 700 6.035 -9.214 6.282 1.00 41.34 C ATOM 1748 O GLY A 700 4.890 -9.633 6.078 1.00 73.25 O ATOM 0 HA2 GLY A 700 7.078 -11.006 6.759 1.00 3.42 H new ATOM 0 HA3 GLY A 700 8.116 -9.639 6.406 1.00 3.42 H new ATOM 1752 N VAL A 701 6.299 -7.963 6.588 1.00 50.45 N ATOM 1753 CA VAL A 701 5.269 -6.997 6.598 1.00 71.03 C ATOM 1754 C VAL A 701 4.754 -6.791 5.195 1.00 61.12 C ATOM 1755 O VAL A 701 3.547 -6.798 4.949 1.00 33.41 O ATOM 1756 CB VAL A 701 5.718 -5.656 7.218 1.00 3.21 C ATOM 1757 CG1 VAL A 701 5.916 -5.804 8.690 1.00 32.12 C ATOM 1758 CG2 VAL A 701 6.983 -5.086 6.561 1.00 34.32 C ATOM 0 H VAL A 701 7.224 -7.609 6.831 1.00 50.45 H new ATOM 0 HA VAL A 701 4.467 -7.376 7.231 1.00 71.03 H new ATOM 0 HB VAL A 701 4.918 -4.940 7.030 1.00 3.21 H new ATOM 0 HG11 VAL A 701 6.232 -4.850 9.112 1.00 32.12 H new ATOM 0 HG12 VAL A 701 4.979 -6.113 9.154 1.00 32.12 H new ATOM 0 HG13 VAL A 701 6.681 -6.557 8.880 1.00 32.12 H new ATOM 0 HG21 VAL A 701 7.248 -4.143 7.040 1.00 34.32 H new ATOM 0 HG22 VAL A 701 7.803 -5.795 6.675 1.00 34.32 H new ATOM 0 HG23 VAL A 701 6.797 -4.915 5.501 1.00 34.32 H new ATOM 1764 N GLY A 702 5.672 -6.688 4.276 1.00 62.30 N ATOM 1765 CA GLY A 702 5.332 -6.469 2.940 1.00 50.31 C ATOM 1766 C GLY A 702 5.633 -5.076 2.543 1.00 32.21 C ATOM 1767 O GLY A 702 5.457 -4.150 3.318 1.00 65.21 O ATOM 0 H GLY A 702 6.674 -6.757 4.455 1.00 62.30 H new ATOM 0 HA2 GLY A 702 5.882 -7.161 2.302 1.00 50.31 H new ATOM 0 HA3 GLY A 702 4.272 -6.673 2.792 1.00 50.31 H new ATOM 1771 N PHE A 703 6.121 -4.932 1.379 1.00 23.34 N ATOM 1772 CA PHE A 703 6.441 -3.655 0.844 1.00 42.43 C ATOM 1773 C PHE A 703 5.687 -3.497 -0.444 1.00 51.44 C ATOM 1774 O PHE A 703 5.814 -4.333 -1.341 1.00 21.14 O ATOM 1775 CB PHE A 703 7.948 -3.525 0.628 1.00 62.04 C ATOM 1776 CG PHE A 703 8.730 -3.765 1.888 1.00 13.24 C ATOM 1777 CD1 PHE A 703 8.824 -2.782 2.855 1.00 25.44 C ATOM 1778 CD2 PHE A 703 9.359 -4.979 2.107 1.00 42.12 C ATOM 1779 CE1 PHE A 703 9.526 -3.005 4.018 1.00 50.12 C ATOM 1780 CE2 PHE A 703 10.066 -5.206 3.267 1.00 75.43 C ATOM 1781 CZ PHE A 703 10.148 -4.218 4.223 1.00 15.33 C ATOM 0 H PHE A 703 6.318 -5.709 0.749 1.00 23.34 H new ATOM 0 HA PHE A 703 6.153 -2.866 1.538 1.00 42.43 H new ATOM 0 HB2 PHE A 703 8.266 -4.236 -0.135 1.00 62.04 H new ATOM 0 HB3 PHE A 703 8.173 -2.528 0.248 1.00 62.04 H new ATOM 0 HD1 PHE A 703 8.342 -1.829 2.697 1.00 25.44 H new ATOM 0 HD2 PHE A 703 9.294 -5.756 1.360 1.00 42.12 H new ATOM 0 HE1 PHE A 703 9.589 -2.231 4.768 1.00 50.12 H new ATOM 0 HE2 PHE A 703 10.555 -6.156 3.426 1.00 75.43 H new ATOM 0 HZ PHE A 703 10.700 -4.394 5.134 1.00 15.33 H new ATOM 1791 N PRO A 704 4.855 -2.469 -0.535 1.00 71.24 N ATOM 1792 CA PRO A 704 4.034 -2.237 -1.708 1.00 44.21 C ATOM 1793 C PRO A 704 4.848 -1.832 -2.927 1.00 11.33 C ATOM 1794 O PRO A 704 5.846 -1.106 -2.823 1.00 61.54 O ATOM 1795 CB PRO A 704 3.112 -1.093 -1.284 1.00 33.12 C ATOM 1796 CG PRO A 704 3.838 -0.403 -0.180 1.00 1.11 C ATOM 1797 CD PRO A 704 4.640 -1.455 0.512 1.00 64.42 C ATOM 0 HA PRO A 704 3.506 -3.142 -2.009 1.00 44.21 H new ATOM 0 HB2 PRO A 704 2.918 -0.414 -2.114 1.00 33.12 H new ATOM 0 HB3 PRO A 704 2.146 -1.469 -0.947 1.00 33.12 H new ATOM 0 HG2 PRO A 704 4.483 0.384 -0.570 1.00 1.11 H new ATOM 0 HG3 PRO A 704 3.139 0.070 0.510 1.00 1.11 H new ATOM 0 HD2 PRO A 704 5.584 -1.059 0.886 1.00 64.42 H new ATOM 0 HD3 PRO A 704 4.106 -1.869 1.368 1.00 64.42 H new ATOM 1805 N GLU A 705 4.419 -2.307 -4.058 1.00 10.15 N ATOM 1806 CA GLU A 705 5.022 -1.992 -5.319 1.00 74.43 C ATOM 1807 C GLU A 705 3.987 -1.327 -6.196 1.00 12.30 C ATOM 1808 O GLU A 705 2.869 -1.816 -6.309 1.00 3.41 O ATOM 1809 CB GLU A 705 5.540 -3.282 -5.984 1.00 15.53 C ATOM 1810 CG GLU A 705 6.105 -3.100 -7.389 1.00 42.02 C ATOM 1811 CD GLU A 705 7.295 -2.161 -7.441 1.00 14.10 C ATOM 1812 OE1 GLU A 705 7.102 -0.931 -7.358 1.00 21.43 O ATOM 1813 OE2 GLU A 705 8.442 -2.639 -7.582 1.00 54.02 O ATOM 0 H GLU A 705 3.622 -2.939 -4.131 1.00 10.15 H new ATOM 0 HA GLU A 705 5.865 -1.316 -5.174 1.00 74.43 H new ATOM 0 HB2 GLU A 705 6.314 -3.714 -5.350 1.00 15.53 H new ATOM 0 HB3 GLU A 705 4.724 -4.004 -6.027 1.00 15.53 H new ATOM 0 HG2 GLU A 705 6.401 -4.072 -7.783 1.00 42.02 H new ATOM 0 HG3 GLU A 705 5.320 -2.717 -8.042 1.00 42.02 H new ATOM 1820 N TYR A 706 4.340 -0.234 -6.803 1.00 23.04 N ATOM 1821 CA TYR A 706 3.430 0.463 -7.669 1.00 2.10 C ATOM 1822 C TYR A 706 3.304 -0.284 -8.967 1.00 34.12 C ATOM 1823 O TYR A 706 4.293 -0.539 -9.643 1.00 21.22 O ATOM 1824 CB TYR A 706 3.869 1.918 -7.899 1.00 40.31 C ATOM 1825 CG TYR A 706 3.018 2.655 -8.905 1.00 65.12 C ATOM 1826 CD1 TYR A 706 1.705 2.990 -8.617 1.00 71.41 C ATOM 1827 CD2 TYR A 706 3.525 3.001 -10.149 1.00 0.53 C ATOM 1828 CE1 TYR A 706 0.927 3.645 -9.530 1.00 4.34 C ATOM 1829 CE2 TYR A 706 2.755 3.657 -11.069 1.00 3.22 C ATOM 1830 CZ TYR A 706 1.461 3.979 -10.763 1.00 13.11 C ATOM 1831 OH TYR A 706 0.700 4.638 -11.687 1.00 75.21 O ATOM 0 H TYR A 706 5.259 0.199 -6.715 1.00 23.04 H new ATOM 0 HA TYR A 706 2.452 0.505 -7.189 1.00 2.10 H new ATOM 0 HB2 TYR A 706 3.839 2.452 -6.949 1.00 40.31 H new ATOM 0 HB3 TYR A 706 4.905 1.927 -8.237 1.00 40.31 H new ATOM 0 HD1 TYR A 706 1.289 2.729 -7.655 1.00 71.41 H new ATOM 0 HD2 TYR A 706 4.546 2.748 -10.395 1.00 0.53 H new ATOM 0 HE1 TYR A 706 -0.095 3.900 -9.292 1.00 4.34 H new ATOM 0 HE2 TYR A 706 3.166 3.920 -12.032 1.00 3.22 H new ATOM 0 HH TYR A 706 1.231 4.795 -12.496 1.00 75.21 H new ATOM 1841 N GLN A 707 2.101 -0.665 -9.291 1.00 34.35 N ATOM 1842 CA GLN A 707 1.853 -1.393 -10.498 1.00 63.24 C ATOM 1843 C GLN A 707 1.599 -0.462 -11.651 1.00 52.11 C ATOM 1844 O GLN A 707 2.509 -0.179 -12.442 1.00 0.22 O ATOM 1845 CB GLN A 707 0.709 -2.390 -10.314 1.00 53.14 C ATOM 1846 CG GLN A 707 1.030 -3.505 -9.339 1.00 30.04 C ATOM 1847 CD GLN A 707 2.203 -4.345 -9.805 1.00 60.34 C ATOM 1848 OE1 GLN A 707 3.398 -3.963 -9.422 1.00 12.52 O flip ATOM 1849 NE2 GLN A 707 2.031 -5.331 -10.507 1.00 2.21 N flip ATOM 0 H GLN A 707 1.271 -0.480 -8.728 1.00 34.35 H new ATOM 0 HA GLN A 707 2.749 -1.966 -10.735 1.00 63.24 H new ATOM 0 HB2 GLN A 707 -0.175 -1.856 -9.965 1.00 53.14 H new ATOM 0 HB3 GLN A 707 0.458 -2.825 -11.281 1.00 53.14 H new ATOM 0 HG2 GLN A 707 1.255 -3.079 -8.361 1.00 30.04 H new ATOM 0 HG3 GLN A 707 0.154 -4.142 -9.215 1.00 30.04 H new ATOM 0 HE21 GLN A 707 1.088 -5.600 -10.787 1.00 2.21 H new ATOM 0 HE22 GLN A 707 2.831 -5.885 -10.813 1.00 2.21 H new ATOM 1857 N GLU A 708 0.392 0.050 -11.728 1.00 13.15 N ATOM 1858 CA GLU A 708 0.021 0.927 -12.802 1.00 12.00 C ATOM 1859 C GLU A 708 -1.269 1.636 -12.495 1.00 2.13 C ATOM 1860 O GLU A 708 -2.220 1.035 -11.982 1.00 11.02 O ATOM 1861 CB GLU A 708 -0.145 0.132 -14.121 1.00 41.23 C ATOM 1862 CG GLU A 708 -1.206 -0.973 -14.045 1.00 63.14 C ATOM 1863 CD GLU A 708 -1.371 -1.744 -15.328 1.00 63.22 C ATOM 1864 OE1 GLU A 708 -0.662 -2.749 -15.521 1.00 2.00 O ATOM 1865 OE2 GLU A 708 -2.235 -1.375 -16.154 1.00 64.35 O ATOM 0 H GLU A 708 -0.350 -0.131 -11.052 1.00 13.15 H new ATOM 0 HA GLU A 708 0.817 1.663 -12.916 1.00 12.00 H new ATOM 0 HB2 GLU A 708 -0.410 0.823 -14.921 1.00 41.23 H new ATOM 0 HB3 GLU A 708 0.813 -0.314 -14.389 1.00 41.23 H new ATOM 0 HG2 GLU A 708 -0.939 -1.666 -13.247 1.00 63.14 H new ATOM 0 HG3 GLU A 708 -2.163 -0.527 -13.774 1.00 63.14 H new ATOM 1872 N GLU A 709 -1.273 2.912 -12.693 1.00 25.31 N ATOM 1873 CA GLU A 709 -2.511 3.628 -12.748 1.00 12.33 C ATOM 1874 C GLU A 709 -2.965 3.498 -14.190 1.00 73.12 C ATOM 1875 O GLU A 709 -2.197 3.785 -15.114 1.00 53.12 O ATOM 1876 CB GLU A 709 -2.329 5.101 -12.337 1.00 34.45 C ATOM 1877 CG GLU A 709 -3.623 5.930 -12.170 1.00 2.13 C ATOM 1878 CD GLU A 709 -4.429 6.124 -13.442 1.00 23.34 C ATOM 1879 OE1 GLU A 709 -4.061 6.990 -14.261 1.00 45.21 O ATOM 1880 OE2 GLU A 709 -5.421 5.412 -13.636 1.00 43.41 O ATOM 0 H GLU A 709 -0.437 3.483 -12.820 1.00 25.31 H new ATOM 0 HA GLU A 709 -3.249 3.228 -12.052 1.00 12.33 H new ATOM 0 HB2 GLU A 709 -1.781 5.128 -11.395 1.00 34.45 H new ATOM 0 HB3 GLU A 709 -1.703 5.590 -13.084 1.00 34.45 H new ATOM 0 HG2 GLU A 709 -4.255 5.443 -11.428 1.00 2.13 H new ATOM 0 HG3 GLU A 709 -3.360 6.910 -11.771 1.00 2.13 H new ATOM 1887 N ASP A 710 -4.154 3.069 -14.374 1.00 72.10 N ATOM 1888 CA ASP A 710 -4.685 2.813 -15.705 1.00 31.04 C ATOM 1889 C ASP A 710 -6.188 2.834 -15.636 1.00 51.13 C ATOM 1890 O ASP A 710 -6.880 3.268 -16.553 1.00 20.42 O ATOM 1891 CB ASP A 710 -4.204 1.426 -16.176 1.00 53.43 C ATOM 1892 CG ASP A 710 -4.691 1.024 -17.557 1.00 21.35 C ATOM 1893 OD1 ASP A 710 -5.798 0.464 -17.665 1.00 2.53 O ATOM 1894 OD2 ASP A 710 -3.947 1.208 -18.545 1.00 22.53 O ATOM 0 H ASP A 710 -4.810 2.876 -13.617 1.00 72.10 H new ATOM 0 HA ASP A 710 -4.340 3.573 -16.406 1.00 31.04 H new ATOM 0 HB2 ASP A 710 -3.114 1.413 -16.171 1.00 53.43 H new ATOM 0 HB3 ASP A 710 -4.535 0.677 -15.456 1.00 53.43 H new ATOM 1899 N ASN A 711 -6.682 2.388 -14.522 1.00 5.54 N ATOM 1900 CA ASN A 711 -8.093 2.236 -14.293 1.00 74.45 C ATOM 1901 C ASN A 711 -8.658 3.347 -13.397 1.00 33.54 C ATOM 1902 O ASN A 711 -9.652 3.134 -12.728 1.00 61.30 O ATOM 1903 CB ASN A 711 -8.339 0.850 -13.658 1.00 14.40 C ATOM 1904 CG ASN A 711 -7.587 0.641 -12.339 1.00 42.13 C ATOM 1905 OD1 ASN A 711 -8.095 0.937 -11.279 1.00 13.03 O ATOM 1906 ND2 ASN A 711 -6.375 0.111 -12.407 1.00 44.44 N ATOM 0 H ASN A 711 -6.106 2.112 -13.727 1.00 5.54 H new ATOM 0 HA ASN A 711 -8.612 2.314 -15.248 1.00 74.45 H new ATOM 0 HB2 ASN A 711 -9.407 0.724 -13.482 1.00 14.40 H new ATOM 0 HB3 ASN A 711 -8.039 0.077 -14.365 1.00 14.40 H new ATOM 0 HD21 ASN A 711 -5.844 -0.058 -11.553 1.00 44.44 H new ATOM 0 HD22 ASN A 711 -5.973 -0.128 -13.313 1.00 44.44 H new ATOM 1912 N SER A 712 -8.017 4.550 -13.411 1.00 12.42 N ATOM 1913 CA SER A 712 -8.412 5.742 -12.599 1.00 35.32 C ATOM 1914 C SER A 712 -8.126 5.534 -11.113 1.00 25.50 C ATOM 1915 O SER A 712 -8.372 6.396 -10.263 1.00 22.23 O ATOM 1916 CB SER A 712 -9.859 6.298 -12.905 1.00 65.50 C ATOM 1917 OG SER A 712 -10.905 5.332 -12.734 1.00 51.14 O ATOM 0 H SER A 712 -7.199 4.723 -13.995 1.00 12.42 H new ATOM 0 HA SER A 712 -7.764 6.554 -12.929 1.00 35.32 H new ATOM 0 HB2 SER A 712 -10.055 7.149 -12.253 1.00 65.50 H new ATOM 0 HB3 SER A 712 -9.885 6.669 -13.930 1.00 65.50 H new ATOM 0 HG SER A 712 -10.537 4.519 -12.330 1.00 51.14 H new ATOM 1923 N THR A 713 -7.595 4.391 -10.826 1.00 44.51 N ATOM 1924 CA THR A 713 -7.226 4.004 -9.530 1.00 42.24 C ATOM 1925 C THR A 713 -5.768 3.523 -9.591 1.00 70.11 C ATOM 1926 O THR A 713 -5.372 2.828 -10.539 1.00 74.11 O ATOM 1927 CB THR A 713 -8.151 2.866 -9.051 1.00 41.02 C ATOM 1928 OG1 THR A 713 -9.521 3.270 -9.193 1.00 33.35 O ATOM 1929 CG2 THR A 713 -7.900 2.522 -7.606 1.00 22.43 C ATOM 0 H THR A 713 -7.403 3.679 -11.530 1.00 44.51 H new ATOM 0 HA THR A 713 -7.318 4.834 -8.830 1.00 42.24 H new ATOM 0 HB THR A 713 -7.942 1.988 -9.662 1.00 41.02 H new ATOM 0 HG1 THR A 713 -10.108 2.546 -8.890 1.00 33.35 H new ATOM 0 HG21 THR A 713 -8.569 1.717 -7.302 1.00 22.43 H new ATOM 0 HG22 THR A 713 -6.866 2.201 -7.483 1.00 22.43 H new ATOM 0 HG23 THR A 713 -8.083 3.399 -6.986 1.00 22.43 H new ATOM 1935 N TYR A 714 -4.985 3.935 -8.632 1.00 43.55 N ATOM 1936 CA TYR A 714 -3.594 3.568 -8.550 1.00 32.14 C ATOM 1937 C TYR A 714 -3.477 2.247 -7.835 1.00 0.11 C ATOM 1938 O TYR A 714 -3.906 2.124 -6.700 1.00 25.43 O ATOM 1939 CB TYR A 714 -2.802 4.645 -7.779 1.00 34.32 C ATOM 1940 CG TYR A 714 -2.774 6.011 -8.440 1.00 5.33 C ATOM 1941 CD1 TYR A 714 -3.897 6.830 -8.454 1.00 0.54 C ATOM 1942 CD2 TYR A 714 -1.620 6.482 -9.051 1.00 54.33 C ATOM 1943 CE1 TYR A 714 -3.869 8.066 -9.056 1.00 53.13 C ATOM 1944 CE2 TYR A 714 -1.589 7.722 -9.654 1.00 11.01 C ATOM 1945 CZ TYR A 714 -2.716 8.509 -9.652 1.00 75.53 C ATOM 1946 OH TYR A 714 -2.689 9.754 -10.248 1.00 12.13 O ATOM 0 H TYR A 714 -5.297 4.543 -7.875 1.00 43.55 H new ATOM 0 HA TYR A 714 -3.183 3.485 -9.556 1.00 32.14 H new ATOM 0 HB2 TYR A 714 -3.232 4.748 -6.783 1.00 34.32 H new ATOM 0 HB3 TYR A 714 -1.777 4.299 -7.650 1.00 34.32 H new ATOM 0 HD1 TYR A 714 -4.808 6.490 -7.984 1.00 0.54 H new ATOM 0 HD2 TYR A 714 -0.732 5.867 -9.054 1.00 54.33 H new ATOM 0 HE1 TYR A 714 -4.753 8.686 -9.059 1.00 53.13 H new ATOM 0 HE2 TYR A 714 -0.683 8.073 -10.126 1.00 11.01 H new ATOM 0 HH TYR A 714 -3.574 9.960 -10.615 1.00 12.13 H new ATOM 1956 N ASN A 715 -2.904 1.275 -8.483 1.00 50.52 N ATOM 1957 CA ASN A 715 -2.744 -0.042 -7.877 1.00 11.33 C ATOM 1958 C ASN A 715 -1.358 -0.267 -7.355 1.00 3.22 C ATOM 1959 O ASN A 715 -0.350 -0.002 -8.041 1.00 42.13 O ATOM 1960 CB ASN A 715 -3.061 -1.158 -8.863 1.00 71.32 C ATOM 1961 CG ASN A 715 -4.538 -1.409 -9.084 1.00 35.02 C ATOM 1962 OD1 ASN A 715 -5.165 -0.795 -9.950 1.00 34.51 O ATOM 1963 ND2 ASN A 715 -5.101 -2.344 -8.320 1.00 42.11 N ATOM 0 H ASN A 715 -2.536 1.356 -9.431 1.00 50.52 H new ATOM 0 HA ASN A 715 -3.450 -0.065 -7.047 1.00 11.33 H new ATOM 0 HB2 ASN A 715 -2.600 -0.919 -9.821 1.00 71.32 H new ATOM 0 HB3 ASN A 715 -2.599 -2.079 -8.508 1.00 71.32 H new ATOM 0 HD21 ASN A 715 -6.087 -2.575 -8.440 1.00 42.11 H new ATOM 0 HD22 ASN A 715 -4.546 -2.829 -7.615 1.00 42.11 H new ATOM 1969 N PHE A 716 -1.308 -0.749 -6.142 1.00 1.10 N ATOM 1970 CA PHE A 716 -0.090 -1.142 -5.501 1.00 10.24 C ATOM 1971 C PHE A 716 -0.182 -2.585 -5.141 1.00 30.33 C ATOM 1972 O PHE A 716 -1.214 -3.047 -4.673 1.00 3.43 O ATOM 1973 CB PHE A 716 0.203 -0.314 -4.251 1.00 73.12 C ATOM 1974 CG PHE A 716 0.441 1.130 -4.538 1.00 34.14 C ATOM 1975 CD1 PHE A 716 -0.607 2.027 -4.623 1.00 51.23 C ATOM 1976 CD2 PHE A 716 1.723 1.584 -4.739 1.00 75.44 C ATOM 1977 CE1 PHE A 716 -0.370 3.352 -4.907 1.00 21.24 C ATOM 1978 CE2 PHE A 716 1.964 2.899 -5.017 1.00 72.43 C ATOM 1979 CZ PHE A 716 0.921 3.784 -5.105 1.00 52.05 C ATOM 0 H PHE A 716 -2.136 -0.881 -5.561 1.00 1.10 H new ATOM 0 HA PHE A 716 0.730 -0.969 -6.198 1.00 10.24 H new ATOM 0 HB2 PHE A 716 -0.634 -0.406 -3.559 1.00 73.12 H new ATOM 0 HB3 PHE A 716 1.078 -0.726 -3.749 1.00 73.12 H new ATOM 0 HD1 PHE A 716 -1.619 1.685 -4.465 1.00 51.23 H new ATOM 0 HD2 PHE A 716 2.550 0.892 -4.676 1.00 75.44 H new ATOM 0 HE1 PHE A 716 -1.192 4.049 -4.974 1.00 21.24 H new ATOM 0 HE2 PHE A 716 2.977 3.242 -5.168 1.00 72.43 H new ATOM 0 HZ PHE A 716 1.113 4.823 -5.330 1.00 52.05 H new ATOM 1989 N ARG A 717 0.867 -3.284 -5.363 1.00 23.41 N ATOM 1990 CA ARG A 717 0.917 -4.672 -5.088 1.00 63.21 C ATOM 1991 C ARG A 717 1.725 -4.899 -3.825 1.00 53.33 C ATOM 1992 O ARG A 717 2.899 -4.562 -3.763 1.00 53.42 O ATOM 1993 CB ARG A 717 1.519 -5.400 -6.296 1.00 34.30 C ATOM 1994 CG ARG A 717 1.647 -6.881 -6.117 1.00 34.45 C ATOM 1995 CD ARG A 717 2.042 -7.590 -7.407 1.00 41.42 C ATOM 1996 NE ARG A 717 3.378 -7.220 -7.867 1.00 41.53 N ATOM 1997 CZ ARG A 717 3.933 -7.616 -9.017 1.00 61.10 C ATOM 1998 NH1 ARG A 717 3.263 -8.408 -9.849 1.00 41.11 N ATOM 1999 NH2 ARG A 717 5.171 -7.238 -9.314 1.00 60.32 N ATOM 0 H ARG A 717 1.731 -2.902 -5.748 1.00 23.41 H new ATOM 0 HA ARG A 717 -0.083 -5.072 -4.920 1.00 63.21 H new ATOM 0 HB2 ARG A 717 0.899 -5.203 -7.171 1.00 34.30 H new ATOM 0 HB3 ARG A 717 2.505 -4.984 -6.503 1.00 34.30 H new ATOM 0 HG2 ARG A 717 2.392 -7.088 -5.349 1.00 34.45 H new ATOM 0 HG3 ARG A 717 0.700 -7.284 -5.759 1.00 34.45 H new ATOM 0 HD2 ARG A 717 2.001 -8.668 -7.251 1.00 41.42 H new ATOM 0 HD3 ARG A 717 1.316 -7.353 -8.184 1.00 41.42 H new ATOM 0 HE ARG A 717 3.931 -6.612 -7.263 1.00 41.53 H new ATOM 0 HH11 ARG A 717 2.320 -8.717 -9.611 1.00 41.11 H new ATOM 0 HH12 ARG A 717 3.692 -8.707 -10.725 1.00 41.11 H new ATOM 0 HH21 ARG A 717 5.694 -6.648 -8.666 1.00 60.32 H new ATOM 0 HH22 ARG A 717 5.599 -7.537 -10.190 1.00 60.32 H new ATOM 2011 N TRP A 718 1.085 -5.443 -2.831 1.00 72.02 N ATOM 2012 CA TRP A 718 1.691 -5.673 -1.545 1.00 42.51 C ATOM 2013 C TRP A 718 1.948 -7.169 -1.406 1.00 34.40 C ATOM 2014 O TRP A 718 1.102 -7.970 -1.754 1.00 75.51 O ATOM 2015 CB TRP A 718 0.712 -5.207 -0.445 1.00 45.22 C ATOM 2016 CG TRP A 718 1.309 -5.107 0.922 1.00 34.32 C ATOM 2017 CD1 TRP A 718 1.769 -6.118 1.695 1.00 62.44 C ATOM 2018 CD2 TRP A 718 1.470 -3.917 1.687 1.00 33.41 C ATOM 2019 NE1 TRP A 718 2.244 -5.627 2.876 1.00 73.43 N ATOM 2020 CE2 TRP A 718 2.070 -4.284 2.904 1.00 61.41 C ATOM 2021 CE3 TRP A 718 1.177 -2.577 1.457 1.00 51.12 C ATOM 2022 CZ2 TRP A 718 2.387 -3.360 3.890 1.00 13.11 C ATOM 2023 CZ3 TRP A 718 1.484 -1.661 2.431 1.00 42.45 C ATOM 2024 CH2 TRP A 718 2.084 -2.055 3.628 1.00 45.51 C ATOM 0 H TRP A 718 0.112 -5.745 -2.889 1.00 72.02 H new ATOM 0 HA TRP A 718 2.627 -5.123 -1.450 1.00 42.51 H new ATOM 0 HB2 TRP A 718 0.311 -4.232 -0.724 1.00 45.22 H new ATOM 0 HB3 TRP A 718 -0.129 -5.899 -0.409 1.00 45.22 H new ATOM 0 HD1 TRP A 718 1.761 -7.162 1.417 1.00 62.44 H new ATOM 0 HE1 TRP A 718 2.664 -6.184 3.621 1.00 73.43 H new ATOM 0 HE3 TRP A 718 0.717 -2.264 0.531 1.00 51.12 H new ATOM 0 HZ2 TRP A 718 2.850 -3.659 4.819 1.00 13.11 H new ATOM 0 HZ3 TRP A 718 1.258 -0.618 2.269 1.00 42.45 H new ATOM 0 HH2 TRP A 718 2.316 -1.305 4.369 1.00 45.51 H new ATOM 2035 N TYR A 719 3.103 -7.538 -0.917 1.00 32.22 N ATOM 2036 CA TYR A 719 3.439 -8.951 -0.748 1.00 42.52 C ATOM 2037 C TYR A 719 3.501 -9.232 0.731 1.00 51.42 C ATOM 2038 O TYR A 719 4.439 -8.808 1.393 1.00 71.41 O ATOM 2039 CB TYR A 719 4.816 -9.238 -1.355 1.00 11.10 C ATOM 2040 CG TYR A 719 5.018 -8.596 -2.696 1.00 24.24 C ATOM 2041 CD1 TYR A 719 4.484 -9.141 -3.852 1.00 3.42 C ATOM 2042 CD2 TYR A 719 5.736 -7.413 -2.795 1.00 74.14 C ATOM 2043 CE1 TYR A 719 4.662 -8.524 -5.069 1.00 53.52 C ATOM 2044 CE2 TYR A 719 5.916 -6.789 -3.994 1.00 10.32 C ATOM 2045 CZ TYR A 719 5.386 -7.335 -5.130 1.00 55.43 C ATOM 2046 OH TYR A 719 5.577 -6.695 -6.333 1.00 74.24 O ATOM 0 H TYR A 719 3.835 -6.890 -0.625 1.00 32.22 H new ATOM 0 HA TYR A 719 2.693 -9.574 -1.242 1.00 42.52 H new ATOM 0 HB2 TYR A 719 5.588 -8.885 -0.671 1.00 11.10 H new ATOM 0 HB3 TYR A 719 4.945 -10.316 -1.453 1.00 11.10 H new ATOM 0 HD1 TYR A 719 3.921 -10.061 -3.798 1.00 3.42 H new ATOM 0 HD2 TYR A 719 6.162 -6.977 -1.903 1.00 74.14 H new ATOM 0 HE1 TYR A 719 4.245 -8.956 -5.967 1.00 53.52 H new ATOM 0 HE2 TYR A 719 6.475 -5.867 -4.046 1.00 10.32 H new ATOM 0 HH TYR A 719 6.491 -6.344 -6.375 1.00 74.24 H new ATOM 2056 N THR A 720 2.524 -9.905 1.270 1.00 23.53 N ATOM 2057 CA THR A 720 2.513 -10.105 2.686 1.00 1.15 C ATOM 2058 C THR A 720 2.100 -11.512 3.071 1.00 51.23 C ATOM 2059 O THR A 720 1.216 -12.122 2.458 1.00 34.45 O ATOM 2060 CB THR A 720 1.624 -9.058 3.426 1.00 13.22 C ATOM 2061 OG1 THR A 720 1.739 -9.232 4.839 1.00 63.34 O ATOM 2062 CG2 THR A 720 0.158 -9.185 3.027 1.00 21.33 C ATOM 0 H THR A 720 1.741 -10.316 0.761 1.00 23.53 H new ATOM 0 HA THR A 720 3.544 -9.960 3.009 1.00 1.15 H new ATOM 0 HB THR A 720 1.976 -8.067 3.140 1.00 13.22 H new ATOM 0 HG1 THR A 720 2.292 -8.515 5.213 1.00 63.34 H new ATOM 0 HG21 THR A 720 -0.431 -8.440 3.562 1.00 21.33 H new ATOM 0 HG22 THR A 720 0.058 -9.024 1.954 1.00 21.33 H new ATOM 0 HG23 THR A 720 -0.203 -10.182 3.279 1.00 21.33 H new ATOM 2068 N SER A 721 2.767 -12.018 4.065 1.00 60.52 N ATOM 2069 CA SER A 721 2.478 -13.287 4.635 1.00 24.24 C ATOM 2070 C SER A 721 1.153 -13.230 5.423 1.00 51.50 C ATOM 2071 O SER A 721 0.489 -14.239 5.626 1.00 72.01 O ATOM 2072 CB SER A 721 3.653 -13.702 5.504 1.00 11.23 C ATOM 2073 OG SER A 721 3.980 -12.669 6.429 1.00 13.21 O ATOM 0 H SER A 721 3.550 -11.539 4.511 1.00 60.52 H new ATOM 0 HA SER A 721 2.343 -14.038 3.856 1.00 24.24 H new ATOM 0 HB2 SER A 721 3.408 -14.617 6.043 1.00 11.23 H new ATOM 0 HB3 SER A 721 4.517 -13.923 4.877 1.00 11.23 H new ATOM 0 HG SER A 721 4.738 -12.953 6.982 1.00 13.21 H new ATOM 2079 N TYR A 722 0.777 -12.017 5.855 1.00 1.42 N ATOM 2080 CA TYR A 722 -0.436 -11.798 6.629 1.00 73.24 C ATOM 2081 C TYR A 722 -1.688 -11.977 5.774 1.00 22.33 C ATOM 2082 O TYR A 722 -2.788 -12.027 6.290 1.00 23.11 O ATOM 2083 CB TYR A 722 -0.416 -10.418 7.294 1.00 61.34 C ATOM 2084 CG TYR A 722 0.728 -10.230 8.278 1.00 75.43 C ATOM 2085 CD1 TYR A 722 1.966 -9.774 7.855 1.00 31.34 C ATOM 2086 CD2 TYR A 722 0.566 -10.519 9.624 1.00 2.24 C ATOM 2087 CE1 TYR A 722 3.010 -9.611 8.739 1.00 61.01 C ATOM 2088 CE2 TYR A 722 1.607 -10.356 10.519 1.00 31.22 C ATOM 2089 CZ TYR A 722 2.830 -9.902 10.067 1.00 72.31 C ATOM 2090 OH TYR A 722 3.881 -9.739 10.950 1.00 41.33 O ATOM 0 H TYR A 722 1.310 -11.167 5.674 1.00 1.42 H new ATOM 0 HA TYR A 722 -0.467 -12.554 7.414 1.00 73.24 H new ATOM 0 HB2 TYR A 722 -0.348 -9.653 6.521 1.00 61.34 H new ATOM 0 HB3 TYR A 722 -1.361 -10.262 7.815 1.00 61.34 H new ATOM 0 HD1 TYR A 722 2.116 -9.542 6.811 1.00 31.34 H new ATOM 0 HD2 TYR A 722 -0.389 -10.877 9.979 1.00 2.24 H new ATOM 0 HE1 TYR A 722 3.967 -9.255 8.387 1.00 61.01 H new ATOM 0 HE2 TYR A 722 1.464 -10.582 11.565 1.00 31.22 H new ATOM 0 HH TYR A 722 3.591 -9.987 11.853 1.00 41.33 H new ATOM 2100 N ALA A 723 -1.505 -12.062 4.461 1.00 13.50 N ATOM 2101 CA ALA A 723 -2.610 -12.290 3.540 1.00 72.25 C ATOM 2102 C ALA A 723 -2.734 -13.777 3.238 1.00 32.11 C ATOM 2103 O ALA A 723 -3.489 -14.193 2.350 1.00 53.43 O ATOM 2104 CB ALA A 723 -2.399 -11.510 2.250 1.00 22.43 C ATOM 0 H ALA A 723 -0.595 -11.976 4.009 1.00 13.50 H new ATOM 0 HA ALA A 723 -3.531 -11.942 4.007 1.00 72.25 H new ATOM 0 HB1 ALA A 723 -3.234 -11.692 1.574 1.00 22.43 H new ATOM 0 HB2 ALA A 723 -2.340 -10.445 2.474 1.00 22.43 H new ATOM 0 HB3 ALA A 723 -1.472 -11.833 1.777 1.00 22.43 H new ATOM 2110 N CYS A 724 -2.005 -14.565 3.980 1.00 14.12 N ATOM 2111 CA CYS A 724 -2.014 -16.000 3.815 1.00 3.14 C ATOM 2112 C CYS A 724 -2.747 -16.645 4.989 1.00 53.54 C ATOM 2113 O CYS A 724 -2.448 -16.339 6.150 1.00 13.41 O ATOM 2114 CB CYS A 724 -0.579 -16.519 3.740 1.00 5.11 C ATOM 2115 SG CYS A 724 0.410 -15.771 2.400 1.00 1.11 S ATOM 0 H CYS A 724 -1.385 -14.233 4.719 1.00 14.12 H new ATOM 0 HA CYS A 724 -2.530 -16.257 2.890 1.00 3.14 H new ATOM 0 HB2 CYS A 724 -0.084 -16.329 4.693 1.00 5.11 H new ATOM 0 HB3 CYS A 724 -0.601 -17.600 3.602 1.00 5.11 H new ATOM 2120 N PRO A 725 -3.737 -17.517 4.704 1.00 61.53 N ATOM 2121 CA PRO A 725 -4.526 -18.188 5.738 1.00 25.22 C ATOM 2122 C PRO A 725 -3.733 -19.289 6.449 1.00 20.34 C ATOM 2123 O PRO A 725 -3.223 -19.038 7.559 1.00 38.31 O ATOM 2124 CB PRO A 725 -5.715 -18.773 4.967 1.00 73.23 C ATOM 2125 CG PRO A 725 -5.224 -18.955 3.571 1.00 44.01 C ATOM 2126 CD PRO A 725 -4.163 -17.909 3.341 1.00 64.43 C ATOM 2127 OXT PRO A 725 -3.626 -20.417 5.909 1.00 38.31 O ATOM 0 HA PRO A 725 -4.826 -17.504 6.532 1.00 25.22 H new ATOM 0 HB2 PRO A 725 -6.036 -19.721 5.398 1.00 73.23 H new ATOM 0 HB3 PRO A 725 -6.573 -18.102 4.998 1.00 73.23 H new ATOM 0 HG2 PRO A 725 -4.816 -19.956 3.432 1.00 44.01 H new ATOM 0 HG3 PRO A 725 -6.040 -18.842 2.857 1.00 44.01 H new ATOM 0 HD2 PRO A 725 -3.330 -18.308 2.763 1.00 64.43 H new ATOM 0 HD3 PRO A 725 -4.557 -17.057 2.787 1.00 64.43 H new