USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 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= -0.392 K(o=-3.1,f=-1.7) USER MOD Set 1.2: A 715 ASN : amide:sc= -2.67! K(o=-3.1!,f=-1.7) USER MOD Set 2.1: A 644 GLN : amide:sc= -0.426 K(o=0.25,f=-2.2!) USER MOD Set 2.2: A 679 TYR OH : rot 41:sc= 0.429 USER MOD Set 2.3: A 714 TYR OH : rot 180:sc= 0.25 USER MOD Set 3.1: A 668 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 3.2: A 670 GLN : amide:sc= -2.42 K(o=-2.4,f=-5.4!) USER MOD Set 4.1: A 640 SER OG : rot 100:sc= 0.408 USER MOD Set 4.2: A 654 ASN : amide:sc= -5.62! K(o=-5.2!,f=-2.9) USER MOD Set 5.1: A 587 THR OG1 : rot 155:sc= 1.44 USER MOD Set 5.2: A 597 SER OG : rot 38:sc= 1.19 USER MOD Set 5.3: A 598 GLN : amide:sc= -0.0612 K(o=2.6,f=-1.6) USER MOD Set 6.1: A 591 ASN : amide:sc= 0.805 K(o=1.7,f=-6.9!) USER MOD Set 6.2: A 661 LYS NZ :NH3+ 177:sc= 0.864 (180deg=-0.0118) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot -170:sc= -0.787 USER MOD Single : A 609 THR OG1 : rot -90:sc= 1.41 USER MOD Single : A 610 LYS NZ :NH3+ 170:sc= 1.42 (180deg=1.32) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 30:sc= -0.198 USER MOD Single : A 615 LYS NZ :NH3+ -164:sc= 0.546 (180deg=0.418) USER MOD Single : A 618 THR OG1 : rot -59:sc= 1.31 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 HE2:sc= -3.44! C(o=-3.2!,f=-7.3!) USER MOD Single : A 626 ASN : amide:sc= 0.714 K(o=0.71,f=-8.2!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 646 SER OG : rot 171:sc= 2.16 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 173:sc= -0.515! USER MOD Single : A 658 SER OG : rot 43:sc= 0.121 USER MOD Single : A 659 ASN : amide:sc= -0.0237 K(o=-0.024,f=-4.6!) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -140:sc= 1.13 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 685 THR OG1 : rot 32:sc= 0.144 USER MOD Single : A 689 THR OG1 : rot 78:sc= 0.511 USER MOD Single : A 692 THR OG1 : rot 180:sc= 0 USER MOD Single : A 706 TYR OH : rot 70:sc= -0.16 USER MOD Single : A 707 GLN : amide:sc= -2.43! C(o=-2.4!,f=-11!) USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 THR OG1 : rot 160:sc= -0.0315 USER MOD Single : A 719 TYR OH : rot 30:sc= -0.435 USER MOD Single : A 720 THR OG1 : rot 92:sc= 0.704 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -16.307 -8.629 -0.861 1.00 62.44 N ATOM 137 CA THR A 587 -16.705 -8.422 0.495 1.00 13.50 C ATOM 138 C THR A 587 -16.039 -7.155 1.007 1.00 23.23 C ATOM 139 O THR A 587 -14.835 -7.007 0.884 1.00 62.23 O ATOM 140 CB THR A 587 -16.250 -9.610 1.354 1.00 31.02 C ATOM 141 OG1 THR A 587 -16.832 -10.827 0.863 1.00 51.13 O ATOM 142 CG2 THR A 587 -16.606 -9.413 2.813 1.00 23.20 C ATOM 0 HA THR A 587 -17.790 -8.331 0.552 1.00 13.50 H new ATOM 0 HB THR A 587 -15.164 -9.675 1.283 1.00 31.02 H new ATOM 0 HG1 THR A 587 -16.266 -11.586 1.116 1.00 51.13 H new ATOM 0 HG21 THR A 587 -16.268 -10.274 3.389 1.00 23.20 H new ATOM 0 HG22 THR A 587 -16.120 -8.512 3.188 1.00 23.20 H new ATOM 0 HG23 THR A 587 -17.687 -9.311 2.913 1.00 23.20 H new ATOM 148 N GLU A 588 -16.790 -6.236 1.534 1.00 24.22 N ATOM 149 CA GLU A 588 -16.180 -5.073 2.108 1.00 41.51 C ATOM 150 C GLU A 588 -16.257 -5.238 3.609 1.00 11.20 C ATOM 151 O GLU A 588 -17.345 -5.380 4.170 1.00 33.41 O ATOM 152 CB GLU A 588 -16.846 -3.781 1.608 1.00 12.21 C ATOM 153 CG GLU A 588 -16.070 -2.516 1.962 1.00 14.14 C ATOM 154 CD GLU A 588 -16.642 -1.273 1.317 1.00 71.10 C ATOM 155 OE1 GLU A 588 -16.550 -1.142 0.073 1.00 53.12 O ATOM 156 OE2 GLU A 588 -17.190 -0.418 2.027 1.00 32.23 O ATOM 0 H GLU A 588 -17.809 -6.265 1.579 1.00 24.22 H new ATOM 0 HA GLU A 588 -15.138 -4.981 1.802 1.00 41.51 H new ATOM 0 HB2 GLU A 588 -16.959 -3.836 0.525 1.00 12.21 H new ATOM 0 HB3 GLU A 588 -17.848 -3.712 2.030 1.00 12.21 H new ATOM 0 HG2 GLU A 588 -16.067 -2.389 3.045 1.00 14.14 H new ATOM 0 HG3 GLU A 588 -15.032 -2.635 1.652 1.00 14.14 H new ATOM 163 N GLY A 589 -15.116 -5.260 4.243 1.00 31.54 N ATOM 164 CA GLY A 589 -15.057 -5.578 5.636 1.00 60.31 C ATOM 165 C GLY A 589 -15.143 -4.391 6.546 1.00 62.10 C ATOM 166 O GLY A 589 -16.025 -3.536 6.410 1.00 23.42 O ATOM 0 H GLY A 589 -14.214 -5.060 3.811 1.00 31.54 H new ATOM 0 HA2 GLY A 589 -15.871 -6.263 5.875 1.00 60.31 H new ATOM 0 HA3 GLY A 589 -14.125 -6.107 5.836 1.00 60.31 H new ATOM 170 N ASP A 590 -14.227 -4.325 7.468 1.00 11.34 N ATOM 171 CA ASP A 590 -14.238 -3.320 8.494 1.00 14.12 C ATOM 172 C ASP A 590 -12.929 -2.586 8.540 1.00 42.35 C ATOM 173 O ASP A 590 -12.111 -2.702 7.620 1.00 54.43 O ATOM 174 CB ASP A 590 -14.548 -3.957 9.857 1.00 70.43 C ATOM 175 CG ASP A 590 -15.968 -4.454 9.967 1.00 22.43 C ATOM 176 OD1 ASP A 590 -16.254 -5.599 9.570 1.00 72.22 O ATOM 177 OD2 ASP A 590 -16.833 -3.690 10.457 1.00 51.21 O ATOM 0 H ASP A 590 -13.442 -4.974 7.530 1.00 11.34 H new ATOM 0 HA ASP A 590 -15.020 -2.598 8.259 1.00 14.12 H new ATOM 0 HB2 ASP A 590 -13.864 -4.788 10.027 1.00 70.43 H new ATOM 0 HB3 ASP A 590 -14.363 -3.226 10.644 1.00 70.43 H new ATOM 182 N ASN A 591 -12.732 -1.826 9.600 1.00 61.11 N ATOM 183 CA ASN A 591 -11.541 -1.020 9.775 1.00 43.40 C ATOM 184 C ASN A 591 -10.332 -1.890 10.072 1.00 10.24 C ATOM 185 O ASN A 591 -10.270 -2.541 11.118 1.00 73.40 O ATOM 186 CB ASN A 591 -11.724 0.011 10.912 1.00 54.22 C ATOM 187 CG ASN A 591 -12.836 1.020 10.664 1.00 24.43 C ATOM 188 OD1 ASN A 591 -13.138 1.382 9.522 1.00 2.15 O ATOM 189 ND2 ASN A 591 -13.454 1.480 11.730 1.00 43.30 N ATOM 0 H ASN A 591 -13.399 -1.751 10.368 1.00 61.11 H new ATOM 0 HA ASN A 591 -11.374 -0.486 8.839 1.00 43.40 H new ATOM 0 HB2 ASN A 591 -11.932 -0.521 11.840 1.00 54.22 H new ATOM 0 HB3 ASN A 591 -10.786 0.548 11.055 1.00 54.22 H new ATOM 0 HD21 ASN A 591 -14.209 2.158 11.629 1.00 43.30 H new ATOM 0 HD22 ASN A 591 -13.178 1.159 12.658 1.00 43.30 H new ATOM 195 N CYS A 592 -9.405 -1.946 9.114 1.00 25.24 N ATOM 196 CA CYS A 592 -8.110 -2.645 9.243 1.00 21.41 C ATOM 197 C CYS A 592 -8.239 -4.176 9.263 1.00 44.33 C ATOM 198 O CYS A 592 -7.236 -4.897 9.209 1.00 74.03 O ATOM 199 CB CYS A 592 -7.313 -2.132 10.458 1.00 11.52 C ATOM 200 SG CYS A 592 -6.929 -0.341 10.401 1.00 42.10 S ATOM 0 H CYS A 592 -9.529 -1.500 8.205 1.00 25.24 H new ATOM 0 HA CYS A 592 -7.549 -2.404 8.340 1.00 21.41 H new ATOM 0 HB2 CYS A 592 -7.879 -2.342 11.365 1.00 11.52 H new ATOM 0 HB3 CYS A 592 -6.380 -2.690 10.528 1.00 11.52 H new ATOM 205 N THR A 593 -9.458 -4.668 9.299 1.00 24.52 N ATOM 206 CA THR A 593 -9.698 -6.078 9.312 1.00 63.01 C ATOM 207 C THR A 593 -10.781 -6.427 8.302 1.00 64.20 C ATOM 208 O THR A 593 -11.727 -5.657 8.096 1.00 33.11 O ATOM 209 CB THR A 593 -10.139 -6.520 10.731 1.00 64.40 C ATOM 210 OG1 THR A 593 -11.196 -5.654 11.196 1.00 72.22 O ATOM 211 CG2 THR A 593 -8.981 -6.453 11.711 1.00 20.05 C ATOM 0 H THR A 593 -10.303 -4.096 9.320 1.00 24.52 H new ATOM 0 HA THR A 593 -8.780 -6.600 9.043 1.00 63.01 H new ATOM 0 HB THR A 593 -10.488 -7.551 10.673 1.00 64.40 H new ATOM 0 HG1 THR A 593 -11.477 -5.933 12.092 1.00 72.22 H new ATOM 0 HG21 THR A 593 -9.320 -6.769 12.698 1.00 20.05 H new ATOM 0 HG22 THR A 593 -8.181 -7.112 11.374 1.00 20.05 H new ATOM 0 HG23 THR A 593 -8.609 -5.430 11.765 1.00 20.05 H new ATOM 217 N VAL A 594 -10.645 -7.551 7.669 1.00 73.41 N ATOM 218 CA VAL A 594 -11.626 -7.993 6.719 1.00 41.53 C ATOM 219 C VAL A 594 -12.041 -9.426 6.991 1.00 1.21 C ATOM 220 O VAL A 594 -11.193 -10.282 7.239 1.00 44.23 O ATOM 221 CB VAL A 594 -11.138 -7.821 5.245 1.00 72.34 C ATOM 222 CG1 VAL A 594 -9.910 -8.670 4.935 1.00 1.12 C ATOM 223 CG2 VAL A 594 -12.261 -8.087 4.250 1.00 63.14 C ATOM 0 H VAL A 594 -9.857 -8.187 7.793 1.00 73.41 H new ATOM 0 HA VAL A 594 -12.501 -7.355 6.843 1.00 41.53 H new ATOM 0 HB VAL A 594 -10.836 -6.779 5.137 1.00 72.34 H new ATOM 0 HG11 VAL A 594 -9.612 -8.514 3.898 1.00 1.12 H new ATOM 0 HG12 VAL A 594 -9.092 -8.382 5.595 1.00 1.12 H new ATOM 0 HG13 VAL A 594 -10.147 -9.723 5.090 1.00 1.12 H new ATOM 0 HG21 VAL A 594 -11.886 -7.958 3.235 1.00 63.14 H new ATOM 0 HG22 VAL A 594 -12.625 -9.107 4.376 1.00 63.14 H new ATOM 0 HG23 VAL A 594 -13.077 -7.386 4.427 1.00 63.14 H new ATOM 229 N PHE A 595 -13.308 -9.686 6.987 1.00 32.43 N ATOM 230 CA PHE A 595 -13.776 -11.037 7.077 1.00 61.50 C ATOM 231 C PHE A 595 -14.586 -11.369 5.860 1.00 14.22 C ATOM 232 O PHE A 595 -15.567 -10.694 5.561 1.00 1.35 O ATOM 233 CB PHE A 595 -14.560 -11.315 8.372 1.00 65.52 C ATOM 234 CG PHE A 595 -15.123 -12.713 8.425 1.00 42.35 C ATOM 235 CD1 PHE A 595 -14.301 -13.803 8.215 1.00 40.11 C ATOM 236 CD2 PHE A 595 -16.470 -12.932 8.647 1.00 44.31 C ATOM 237 CE1 PHE A 595 -14.792 -15.080 8.230 1.00 74.22 C ATOM 238 CE2 PHE A 595 -16.976 -14.218 8.663 1.00 1.12 C ATOM 239 CZ PHE A 595 -16.129 -15.292 8.453 1.00 23.35 C ATOM 0 H PHE A 595 -14.042 -8.981 6.922 1.00 32.43 H new ATOM 0 HA PHE A 595 -12.904 -11.690 7.117 1.00 61.50 H new ATOM 0 HB2 PHE A 595 -13.904 -11.159 9.229 1.00 65.52 H new ATOM 0 HB3 PHE A 595 -15.375 -10.596 8.459 1.00 65.52 H new ATOM 0 HD1 PHE A 595 -13.248 -13.644 8.035 1.00 40.11 H new ATOM 0 HD2 PHE A 595 -17.131 -12.093 8.809 1.00 44.31 H new ATOM 0 HE1 PHE A 595 -14.130 -15.918 8.067 1.00 74.22 H new ATOM 0 HE2 PHE A 595 -18.029 -14.384 8.839 1.00 1.12 H new ATOM 0 HZ PHE A 595 -16.521 -16.298 8.465 1.00 23.35 H new ATOM 249 N ASP A 596 -14.177 -12.400 5.165 1.00 44.02 N ATOM 250 CA ASP A 596 -14.841 -12.807 3.948 1.00 5.02 C ATOM 251 C ASP A 596 -15.646 -14.048 4.192 1.00 52.52 C ATOM 252 O ASP A 596 -15.116 -15.056 4.654 1.00 11.20 O ATOM 253 CB ASP A 596 -13.831 -13.074 2.857 1.00 21.34 C ATOM 254 CG ASP A 596 -14.487 -13.331 1.531 1.00 61.24 C ATOM 255 OD1 ASP A 596 -14.773 -12.368 0.821 1.00 44.21 O ATOM 256 OD2 ASP A 596 -14.734 -14.490 1.207 1.00 35.35 O ATOM 0 H ASP A 596 -13.379 -12.980 5.423 1.00 44.02 H new ATOM 0 HA ASP A 596 -15.501 -12.000 3.632 1.00 5.02 H new ATOM 0 HB2 ASP A 596 -13.159 -12.221 2.769 1.00 21.34 H new ATOM 0 HB3 ASP A 596 -13.220 -13.934 3.132 1.00 21.34 H new ATOM 261 N SER A 597 -16.917 -13.968 3.906 1.00 40.53 N ATOM 262 CA SER A 597 -17.826 -15.067 4.101 1.00 74.13 C ATOM 263 C SER A 597 -17.610 -16.239 3.125 1.00 2.14 C ATOM 264 O SER A 597 -17.976 -17.371 3.428 1.00 35.50 O ATOM 265 CB SER A 597 -19.262 -14.556 4.101 1.00 61.12 C ATOM 266 OG SER A 597 -19.482 -13.659 3.011 1.00 61.42 O ATOM 0 H SER A 597 -17.356 -13.129 3.527 1.00 40.53 H new ATOM 0 HA SER A 597 -17.609 -15.497 5.079 1.00 74.13 H new ATOM 0 HB2 SER A 597 -19.952 -15.397 4.031 1.00 61.12 H new ATOM 0 HB3 SER A 597 -19.472 -14.049 5.043 1.00 61.12 H new ATOM 0 HG SER A 597 -18.993 -13.975 2.223 1.00 61.42 H new ATOM 272 N GLN A 598 -17.022 -15.979 1.968 1.00 42.42 N ATOM 273 CA GLN A 598 -16.790 -17.052 1.008 1.00 54.21 C ATOM 274 C GLN A 598 -15.547 -17.799 1.418 1.00 31.53 C ATOM 275 O GLN A 598 -15.498 -19.032 1.385 1.00 14.25 O ATOM 276 CB GLN A 598 -16.571 -16.552 -0.447 1.00 73.24 C ATOM 277 CG GLN A 598 -17.630 -15.638 -1.062 1.00 24.32 C ATOM 278 CD GLN A 598 -17.664 -14.271 -0.424 1.00 22.00 C ATOM 279 OE1 GLN A 598 -18.420 -14.017 0.514 1.00 20.31 O ATOM 280 NE2 GLN A 598 -16.801 -13.413 -0.877 1.00 64.50 N ATOM 0 H GLN A 598 -16.702 -15.057 1.673 1.00 42.42 H new ATOM 0 HA GLN A 598 -17.684 -17.675 1.015 1.00 54.21 H new ATOM 0 HB2 GLN A 598 -15.617 -16.025 -0.478 1.00 73.24 H new ATOM 0 HB3 GLN A 598 -16.473 -17.427 -1.089 1.00 73.24 H new ATOM 0 HG2 GLN A 598 -17.436 -15.531 -2.129 1.00 24.32 H new ATOM 0 HG3 GLN A 598 -18.610 -16.105 -0.961 1.00 24.32 H new ATOM 0 HE21 GLN A 598 -16.193 -13.664 -1.657 1.00 64.50 H new ATOM 0 HE22 GLN A 598 -16.731 -12.488 -0.453 1.00 64.50 H new ATOM 288 N ALA A 599 -14.545 -17.027 1.810 1.00 20.34 N ATOM 289 CA ALA A 599 -13.252 -17.543 2.168 1.00 63.14 C ATOM 290 C ALA A 599 -13.224 -18.098 3.571 1.00 14.14 C ATOM 291 O ALA A 599 -12.404 -18.951 3.883 1.00 31.41 O ATOM 292 CB ALA A 599 -12.251 -16.402 2.078 1.00 15.20 C ATOM 0 H ALA A 599 -14.618 -16.012 1.886 1.00 20.34 H new ATOM 0 HA ALA A 599 -13.008 -18.357 1.486 1.00 63.14 H new ATOM 0 HB1 ALA A 599 -11.259 -16.766 2.345 1.00 15.20 H new ATOM 0 HB2 ALA A 599 -12.233 -16.013 1.060 1.00 15.20 H new ATOM 0 HB3 ALA A 599 -12.543 -15.607 2.764 1.00 15.20 H new ATOM 298 N GLY A 600 -14.144 -17.643 4.394 1.00 14.44 N ATOM 299 CA GLY A 600 -14.241 -18.128 5.758 1.00 72.15 C ATOM 300 C GLY A 600 -13.042 -17.747 6.615 1.00 72.01 C ATOM 301 O GLY A 600 -12.800 -18.350 7.658 1.00 71.11 O ATOM 0 H GLY A 600 -14.837 -16.937 4.144 1.00 14.44 H new ATOM 0 HA2 GLY A 600 -15.147 -17.730 6.215 1.00 72.15 H new ATOM 0 HA3 GLY A 600 -14.340 -19.213 5.745 1.00 72.15 H new ATOM 305 N PHE A 601 -12.295 -16.757 6.179 1.00 64.21 N ATOM 306 CA PHE A 601 -11.143 -16.295 6.922 1.00 75.24 C ATOM 307 C PHE A 601 -11.232 -14.816 7.165 1.00 33.00 C ATOM 308 O PHE A 601 -11.723 -14.055 6.309 1.00 44.34 O ATOM 309 CB PHE A 601 -9.817 -16.591 6.205 1.00 20.21 C ATOM 310 CG PHE A 601 -9.474 -18.039 6.020 1.00 4.22 C ATOM 311 CD1 PHE A 601 -9.146 -18.830 7.105 1.00 62.24 C ATOM 312 CD2 PHE A 601 -9.471 -18.603 4.762 1.00 23.23 C ATOM 313 CE1 PHE A 601 -8.822 -20.159 6.931 1.00 11.34 C ATOM 314 CE2 PHE A 601 -9.146 -19.930 4.584 1.00 74.44 C ATOM 315 CZ PHE A 601 -8.821 -20.707 5.668 1.00 24.21 C ATOM 0 H PHE A 601 -12.466 -16.254 5.308 1.00 64.21 H new ATOM 0 HA PHE A 601 -11.152 -16.840 7.866 1.00 75.24 H new ATOM 0 HB2 PHE A 601 -9.845 -16.117 5.224 1.00 20.21 H new ATOM 0 HB3 PHE A 601 -9.011 -16.117 6.765 1.00 20.21 H new ATOM 0 HD1 PHE A 601 -9.143 -18.404 8.097 1.00 62.24 H new ATOM 0 HD2 PHE A 601 -9.727 -17.997 3.905 1.00 23.23 H new ATOM 0 HE1 PHE A 601 -8.569 -20.770 7.785 1.00 11.34 H new ATOM 0 HE2 PHE A 601 -9.147 -20.358 3.593 1.00 74.44 H new ATOM 0 HZ PHE A 601 -8.565 -21.747 5.530 1.00 24.21 H new ATOM 325 N SER A 602 -10.791 -14.415 8.311 1.00 42.13 N ATOM 326 CA SER A 602 -10.729 -13.044 8.676 1.00 72.34 C ATOM 327 C SER A 602 -9.263 -12.622 8.733 1.00 21.54 C ATOM 328 O SER A 602 -8.433 -13.321 9.307 1.00 1.54 O ATOM 329 CB SER A 602 -11.440 -12.847 10.020 1.00 2.53 C ATOM 330 OG SER A 602 -10.911 -13.720 11.009 1.00 62.04 O ATOM 0 H SER A 602 -10.456 -15.050 9.036 1.00 42.13 H new ATOM 0 HA SER A 602 -11.235 -12.417 7.942 1.00 72.34 H new ATOM 0 HB2 SER A 602 -11.329 -11.813 10.346 1.00 2.53 H new ATOM 0 HB3 SER A 602 -12.508 -13.031 9.901 1.00 2.53 H new ATOM 0 HG SER A 602 -11.379 -13.575 11.858 1.00 62.04 H new ATOM 336 N PHE A 603 -8.941 -11.522 8.119 1.00 2.45 N ATOM 337 CA PHE A 603 -7.574 -11.067 8.066 1.00 33.23 C ATOM 338 C PHE A 603 -7.426 -9.676 8.645 1.00 35.44 C ATOM 339 O PHE A 603 -8.212 -8.774 8.336 1.00 54.12 O ATOM 340 CB PHE A 603 -7.033 -11.101 6.624 1.00 43.13 C ATOM 341 CG PHE A 603 -6.917 -12.484 6.023 1.00 62.54 C ATOM 342 CD1 PHE A 603 -5.784 -13.248 6.249 1.00 23.51 C ATOM 343 CD2 PHE A 603 -7.926 -13.015 5.227 1.00 70.12 C ATOM 344 CE1 PHE A 603 -5.657 -14.508 5.702 1.00 55.53 C ATOM 345 CE2 PHE A 603 -7.798 -14.275 4.678 1.00 33.30 C ATOM 346 CZ PHE A 603 -6.662 -15.023 4.917 1.00 71.43 C ATOM 0 H PHE A 603 -9.609 -10.916 7.643 1.00 2.45 H new ATOM 0 HA PHE A 603 -6.985 -11.752 8.676 1.00 33.23 H new ATOM 0 HB2 PHE A 603 -7.686 -10.499 5.992 1.00 43.13 H new ATOM 0 HB3 PHE A 603 -6.050 -10.630 6.608 1.00 43.13 H new ATOM 0 HD1 PHE A 603 -4.988 -12.851 6.862 1.00 23.51 H new ATOM 0 HD2 PHE A 603 -8.818 -12.436 5.037 1.00 70.12 H new ATOM 0 HE1 PHE A 603 -4.767 -15.091 5.890 1.00 55.53 H new ATOM 0 HE2 PHE A 603 -8.588 -14.677 4.060 1.00 33.30 H new ATOM 0 HZ PHE A 603 -6.563 -16.010 4.489 1.00 71.43 H new ATOM 356 N ASP A 604 -6.436 -9.514 9.495 1.00 2.34 N ATOM 357 CA ASP A 604 -6.104 -8.227 10.067 1.00 74.12 C ATOM 358 C ASP A 604 -4.833 -7.735 9.425 1.00 3.32 C ATOM 359 O ASP A 604 -3.797 -8.406 9.444 1.00 45.21 O ATOM 360 CB ASP A 604 -5.960 -8.282 11.624 1.00 23.31 C ATOM 361 CG ASP A 604 -4.752 -9.034 12.148 1.00 43.23 C ATOM 362 OD1 ASP A 604 -4.784 -10.293 12.179 1.00 62.41 O ATOM 363 OD2 ASP A 604 -3.784 -8.383 12.580 1.00 12.15 O ATOM 0 H ASP A 604 -5.835 -10.275 9.811 1.00 2.34 H new ATOM 0 HA ASP A 604 -6.922 -7.535 9.866 1.00 74.12 H new ATOM 0 HB2 ASP A 604 -5.921 -7.261 12.003 1.00 23.31 H new ATOM 0 HB3 ASP A 604 -6.858 -8.741 12.037 1.00 23.31 H new ATOM 368 N LEU A 605 -4.926 -6.607 8.787 1.00 60.25 N ATOM 369 CA LEU A 605 -3.783 -5.975 8.171 1.00 34.22 C ATOM 370 C LEU A 605 -3.361 -4.804 9.031 1.00 62.12 C ATOM 371 O LEU A 605 -2.601 -3.934 8.635 1.00 34.32 O ATOM 372 CB LEU A 605 -4.082 -5.547 6.722 1.00 14.35 C ATOM 373 CG LEU A 605 -4.146 -6.661 5.640 1.00 30.14 C ATOM 374 CD1 LEU A 605 -2.802 -7.362 5.492 1.00 64.50 C ATOM 375 CD2 LEU A 605 -5.239 -7.684 5.908 1.00 54.31 C ATOM 0 H LEU A 605 -5.799 -6.091 8.675 1.00 60.25 H new ATOM 0 HA LEU A 605 -2.962 -6.689 8.108 1.00 34.22 H new ATOM 0 HB2 LEU A 605 -5.036 -5.020 6.718 1.00 14.35 H new ATOM 0 HB3 LEU A 605 -3.320 -4.829 6.420 1.00 14.35 H new ATOM 0 HG LEU A 605 -4.393 -6.159 4.705 1.00 30.14 H new ATOM 0 HD11 LEU A 605 -2.878 -8.136 4.728 1.00 64.50 H new ATOM 0 HD12 LEU A 605 -2.043 -6.636 5.199 1.00 64.50 H new ATOM 0 HD13 LEU A 605 -2.522 -7.816 6.442 1.00 64.50 H new ATOM 0 HD21 LEU A 605 -5.235 -8.436 5.119 1.00 54.31 H new ATOM 0 HD22 LEU A 605 -5.059 -8.165 6.869 1.00 54.31 H new ATOM 0 HD23 LEU A 605 -6.208 -7.185 5.928 1.00 54.31 H new ATOM 383 N THR A 606 -3.846 -4.858 10.226 1.00 75.24 N ATOM 384 CA THR A 606 -3.638 -3.921 11.267 1.00 24.50 C ATOM 385 C THR A 606 -2.104 -3.727 11.605 1.00 60.41 C ATOM 386 O THR A 606 -1.658 -2.595 11.750 1.00 62.45 O ATOM 387 CB THR A 606 -4.389 -4.450 12.490 1.00 54.42 C ATOM 388 OG1 THR A 606 -5.623 -5.039 12.031 1.00 50.41 O ATOM 389 CG2 THR A 606 -4.750 -3.329 13.399 1.00 51.12 C ATOM 0 H THR A 606 -4.449 -5.627 10.519 1.00 75.24 H new ATOM 0 HA THR A 606 -4.005 -2.942 10.959 1.00 24.50 H new ATOM 0 HB THR A 606 -3.759 -5.167 13.016 1.00 54.42 H new ATOM 0 HG1 THR A 606 -6.194 -5.243 12.801 1.00 50.41 H new ATOM 0 HG21 THR A 606 -5.284 -3.720 14.265 1.00 51.12 H new ATOM 0 HG22 THR A 606 -3.843 -2.823 13.730 1.00 51.12 H new ATOM 0 HG23 THR A 606 -5.388 -2.622 12.869 1.00 51.12 H new ATOM 395 N PRO A 607 -1.261 -4.837 11.720 1.00 34.40 N ATOM 396 CA PRO A 607 0.194 -4.714 12.002 1.00 65.03 C ATOM 397 C PRO A 607 0.934 -3.993 10.878 1.00 34.13 C ATOM 398 O PRO A 607 2.050 -3.515 11.047 1.00 13.24 O ATOM 399 CB PRO A 607 0.680 -6.168 12.094 1.00 11.43 C ATOM 400 CG PRO A 607 -0.542 -6.961 12.355 1.00 75.10 C ATOM 401 CD PRO A 607 -1.641 -6.267 11.614 1.00 31.22 C ATOM 0 HA PRO A 607 0.379 -4.133 12.905 1.00 65.03 H new ATOM 0 HB2 PRO A 607 1.165 -6.482 11.170 1.00 11.43 H new ATOM 0 HB3 PRO A 607 1.410 -6.291 12.894 1.00 11.43 H new ATOM 0 HG2 PRO A 607 -0.424 -7.988 12.009 1.00 75.10 H new ATOM 0 HG3 PRO A 607 -0.758 -7.008 13.422 1.00 75.10 H new ATOM 0 HD2 PRO A 607 -1.697 -6.594 10.576 1.00 31.22 H new ATOM 0 HD3 PRO A 607 -2.615 -6.460 12.063 1.00 31.22 H new ATOM 409 N LEU A 608 0.305 -3.946 9.739 1.00 21.12 N ATOM 410 CA LEU A 608 0.865 -3.359 8.545 1.00 43.33 C ATOM 411 C LEU A 608 0.780 -1.839 8.571 1.00 32.33 C ATOM 412 O LEU A 608 1.397 -1.165 7.757 1.00 64.33 O ATOM 413 CB LEU A 608 0.160 -3.909 7.295 1.00 34.23 C ATOM 414 CG LEU A 608 0.399 -5.383 6.921 1.00 3.51 C ATOM 415 CD1 LEU A 608 1.859 -5.646 6.733 1.00 4.10 C ATOM 416 CD2 LEU A 608 -0.184 -6.333 7.943 1.00 1.04 C ATOM 0 H LEU A 608 -0.634 -4.322 9.607 1.00 21.12 H new ATOM 0 HA LEU A 608 1.920 -3.632 8.509 1.00 43.33 H new ATOM 0 HB2 LEU A 608 -0.913 -3.768 7.427 1.00 34.23 H new ATOM 0 HB3 LEU A 608 0.460 -3.296 6.445 1.00 34.23 H new ATOM 0 HG LEU A 608 -0.118 -5.565 5.979 1.00 3.51 H new ATOM 0 HD11 LEU A 608 2.009 -6.693 6.469 1.00 4.10 H new ATOM 0 HD12 LEU A 608 2.243 -5.012 5.934 1.00 4.10 H new ATOM 0 HD13 LEU A 608 2.391 -5.425 7.659 1.00 4.10 H new ATOM 0 HD21 LEU A 608 0.009 -7.361 7.636 1.00 1.04 H new ATOM 0 HD22 LEU A 608 0.277 -6.151 8.914 1.00 1.04 H new ATOM 0 HD23 LEU A 608 -1.260 -6.173 8.017 1.00 1.04 H new ATOM 424 N THR A 609 0.017 -1.317 9.487 1.00 2.35 N ATOM 425 CA THR A 609 -0.147 0.103 9.613 1.00 35.22 C ATOM 426 C THR A 609 1.090 0.727 10.277 1.00 1.24 C ATOM 427 O THR A 609 1.578 0.245 11.308 1.00 44.44 O ATOM 428 CB THR A 609 -1.388 0.411 10.461 1.00 44.42 C ATOM 429 OG1 THR A 609 -2.503 -0.351 9.966 1.00 31.35 O ATOM 430 CG2 THR A 609 -1.739 1.879 10.386 1.00 4.52 C ATOM 0 H THR A 609 -0.510 -1.864 10.168 1.00 2.35 H new ATOM 0 HA THR A 609 -0.270 0.528 8.617 1.00 35.22 H new ATOM 0 HB THR A 609 -1.171 0.148 11.496 1.00 44.42 H new ATOM 0 HG1 THR A 609 -2.972 0.165 9.277 1.00 31.35 H new ATOM 0 HG21 THR A 609 -2.622 2.074 10.995 1.00 4.52 H new ATOM 0 HG22 THR A 609 -0.904 2.472 10.758 1.00 4.52 H new ATOM 0 HG23 THR A 609 -1.945 2.151 9.351 1.00 4.52 H new ATOM 436 N LYS A 610 1.588 1.766 9.675 1.00 54.22 N ATOM 437 CA LYS A 610 2.721 2.503 10.169 1.00 43.11 C ATOM 438 C LYS A 610 2.427 3.983 10.099 1.00 14.33 C ATOM 439 O LYS A 610 1.804 4.428 9.154 1.00 14.32 O ATOM 440 CB LYS A 610 3.925 2.270 9.272 1.00 5.13 C ATOM 441 CG LYS A 610 4.551 0.894 9.263 1.00 45.22 C ATOM 442 CD LYS A 610 5.695 0.860 8.242 1.00 13.22 C ATOM 443 CE LYS A 610 6.753 1.926 8.530 1.00 33.45 C ATOM 444 NZ LYS A 610 7.798 1.991 7.486 1.00 34.21 N ATOM 0 H LYS A 610 1.210 2.137 8.803 1.00 54.22 H new ATOM 0 HA LYS A 610 2.918 2.176 11.190 1.00 43.11 H new ATOM 0 HB2 LYS A 610 3.631 2.509 8.250 1.00 5.13 H new ATOM 0 HB3 LYS A 610 4.696 2.985 9.557 1.00 5.13 H new ATOM 0 HG2 LYS A 610 4.928 0.648 10.256 1.00 45.22 H new ATOM 0 HG3 LYS A 610 3.802 0.143 9.011 1.00 45.22 H new ATOM 0 HD2 LYS A 610 6.161 -0.125 8.253 1.00 13.22 H new ATOM 0 HD3 LYS A 610 5.292 1.011 7.241 1.00 13.22 H new ATOM 0 HE2 LYS A 610 6.269 2.899 8.614 1.00 33.45 H new ATOM 0 HE3 LYS A 610 7.220 1.718 9.493 1.00 33.45 H new ATOM 0 HZ1 LYS A 610 8.389 2.833 7.638 1.00 34.21 H new ATOM 0 HZ2 LYS A 610 8.391 1.138 7.535 1.00 34.21 H new ATOM 0 HZ3 LYS A 610 7.350 2.048 6.549 1.00 34.21 H new ATOM 458 N LYS A 611 2.889 4.750 11.069 1.00 43.14 N ATOM 459 CA LYS A 611 2.793 6.197 10.952 1.00 30.23 C ATOM 460 C LYS A 611 3.768 6.662 9.886 1.00 2.11 C ATOM 461 O LYS A 611 3.470 7.545 9.101 1.00 41.41 O ATOM 462 CB LYS A 611 3.072 6.925 12.267 1.00 32.40 C ATOM 463 CG LYS A 611 2.076 6.637 13.381 1.00 12.23 C ATOM 464 CD LYS A 611 2.345 7.506 14.608 1.00 53.05 C ATOM 465 CE LYS A 611 2.177 8.992 14.290 1.00 12.11 C ATOM 466 NZ LYS A 611 2.438 9.855 15.457 1.00 15.43 N ATOM 0 H LYS A 611 3.324 4.409 11.926 1.00 43.14 H new ATOM 0 HA LYS A 611 1.767 6.441 10.678 1.00 30.23 H new ATOM 0 HB2 LYS A 611 4.070 6.653 12.612 1.00 32.40 H new ATOM 0 HB3 LYS A 611 3.082 7.998 12.077 1.00 32.40 H new ATOM 0 HG2 LYS A 611 1.063 6.817 13.021 1.00 12.23 H new ATOM 0 HG3 LYS A 611 2.133 5.585 13.659 1.00 12.23 H new ATOM 0 HD2 LYS A 611 1.663 7.225 15.411 1.00 53.05 H new ATOM 0 HD3 LYS A 611 3.356 7.322 14.970 1.00 53.05 H new ATOM 0 HE2 LYS A 611 2.855 9.266 13.482 1.00 12.11 H new ATOM 0 HE3 LYS A 611 1.164 9.170 13.930 1.00 12.11 H new ATOM 0 HZ1 LYS A 611 2.310 10.851 15.187 1.00 15.43 H new ATOM 0 HZ2 LYS A 611 1.775 9.615 16.221 1.00 15.43 H new ATOM 0 HZ3 LYS A 611 3.413 9.708 15.786 1.00 15.43 H new ATOM 480 N ASP A 612 4.932 6.004 9.856 1.00 54.15 N ATOM 481 CA ASP A 612 5.986 6.288 8.868 1.00 71.54 C ATOM 482 C ASP A 612 5.521 5.884 7.484 1.00 75.51 C ATOM 483 O ASP A 612 5.966 6.433 6.463 1.00 30.11 O ATOM 484 CB ASP A 612 7.271 5.537 9.241 1.00 33.20 C ATOM 485 CG ASP A 612 8.377 5.660 8.205 1.00 33.33 C ATOM 486 OD1 ASP A 612 9.042 6.719 8.149 1.00 4.43 O ATOM 487 OD2 ASP A 612 8.615 4.679 7.458 1.00 41.50 O ATOM 0 H ASP A 612 5.172 5.261 10.512 1.00 54.15 H new ATOM 0 HA ASP A 612 6.195 7.358 8.867 1.00 71.54 H new ATOM 0 HB2 ASP A 612 7.637 5.914 10.196 1.00 33.20 H new ATOM 0 HB3 ASP A 612 7.036 4.482 9.384 1.00 33.20 H new ATOM 492 N ALA A 613 4.596 4.926 7.472 1.00 51.32 N ATOM 493 CA ALA A 613 3.980 4.410 6.271 1.00 52.42 C ATOM 494 C ALA A 613 4.992 3.718 5.353 1.00 44.41 C ATOM 495 O ALA A 613 6.119 3.425 5.753 1.00 54.03 O ATOM 496 CB ALA A 613 3.255 5.526 5.559 1.00 53.41 C ATOM 0 H ALA A 613 4.252 4.482 8.323 1.00 51.32 H new ATOM 0 HA ALA A 613 3.259 3.644 6.556 1.00 52.42 H new ATOM 0 HB1 ALA A 613 2.790 5.138 4.653 1.00 53.41 H new ATOM 0 HB2 ALA A 613 2.487 5.937 6.214 1.00 53.41 H new ATOM 0 HB3 ALA A 613 3.964 6.311 5.295 1.00 53.41 H new ATOM 502 N TYR A 614 4.560 3.400 4.166 1.00 62.34 N ATOM 503 CA TYR A 614 5.385 2.758 3.169 1.00 55.42 C ATOM 504 C TYR A 614 5.566 3.673 1.980 1.00 1.54 C ATOM 505 O TYR A 614 4.645 4.412 1.626 1.00 34.55 O ATOM 506 CB TYR A 614 4.724 1.455 2.719 1.00 75.12 C ATOM 507 CG TYR A 614 4.672 0.394 3.795 1.00 61.54 C ATOM 508 CD1 TYR A 614 3.803 0.498 4.883 1.00 73.11 C ATOM 509 CD2 TYR A 614 5.503 -0.719 3.724 1.00 32.02 C ATOM 510 CE1 TYR A 614 3.771 -0.455 5.845 1.00 4.24 C ATOM 511 CE2 TYR A 614 5.476 -1.691 4.695 1.00 73.50 C ATOM 512 CZ TYR A 614 4.605 -1.556 5.760 1.00 5.44 C ATOM 513 OH TYR A 614 4.571 -2.511 6.737 1.00 11.43 O ATOM 0 H TYR A 614 3.606 3.581 3.853 1.00 62.34 H new ATOM 0 HA TYR A 614 6.362 2.540 3.601 1.00 55.42 H new ATOM 0 HB2 TYR A 614 3.709 1.670 2.384 1.00 75.12 H new ATOM 0 HB3 TYR A 614 5.266 1.061 1.859 1.00 75.12 H new ATOM 0 HD1 TYR A 614 3.146 1.352 4.959 1.00 73.11 H new ATOM 0 HD2 TYR A 614 6.182 -0.821 2.890 1.00 32.02 H new ATOM 0 HE1 TYR A 614 3.093 -0.355 6.680 1.00 4.24 H new ATOM 0 HE2 TYR A 614 6.127 -2.550 4.627 1.00 73.50 H new ATOM 0 HH TYR A 614 3.670 -2.554 7.121 1.00 11.43 H new ATOM 523 N LYS A 615 6.732 3.650 1.379 1.00 12.50 N ATOM 524 CA LYS A 615 6.978 4.466 0.216 1.00 3.43 C ATOM 525 C LYS A 615 7.415 3.619 -0.970 1.00 74.45 C ATOM 526 O LYS A 615 8.282 2.753 -0.849 1.00 12.24 O ATOM 527 CB LYS A 615 8.050 5.539 0.472 1.00 24.22 C ATOM 528 CG LYS A 615 8.290 6.424 -0.742 1.00 25.00 C ATOM 529 CD LYS A 615 9.567 7.257 -0.632 1.00 25.13 C ATOM 530 CE LYS A 615 9.604 8.121 0.598 1.00 32.23 C ATOM 531 NZ LYS A 615 10.687 9.115 0.541 1.00 2.43 N ATOM 0 H LYS A 615 7.522 3.077 1.675 1.00 12.50 H new ATOM 0 HA LYS A 615 6.033 4.960 -0.009 1.00 3.43 H new ATOM 0 HB2 LYS A 615 7.745 6.159 1.315 1.00 24.22 H new ATOM 0 HB3 LYS A 615 8.984 5.054 0.755 1.00 24.22 H new ATOM 0 HG2 LYS A 615 8.346 5.800 -1.634 1.00 25.00 H new ATOM 0 HG3 LYS A 615 7.438 7.091 -0.872 1.00 25.00 H new ATOM 0 HD2 LYS A 615 10.429 6.590 -0.626 1.00 25.13 H new ATOM 0 HD3 LYS A 615 9.659 7.889 -1.515 1.00 25.13 H new ATOM 0 HE2 LYS A 615 8.648 8.632 0.711 1.00 32.23 H new ATOM 0 HE3 LYS A 615 9.735 7.492 1.479 1.00 32.23 H new ATOM 0 HZ1 LYS A 615 10.855 9.500 1.492 1.00 2.43 H new ATOM 0 HZ2 LYS A 615 11.556 8.662 0.193 1.00 2.43 H new ATOM 0 HZ3 LYS A 615 10.417 9.886 -0.102 1.00 2.43 H new ATOM 545 N VAL A 616 6.805 3.862 -2.087 1.00 42.32 N ATOM 546 CA VAL A 616 7.201 3.267 -3.333 1.00 5.31 C ATOM 547 C VAL A 616 7.794 4.390 -4.152 1.00 10.23 C ATOM 548 O VAL A 616 7.227 5.474 -4.202 1.00 71.41 O ATOM 549 CB VAL A 616 5.999 2.686 -4.106 1.00 53.01 C ATOM 550 CG1 VAL A 616 6.462 1.954 -5.357 1.00 65.31 C ATOM 551 CG2 VAL A 616 5.150 1.790 -3.225 1.00 73.22 C ATOM 0 H VAL A 616 6.004 4.489 -2.165 1.00 42.32 H new ATOM 0 HA VAL A 616 7.896 2.448 -3.149 1.00 5.31 H new ATOM 0 HB VAL A 616 5.371 3.520 -4.418 1.00 53.01 H new ATOM 0 HG11 VAL A 616 5.597 1.553 -5.885 1.00 65.31 H new ATOM 0 HG12 VAL A 616 6.995 2.647 -6.008 1.00 65.31 H new ATOM 0 HG13 VAL A 616 7.126 1.137 -5.076 1.00 65.31 H new ATOM 0 HG21 VAL A 616 4.313 1.399 -3.803 1.00 73.22 H new ATOM 0 HG22 VAL A 616 5.756 0.962 -2.858 1.00 73.22 H new ATOM 0 HG23 VAL A 616 4.770 2.365 -2.380 1.00 73.22 H new ATOM 557 N GLU A 617 8.897 4.164 -4.763 1.00 55.14 N ATOM 558 CA GLU A 617 9.554 5.212 -5.500 1.00 21.24 C ATOM 559 C GLU A 617 9.581 4.897 -6.965 1.00 12.32 C ATOM 560 O GLU A 617 9.657 3.734 -7.358 1.00 73.22 O ATOM 561 CB GLU A 617 10.976 5.410 -5.002 1.00 34.14 C ATOM 562 CG GLU A 617 11.078 5.769 -3.538 1.00 43.44 C ATOM 563 CD GLU A 617 12.497 5.958 -3.102 1.00 14.20 C ATOM 564 OE1 GLU A 617 13.012 7.081 -3.220 1.00 71.24 O ATOM 565 OE2 GLU A 617 13.127 4.989 -2.649 1.00 34.34 O ATOM 0 H GLU A 617 9.377 3.264 -4.776 1.00 55.14 H new ATOM 0 HA GLU A 617 8.988 6.130 -5.343 1.00 21.24 H new ATOM 0 HB2 GLU A 617 11.541 4.495 -5.180 1.00 34.14 H new ATOM 0 HB3 GLU A 617 11.448 6.196 -5.591 1.00 34.14 H new ATOM 0 HG2 GLU A 617 10.516 6.684 -3.350 1.00 43.44 H new ATOM 0 HG3 GLU A 617 10.617 4.983 -2.940 1.00 43.44 H new ATOM 572 N THR A 618 9.500 5.922 -7.763 1.00 22.11 N ATOM 573 CA THR A 618 9.603 5.807 -9.177 1.00 41.21 C ATOM 574 C THR A 618 10.676 6.799 -9.588 1.00 10.33 C ATOM 575 O THR A 618 11.422 7.291 -8.712 1.00 43.22 O ATOM 576 CB THR A 618 8.247 6.144 -9.876 1.00 32.03 C ATOM 577 OG1 THR A 618 7.868 7.490 -9.580 1.00 33.23 O ATOM 578 CG2 THR A 618 7.135 5.208 -9.403 1.00 22.43 C ATOM 0 H THR A 618 9.358 6.878 -7.436 1.00 22.11 H new ATOM 0 HA THR A 618 9.853 4.788 -9.473 1.00 41.21 H new ATOM 0 HB THR A 618 8.386 6.017 -10.950 1.00 32.03 H new ATOM 0 HG1 THR A 618 7.782 7.600 -8.610 1.00 33.23 H new ATOM 0 HG21 THR A 618 6.203 5.466 -9.906 1.00 22.43 H new ATOM 0 HG22 THR A 618 7.402 4.178 -9.639 1.00 22.43 H new ATOM 0 HG23 THR A 618 7.006 5.311 -8.326 1.00 22.43 H new ATOM 584 N ASP A 619 10.770 7.113 -10.859 1.00 21.44 N ATOM 585 CA ASP A 619 11.771 8.057 -11.323 1.00 3.13 C ATOM 586 C ASP A 619 11.594 9.428 -10.708 1.00 45.42 C ATOM 587 O ASP A 619 12.526 9.970 -10.111 1.00 54.23 O ATOM 588 CB ASP A 619 11.814 8.163 -12.849 1.00 61.43 C ATOM 589 CG ASP A 619 12.330 6.922 -13.507 1.00 71.22 C ATOM 590 OD1 ASP A 619 13.565 6.750 -13.560 1.00 50.25 O ATOM 591 OD2 ASP A 619 11.511 6.108 -13.993 1.00 21.55 O ATOM 0 H ASP A 619 10.170 6.733 -11.591 1.00 21.44 H new ATOM 0 HA ASP A 619 12.728 7.657 -10.989 1.00 3.13 H new ATOM 0 HB2 ASP A 619 10.812 8.375 -13.221 1.00 61.43 H new ATOM 0 HB3 ASP A 619 12.444 9.006 -13.132 1.00 61.43 H new ATOM 596 N LYS A 620 10.401 9.996 -10.819 1.00 65.31 N ATOM 597 CA LYS A 620 10.207 11.343 -10.298 1.00 42.13 C ATOM 598 C LYS A 620 9.141 11.416 -9.232 1.00 62.41 C ATOM 599 O LYS A 620 8.885 12.489 -8.692 1.00 32.32 O ATOM 600 CB LYS A 620 9.883 12.397 -11.385 1.00 23.10 C ATOM 601 CG LYS A 620 10.875 12.527 -12.542 1.00 33.22 C ATOM 602 CD LYS A 620 10.740 11.404 -13.567 1.00 14.50 C ATOM 603 CE LYS A 620 9.382 11.445 -14.253 1.00 21.40 C ATOM 604 NZ LYS A 620 9.218 10.369 -15.248 1.00 62.11 N ATOM 0 H LYS A 620 9.581 9.566 -11.248 1.00 65.31 H new ATOM 0 HA LYS A 620 11.176 11.585 -9.861 1.00 42.13 H new ATOM 0 HB2 LYS A 620 8.904 12.163 -11.803 1.00 23.10 H new ATOM 0 HB3 LYS A 620 9.799 13.369 -10.900 1.00 23.10 H new ATOM 0 HG2 LYS A 620 10.724 13.486 -13.038 1.00 33.22 H new ATOM 0 HG3 LYS A 620 11.890 12.530 -12.145 1.00 33.22 H new ATOM 0 HD2 LYS A 620 11.530 11.492 -14.313 1.00 14.50 H new ATOM 0 HD3 LYS A 620 10.873 10.441 -13.074 1.00 14.50 H new ATOM 0 HE2 LYS A 620 8.597 11.363 -13.502 1.00 21.40 H new ATOM 0 HE3 LYS A 620 9.255 12.410 -14.743 1.00 21.40 H new ATOM 0 HZ1 LYS A 620 8.277 10.441 -15.686 1.00 62.11 H new ATOM 0 HZ2 LYS A 620 9.949 10.460 -15.982 1.00 62.11 H new ATOM 0 HZ3 LYS A 620 9.311 9.445 -14.779 1.00 62.11 H new ATOM 618 N TYR A 621 8.520 10.332 -8.917 1.00 13.31 N ATOM 619 CA TYR A 621 7.458 10.376 -7.944 1.00 62.22 C ATOM 620 C TYR A 621 7.639 9.316 -6.903 1.00 32.44 C ATOM 621 O TYR A 621 8.341 8.329 -7.120 1.00 74.41 O ATOM 622 CB TYR A 621 6.076 10.227 -8.630 1.00 63.14 C ATOM 623 CG TYR A 621 5.721 11.359 -9.586 1.00 4.15 C ATOM 624 CD1 TYR A 621 6.351 11.479 -10.817 1.00 24.31 C ATOM 625 CD2 TYR A 621 4.770 12.307 -9.251 1.00 70.31 C ATOM 626 CE1 TYR A 621 6.051 12.500 -11.680 1.00 35.43 C ATOM 627 CE2 TYR A 621 4.455 13.338 -10.120 1.00 70.41 C ATOM 628 CZ TYR A 621 5.103 13.428 -11.331 1.00 31.03 C ATOM 629 OH TYR A 621 4.790 14.446 -12.206 1.00 72.21 O ATOM 0 H TYR A 621 8.717 9.410 -9.307 1.00 13.31 H new ATOM 0 HA TYR A 621 7.497 11.348 -7.452 1.00 62.22 H new ATOM 0 HB2 TYR A 621 6.056 9.285 -9.178 1.00 63.14 H new ATOM 0 HB3 TYR A 621 5.307 10.164 -7.860 1.00 63.14 H new ATOM 0 HD1 TYR A 621 7.095 10.750 -11.101 1.00 24.31 H new ATOM 0 HD2 TYR A 621 4.266 12.242 -8.298 1.00 70.31 H new ATOM 0 HE1 TYR A 621 6.558 12.574 -12.630 1.00 35.43 H new ATOM 0 HE2 TYR A 621 3.706 14.067 -9.849 1.00 70.41 H new ATOM 0 HH TYR A 621 4.100 15.017 -11.810 1.00 72.21 H new ATOM 639 N GLU A 622 7.053 9.525 -5.788 1.00 63.20 N ATOM 640 CA GLU A 622 7.014 8.548 -4.769 1.00 20.23 C ATOM 641 C GLU A 622 5.590 8.399 -4.386 1.00 23.31 C ATOM 642 O GLU A 622 4.806 9.353 -4.495 1.00 3.32 O ATOM 643 CB GLU A 622 7.831 8.926 -3.513 1.00 74.10 C ATOM 644 CG GLU A 622 7.287 10.115 -2.723 1.00 3.31 C ATOM 645 CD GLU A 622 7.998 10.305 -1.395 1.00 2.33 C ATOM 646 OE1 GLU A 622 9.175 10.768 -1.387 1.00 5.13 O ATOM 647 OE2 GLU A 622 7.401 9.960 -0.325 1.00 22.41 O ATOM 0 H GLU A 622 6.577 10.396 -5.552 1.00 63.20 H new ATOM 0 HA GLU A 622 7.458 7.630 -5.153 1.00 20.23 H new ATOM 0 HB2 GLU A 622 7.875 8.060 -2.853 1.00 74.10 H new ATOM 0 HB3 GLU A 622 8.854 9.148 -3.817 1.00 74.10 H new ATOM 0 HG2 GLU A 622 7.390 11.021 -3.320 1.00 3.31 H new ATOM 0 HG3 GLU A 622 6.222 9.971 -2.544 1.00 3.31 H new ATOM 654 N PHE A 623 5.233 7.252 -3.997 1.00 32.21 N ATOM 655 CA PHE A 623 3.939 7.037 -3.505 1.00 35.24 C ATOM 656 C PHE A 623 4.094 6.632 -2.073 1.00 24.34 C ATOM 657 O PHE A 623 4.789 5.663 -1.770 1.00 62.32 O ATOM 658 CB PHE A 623 3.231 5.924 -4.298 1.00 2.02 C ATOM 659 CG PHE A 623 3.058 6.198 -5.781 1.00 44.13 C ATOM 660 CD1 PHE A 623 4.089 5.954 -6.676 1.00 1.40 C ATOM 661 CD2 PHE A 623 1.865 6.699 -6.274 1.00 41.21 C ATOM 662 CE1 PHE A 623 3.927 6.205 -8.021 1.00 73.22 C ATOM 663 CE2 PHE A 623 1.702 6.950 -7.618 1.00 22.44 C ATOM 664 CZ PHE A 623 2.733 6.703 -8.491 1.00 2.34 C ATOM 0 H PHE A 623 5.831 6.426 -4.009 1.00 32.21 H new ATOM 0 HA PHE A 623 3.332 7.937 -3.602 1.00 35.24 H new ATOM 0 HB2 PHE A 623 3.796 4.999 -4.179 1.00 2.02 H new ATOM 0 HB3 PHE A 623 2.248 5.756 -3.859 1.00 2.02 H new ATOM 0 HD1 PHE A 623 5.029 5.563 -6.315 1.00 1.40 H new ATOM 0 HD2 PHE A 623 1.050 6.896 -5.594 1.00 41.21 H new ATOM 0 HE1 PHE A 623 4.738 6.011 -8.707 1.00 73.22 H new ATOM 0 HE2 PHE A 623 0.764 7.341 -7.985 1.00 22.44 H new ATOM 0 HZ PHE A 623 2.607 6.899 -9.545 1.00 2.34 H new ATOM 674 N HIS A 624 3.493 7.353 -1.201 1.00 42.44 N ATOM 675 CA HIS A 624 3.565 7.032 0.175 1.00 33.52 C ATOM 676 C HIS A 624 2.185 6.605 0.607 1.00 1.34 C ATOM 677 O HIS A 624 1.221 7.345 0.446 1.00 12.00 O ATOM 678 CB HIS A 624 4.032 8.255 0.974 1.00 41.21 C ATOM 679 CG HIS A 624 5.106 7.934 1.950 1.00 42.22 C ATOM 680 ND1 HIS A 624 6.406 8.363 1.802 1.00 45.44 N ATOM 681 CD2 HIS A 624 5.079 7.208 3.084 1.00 43.15 C ATOM 682 CE1 HIS A 624 7.126 7.896 2.812 1.00 51.14 C ATOM 683 NE2 HIS A 624 6.344 7.203 3.599 1.00 31.33 N ATOM 0 H HIS A 624 2.938 8.181 -1.420 1.00 42.44 H new ATOM 0 HA HIS A 624 4.281 6.230 0.354 1.00 33.52 H new ATOM 0 HB2 HIS A 624 4.392 9.018 0.283 1.00 41.21 H new ATOM 0 HB3 HIS A 624 3.181 8.682 1.505 1.00 41.21 H new ATOM 0 HD1 HIS A 624 6.757 8.944 1.041 1.00 45.44 H new ATOM 0 HD2 HIS A 624 4.215 6.719 3.509 1.00 43.15 H new ATOM 0 HE1 HIS A 624 8.183 8.060 2.961 1.00 51.14 H new ATOM 692 N ILE A 625 2.081 5.429 1.151 1.00 53.44 N ATOM 693 CA ILE A 625 0.796 4.880 1.510 1.00 34.14 C ATOM 694 C ILE A 625 0.904 4.178 2.839 1.00 70.34 C ATOM 695 O ILE A 625 1.991 3.758 3.247 1.00 14.21 O ATOM 696 CB ILE A 625 0.273 3.850 0.442 1.00 21.50 C ATOM 697 CG1 ILE A 625 1.181 2.626 0.401 1.00 64.04 C ATOM 698 CG2 ILE A 625 0.161 4.483 -0.948 1.00 43.12 C ATOM 699 CD1 ILE A 625 0.829 1.601 -0.665 1.00 3.10 C ATOM 0 H ILE A 625 2.874 4.823 1.359 1.00 53.44 H new ATOM 0 HA ILE A 625 0.090 5.709 1.561 1.00 34.14 H new ATOM 0 HB ILE A 625 -0.728 3.539 0.741 1.00 21.50 H new ATOM 0 HG12 ILE A 625 2.207 2.958 0.240 1.00 64.04 H new ATOM 0 HG13 ILE A 625 1.153 2.139 1.376 1.00 64.04 H new ATOM 0 HG21 ILE A 625 -0.203 3.740 -1.658 1.00 43.12 H new ATOM 0 HG22 ILE A 625 -0.535 5.321 -0.911 1.00 43.12 H new ATOM 0 HG23 ILE A 625 1.141 4.839 -1.266 1.00 43.12 H new ATOM 0 HD11 ILE A 625 1.531 0.768 -0.615 1.00 3.10 H new ATOM 0 HD12 ILE A 625 -0.183 1.233 -0.496 1.00 3.10 H new ATOM 0 HD13 ILE A 625 0.887 2.065 -1.649 1.00 3.10 H new ATOM 706 N ASN A 626 -0.182 4.075 3.502 1.00 65.53 N ATOM 707 CA ASN A 626 -0.253 3.371 4.767 1.00 33.20 C ATOM 708 C ASN A 626 -1.388 2.378 4.683 1.00 14.43 C ATOM 709 O ASN A 626 -2.309 2.574 3.894 1.00 3.53 O ATOM 710 CB ASN A 626 -0.492 4.370 5.915 1.00 11.11 C ATOM 711 CG ASN A 626 -0.531 3.711 7.281 1.00 64.45 C ATOM 712 OD1 ASN A 626 0.113 2.678 7.510 1.00 40.05 O ATOM 713 ND2 ASN A 626 -1.263 4.293 8.195 1.00 52.54 N ATOM 0 H ASN A 626 -1.070 4.474 3.197 1.00 65.53 H new ATOM 0 HA ASN A 626 0.684 2.850 4.967 1.00 33.20 H new ATOM 0 HB2 ASN A 626 0.297 5.122 5.904 1.00 11.11 H new ATOM 0 HB3 ASN A 626 -1.433 4.892 5.744 1.00 11.11 H new ATOM 0 HD21 ASN A 626 -1.317 3.897 9.133 1.00 52.54 H new ATOM 0 HD22 ASN A 626 -1.780 5.143 7.970 1.00 52.54 H new ATOM 719 N VAL A 627 -1.319 1.315 5.446 1.00 55.25 N ATOM 720 CA VAL A 627 -2.376 0.334 5.461 1.00 43.15 C ATOM 721 C VAL A 627 -3.418 0.741 6.448 1.00 3.03 C ATOM 722 O VAL A 627 -3.166 0.761 7.639 1.00 44.02 O ATOM 723 CB VAL A 627 -1.872 -1.080 5.784 1.00 3.23 C ATOM 724 CG1 VAL A 627 -3.033 -2.058 5.847 1.00 50.33 C ATOM 725 CG2 VAL A 627 -0.891 -1.519 4.735 1.00 2.10 C ATOM 0 H VAL A 627 -0.538 1.106 6.068 1.00 55.25 H new ATOM 0 HA VAL A 627 -2.799 0.297 4.457 1.00 43.15 H new ATOM 0 HB VAL A 627 -1.380 -1.063 6.756 1.00 3.23 H new ATOM 0 HG11 VAL A 627 -2.657 -3.055 6.077 1.00 50.33 H new ATOM 0 HG12 VAL A 627 -3.730 -1.745 6.624 1.00 50.33 H new ATOM 0 HG13 VAL A 627 -3.546 -2.077 4.885 1.00 50.33 H new ATOM 0 HG21 VAL A 627 -0.535 -2.523 4.967 1.00 2.10 H new ATOM 0 HG22 VAL A 627 -1.378 -1.523 3.760 1.00 2.10 H new ATOM 0 HG23 VAL A 627 -0.046 -0.830 4.716 1.00 2.10 H new ATOM 731 N CYS A 628 -4.555 1.094 5.907 1.00 25.32 N ATOM 732 CA CYS A 628 -5.754 1.561 6.586 1.00 53.02 C ATOM 733 C CYS A 628 -5.534 2.880 7.340 1.00 24.12 C ATOM 734 O CYS A 628 -4.459 3.157 7.889 1.00 33.50 O ATOM 735 CB CYS A 628 -6.449 0.460 7.481 1.00 4.34 C ATOM 736 SG CYS A 628 -5.528 -0.177 8.938 1.00 54.44 S ATOM 0 H CYS A 628 -4.685 1.062 4.896 1.00 25.32 H new ATOM 0 HA CYS A 628 -6.466 1.775 5.789 1.00 53.02 H new ATOM 0 HB2 CYS A 628 -7.395 0.868 7.837 1.00 4.34 H new ATOM 0 HB3 CYS A 628 -6.688 -0.389 6.840 1.00 4.34 H new ATOM 741 N GLY A 629 -6.556 3.676 7.368 1.00 3.33 N ATOM 742 CA GLY A 629 -6.500 4.928 8.064 1.00 60.55 C ATOM 743 C GLY A 629 -5.769 5.960 7.262 1.00 72.03 C ATOM 744 O GLY A 629 -5.757 5.906 6.032 1.00 2.52 O ATOM 0 H GLY A 629 -7.448 3.481 6.913 1.00 3.33 H new ATOM 0 HA2 GLY A 629 -7.511 5.276 8.274 1.00 60.55 H new ATOM 0 HA3 GLY A 629 -6.004 4.791 9.025 1.00 60.55 H new ATOM 748 N PRO A 630 -5.200 6.930 7.925 1.00 44.13 N ATOM 749 CA PRO A 630 -4.426 7.972 7.304 1.00 63.31 C ATOM 750 C PRO A 630 -2.919 7.670 7.279 1.00 63.53 C ATOM 751 O PRO A 630 -2.419 6.796 8.006 1.00 35.53 O ATOM 752 CB PRO A 630 -4.709 9.177 8.212 1.00 12.01 C ATOM 753 CG PRO A 630 -5.471 8.613 9.398 1.00 72.33 C ATOM 754 CD PRO A 630 -5.301 7.145 9.342 1.00 4.31 C ATOM 0 HA PRO A 630 -4.694 8.113 6.257 1.00 63.31 H new ATOM 0 HB2 PRO A 630 -3.783 9.656 8.531 1.00 12.01 H new ATOM 0 HB3 PRO A 630 -5.296 9.933 7.691 1.00 12.01 H new ATOM 0 HG2 PRO A 630 -5.084 9.014 10.335 1.00 72.33 H new ATOM 0 HG3 PRO A 630 -6.525 8.884 9.347 1.00 72.33 H new ATOM 0 HD2 PRO A 630 -4.409 6.813 9.873 1.00 4.31 H new ATOM 0 HD3 PRO A 630 -6.148 6.616 9.779 1.00 4.31 H new ATOM 762 N VAL A 631 -2.222 8.388 6.449 1.00 33.25 N ATOM 763 CA VAL A 631 -0.806 8.275 6.312 1.00 52.22 C ATOM 764 C VAL A 631 -0.160 9.482 7.003 1.00 24.32 C ATOM 765 O VAL A 631 -0.580 10.631 6.796 1.00 34.51 O ATOM 766 CB VAL A 631 -0.390 8.206 4.797 1.00 52.42 C ATOM 767 CG1 VAL A 631 -0.702 9.467 4.007 1.00 23.32 C ATOM 768 CG2 VAL A 631 1.038 7.804 4.640 1.00 5.04 C ATOM 0 H VAL A 631 -2.637 9.087 5.833 1.00 33.25 H new ATOM 0 HA VAL A 631 -0.462 7.352 6.780 1.00 52.22 H new ATOM 0 HB VAL A 631 -1.018 7.429 4.361 1.00 52.42 H new ATOM 0 HG11 VAL A 631 -0.384 9.336 2.973 1.00 23.32 H new ATOM 0 HG12 VAL A 631 -1.775 9.658 4.035 1.00 23.32 H new ATOM 0 HG13 VAL A 631 -0.171 10.312 4.446 1.00 23.32 H new ATOM 0 HG21 VAL A 631 1.291 7.767 3.580 1.00 5.04 H new ATOM 0 HG22 VAL A 631 1.678 8.531 5.140 1.00 5.04 H new ATOM 0 HG23 VAL A 631 1.190 6.820 5.084 1.00 5.04 H new ATOM 774 N SER A 632 0.813 9.244 7.831 1.00 64.51 N ATOM 775 CA SER A 632 1.432 10.325 8.529 1.00 12.14 C ATOM 776 C SER A 632 2.718 10.747 7.836 1.00 10.41 C ATOM 777 O SER A 632 3.815 10.350 8.222 1.00 44.04 O ATOM 778 CB SER A 632 1.657 9.974 10.014 1.00 32.44 C ATOM 779 OG SER A 632 2.233 11.053 10.742 1.00 54.40 O ATOM 0 H SER A 632 1.191 8.319 8.037 1.00 64.51 H new ATOM 0 HA SER A 632 0.757 11.180 8.507 1.00 12.14 H new ATOM 0 HB2 SER A 632 0.705 9.699 10.468 1.00 32.44 H new ATOM 0 HB3 SER A 632 2.308 9.102 10.085 1.00 32.44 H new ATOM 0 HG SER A 632 2.356 10.788 11.677 1.00 54.40 H new ATOM 785 N VAL A 633 2.581 11.473 6.751 1.00 1.43 N ATOM 786 CA VAL A 633 3.747 11.984 6.062 1.00 5.54 C ATOM 787 C VAL A 633 3.690 13.491 6.062 1.00 5.12 C ATOM 788 O VAL A 633 2.647 14.073 5.770 1.00 1.25 O ATOM 789 CB VAL A 633 3.856 11.468 4.599 1.00 32.13 C ATOM 790 CG1 VAL A 633 5.182 11.844 3.972 1.00 15.14 C ATOM 791 CG2 VAL A 633 3.665 9.992 4.550 1.00 64.32 C ATOM 0 H VAL A 633 1.686 11.722 6.329 1.00 1.43 H new ATOM 0 HA VAL A 633 4.629 11.625 6.592 1.00 5.54 H new ATOM 0 HB VAL A 633 3.065 11.948 4.023 1.00 32.13 H new ATOM 0 HG11 VAL A 633 5.221 11.466 2.950 1.00 15.14 H new ATOM 0 HG12 VAL A 633 5.285 12.929 3.962 1.00 15.14 H new ATOM 0 HG13 VAL A 633 5.995 11.408 4.552 1.00 15.14 H new ATOM 0 HG21 VAL A 633 3.745 9.649 3.518 1.00 64.32 H new ATOM 0 HG22 VAL A 633 4.431 9.506 5.154 1.00 64.32 H new ATOM 0 HG23 VAL A 633 2.680 9.739 4.941 1.00 64.32 H new ATOM 797 N GLY A 634 4.809 14.120 6.359 1.00 44.12 N ATOM 798 CA GLY A 634 4.883 15.567 6.439 1.00 34.13 C ATOM 799 C GLY A 634 4.791 16.256 5.088 1.00 2.44 C ATOM 800 O GLY A 634 4.971 17.466 4.989 1.00 64.04 O ATOM 0 H GLY A 634 5.691 13.645 6.551 1.00 44.12 H new ATOM 0 HA2 GLY A 634 4.077 15.929 7.078 1.00 34.13 H new ATOM 0 HA3 GLY A 634 5.821 15.849 6.918 1.00 34.13 H new ATOM 804 N ALA A 635 4.493 15.498 4.061 1.00 4.43 N ATOM 805 CA ALA A 635 4.357 16.025 2.730 1.00 1.20 C ATOM 806 C ALA A 635 3.019 15.600 2.171 1.00 63.30 C ATOM 807 O ALA A 635 2.757 15.742 0.987 1.00 64.23 O ATOM 808 CB ALA A 635 5.494 15.522 1.846 1.00 50.34 C ATOM 0 H ALA A 635 4.338 14.492 4.128 1.00 4.43 H new ATOM 0 HA ALA A 635 4.408 17.113 2.757 1.00 1.20 H new ATOM 0 HB1 ALA A 635 5.380 15.928 0.841 1.00 50.34 H new ATOM 0 HB2 ALA A 635 6.448 15.845 2.262 1.00 50.34 H new ATOM 0 HB3 ALA A 635 5.467 14.433 1.803 1.00 50.34 H new ATOM 814 N CYS A 636 2.173 15.093 3.045 1.00 50.33 N ATOM 815 CA CYS A 636 0.882 14.586 2.658 1.00 5.42 C ATOM 816 C CYS A 636 -0.173 15.102 3.620 1.00 44.22 C ATOM 817 O CYS A 636 0.146 15.387 4.777 1.00 15.22 O ATOM 818 CB CYS A 636 0.907 13.069 2.728 1.00 25.23 C ATOM 819 SG CYS A 636 2.215 12.296 1.732 1.00 73.31 S ATOM 0 H CYS A 636 2.366 15.023 4.044 1.00 50.33 H new ATOM 0 HA CYS A 636 0.649 14.914 1.645 1.00 5.42 H new ATOM 0 HB2 CYS A 636 1.032 12.767 3.768 1.00 25.23 H new ATOM 0 HB3 CYS A 636 -0.059 12.686 2.399 1.00 25.23 H new ATOM 824 N PRO A 637 -1.430 15.257 3.171 1.00 71.53 N ATOM 825 CA PRO A 637 -2.519 15.680 4.050 1.00 54.15 C ATOM 826 C PRO A 637 -2.750 14.640 5.162 1.00 0.30 C ATOM 827 O PRO A 637 -2.738 13.443 4.895 1.00 14.54 O ATOM 828 CB PRO A 637 -3.748 15.726 3.130 1.00 11.14 C ATOM 829 CG PRO A 637 -3.212 15.736 1.738 1.00 44.25 C ATOM 830 CD PRO A 637 -1.887 15.043 1.783 1.00 41.44 C ATOM 0 HA PRO A 637 -2.310 16.632 4.537 1.00 54.15 H new ATOM 0 HB2 PRO A 637 -4.393 14.863 3.295 1.00 11.14 H new ATOM 0 HB3 PRO A 637 -4.349 16.614 3.324 1.00 11.14 H new ATOM 0 HG2 PRO A 637 -3.893 15.225 1.057 1.00 44.25 H new ATOM 0 HG3 PRO A 637 -3.103 16.757 1.373 1.00 44.25 H new ATOM 0 HD2 PRO A 637 -1.981 13.982 1.551 1.00 41.44 H new ATOM 0 HD3 PRO A 637 -1.188 15.466 1.061 1.00 41.44 H new ATOM 838 N PRO A 638 -2.965 15.072 6.417 1.00 22.04 N ATOM 839 CA PRO A 638 -3.186 14.151 7.553 1.00 61.20 C ATOM 840 C PRO A 638 -4.498 13.371 7.420 1.00 71.22 C ATOM 841 O PRO A 638 -4.721 12.381 8.119 1.00 43.31 O ATOM 842 CB PRO A 638 -3.240 15.088 8.766 1.00 31.40 C ATOM 843 CG PRO A 638 -2.606 16.346 8.294 1.00 45.44 C ATOM 844 CD PRO A 638 -2.984 16.467 6.857 1.00 63.14 C ATOM 0 HA PRO A 638 -2.408 13.391 7.620 1.00 61.20 H new ATOM 0 HB2 PRO A 638 -4.267 15.258 9.090 1.00 31.40 H new ATOM 0 HB3 PRO A 638 -2.703 14.668 9.616 1.00 31.40 H new ATOM 0 HG2 PRO A 638 -2.960 17.203 8.867 1.00 45.44 H new ATOM 0 HG3 PRO A 638 -1.523 16.309 8.413 1.00 45.44 H new ATOM 0 HD2 PRO A 638 -3.967 16.921 6.731 1.00 63.14 H new ATOM 0 HD3 PRO A 638 -2.276 17.080 6.299 1.00 63.14 H new ATOM 852 N ASP A 639 -5.370 13.835 6.536 1.00 62.50 N ATOM 853 CA ASP A 639 -6.621 13.138 6.253 1.00 33.12 C ATOM 854 C ASP A 639 -6.458 12.224 5.058 1.00 53.10 C ATOM 855 O ASP A 639 -7.415 11.624 4.601 1.00 64.13 O ATOM 856 CB ASP A 639 -7.801 14.104 6.015 1.00 31.30 C ATOM 857 CG ASP A 639 -7.621 15.033 4.825 1.00 31.53 C ATOM 858 OD1 ASP A 639 -7.957 14.650 3.692 1.00 5.03 O ATOM 859 OD2 ASP A 639 -7.162 16.190 5.024 1.00 23.30 O ATOM 0 H ASP A 639 -5.236 14.693 6.000 1.00 62.50 H new ATOM 0 HA ASP A 639 -6.857 12.548 7.139 1.00 33.12 H new ATOM 0 HB2 ASP A 639 -8.710 13.520 5.870 1.00 31.30 H new ATOM 0 HB3 ASP A 639 -7.949 14.706 6.912 1.00 31.30 H new ATOM 864 N SER A 640 -5.249 12.108 4.568 1.00 42.32 N ATOM 865 CA SER A 640 -4.970 11.262 3.445 1.00 55.35 C ATOM 866 C SER A 640 -4.430 9.940 3.945 1.00 1.44 C ATOM 867 O SER A 640 -3.792 9.899 4.979 1.00 72.12 O ATOM 868 CB SER A 640 -3.943 11.931 2.533 1.00 53.33 C ATOM 869 OG SER A 640 -3.722 11.183 1.356 1.00 2.42 O ATOM 0 H SER A 640 -4.435 12.598 4.939 1.00 42.32 H new ATOM 0 HA SER A 640 -5.885 11.093 2.878 1.00 55.35 H new ATOM 0 HB2 SER A 640 -4.288 12.931 2.269 1.00 53.33 H new ATOM 0 HB3 SER A 640 -3.002 12.050 3.070 1.00 53.33 H new ATOM 0 HG SER A 640 -4.227 11.580 0.616 1.00 2.42 H new ATOM 875 N GLY A 641 -4.717 8.873 3.230 1.00 31.14 N ATOM 876 CA GLY A 641 -4.193 7.563 3.579 1.00 62.40 C ATOM 877 C GLY A 641 -3.187 7.072 2.554 1.00 32.10 C ATOM 878 O GLY A 641 -2.453 6.101 2.790 1.00 74.14 O ATOM 0 H GLY A 641 -5.311 8.884 2.401 1.00 31.14 H new ATOM 0 HA2 GLY A 641 -3.720 7.609 4.560 1.00 62.40 H new ATOM 0 HA3 GLY A 641 -5.014 6.850 3.654 1.00 62.40 H new ATOM 882 N ALA A 642 -3.149 7.756 1.427 1.00 51.31 N ATOM 883 CA ALA A 642 -2.254 7.440 0.338 1.00 31.01 C ATOM 884 C ALA A 642 -1.980 8.715 -0.430 1.00 34.42 C ATOM 885 O ALA A 642 -2.908 9.412 -0.863 1.00 53.21 O ATOM 886 CB ALA A 642 -2.859 6.372 -0.557 1.00 41.55 C ATOM 0 H ALA A 642 -3.750 8.559 1.242 1.00 51.31 H new ATOM 0 HA ALA A 642 -1.316 7.039 0.722 1.00 31.01 H new ATOM 0 HB1 ALA A 642 -2.171 6.147 -1.372 1.00 41.55 H new ATOM 0 HB2 ALA A 642 -3.039 5.469 0.026 1.00 41.55 H new ATOM 0 HB3 ALA A 642 -3.802 6.733 -0.968 1.00 41.55 H new ATOM 892 N CYS A 643 -0.738 9.032 -0.579 1.00 54.11 N ATOM 893 CA CYS A 643 -0.332 10.275 -1.162 1.00 10.22 C ATOM 894 C CYS A 643 0.857 10.098 -2.085 1.00 42.21 C ATOM 895 O CYS A 643 1.778 9.352 -1.781 1.00 41.15 O ATOM 896 CB CYS A 643 0.022 11.245 -0.049 1.00 75.22 C ATOM 897 SG CYS A 643 1.329 10.621 1.067 1.00 64.00 S ATOM 0 H CYS A 643 0.036 8.431 -0.297 1.00 54.11 H new ATOM 0 HA CYS A 643 -1.157 10.664 -1.759 1.00 10.22 H new ATOM 0 HB2 CYS A 643 0.349 12.187 -0.488 1.00 75.22 H new ATOM 0 HB3 CYS A 643 -0.873 11.459 0.535 1.00 75.22 H new ATOM 902 N GLN A 644 0.827 10.731 -3.220 1.00 43.42 N ATOM 903 CA GLN A 644 1.983 10.718 -4.072 1.00 70.42 C ATOM 904 C GLN A 644 2.644 12.036 -4.020 1.00 44.41 C ATOM 905 O GLN A 644 1.996 13.042 -3.907 1.00 14.53 O ATOM 906 CB GLN A 644 1.705 10.400 -5.516 1.00 32.23 C ATOM 907 CG GLN A 644 0.660 11.255 -6.193 1.00 13.30 C ATOM 908 CD GLN A 644 0.623 11.027 -7.688 1.00 64.14 C ATOM 909 OE1 GLN A 644 -0.085 10.171 -8.187 1.00 61.33 O ATOM 910 NE2 GLN A 644 1.382 11.809 -8.412 1.00 63.52 N ATOM 0 H GLN A 644 0.028 11.256 -3.576 1.00 43.42 H new ATOM 0 HA GLN A 644 2.612 9.915 -3.687 1.00 70.42 H new ATOM 0 HB2 GLN A 644 2.637 10.491 -6.073 1.00 32.23 H new ATOM 0 HB3 GLN A 644 1.393 9.358 -5.584 1.00 32.23 H new ATOM 0 HG2 GLN A 644 -0.319 11.035 -5.768 1.00 13.30 H new ATOM 0 HG3 GLN A 644 0.866 12.306 -5.992 1.00 13.30 H new ATOM 0 HE21 GLN A 644 1.963 12.516 -7.961 1.00 63.52 H new ATOM 0 HE22 GLN A 644 1.393 11.712 -9.427 1.00 63.52 H new ATOM 918 N VAL A 645 3.906 12.028 -4.095 1.00 4.53 N ATOM 919 CA VAL A 645 4.672 13.221 -4.047 1.00 52.14 C ATOM 920 C VAL A 645 5.663 13.195 -5.194 1.00 54.44 C ATOM 921 O VAL A 645 6.285 12.164 -5.467 1.00 52.03 O ATOM 922 CB VAL A 645 5.442 13.308 -2.718 1.00 43.35 C ATOM 923 CG1 VAL A 645 6.349 14.544 -2.636 1.00 71.43 C ATOM 924 CG2 VAL A 645 4.527 13.213 -1.499 1.00 60.40 C ATOM 0 H VAL A 645 4.462 11.178 -4.194 1.00 4.53 H new ATOM 0 HA VAL A 645 4.011 14.084 -4.126 1.00 52.14 H new ATOM 0 HB VAL A 645 6.091 12.433 -2.702 1.00 43.35 H new ATOM 0 HG11 VAL A 645 6.867 14.552 -1.677 1.00 71.43 H new ATOM 0 HG12 VAL A 645 7.081 14.512 -3.443 1.00 71.43 H new ATOM 0 HG13 VAL A 645 5.744 15.446 -2.730 1.00 71.43 H new ATOM 0 HG21 VAL A 645 5.124 13.280 -0.590 1.00 60.40 H new ATOM 0 HG22 VAL A 645 3.806 14.030 -1.521 1.00 60.40 H new ATOM 0 HG23 VAL A 645 3.997 12.261 -1.515 1.00 60.40 H new ATOM 930 N SER A 646 5.780 14.282 -5.880 1.00 43.04 N ATOM 931 CA SER A 646 6.735 14.403 -6.924 1.00 43.42 C ATOM 932 C SER A 646 8.034 14.814 -6.308 1.00 23.40 C ATOM 933 O SER A 646 8.126 15.864 -5.710 1.00 42.51 O ATOM 934 CB SER A 646 6.290 15.448 -7.962 1.00 71.43 C ATOM 935 OG SER A 646 7.269 15.628 -8.981 1.00 12.21 O ATOM 0 H SER A 646 5.211 15.115 -5.729 1.00 43.04 H new ATOM 0 HA SER A 646 6.837 13.450 -7.443 1.00 43.42 H new ATOM 0 HB2 SER A 646 5.348 15.135 -8.413 1.00 71.43 H new ATOM 0 HB3 SER A 646 6.104 16.399 -7.464 1.00 71.43 H new ATOM 0 HG SER A 646 6.900 16.190 -9.694 1.00 12.21 H new ATOM 941 N ARG A 647 9.024 13.989 -6.419 1.00 13.41 N ATOM 942 CA ARG A 647 10.330 14.328 -5.904 1.00 23.44 C ATOM 943 C ARG A 647 10.957 15.417 -6.791 1.00 13.32 C ATOM 944 O ARG A 647 11.821 16.174 -6.360 1.00 52.31 O ATOM 945 CB ARG A 647 11.209 13.070 -5.787 1.00 40.13 C ATOM 946 CG ARG A 647 11.527 12.395 -7.103 1.00 71.33 C ATOM 947 CD ARG A 647 12.106 11.013 -6.892 1.00 15.34 C ATOM 948 NE ARG A 647 13.332 11.010 -6.106 1.00 30.34 N ATOM 949 CZ ARG A 647 13.673 10.032 -5.248 1.00 40.33 C ATOM 950 NH1 ARG A 647 12.814 9.051 -4.980 1.00 1.52 N ATOM 951 NH2 ARG A 647 14.862 10.050 -4.660 1.00 24.14 N ATOM 0 H ARG A 647 8.963 13.072 -6.861 1.00 13.41 H new ATOM 0 HA ARG A 647 10.242 14.733 -4.896 1.00 23.44 H new ATOM 0 HB2 ARG A 647 12.145 13.342 -5.298 1.00 40.13 H new ATOM 0 HB3 ARG A 647 10.707 12.352 -5.138 1.00 40.13 H new ATOM 0 HG2 ARG A 647 10.621 12.323 -7.704 1.00 71.33 H new ATOM 0 HG3 ARG A 647 12.235 13.005 -7.664 1.00 71.33 H new ATOM 0 HD2 ARG A 647 11.364 10.389 -6.395 1.00 15.34 H new ATOM 0 HD3 ARG A 647 12.305 10.559 -7.863 1.00 15.34 H new ATOM 0 HE ARG A 647 13.971 11.798 -6.213 1.00 30.34 H new ATOM 0 HH11 ARG A 647 11.896 9.041 -5.425 1.00 1.52 H new ATOM 0 HH12 ARG A 647 13.073 8.310 -4.329 1.00 1.52 H new ATOM 0 HH21 ARG A 647 15.518 10.806 -4.859 1.00 24.14 H new ATOM 0 HH22 ARG A 647 15.120 9.308 -4.009 1.00 24.14 H new ATOM 963 N SER A 648 10.454 15.501 -8.021 1.00 72.50 N ATOM 964 CA SER A 648 10.914 16.467 -8.991 1.00 11.13 C ATOM 965 C SER A 648 10.264 17.847 -8.736 1.00 74.30 C ATOM 966 O SER A 648 10.951 18.860 -8.670 1.00 22.23 O ATOM 967 CB SER A 648 10.562 15.964 -10.411 1.00 1.13 C ATOM 968 OG SER A 648 11.092 16.806 -11.421 1.00 60.32 O ATOM 0 H SER A 648 9.711 14.893 -8.365 1.00 72.50 H new ATOM 0 HA SER A 648 11.994 16.581 -8.900 1.00 11.13 H new ATOM 0 HB2 SER A 648 10.948 14.953 -10.543 1.00 1.13 H new ATOM 0 HB3 SER A 648 9.479 15.908 -10.517 1.00 1.13 H new ATOM 0 HG SER A 648 10.849 16.453 -12.302 1.00 60.32 H new ATOM 974 N ASP A 649 8.941 17.864 -8.550 1.00 54.04 N ATOM 975 CA ASP A 649 8.191 19.139 -8.388 1.00 3.02 C ATOM 976 C ASP A 649 8.039 19.515 -6.931 1.00 51.05 C ATOM 977 O ASP A 649 7.759 20.662 -6.597 1.00 43.40 O ATOM 978 CB ASP A 649 6.767 19.035 -8.987 1.00 35.35 C ATOM 979 CG ASP A 649 6.721 18.689 -10.456 1.00 72.44 C ATOM 980 OD1 ASP A 649 6.801 19.601 -11.288 1.00 53.34 O ATOM 981 OD2 ASP A 649 6.576 17.484 -10.791 1.00 44.14 O ATOM 0 H ASP A 649 8.361 17.026 -8.506 1.00 54.04 H new ATOM 0 HA ASP A 649 8.771 19.898 -8.913 1.00 3.02 H new ATOM 0 HB2 ASP A 649 6.209 18.280 -8.433 1.00 35.35 H new ATOM 0 HB3 ASP A 649 6.254 19.985 -8.836 1.00 35.35 H new ATOM 986 N ARG A 650 8.209 18.534 -6.085 1.00 40.10 N ATOM 987 CA ARG A 650 7.992 18.634 -4.629 1.00 72.14 C ATOM 988 C ARG A 650 6.555 18.888 -4.259 1.00 35.33 C ATOM 989 O ARG A 650 6.245 19.271 -3.129 1.00 72.52 O ATOM 990 CB ARG A 650 8.961 19.569 -3.900 1.00 64.32 C ATOM 991 CG ARG A 650 10.405 19.088 -3.894 1.00 31.05 C ATOM 992 CD ARG A 650 10.528 17.640 -3.401 1.00 32.03 C ATOM 993 NE ARG A 650 9.847 17.394 -2.112 1.00 13.31 N ATOM 994 CZ ARG A 650 9.770 16.190 -1.507 1.00 1.15 C ATOM 995 NH1 ARG A 650 10.458 15.156 -1.979 1.00 44.51 N ATOM 996 NH2 ARG A 650 9.037 16.039 -0.411 1.00 75.25 N ATOM 0 H ARG A 650 8.512 17.605 -6.379 1.00 40.10 H new ATOM 0 HA ARG A 650 8.236 17.638 -4.258 1.00 72.14 H new ATOM 0 HB2 ARG A 650 8.919 20.553 -4.367 1.00 64.32 H new ATOM 0 HB3 ARG A 650 8.626 19.690 -2.870 1.00 64.32 H new ATOM 0 HG2 ARG A 650 10.816 19.164 -4.901 1.00 31.05 H new ATOM 0 HG3 ARG A 650 11.001 19.740 -3.256 1.00 31.05 H new ATOM 0 HD2 ARG A 650 10.113 16.972 -4.155 1.00 32.03 H new ATOM 0 HD3 ARG A 650 11.584 17.388 -3.299 1.00 32.03 H new ATOM 0 HE ARG A 650 9.405 18.188 -1.648 1.00 13.31 H new ATOM 0 HH11 ARG A 650 11.048 15.270 -2.803 1.00 44.51 H new ATOM 0 HH12 ARG A 650 10.396 14.249 -1.517 1.00 44.51 H new ATOM 0 HH21 ARG A 650 8.530 16.834 -0.023 1.00 75.25 H new ATOM 0 HH22 ARG A 650 8.981 15.128 0.044 1.00 75.25 H new ATOM 1008 N LYS A 651 5.683 18.609 -5.179 1.00 53.32 N ATOM 1009 CA LYS A 651 4.275 18.715 -4.939 1.00 61.33 C ATOM 1010 C LYS A 651 3.741 17.373 -4.625 1.00 60.13 C ATOM 1011 O LYS A 651 4.338 16.368 -5.010 1.00 42.54 O ATOM 1012 CB LYS A 651 3.554 19.252 -6.138 1.00 11.44 C ATOM 1013 CG LYS A 651 3.992 20.631 -6.525 1.00 44.02 C ATOM 1014 CD LYS A 651 3.102 21.202 -7.617 1.00 20.01 C ATOM 1015 CE LYS A 651 1.653 21.376 -7.160 1.00 75.50 C ATOM 1016 NZ LYS A 651 0.804 21.961 -8.219 1.00 64.43 N ATOM 0 H LYS A 651 5.928 18.301 -6.120 1.00 53.32 H new ATOM 0 HA LYS A 651 4.120 19.402 -4.107 1.00 61.33 H new ATOM 0 HB2 LYS A 651 3.712 18.578 -6.980 1.00 11.44 H new ATOM 0 HB3 LYS A 651 2.483 19.262 -5.935 1.00 11.44 H new ATOM 0 HG2 LYS A 651 3.965 21.283 -5.652 1.00 44.02 H new ATOM 0 HG3 LYS A 651 5.025 20.604 -6.871 1.00 44.02 H new ATOM 0 HD2 LYS A 651 3.497 22.166 -7.936 1.00 20.01 H new ATOM 0 HD3 LYS A 651 3.129 20.543 -8.485 1.00 20.01 H new ATOM 0 HE2 LYS A 651 1.248 20.408 -6.864 1.00 75.50 H new ATOM 0 HE3 LYS A 651 1.625 22.016 -6.278 1.00 75.50 H new ATOM 0 HZ1 LYS A 651 -0.170 22.062 -7.867 1.00 64.43 H new ATOM 0 HZ2 LYS A 651 1.175 22.896 -8.484 1.00 64.43 H new ATOM 0 HZ3 LYS A 651 0.809 21.338 -9.052 1.00 64.43 H new ATOM 1030 N SER A 652 2.638 17.333 -3.982 1.00 0.31 N ATOM 1031 CA SER A 652 2.075 16.086 -3.618 1.00 72.03 C ATOM 1032 C SER A 652 0.639 16.041 -4.005 1.00 63.45 C ATOM 1033 O SER A 652 -0.027 17.081 -4.115 1.00 33.25 O ATOM 1034 CB SER A 652 2.194 15.839 -2.142 1.00 42.44 C ATOM 1035 OG SER A 652 3.498 16.132 -1.664 1.00 73.13 O ATOM 0 H SER A 652 2.102 18.152 -3.694 1.00 0.31 H new ATOM 0 HA SER A 652 2.628 15.309 -4.146 1.00 72.03 H new ATOM 0 HB2 SER A 652 1.466 16.451 -1.611 1.00 42.44 H new ATOM 0 HB3 SER A 652 1.953 14.798 -1.927 1.00 42.44 H new ATOM 0 HG SER A 652 3.511 16.062 -0.687 1.00 73.13 H new ATOM 1041 N TRP A 653 0.161 14.863 -4.217 1.00 60.42 N ATOM 1042 CA TRP A 653 -1.231 14.673 -4.596 1.00 42.34 C ATOM 1043 C TRP A 653 -1.907 13.672 -3.697 1.00 52.43 C ATOM 1044 O TRP A 653 -1.253 12.796 -3.114 1.00 43.04 O ATOM 1045 CB TRP A 653 -1.377 14.280 -6.075 1.00 3.23 C ATOM 1046 CG TRP A 653 -0.885 15.336 -7.019 1.00 60.44 C ATOM 1047 CD1 TRP A 653 -1.628 16.294 -7.639 1.00 33.44 C ATOM 1048 CD2 TRP A 653 0.466 15.546 -7.432 1.00 22.22 C ATOM 1049 NE1 TRP A 653 -0.819 17.083 -8.414 1.00 43.54 N ATOM 1050 CE2 TRP A 653 0.473 16.641 -8.304 1.00 61.51 C ATOM 1051 CE3 TRP A 653 1.665 14.910 -7.144 1.00 3.33 C ATOM 1052 CZ2 TRP A 653 1.640 17.112 -8.893 1.00 71.11 C ATOM 1053 CZ3 TRP A 653 2.813 15.367 -7.716 1.00 4.45 C ATOM 1054 CH2 TRP A 653 2.802 16.462 -8.587 1.00 53.10 C ATOM 0 H TRP A 653 0.702 14.002 -4.138 1.00 60.42 H new ATOM 0 HA TRP A 653 -1.732 15.633 -4.469 1.00 42.34 H new ATOM 0 HB2 TRP A 653 -0.827 13.356 -6.255 1.00 3.23 H new ATOM 0 HB3 TRP A 653 -2.426 14.072 -6.287 1.00 3.23 H new ATOM 0 HD1 TRP A 653 -2.696 16.414 -7.535 1.00 33.44 H new ATOM 0 HE1 TRP A 653 -1.129 17.872 -8.981 1.00 43.54 H new ATOM 0 HE3 TRP A 653 1.687 14.063 -6.474 1.00 3.33 H new ATOM 0 HZ2 TRP A 653 1.629 17.957 -9.565 1.00 71.11 H new ATOM 0 HZ3 TRP A 653 3.749 14.876 -7.493 1.00 4.45 H new ATOM 0 HH2 TRP A 653 3.729 16.800 -9.026 1.00 53.10 H new ATOM 1065 N ASN A 654 -3.209 13.778 -3.600 1.00 12.22 N ATOM 1066 CA ASN A 654 -3.972 12.939 -2.715 1.00 52.11 C ATOM 1067 C ASN A 654 -4.508 11.764 -3.489 1.00 44.33 C ATOM 1068 O ASN A 654 -5.271 11.946 -4.432 1.00 3.44 O ATOM 1069 CB ASN A 654 -5.164 13.705 -2.154 1.00 10.55 C ATOM 1070 CG ASN A 654 -5.819 12.973 -1.012 1.00 24.04 C ATOM 1071 OD1 ASN A 654 -5.459 13.150 0.136 1.00 31.54 O ATOM 1072 ND2 ASN A 654 -6.758 12.134 -1.312 1.00 73.21 N ATOM 0 H ASN A 654 -3.767 14.447 -4.131 1.00 12.22 H new ATOM 0 HA ASN A 654 -3.323 12.613 -1.902 1.00 52.11 H new ATOM 0 HB2 ASN A 654 -4.836 14.687 -1.814 1.00 10.55 H new ATOM 0 HB3 ASN A 654 -5.895 13.869 -2.946 1.00 10.55 H new ATOM 0 HD21 ASN A 654 -7.218 11.599 -0.576 1.00 73.21 H new ATOM 0 HD22 ASN A 654 -7.038 12.008 -2.285 1.00 73.21 H new ATOM 1078 N LEU A 655 -4.143 10.576 -3.078 1.00 22.25 N ATOM 1079 CA LEU A 655 -4.555 9.366 -3.770 1.00 20.42 C ATOM 1080 C LEU A 655 -5.653 8.655 -2.989 1.00 40.12 C ATOM 1081 O LEU A 655 -5.950 7.491 -3.218 1.00 5.33 O ATOM 1082 CB LEU A 655 -3.354 8.455 -3.946 1.00 34.41 C ATOM 1083 CG LEU A 655 -2.173 9.053 -4.693 1.00 44.30 C ATOM 1084 CD1 LEU A 655 -1.053 8.052 -4.807 1.00 3.31 C ATOM 1085 CD2 LEU A 655 -2.597 9.541 -6.059 1.00 21.22 C ATOM 0 H LEU A 655 -3.556 10.413 -2.260 1.00 22.25 H new ATOM 0 HA LEU A 655 -4.953 9.629 -4.750 1.00 20.42 H new ATOM 0 HB2 LEU A 655 -3.014 8.139 -2.960 1.00 34.41 H new ATOM 0 HB3 LEU A 655 -3.677 7.558 -4.474 1.00 34.41 H new ATOM 0 HG LEU A 655 -1.807 9.908 -4.125 1.00 44.30 H new ATOM 0 HD11 LEU A 655 -0.218 8.500 -5.345 1.00 3.31 H new ATOM 0 HD12 LEU A 655 -0.726 7.757 -3.810 1.00 3.31 H new ATOM 0 HD13 LEU A 655 -1.404 7.174 -5.349 1.00 3.31 H new ATOM 0 HD21 LEU A 655 -1.737 9.965 -6.577 1.00 21.22 H new ATOM 0 HD22 LEU A 655 -2.993 8.706 -6.637 1.00 21.22 H new ATOM 0 HD23 LEU A 655 -3.367 10.304 -5.950 1.00 21.22 H new ATOM 1093 N GLY A 656 -6.230 9.359 -2.063 1.00 62.22 N ATOM 1094 CA GLY A 656 -7.321 8.834 -1.311 1.00 24.14 C ATOM 1095 C GLY A 656 -7.262 9.270 0.115 1.00 44.13 C ATOM 1096 O GLY A 656 -6.188 9.298 0.721 1.00 70.20 O ATOM 0 H GLY A 656 -5.957 10.309 -1.811 1.00 62.22 H new ATOM 0 HA2 GLY A 656 -8.261 9.162 -1.754 1.00 24.14 H new ATOM 0 HA3 GLY A 656 -7.308 7.745 -1.361 1.00 24.14 H new ATOM 1100 N ARG A 657 -8.397 9.654 0.658 1.00 24.41 N ATOM 1101 CA ARG A 657 -8.450 10.073 2.022 1.00 52.33 C ATOM 1102 C ARG A 657 -8.435 8.859 2.933 1.00 4.55 C ATOM 1103 O ARG A 657 -8.577 7.726 2.456 1.00 52.42 O ATOM 1104 CB ARG A 657 -9.677 10.922 2.297 1.00 74.23 C ATOM 1105 CG ARG A 657 -9.808 12.148 1.420 1.00 72.32 C ATOM 1106 CD ARG A 657 -10.942 13.025 1.900 1.00 2.24 C ATOM 1107 NE ARG A 657 -11.195 14.152 1.000 1.00 40.24 N ATOM 1108 CZ ARG A 657 -10.855 15.419 1.248 1.00 14.30 C ATOM 1109 NH1 ARG A 657 -10.057 15.718 2.268 1.00 42.24 N ATOM 1110 NH2 ARG A 657 -11.268 16.379 0.439 1.00 14.33 N ATOM 0 H ARG A 657 -9.291 9.681 0.167 1.00 24.41 H new ATOM 0 HA ARG A 657 -7.572 10.688 2.222 1.00 52.33 H new ATOM 0 HB2 ARG A 657 -10.566 10.304 2.169 1.00 74.23 H new ATOM 0 HB3 ARG A 657 -9.657 11.239 3.340 1.00 74.23 H new ATOM 0 HG2 ARG A 657 -8.875 12.712 1.431 1.00 72.32 H new ATOM 0 HG3 ARG A 657 -9.986 11.846 0.388 1.00 72.32 H new ATOM 0 HD2 ARG A 657 -11.848 12.426 1.991 1.00 2.24 H new ATOM 0 HD3 ARG A 657 -10.709 13.403 2.895 1.00 2.24 H new ATOM 0 HE ARG A 657 -11.666 13.954 0.117 1.00 40.24 H new ATOM 0 HH11 ARG A 657 -9.699 14.976 2.870 1.00 42.24 H new ATOM 0 HH12 ARG A 657 -9.803 16.689 2.449 1.00 42.24 H new ATOM 0 HH21 ARG A 657 -11.844 16.151 -0.371 1.00 14.33 H new ATOM 0 HH22 ARG A 657 -11.011 17.348 0.625 1.00 14.33 H new ATOM 1122 N SER A 658 -8.293 9.105 4.210 1.00 21.33 N ATOM 1123 CA SER A 658 -8.197 8.082 5.222 1.00 14.31 C ATOM 1124 C SER A 658 -9.399 7.142 5.207 1.00 61.34 C ATOM 1125 O SER A 658 -10.554 7.573 5.303 1.00 10.44 O ATOM 1126 CB SER A 658 -8.062 8.760 6.572 1.00 72.14 C ATOM 1127 OG SER A 658 -9.092 9.725 6.743 1.00 23.32 O ATOM 0 H SER A 658 -8.239 10.051 4.587 1.00 21.33 H new ATOM 0 HA SER A 658 -7.322 7.464 5.018 1.00 14.31 H new ATOM 0 HB2 SER A 658 -8.115 8.016 7.367 1.00 72.14 H new ATOM 0 HB3 SER A 658 -7.087 9.241 6.650 1.00 72.14 H new ATOM 0 HG SER A 658 -9.944 9.352 6.434 1.00 23.32 H new ATOM 1133 N ASN A 659 -9.118 5.877 5.071 1.00 2.53 N ATOM 1134 CA ASN A 659 -10.130 4.859 5.011 1.00 52.14 C ATOM 1135 C ASN A 659 -9.535 3.586 5.535 1.00 44.12 C ATOM 1136 O ASN A 659 -8.363 3.324 5.319 1.00 52.24 O ATOM 1137 CB ASN A 659 -10.589 4.678 3.575 1.00 51.11 C ATOM 1138 CG ASN A 659 -11.737 3.719 3.433 1.00 73.13 C ATOM 1139 OD1 ASN A 659 -12.559 3.567 4.331 1.00 65.10 O ATOM 1140 ND2 ASN A 659 -11.795 3.066 2.326 1.00 33.53 N ATOM 0 H ASN A 659 -8.166 5.518 4.998 1.00 2.53 H new ATOM 0 HA ASN A 659 -10.995 5.140 5.612 1.00 52.14 H new ATOM 0 HB2 ASN A 659 -10.882 5.647 3.170 1.00 51.11 H new ATOM 0 HB3 ASN A 659 -9.751 4.322 2.975 1.00 51.11 H new ATOM 0 HD21 ASN A 659 -12.545 2.392 2.170 1.00 33.53 H new ATOM 0 HD22 ASN A 659 -11.091 3.222 1.604 1.00 33.53 H new ATOM 1146 N ALA A 660 -10.292 2.809 6.226 1.00 44.42 N ATOM 1147 CA ALA A 660 -9.752 1.619 6.817 1.00 42.04 C ATOM 1148 C ALA A 660 -10.513 0.412 6.370 1.00 43.14 C ATOM 1149 O ALA A 660 -10.246 -0.692 6.821 1.00 1.51 O ATOM 1150 CB ALA A 660 -9.747 1.735 8.336 1.00 22.24 C ATOM 0 H ALA A 660 -11.284 2.968 6.400 1.00 44.42 H new ATOM 0 HA ALA A 660 -8.721 1.504 6.483 1.00 42.04 H new ATOM 0 HB1 ALA A 660 -9.334 0.824 8.769 1.00 22.24 H new ATOM 0 HB2 ALA A 660 -9.136 2.587 8.634 1.00 22.24 H new ATOM 0 HB3 ALA A 660 -10.767 1.877 8.693 1.00 22.24 H new ATOM 1156 N LYS A 661 -11.433 0.618 5.462 1.00 62.10 N ATOM 1157 CA LYS A 661 -12.285 -0.444 4.997 1.00 11.41 C ATOM 1158 C LYS A 661 -11.546 -1.334 4.013 1.00 44.31 C ATOM 1159 O LYS A 661 -11.238 -0.923 2.889 1.00 71.23 O ATOM 1160 CB LYS A 661 -13.559 0.116 4.355 1.00 34.10 C ATOM 1161 CG LYS A 661 -14.337 1.067 5.237 1.00 5.23 C ATOM 1162 CD LYS A 661 -14.660 0.430 6.562 1.00 74.32 C ATOM 1163 CE LYS A 661 -15.602 1.283 7.367 1.00 15.00 C ATOM 1164 NZ LYS A 661 -15.011 2.581 7.758 1.00 3.13 N ATOM 0 H LYS A 661 -11.611 1.523 5.027 1.00 62.10 H new ATOM 0 HA LYS A 661 -12.572 -1.045 5.860 1.00 11.41 H new ATOM 0 HB2 LYS A 661 -13.290 0.632 3.433 1.00 34.10 H new ATOM 0 HB3 LYS A 661 -14.207 -0.715 4.077 1.00 34.10 H new ATOM 0 HG2 LYS A 661 -13.758 1.976 5.398 1.00 5.23 H new ATOM 0 HG3 LYS A 661 -15.259 1.361 4.736 1.00 5.23 H new ATOM 0 HD2 LYS A 661 -15.106 -0.551 6.397 1.00 74.32 H new ATOM 0 HD3 LYS A 661 -13.740 0.271 7.125 1.00 74.32 H new ATOM 0 HE2 LYS A 661 -16.508 1.462 6.787 1.00 15.00 H new ATOM 0 HE3 LYS A 661 -15.899 0.740 8.264 1.00 15.00 H new ATOM 0 HZ1 LYS A 661 -15.721 3.147 8.266 1.00 3.13 H new ATOM 0 HZ2 LYS A 661 -14.191 2.417 8.377 1.00 3.13 H new ATOM 0 HZ3 LYS A 661 -14.705 3.094 6.906 1.00 3.13 H new ATOM 1178 N LEU A 662 -11.245 -2.530 4.444 1.00 31.13 N ATOM 1179 CA LEU A 662 -10.588 -3.487 3.593 1.00 12.42 C ATOM 1180 C LEU A 662 -11.632 -4.202 2.761 1.00 61.33 C ATOM 1181 O LEU A 662 -12.752 -4.419 3.214 1.00 62.23 O ATOM 1182 CB LEU A 662 -9.829 -4.525 4.416 1.00 53.41 C ATOM 1183 CG LEU A 662 -8.700 -4.055 5.326 1.00 14.34 C ATOM 1184 CD1 LEU A 662 -8.068 -5.247 5.998 1.00 13.00 C ATOM 1185 CD2 LEU A 662 -7.655 -3.293 4.552 1.00 72.44 C ATOM 0 H LEU A 662 -11.446 -2.867 5.386 1.00 31.13 H new ATOM 0 HA LEU A 662 -9.879 -2.955 2.958 1.00 12.42 H new ATOM 0 HB2 LEU A 662 -10.555 -5.051 5.035 1.00 53.41 H new ATOM 0 HB3 LEU A 662 -9.412 -5.256 3.723 1.00 53.41 H new ATOM 0 HG LEU A 662 -9.120 -3.385 6.076 1.00 14.34 H new ATOM 0 HD11 LEU A 662 -7.260 -4.912 6.649 1.00 13.00 H new ATOM 0 HD12 LEU A 662 -8.818 -5.771 6.591 1.00 13.00 H new ATOM 0 HD13 LEU A 662 -7.668 -5.922 5.241 1.00 13.00 H new ATOM 0 HD21 LEU A 662 -6.863 -2.971 5.229 1.00 72.44 H new ATOM 0 HD22 LEU A 662 -7.233 -3.936 3.780 1.00 72.44 H new ATOM 0 HD23 LEU A 662 -8.112 -2.419 4.087 1.00 72.44 H new ATOM 1193 N SER A 663 -11.292 -4.549 1.564 1.00 34.50 N ATOM 1194 CA SER A 663 -12.186 -5.265 0.709 1.00 24.14 C ATOM 1195 C SER A 663 -11.561 -6.594 0.338 1.00 12.22 C ATOM 1196 O SER A 663 -10.359 -6.693 0.139 1.00 51.51 O ATOM 1197 CB SER A 663 -12.490 -4.434 -0.532 1.00 71.01 C ATOM 1198 OG SER A 663 -13.025 -3.172 -0.149 1.00 71.34 O ATOM 0 H SER A 663 -10.384 -4.344 1.148 1.00 34.50 H new ATOM 0 HA SER A 663 -13.127 -5.454 1.226 1.00 24.14 H new ATOM 0 HB2 SER A 663 -11.581 -4.291 -1.117 1.00 71.01 H new ATOM 0 HB3 SER A 663 -13.200 -4.962 -1.169 1.00 71.01 H new ATOM 0 HG SER A 663 -13.217 -2.641 -0.950 1.00 71.34 H new ATOM 1204 N TYR A 664 -12.341 -7.594 0.281 1.00 64.11 N ATOM 1205 CA TYR A 664 -11.848 -8.871 -0.047 1.00 55.14 C ATOM 1206 C TYR A 664 -12.462 -9.269 -1.366 1.00 22.43 C ATOM 1207 O TYR A 664 -13.680 -9.185 -1.549 1.00 30.13 O ATOM 1208 CB TYR A 664 -12.234 -9.878 1.048 1.00 35.21 C ATOM 1209 CG TYR A 664 -11.434 -11.173 1.070 1.00 54.00 C ATOM 1210 CD1 TYR A 664 -11.367 -12.019 -0.031 1.00 1.31 C ATOM 1211 CD2 TYR A 664 -10.730 -11.532 2.206 1.00 43.13 C ATOM 1212 CE1 TYR A 664 -10.629 -13.185 0.003 1.00 44.53 C ATOM 1213 CE2 TYR A 664 -9.989 -12.696 2.248 1.00 13.11 C ATOM 1214 CZ TYR A 664 -9.943 -13.519 1.144 1.00 22.52 C ATOM 1215 OH TYR A 664 -9.197 -14.684 1.186 1.00 12.23 O ATOM 0 H TYR A 664 -13.344 -7.554 0.461 1.00 64.11 H new ATOM 0 HA TYR A 664 -10.761 -8.858 -0.124 1.00 55.14 H new ATOM 0 HB2 TYR A 664 -12.127 -9.391 2.017 1.00 35.21 H new ATOM 0 HB3 TYR A 664 -13.289 -10.127 0.931 1.00 35.21 H new ATOM 0 HD1 TYR A 664 -11.903 -11.759 -0.931 1.00 1.31 H new ATOM 0 HD2 TYR A 664 -10.761 -10.891 3.074 1.00 43.13 H new ATOM 0 HE1 TYR A 664 -10.592 -13.830 -0.862 1.00 44.53 H new ATOM 0 HE2 TYR A 664 -9.447 -12.961 3.144 1.00 13.11 H new ATOM 0 HH TYR A 664 -8.774 -14.770 2.066 1.00 12.23 H new ATOM 1225 N TYR A 665 -11.627 -9.620 -2.274 1.00 43.04 N ATOM 1226 CA TYR A 665 -12.013 -10.146 -3.538 1.00 4.41 C ATOM 1227 C TYR A 665 -11.580 -11.555 -3.539 1.00 12.22 C ATOM 1228 O TYR A 665 -10.519 -11.836 -2.992 1.00 25.33 O ATOM 1229 CB TYR A 665 -11.317 -9.407 -4.650 1.00 41.33 C ATOM 1230 CG TYR A 665 -11.878 -8.049 -4.876 1.00 73.35 C ATOM 1231 CD1 TYR A 665 -11.546 -6.981 -4.066 1.00 62.41 C ATOM 1232 CD2 TYR A 665 -12.759 -7.842 -5.900 1.00 61.11 C ATOM 1233 CE1 TYR A 665 -12.076 -5.744 -4.287 1.00 31.35 C ATOM 1234 CE2 TYR A 665 -13.293 -6.620 -6.135 1.00 60.23 C ATOM 1235 CZ TYR A 665 -12.953 -5.563 -5.331 1.00 62.14 C ATOM 1236 OH TYR A 665 -13.489 -4.323 -5.570 1.00 62.44 O ATOM 0 H TYR A 665 -10.616 -9.547 -2.156 1.00 43.04 H new ATOM 0 HA TYR A 665 -13.087 -10.046 -3.694 1.00 4.41 H new ATOM 0 HB2 TYR A 665 -10.256 -9.323 -4.416 1.00 41.33 H new ATOM 0 HB3 TYR A 665 -11.396 -9.986 -5.570 1.00 41.33 H new ATOM 0 HD1 TYR A 665 -10.858 -7.127 -3.247 1.00 62.41 H new ATOM 0 HD2 TYR A 665 -13.035 -8.671 -6.535 1.00 61.11 H new ATOM 0 HE1 TYR A 665 -11.810 -4.915 -3.649 1.00 31.35 H new ATOM 0 HE2 TYR A 665 -13.984 -6.479 -6.953 1.00 60.23 H new ATOM 0 HH TYR A 665 -14.088 -4.369 -6.345 1.00 62.44 H new ATOM 1246 N ASP A 666 -12.368 -12.454 -4.088 1.00 52.23 N ATOM 1247 CA ASP A 666 -12.001 -13.873 -4.047 1.00 31.21 C ATOM 1248 C ASP A 666 -10.598 -14.054 -4.599 1.00 11.04 C ATOM 1249 O ASP A 666 -10.315 -13.694 -5.755 1.00 35.01 O ATOM 1250 CB ASP A 666 -12.974 -14.727 -4.841 1.00 1.11 C ATOM 1251 CG ASP A 666 -12.751 -16.205 -4.610 1.00 71.54 C ATOM 1252 OD1 ASP A 666 -11.866 -16.813 -5.250 1.00 41.45 O ATOM 1253 OD2 ASP A 666 -13.477 -16.781 -3.765 1.00 62.10 O ATOM 0 H ASP A 666 -13.248 -12.246 -4.560 1.00 52.23 H new ATOM 0 HA ASP A 666 -12.038 -14.198 -3.007 1.00 31.21 H new ATOM 0 HB2 ASP A 666 -13.995 -14.467 -4.563 1.00 1.11 H new ATOM 0 HB3 ASP A 666 -12.867 -14.506 -5.903 1.00 1.11 H new ATOM 1258 N GLY A 667 -9.730 -14.564 -3.765 1.00 1.02 N ATOM 1259 CA GLY A 667 -8.361 -14.724 -4.125 1.00 1.32 C ATOM 1260 C GLY A 667 -7.439 -13.928 -3.212 1.00 3.14 C ATOM 1261 O GLY A 667 -6.537 -14.499 -2.576 1.00 14.24 O ATOM 0 H GLY A 667 -9.959 -14.877 -2.822 1.00 1.02 H new ATOM 0 HA2 GLY A 667 -8.094 -15.780 -4.080 1.00 1.32 H new ATOM 0 HA3 GLY A 667 -8.217 -14.403 -5.157 1.00 1.32 H new ATOM 1265 N MET A 668 -7.684 -12.624 -3.086 1.00 71.21 N ATOM 1266 CA MET A 668 -6.795 -11.766 -2.310 1.00 24.14 C ATOM 1267 C MET A 668 -7.496 -10.517 -1.783 1.00 45.32 C ATOM 1268 O MET A 668 -8.544 -10.106 -2.287 1.00 42.44 O ATOM 1269 CB MET A 668 -5.531 -11.363 -3.103 1.00 62.22 C ATOM 1270 CG MET A 668 -5.751 -10.485 -4.345 1.00 73.32 C ATOM 1271 SD MET A 668 -6.706 -11.278 -5.657 1.00 34.13 S ATOM 1272 CE MET A 668 -6.684 -9.997 -6.908 1.00 24.34 C ATOM 0 H MET A 668 -8.481 -12.145 -3.506 1.00 71.21 H new ATOM 0 HA MET A 668 -6.488 -12.367 -1.454 1.00 24.14 H new ATOM 0 HB2 MET A 668 -4.858 -10.835 -2.427 1.00 62.22 H new ATOM 0 HB3 MET A 668 -5.020 -12.274 -3.415 1.00 62.22 H new ATOM 0 HG2 MET A 668 -6.261 -9.570 -4.043 1.00 73.32 H new ATOM 0 HG3 MET A 668 -4.780 -10.192 -4.745 1.00 73.32 H new ATOM 0 HE1 MET A 668 -7.558 -10.102 -7.551 1.00 24.34 H new ATOM 0 HE2 MET A 668 -6.702 -9.019 -6.427 1.00 24.34 H new ATOM 0 HE3 MET A 668 -5.779 -10.090 -7.508 1.00 24.34 H new ATOM 1282 N ILE A 669 -6.888 -9.903 -0.796 1.00 61.22 N ATOM 1283 CA ILE A 669 -7.444 -8.735 -0.149 1.00 4.05 C ATOM 1284 C ILE A 669 -7.017 -7.477 -0.921 1.00 32.01 C ATOM 1285 O ILE A 669 -5.886 -7.381 -1.387 1.00 64.22 O ATOM 1286 CB ILE A 669 -7.000 -8.598 1.373 1.00 10.54 C ATOM 1287 CG1 ILE A 669 -7.364 -9.843 2.237 1.00 63.53 C ATOM 1288 CG2 ILE A 669 -7.620 -7.358 2.008 1.00 12.15 C ATOM 1289 CD1 ILE A 669 -6.567 -11.107 1.947 1.00 13.44 C ATOM 0 H ILE A 669 -5.989 -10.200 -0.416 1.00 61.22 H new ATOM 0 HA ILE A 669 -8.528 -8.847 -0.157 1.00 4.05 H new ATOM 0 HB ILE A 669 -5.913 -8.513 1.356 1.00 10.54 H new ATOM 0 HG12 ILE A 669 -7.230 -9.585 3.287 1.00 63.53 H new ATOM 0 HG13 ILE A 669 -8.422 -10.063 2.096 1.00 63.53 H new ATOM 0 HG21 ILE A 669 -7.303 -7.285 3.048 1.00 12.15 H new ATOM 0 HG22 ILE A 669 -7.294 -6.470 1.466 1.00 12.15 H new ATOM 0 HG23 ILE A 669 -8.707 -7.432 1.964 1.00 12.15 H new ATOM 0 HD11 ILE A 669 -6.903 -11.908 2.605 1.00 13.44 H new ATOM 0 HD12 ILE A 669 -6.719 -11.403 0.909 1.00 13.44 H new ATOM 0 HD13 ILE A 669 -5.508 -10.917 2.119 1.00 13.44 H new ATOM 1296 N GLN A 670 -7.929 -6.554 -1.082 1.00 32.23 N ATOM 1297 CA GLN A 670 -7.685 -5.301 -1.762 1.00 1.22 C ATOM 1298 C GLN A 670 -8.237 -4.145 -0.935 1.00 54.25 C ATOM 1299 O GLN A 670 -9.292 -4.248 -0.345 1.00 73.32 O ATOM 1300 CB GLN A 670 -8.274 -5.327 -3.186 1.00 14.31 C ATOM 1301 CG GLN A 670 -7.460 -6.175 -4.172 1.00 51.34 C ATOM 1302 CD GLN A 670 -8.146 -6.404 -5.503 1.00 72.22 C ATOM 1303 OE1 GLN A 670 -8.020 -5.616 -6.430 1.00 4.14 O ATOM 1304 NE2 GLN A 670 -8.820 -7.501 -5.624 1.00 35.41 N ATOM 0 H GLN A 670 -8.884 -6.651 -0.738 1.00 32.23 H new ATOM 0 HA GLN A 670 -6.610 -5.154 -1.866 1.00 1.22 H new ATOM 0 HB2 GLN A 670 -9.292 -5.713 -3.142 1.00 14.31 H new ATOM 0 HB3 GLN A 670 -8.336 -4.306 -3.563 1.00 14.31 H new ATOM 0 HG2 GLN A 670 -6.501 -5.687 -4.349 1.00 51.34 H new ATOM 0 HG3 GLN A 670 -7.247 -7.141 -3.714 1.00 51.34 H new ATOM 0 HE21 GLN A 670 -8.906 -8.137 -4.831 1.00 35.41 H new ATOM 0 HE22 GLN A 670 -9.266 -7.730 -6.512 1.00 35.41 H new ATOM 1312 N LEU A 671 -7.526 -3.061 -0.884 1.00 51.23 N ATOM 1313 CA LEU A 671 -7.942 -1.940 -0.066 1.00 2.54 C ATOM 1314 C LEU A 671 -8.170 -0.754 -0.975 1.00 13.12 C ATOM 1315 O LEU A 671 -7.312 -0.420 -1.786 1.00 35.15 O ATOM 1316 CB LEU A 671 -6.832 -1.636 0.990 1.00 22.24 C ATOM 1317 CG LEU A 671 -7.153 -0.682 2.183 1.00 72.02 C ATOM 1318 CD1 LEU A 671 -5.959 -0.590 3.111 1.00 44.33 C ATOM 1319 CD2 LEU A 671 -7.553 0.709 1.747 1.00 33.44 C ATOM 0 H LEU A 671 -6.655 -2.919 -1.395 1.00 51.23 H new ATOM 0 HA LEU A 671 -8.865 -2.164 0.468 1.00 2.54 H new ATOM 0 HB2 LEU A 671 -6.510 -2.589 1.410 1.00 22.24 H new ATOM 0 HB3 LEU A 671 -5.978 -1.218 0.457 1.00 22.24 H new ATOM 0 HG LEU A 671 -8.009 -1.116 2.700 1.00 72.02 H new ATOM 0 HD11 LEU A 671 -6.193 0.078 3.940 1.00 44.33 H new ATOM 0 HD12 LEU A 671 -5.722 -1.581 3.499 1.00 44.33 H new ATOM 0 HD13 LEU A 671 -5.101 -0.201 2.563 1.00 44.33 H new ATOM 0 HD21 LEU A 671 -7.762 1.320 2.625 1.00 33.44 H new ATOM 0 HD22 LEU A 671 -6.740 1.159 1.177 1.00 33.44 H new ATOM 0 HD23 LEU A 671 -8.445 0.652 1.124 1.00 33.44 H new ATOM 1327 N THR A 672 -9.323 -0.150 -0.851 1.00 12.42 N ATOM 1328 CA THR A 672 -9.692 0.998 -1.633 1.00 2.13 C ATOM 1329 C THR A 672 -9.736 2.229 -0.736 1.00 23.15 C ATOM 1330 O THR A 672 -10.276 2.176 0.346 1.00 71.25 O ATOM 1331 CB THR A 672 -11.100 0.791 -2.225 1.00 41.22 C ATOM 1332 OG1 THR A 672 -11.125 -0.428 -2.973 1.00 2.20 O ATOM 1333 CG2 THR A 672 -11.492 1.952 -3.135 1.00 15.34 C ATOM 0 H THR A 672 -10.043 -0.448 -0.193 1.00 12.42 H new ATOM 0 HA THR A 672 -8.961 1.131 -2.431 1.00 2.13 H new ATOM 0 HB THR A 672 -11.815 0.743 -1.403 1.00 41.22 H new ATOM 0 HG1 THR A 672 -12.020 -0.563 -3.349 1.00 2.20 H new ATOM 0 HG21 THR A 672 -12.490 1.778 -3.538 1.00 15.34 H new ATOM 0 HG22 THR A 672 -11.488 2.880 -2.563 1.00 15.34 H new ATOM 0 HG23 THR A 672 -10.778 2.029 -3.955 1.00 15.34 H new ATOM 1339 N TYR A 673 -9.145 3.303 -1.163 1.00 3.12 N ATOM 1340 CA TYR A 673 -9.248 4.546 -0.430 1.00 23.24 C ATOM 1341 C TYR A 673 -10.304 5.463 -1.013 1.00 61.31 C ATOM 1342 O TYR A 673 -11.007 5.096 -1.962 1.00 31.25 O ATOM 1343 CB TYR A 673 -7.908 5.242 -0.284 1.00 20.32 C ATOM 1344 CG TYR A 673 -7.051 4.659 0.805 1.00 35.43 C ATOM 1345 CD1 TYR A 673 -7.317 4.979 2.114 1.00 53.44 C ATOM 1346 CD2 TYR A 673 -6.003 3.783 0.544 1.00 75.32 C ATOM 1347 CE1 TYR A 673 -6.590 4.467 3.139 1.00 12.24 C ATOM 1348 CE2 TYR A 673 -5.261 3.251 1.589 1.00 34.12 C ATOM 1349 CZ TYR A 673 -5.572 3.609 2.889 1.00 43.23 C ATOM 1350 OH TYR A 673 -4.884 3.083 3.940 1.00 12.21 O ATOM 0 H TYR A 673 -8.585 3.353 -2.014 1.00 3.12 H new ATOM 0 HA TYR A 673 -9.574 4.287 0.577 1.00 23.24 H new ATOM 0 HB2 TYR A 673 -7.371 5.183 -1.231 1.00 20.32 H new ATOM 0 HB3 TYR A 673 -8.076 6.299 -0.078 1.00 20.32 H new ATOM 0 HD1 TYR A 673 -8.128 5.658 2.334 1.00 53.44 H new ATOM 0 HD2 TYR A 673 -5.766 3.516 -0.475 1.00 75.32 H new ATOM 0 HE1 TYR A 673 -6.824 4.744 4.156 1.00 12.24 H new ATOM 0 HE2 TYR A 673 -4.450 2.566 1.390 1.00 34.12 H new ATOM 0 HH TYR A 673 -3.929 3.051 3.723 1.00 12.21 H new ATOM 1360 N ARG A 674 -10.438 6.640 -0.428 1.00 30.42 N ATOM 1361 CA ARG A 674 -11.447 7.596 -0.857 1.00 30.21 C ATOM 1362 C ARG A 674 -11.080 8.325 -2.136 1.00 3.32 C ATOM 1363 O ARG A 674 -9.996 8.158 -2.666 1.00 24.20 O ATOM 1364 CB ARG A 674 -11.759 8.598 0.242 1.00 53.22 C ATOM 1365 CG ARG A 674 -12.444 8.002 1.464 1.00 70.34 C ATOM 1366 CD ARG A 674 -13.764 7.356 1.062 1.00 21.24 C ATOM 1367 NE ARG A 674 -14.575 8.291 0.279 1.00 72.13 N ATOM 1368 CZ ARG A 674 -15.554 7.941 -0.553 1.00 70.13 C ATOM 1369 NH1 ARG A 674 -16.008 6.693 -0.578 1.00 64.14 N ATOM 1370 NH2 ARG A 674 -16.090 8.849 -1.350 1.00 12.23 N ATOM 0 H ARG A 674 -9.859 6.959 0.349 1.00 30.42 H new ATOM 0 HA ARG A 674 -12.339 7.007 -1.071 1.00 30.21 H new ATOM 0 HB2 ARG A 674 -10.830 9.073 0.557 1.00 53.22 H new ATOM 0 HB3 ARG A 674 -12.395 9.382 -0.169 1.00 53.22 H new ATOM 0 HG2 ARG A 674 -11.794 7.261 1.929 1.00 70.34 H new ATOM 0 HG3 ARG A 674 -12.622 8.780 2.206 1.00 70.34 H new ATOM 0 HD2 ARG A 674 -13.572 6.455 0.479 1.00 21.24 H new ATOM 0 HD3 ARG A 674 -14.311 7.048 1.953 1.00 21.24 H new ATOM 0 HE ARG A 674 -14.375 9.286 0.379 1.00 72.13 H new ATOM 0 HH11 ARG A 674 -15.606 5.992 0.044 1.00 64.14 H new ATOM 0 HH12 ARG A 674 -16.758 6.436 -1.219 1.00 64.14 H new ATOM 0 HH21 ARG A 674 -15.753 9.812 -1.326 1.00 12.23 H new ATOM 0 HH22 ARG A 674 -16.840 8.587 -1.990 1.00 12.23 H new ATOM 1382 N ASP A 675 -12.005 9.155 -2.582 1.00 2.01 N ATOM 1383 CA ASP A 675 -11.902 9.923 -3.824 1.00 22.02 C ATOM 1384 C ASP A 675 -10.789 10.988 -3.771 1.00 22.35 C ATOM 1385 O ASP A 675 -10.080 11.195 -4.744 1.00 11.13 O ATOM 1386 CB ASP A 675 -13.262 10.586 -4.089 1.00 43.53 C ATOM 1387 CG ASP A 675 -13.723 11.456 -2.936 1.00 51.52 C ATOM 1388 OD1 ASP A 675 -14.136 10.900 -1.890 1.00 53.42 O ATOM 1389 OD2 ASP A 675 -13.639 12.698 -3.033 1.00 20.12 O ATOM 0 H ASP A 675 -12.877 9.323 -2.080 1.00 2.01 H new ATOM 0 HA ASP A 675 -11.636 9.242 -4.633 1.00 22.02 H new ATOM 0 HB2 ASP A 675 -13.196 11.192 -4.993 1.00 43.53 H new ATOM 0 HB3 ASP A 675 -14.008 9.814 -4.277 1.00 43.53 H new ATOM 1394 N GLY A 676 -10.657 11.648 -2.636 1.00 1.04 N ATOM 1395 CA GLY A 676 -9.578 12.600 -2.424 1.00 23.11 C ATOM 1396 C GLY A 676 -9.487 13.720 -3.471 1.00 64.05 C ATOM 1397 O GLY A 676 -10.432 14.490 -3.652 1.00 32.31 O ATOM 0 H GLY A 676 -11.287 11.543 -1.841 1.00 1.04 H new ATOM 0 HA2 GLY A 676 -9.700 13.052 -1.440 1.00 23.11 H new ATOM 0 HA3 GLY A 676 -8.632 12.058 -2.410 1.00 23.11 H new ATOM 1401 N THR A 677 -8.357 13.803 -4.151 1.00 74.31 N ATOM 1402 CA THR A 677 -8.125 14.833 -5.129 1.00 20.30 C ATOM 1403 C THR A 677 -8.247 14.260 -6.551 1.00 34.21 C ATOM 1404 O THR A 677 -7.582 13.294 -6.877 1.00 35.43 O ATOM 1405 CB THR A 677 -6.719 15.460 -4.937 1.00 32.54 C ATOM 1406 OG1 THR A 677 -6.633 16.045 -3.620 1.00 71.52 O ATOM 1407 CG2 THR A 677 -6.444 16.537 -5.983 1.00 41.52 C ATOM 0 H THR A 677 -7.578 13.154 -4.035 1.00 74.31 H new ATOM 0 HA THR A 677 -8.879 15.608 -4.992 1.00 20.30 H new ATOM 0 HB THR A 677 -5.975 14.671 -5.052 1.00 32.54 H new ATOM 0 HG1 THR A 677 -5.745 16.440 -3.495 1.00 71.52 H new ATOM 0 HG21 THR A 677 -5.451 16.957 -5.821 1.00 41.52 H new ATOM 0 HG22 THR A 677 -6.494 16.098 -6.979 1.00 41.52 H new ATOM 0 HG23 THR A 677 -7.190 17.327 -5.897 1.00 41.52 H new ATOM 1413 N PRO A 678 -9.118 14.824 -7.396 1.00 51.33 N ATOM 1414 CA PRO A 678 -9.268 14.398 -8.769 1.00 73.15 C ATOM 1415 C PRO A 678 -8.207 15.010 -9.671 1.00 72.14 C ATOM 1416 O PRO A 678 -7.612 16.045 -9.342 1.00 20.22 O ATOM 1417 CB PRO A 678 -10.652 14.881 -9.142 1.00 31.01 C ATOM 1418 CG PRO A 678 -10.751 16.168 -8.425 1.00 43.23 C ATOM 1419 CD PRO A 678 -10.062 15.931 -7.090 1.00 43.52 C ATOM 0 HA PRO A 678 -9.148 13.321 -8.886 1.00 73.15 H new ATOM 0 HB2 PRO A 678 -10.760 15.008 -10.219 1.00 31.01 H new ATOM 0 HB3 PRO A 678 -11.424 14.180 -8.825 1.00 31.01 H new ATOM 0 HG2 PRO A 678 -10.265 16.969 -8.983 1.00 43.23 H new ATOM 0 HG3 PRO A 678 -11.791 16.463 -8.285 1.00 43.23 H new ATOM 0 HD2 PRO A 678 -9.540 16.822 -6.741 1.00 43.52 H new ATOM 0 HD3 PRO A 678 -10.773 15.652 -6.312 1.00 43.52 H new ATOM 1427 N TYR A 679 -7.948 14.348 -10.781 1.00 23.23 N ATOM 1428 CA TYR A 679 -6.923 14.761 -11.775 1.00 42.25 C ATOM 1429 C TYR A 679 -7.170 16.165 -12.389 1.00 33.50 C ATOM 1430 O TYR A 679 -6.423 16.574 -13.275 1.00 71.50 O ATOM 1431 CB TYR A 679 -6.832 13.756 -12.932 1.00 72.43 C ATOM 1432 CG TYR A 679 -6.503 12.336 -12.548 1.00 54.14 C ATOM 1433 CD1 TYR A 679 -5.242 11.988 -12.113 1.00 11.12 C ATOM 1434 CD2 TYR A 679 -7.458 11.347 -12.637 1.00 10.30 C ATOM 1435 CE1 TYR A 679 -4.946 10.680 -11.778 1.00 4.11 C ATOM 1436 CE2 TYR A 679 -7.183 10.040 -12.307 1.00 35.05 C ATOM 1437 CZ TYR A 679 -5.920 9.711 -11.876 1.00 53.44 C ATOM 1438 OH TYR A 679 -5.623 8.419 -11.540 1.00 3.21 O ATOM 0 H TYR A 679 -8.440 13.493 -11.041 1.00 23.23 H new ATOM 0 HA TYR A 679 -5.992 14.794 -11.209 1.00 42.25 H new ATOM 0 HB2 TYR A 679 -7.784 13.757 -13.464 1.00 72.43 H new ATOM 0 HB3 TYR A 679 -6.075 14.107 -13.633 1.00 72.43 H new ATOM 0 HD1 TYR A 679 -4.477 12.746 -12.033 1.00 11.12 H new ATOM 0 HD2 TYR A 679 -8.451 11.605 -12.975 1.00 10.30 H new ATOM 0 HE1 TYR A 679 -3.954 10.419 -11.440 1.00 4.11 H new ATOM 0 HE2 TYR A 679 -7.949 9.283 -12.386 1.00 35.05 H new ATOM 0 HH TYR A 679 -5.065 8.411 -10.735 1.00 3.21 H new ATOM 1533 N THR A 685 -12.285 13.081 -12.307 1.00 5.23 N ATOM 1534 CA THR A 685 -11.922 11.743 -11.945 1.00 43.14 C ATOM 1535 C THR A 685 -11.028 11.755 -10.707 1.00 32.43 C ATOM 1536 O THR A 685 -9.915 12.296 -10.747 1.00 52.45 O ATOM 1537 CB THR A 685 -11.179 11.067 -13.105 1.00 4.24 C ATOM 1538 OG1 THR A 685 -11.966 11.155 -14.309 1.00 1.55 O ATOM 1539 CG2 THR A 685 -10.924 9.622 -12.782 1.00 44.11 C ATOM 0 HA THR A 685 -12.832 11.185 -11.724 1.00 43.14 H new ATOM 0 HB THR A 685 -10.227 11.576 -13.255 1.00 4.24 H new ATOM 0 HG1 THR A 685 -12.483 11.988 -14.302 1.00 1.55 H new ATOM 0 HG21 THR A 685 -10.396 9.151 -13.612 1.00 44.11 H new ATOM 0 HG22 THR A 685 -10.317 9.553 -11.880 1.00 44.11 H new ATOM 0 HG23 THR A 685 -11.874 9.112 -12.620 1.00 44.11 H new ATOM 1545 N PRO A 686 -11.506 11.186 -9.595 1.00 64.35 N ATOM 1546 CA PRO A 686 -10.766 11.162 -8.338 1.00 72.23 C ATOM 1547 C PRO A 686 -9.585 10.201 -8.374 1.00 51.50 C ATOM 1548 O PRO A 686 -9.665 9.126 -8.986 1.00 3.32 O ATOM 1549 CB PRO A 686 -11.802 10.673 -7.325 1.00 73.35 C ATOM 1550 CG PRO A 686 -12.789 9.891 -8.114 1.00 11.41 C ATOM 1551 CD PRO A 686 -12.810 10.495 -9.484 1.00 42.25 C ATOM 0 HA PRO A 686 -10.339 12.137 -8.105 1.00 72.23 H new ATOM 0 HB2 PRO A 686 -11.338 10.057 -6.555 1.00 73.35 H new ATOM 0 HB3 PRO A 686 -12.280 11.511 -6.817 1.00 73.35 H new ATOM 0 HG2 PRO A 686 -12.505 8.839 -8.158 1.00 11.41 H new ATOM 0 HG3 PRO A 686 -13.776 9.936 -7.655 1.00 11.41 H new ATOM 0 HD2 PRO A 686 -12.923 9.732 -10.254 1.00 42.25 H new ATOM 0 HD3 PRO A 686 -13.641 11.191 -9.600 1.00 42.25 H new ATOM 1559 N ARG A 687 -8.489 10.595 -7.750 1.00 11.11 N ATOM 1560 CA ARG A 687 -7.358 9.716 -7.636 1.00 32.15 C ATOM 1561 C ARG A 687 -7.593 8.840 -6.432 1.00 11.31 C ATOM 1562 O ARG A 687 -7.768 9.345 -5.317 1.00 42.01 O ATOM 1563 CB ARG A 687 -6.042 10.474 -7.426 1.00 32.23 C ATOM 1564 CG ARG A 687 -5.669 11.486 -8.485 1.00 63.23 C ATOM 1565 CD ARG A 687 -4.281 12.032 -8.195 1.00 24.53 C ATOM 1566 NE ARG A 687 -3.887 13.146 -9.068 1.00 33.45 N ATOM 1567 CZ ARG A 687 -2.703 13.244 -9.697 1.00 3.01 C ATOM 1568 NH1 ARG A 687 -1.900 12.187 -9.799 1.00 45.43 N ATOM 1569 NH2 ARG A 687 -2.358 14.389 -10.283 1.00 4.15 N ATOM 0 H ARG A 687 -8.366 11.512 -7.320 1.00 11.11 H new ATOM 0 HA ARG A 687 -7.267 9.148 -8.562 1.00 32.15 H new ATOM 0 HB2 ARG A 687 -6.094 10.988 -6.466 1.00 32.23 H new ATOM 0 HB3 ARG A 687 -5.236 9.744 -7.353 1.00 32.23 H new ATOM 0 HG2 ARG A 687 -5.690 11.022 -9.471 1.00 63.23 H new ATOM 0 HG3 ARG A 687 -6.396 12.298 -8.499 1.00 63.23 H new ATOM 0 HD2 ARG A 687 -4.241 12.364 -7.158 1.00 24.53 H new ATOM 0 HD3 ARG A 687 -3.555 11.226 -8.300 1.00 24.53 H new ATOM 0 HE ARG A 687 -4.560 13.899 -9.207 1.00 33.45 H new ATOM 0 HH11 ARG A 687 -2.181 11.292 -9.398 1.00 45.43 H new ATOM 0 HH12 ARG A 687 -1.004 12.272 -10.278 1.00 45.43 H new ATOM 0 HH21 ARG A 687 -2.991 15.188 -10.254 1.00 4.15 H new ATOM 0 HH22 ARG A 687 -1.460 14.467 -10.761 1.00 4.15 H new ATOM 1581 N ALA A 688 -7.586 7.568 -6.633 1.00 32.24 N ATOM 1582 CA ALA A 688 -7.829 6.644 -5.562 1.00 70.52 C ATOM 1583 C ALA A 688 -6.728 5.627 -5.531 1.00 24.55 C ATOM 1584 O ALA A 688 -5.947 5.542 -6.461 1.00 51.31 O ATOM 1585 CB ALA A 688 -9.182 5.966 -5.742 1.00 34.33 C ATOM 0 H ALA A 688 -7.413 7.132 -7.539 1.00 32.24 H new ATOM 0 HA ALA A 688 -7.847 7.182 -4.614 1.00 70.52 H new ATOM 0 HB1 ALA A 688 -9.351 5.268 -4.922 1.00 34.33 H new ATOM 0 HB2 ALA A 688 -9.969 6.720 -5.745 1.00 34.33 H new ATOM 0 HB3 ALA A 688 -9.194 5.424 -6.688 1.00 34.33 H new ATOM 1591 N THR A 689 -6.640 4.886 -4.469 1.00 31.24 N ATOM 1592 CA THR A 689 -5.621 3.886 -4.340 1.00 44.42 C ATOM 1593 C THR A 689 -6.246 2.537 -4.055 1.00 20.21 C ATOM 1594 O THR A 689 -7.151 2.424 -3.201 1.00 22.32 O ATOM 1595 CB THR A 689 -4.642 4.258 -3.211 1.00 65.23 C ATOM 1596 OG1 THR A 689 -4.072 5.525 -3.493 1.00 74.22 O ATOM 1597 CG2 THR A 689 -3.528 3.232 -3.075 1.00 53.22 C ATOM 0 H THR A 689 -7.269 4.956 -3.669 1.00 31.24 H new ATOM 0 HA THR A 689 -5.070 3.832 -5.279 1.00 44.42 H new ATOM 0 HB THR A 689 -5.197 4.283 -2.273 1.00 65.23 H new ATOM 0 HG1 THR A 689 -4.715 6.230 -3.271 1.00 74.22 H new ATOM 0 HG21 THR A 689 -2.857 3.528 -2.269 1.00 53.22 H new ATOM 0 HG22 THR A 689 -3.958 2.256 -2.849 1.00 53.22 H new ATOM 0 HG23 THR A 689 -2.969 3.175 -4.009 1.00 53.22 H new ATOM 1603 N LEU A 690 -5.808 1.541 -4.784 1.00 21.40 N ATOM 1604 CA LEU A 690 -6.238 0.213 -4.588 1.00 4.34 C ATOM 1605 C LEU A 690 -4.986 -0.602 -4.295 1.00 11.43 C ATOM 1606 O LEU A 690 -4.104 -0.756 -5.143 1.00 22.53 O ATOM 1607 CB LEU A 690 -6.963 -0.291 -5.870 1.00 21.54 C ATOM 1608 CG LEU A 690 -7.733 -1.643 -5.820 1.00 25.21 C ATOM 1609 CD1 LEU A 690 -6.837 -2.820 -5.523 1.00 75.11 C ATOM 1610 CD2 LEU A 690 -8.868 -1.581 -4.825 1.00 65.22 C ATOM 0 H LEU A 690 -5.131 1.651 -5.539 1.00 21.40 H new ATOM 0 HA LEU A 690 -6.946 0.124 -3.764 1.00 4.34 H new ATOM 0 HB2 LEU A 690 -7.672 0.480 -6.172 1.00 21.54 H new ATOM 0 HB3 LEU A 690 -6.217 -0.366 -6.662 1.00 21.54 H new ATOM 0 HG LEU A 690 -8.142 -1.800 -6.818 1.00 25.21 H new ATOM 0 HD11 LEU A 690 -7.431 -3.733 -5.501 1.00 75.11 H new ATOM 0 HD12 LEU A 690 -6.075 -2.902 -6.298 1.00 75.11 H new ATOM 0 HD13 LEU A 690 -6.357 -2.677 -4.555 1.00 75.11 H new ATOM 0 HD21 LEU A 690 -9.390 -2.538 -4.809 1.00 65.22 H new ATOM 0 HD22 LEU A 690 -8.471 -1.368 -3.833 1.00 65.22 H new ATOM 0 HD23 LEU A 690 -9.563 -0.793 -5.115 1.00 65.22 H new ATOM 1618 N ILE A 691 -4.904 -1.111 -3.117 1.00 42.13 N ATOM 1619 CA ILE A 691 -3.768 -1.896 -2.735 1.00 23.32 C ATOM 1620 C ILE A 691 -4.170 -3.344 -2.780 1.00 11.21 C ATOM 1621 O ILE A 691 -5.148 -3.734 -2.163 1.00 44.23 O ATOM 1622 CB ILE A 691 -3.274 -1.525 -1.319 1.00 61.13 C ATOM 1623 CG1 ILE A 691 -2.999 -0.017 -1.251 1.00 21.05 C ATOM 1624 CG2 ILE A 691 -1.991 -2.300 -0.996 1.00 51.24 C ATOM 1625 CD1 ILE A 691 -2.669 0.496 0.139 1.00 20.22 C ATOM 0 H ILE A 691 -5.612 -1.001 -2.391 1.00 42.13 H new ATOM 0 HA ILE A 691 -2.946 -1.702 -3.424 1.00 23.32 H new ATOM 0 HB ILE A 691 -4.041 -1.786 -0.590 1.00 61.13 H new ATOM 0 HG12 ILE A 691 -2.171 0.220 -1.919 1.00 21.05 H new ATOM 0 HG13 ILE A 691 -3.873 0.517 -1.625 1.00 21.05 H new ATOM 0 HG21 ILE A 691 -1.647 -2.034 0.004 1.00 51.24 H new ATOM 0 HG22 ILE A 691 -2.192 -3.370 -1.038 1.00 51.24 H new ATOM 0 HG23 ILE A 691 -1.220 -2.047 -1.724 1.00 51.24 H new ATOM 0 HD11 ILE A 691 -2.489 1.570 0.097 1.00 20.22 H new ATOM 0 HD12 ILE A 691 -3.505 0.294 0.809 1.00 20.22 H new ATOM 0 HD13 ILE A 691 -1.776 -0.007 0.510 1.00 20.22 H new ATOM 1632 N THR A 692 -3.461 -4.112 -3.538 1.00 63.42 N ATOM 1633 CA THR A 692 -3.749 -5.501 -3.710 1.00 10.34 C ATOM 1634 C THR A 692 -2.739 -6.312 -2.902 1.00 43.00 C ATOM 1635 O THR A 692 -1.537 -6.219 -3.135 1.00 44.01 O ATOM 1636 CB THR A 692 -3.604 -5.844 -5.184 1.00 4.05 C ATOM 1637 OG1 THR A 692 -4.345 -4.875 -5.953 1.00 2.03 O ATOM 1638 CG2 THR A 692 -4.141 -7.225 -5.495 1.00 25.21 C ATOM 0 H THR A 692 -2.650 -3.788 -4.066 1.00 63.42 H new ATOM 0 HA THR A 692 -4.760 -5.728 -3.372 1.00 10.34 H new ATOM 0 HB THR A 692 -2.544 -5.828 -5.438 1.00 4.05 H new ATOM 0 HG1 THR A 692 -4.260 -5.081 -6.907 1.00 2.03 H new ATOM 0 HG21 THR A 692 -4.019 -7.432 -6.558 1.00 25.21 H new ATOM 0 HG22 THR A 692 -3.593 -7.968 -4.915 1.00 25.21 H new ATOM 0 HG23 THR A 692 -5.199 -7.271 -5.236 1.00 25.21 H new ATOM 1644 N PHE A 693 -3.223 -7.067 -1.971 1.00 71.10 N ATOM 1645 CA PHE A 693 -2.382 -7.841 -1.100 1.00 42.42 C ATOM 1646 C PHE A 693 -2.329 -9.264 -1.568 1.00 41.15 C ATOM 1647 O PHE A 693 -3.351 -9.896 -1.744 1.00 42.42 O ATOM 1648 CB PHE A 693 -2.931 -7.801 0.314 1.00 55.14 C ATOM 1649 CG PHE A 693 -2.997 -6.418 0.921 1.00 44.12 C ATOM 1650 CD1 PHE A 693 -3.983 -5.527 0.542 1.00 3.24 C ATOM 1651 CD2 PHE A 693 -2.083 -6.022 1.877 1.00 31.44 C ATOM 1652 CE1 PHE A 693 -4.053 -4.277 1.101 1.00 2.12 C ATOM 1653 CE2 PHE A 693 -2.152 -4.774 2.445 1.00 63.14 C ATOM 1654 CZ PHE A 693 -3.139 -3.904 2.056 1.00 13.14 C ATOM 0 H PHE A 693 -4.221 -7.169 -1.787 1.00 71.10 H new ATOM 0 HA PHE A 693 -1.378 -7.418 -1.115 1.00 42.42 H new ATOM 0 HB2 PHE A 693 -3.932 -8.232 0.314 1.00 55.14 H new ATOM 0 HB3 PHE A 693 -2.311 -8.434 0.949 1.00 55.14 H new ATOM 0 HD1 PHE A 693 -4.707 -5.819 -0.204 1.00 3.24 H new ATOM 0 HD2 PHE A 693 -1.303 -6.704 2.182 1.00 31.44 H new ATOM 0 HE1 PHE A 693 -4.825 -3.588 0.791 1.00 2.12 H new ATOM 0 HE2 PHE A 693 -1.433 -4.478 3.194 1.00 63.14 H new ATOM 0 HZ PHE A 693 -3.197 -2.922 2.502 1.00 13.14 H new ATOM 1664 N LEU A 694 -1.154 -9.759 -1.745 1.00 25.14 N ATOM 1665 CA LEU A 694 -0.947 -11.102 -2.182 1.00 41.23 C ATOM 1666 C LEU A 694 -0.305 -11.876 -1.075 1.00 3.14 C ATOM 1667 O LEU A 694 0.454 -11.322 -0.261 1.00 74.04 O ATOM 1668 CB LEU A 694 -0.034 -11.178 -3.432 1.00 34.10 C ATOM 1669 CG LEU A 694 -0.524 -10.547 -4.752 1.00 32.54 C ATOM 1670 CD1 LEU A 694 -1.877 -11.100 -5.173 1.00 40.53 C ATOM 1671 CD2 LEU A 694 -0.525 -9.025 -4.711 1.00 35.53 C ATOM 0 H LEU A 694 -0.293 -9.236 -1.588 1.00 25.14 H new ATOM 0 HA LEU A 694 -1.918 -11.518 -2.449 1.00 41.23 H new ATOM 0 HB2 LEU A 694 0.916 -10.709 -3.175 1.00 34.10 H new ATOM 0 HB3 LEU A 694 0.172 -12.231 -3.626 1.00 34.10 H new ATOM 0 HG LEU A 694 0.198 -10.834 -5.516 1.00 32.54 H new ATOM 0 HD11 LEU A 694 -2.187 -10.631 -6.107 1.00 40.53 H new ATOM 0 HD12 LEU A 694 -1.801 -12.178 -5.316 1.00 40.53 H new ATOM 0 HD13 LEU A 694 -2.614 -10.888 -4.398 1.00 40.53 H new ATOM 0 HD21 LEU A 694 -0.879 -8.636 -5.666 1.00 35.53 H new ATOM 0 HD22 LEU A 694 -1.184 -8.683 -3.913 1.00 35.53 H new ATOM 0 HD23 LEU A 694 0.487 -8.665 -4.525 1.00 35.53 H new ATOM 1679 N CYS A 695 -0.603 -13.126 -1.038 1.00 43.12 N ATOM 1680 CA CYS A 695 -0.081 -14.015 -0.051 1.00 15.41 C ATOM 1681 C CYS A 695 1.273 -14.527 -0.483 1.00 2.00 C ATOM 1682 O CYS A 695 1.430 -15.020 -1.609 1.00 44.44 O ATOM 1683 CB CYS A 695 -1.056 -15.187 0.159 1.00 53.33 C ATOM 1684 SG CYS A 695 -0.446 -16.542 1.218 1.00 74.25 S ATOM 0 H CYS A 695 -1.230 -13.573 -1.706 1.00 43.12 H new ATOM 0 HA CYS A 695 0.034 -13.480 0.892 1.00 15.41 H new ATOM 0 HB2 CYS A 695 -1.976 -14.797 0.594 1.00 53.33 H new ATOM 0 HB3 CYS A 695 -1.314 -15.600 -0.816 1.00 53.33 H new ATOM 1745 N GLY A 700 7.335 -10.576 5.769 1.00 43.53 N ATOM 1746 CA GLY A 700 6.880 -10.200 7.048 1.00 40.13 C ATOM 1747 C GLY A 700 5.747 -9.268 6.844 1.00 40.24 C ATOM 1748 O GLY A 700 4.610 -9.702 6.634 1.00 21.33 O ATOM 0 HA2 GLY A 700 6.564 -11.074 7.618 1.00 40.13 H new ATOM 0 HA3 GLY A 700 7.677 -9.721 7.616 1.00 40.13 H new ATOM 1752 N VAL A 701 6.041 -7.993 6.826 1.00 1.41 N ATOM 1753 CA VAL A 701 5.062 -7.027 6.543 1.00 41.41 C ATOM 1754 C VAL A 701 4.787 -6.954 5.042 1.00 13.24 C ATOM 1755 O VAL A 701 3.637 -6.960 4.613 1.00 31.44 O ATOM 1756 CB VAL A 701 5.436 -5.635 7.107 1.00 72.25 C ATOM 1757 CG1 VAL A 701 5.367 -5.632 8.619 1.00 74.11 C ATOM 1758 CG2 VAL A 701 6.822 -5.180 6.648 1.00 2.33 C ATOM 0 H VAL A 701 6.971 -7.616 7.010 1.00 1.41 H new ATOM 0 HA VAL A 701 4.147 -7.340 7.045 1.00 41.41 H new ATOM 0 HB VAL A 701 4.706 -4.928 6.713 1.00 72.25 H new ATOM 0 HG11 VAL A 701 5.634 -4.644 8.993 1.00 74.11 H new ATOM 0 HG12 VAL A 701 4.354 -5.880 8.938 1.00 74.11 H new ATOM 0 HG13 VAL A 701 6.063 -6.371 9.016 1.00 74.11 H new ATOM 0 HG21 VAL A 701 7.041 -4.198 7.069 1.00 2.33 H new ATOM 0 HG22 VAL A 701 7.571 -5.895 6.988 1.00 2.33 H new ATOM 0 HG23 VAL A 701 6.844 -5.121 5.560 1.00 2.33 H new ATOM 1764 N GLY A 702 5.831 -6.955 4.254 1.00 44.41 N ATOM 1765 CA GLY A 702 5.681 -6.846 2.856 1.00 32.52 C ATOM 1766 C GLY A 702 5.844 -5.428 2.405 1.00 21.01 C ATOM 1767 O GLY A 702 5.485 -4.492 3.115 1.00 25.22 O ATOM 0 H GLY A 702 6.796 -7.032 4.576 1.00 44.41 H new ATOM 0 HA2 GLY A 702 6.418 -7.476 2.358 1.00 32.52 H new ATOM 0 HA3 GLY A 702 4.697 -7.213 2.563 1.00 32.52 H new ATOM 1771 N PHE A 703 6.413 -5.269 1.272 1.00 12.23 N ATOM 1772 CA PHE A 703 6.593 -3.972 0.680 1.00 14.33 C ATOM 1773 C PHE A 703 5.707 -3.824 -0.541 1.00 60.14 C ATOM 1774 O PHE A 703 5.640 -4.732 -1.380 1.00 41.15 O ATOM 1775 CB PHE A 703 8.060 -3.727 0.302 1.00 34.02 C ATOM 1776 CG PHE A 703 8.993 -3.708 1.473 1.00 50.11 C ATOM 1777 CD1 PHE A 703 9.121 -2.572 2.247 1.00 13.33 C ATOM 1778 CD2 PHE A 703 9.745 -4.822 1.801 1.00 62.23 C ATOM 1779 CE1 PHE A 703 9.975 -2.545 3.324 1.00 34.24 C ATOM 1780 CE2 PHE A 703 10.602 -4.801 2.880 1.00 40.00 C ATOM 1781 CZ PHE A 703 10.716 -3.659 3.641 1.00 52.24 C ATOM 0 H PHE A 703 6.777 -6.038 0.710 1.00 12.23 H new ATOM 0 HA PHE A 703 6.308 -3.225 1.421 1.00 14.33 H new ATOM 0 HB2 PHE A 703 8.380 -4.503 -0.393 1.00 34.02 H new ATOM 0 HB3 PHE A 703 8.135 -2.776 -0.226 1.00 34.02 H new ATOM 0 HD1 PHE A 703 8.543 -1.693 2.003 1.00 13.33 H new ATOM 0 HD2 PHE A 703 9.659 -5.718 1.205 1.00 62.23 H new ATOM 0 HE1 PHE A 703 10.064 -1.649 3.921 1.00 34.24 H new ATOM 0 HE2 PHE A 703 11.182 -5.677 3.128 1.00 40.00 H new ATOM 0 HZ PHE A 703 11.387 -3.638 4.487 1.00 52.24 H new ATOM 1791 N PRO A 704 4.991 -2.703 -0.647 1.00 35.42 N ATOM 1792 CA PRO A 704 4.140 -2.429 -1.793 1.00 64.42 C ATOM 1793 C PRO A 704 4.953 -1.995 -3.005 1.00 63.03 C ATOM 1794 O PRO A 704 6.018 -1.379 -2.871 1.00 22.41 O ATOM 1795 CB PRO A 704 3.269 -1.270 -1.316 1.00 53.04 C ATOM 1796 CG PRO A 704 4.113 -0.557 -0.320 1.00 43.41 C ATOM 1797 CD PRO A 704 4.943 -1.616 0.352 1.00 32.20 C ATOM 0 HA PRO A 704 3.576 -3.308 -2.106 1.00 64.42 H new ATOM 0 HB2 PRO A 704 2.991 -0.616 -2.142 1.00 53.04 H new ATOM 0 HB3 PRO A 704 2.342 -1.628 -0.868 1.00 53.04 H new ATOM 0 HG2 PRO A 704 4.746 0.186 -0.805 1.00 43.41 H new ATOM 0 HG3 PRO A 704 3.497 -0.026 0.405 1.00 43.41 H new ATOM 0 HD2 PRO A 704 5.941 -1.250 0.595 1.00 32.20 H new ATOM 0 HD3 PRO A 704 4.490 -1.949 1.286 1.00 32.20 H new ATOM 1805 N GLU A 705 4.469 -2.321 -4.157 1.00 15.12 N ATOM 1806 CA GLU A 705 5.096 -1.946 -5.385 1.00 24.33 C ATOM 1807 C GLU A 705 4.059 -1.266 -6.262 1.00 2.03 C ATOM 1808 O GLU A 705 2.874 -1.622 -6.206 1.00 14.12 O ATOM 1809 CB GLU A 705 5.646 -3.198 -6.075 1.00 44.52 C ATOM 1810 CG GLU A 705 6.403 -2.921 -7.354 1.00 15.43 C ATOM 1811 CD GLU A 705 7.602 -2.034 -7.127 1.00 14.41 C ATOM 1812 OE1 GLU A 705 7.470 -0.798 -7.199 1.00 3.24 O ATOM 1813 OE2 GLU A 705 8.695 -2.567 -6.863 1.00 1.22 O ATOM 0 H GLU A 705 3.614 -2.864 -4.276 1.00 15.12 H new ATOM 0 HA GLU A 705 5.923 -1.260 -5.202 1.00 24.33 H new ATOM 0 HB2 GLU A 705 6.305 -3.721 -5.382 1.00 44.52 H new ATOM 0 HB3 GLU A 705 4.817 -3.871 -6.295 1.00 44.52 H new ATOM 0 HG2 GLU A 705 6.729 -3.864 -7.793 1.00 15.43 H new ATOM 0 HG3 GLU A 705 5.735 -2.449 -8.074 1.00 15.43 H new ATOM 1820 N TYR A 706 4.470 -0.293 -7.040 1.00 24.33 N ATOM 1821 CA TYR A 706 3.543 0.394 -7.902 1.00 12.11 C ATOM 1822 C TYR A 706 3.451 -0.298 -9.231 1.00 43.35 C ATOM 1823 O TYR A 706 4.428 -0.373 -9.981 1.00 55.35 O ATOM 1824 CB TYR A 706 3.880 1.886 -8.075 1.00 53.14 C ATOM 1825 CG TYR A 706 2.941 2.599 -9.034 1.00 12.32 C ATOM 1826 CD1 TYR A 706 1.607 2.801 -8.710 1.00 1.34 C ATOM 1827 CD2 TYR A 706 3.390 3.060 -10.261 1.00 3.31 C ATOM 1828 CE1 TYR A 706 0.754 3.434 -9.573 1.00 51.24 C ATOM 1829 CE2 TYR A 706 2.541 3.699 -11.131 1.00 52.55 C ATOM 1830 CZ TYR A 706 1.229 3.886 -10.787 1.00 43.54 C ATOM 1831 OH TYR A 706 0.385 4.508 -11.664 1.00 74.11 O ATOM 0 H TYR A 706 5.433 0.038 -7.093 1.00 24.33 H new ATOM 0 HA TYR A 706 2.568 0.356 -7.416 1.00 12.11 H new ATOM 0 HB2 TYR A 706 3.839 2.377 -7.103 1.00 53.14 H new ATOM 0 HB3 TYR A 706 4.903 1.982 -8.438 1.00 53.14 H new ATOM 0 HD1 TYR A 706 1.235 2.452 -7.758 1.00 1.34 H new ATOM 0 HD2 TYR A 706 4.424 2.915 -10.538 1.00 3.31 H new ATOM 0 HE1 TYR A 706 -0.282 3.579 -9.306 1.00 51.24 H new ATOM 0 HE2 TYR A 706 2.907 4.053 -12.083 1.00 52.55 H new ATOM 0 HH TYR A 706 0.134 5.387 -11.310 1.00 74.11 H new ATOM 1841 N GLN A 707 2.296 -0.825 -9.516 1.00 21.44 N ATOM 1842 CA GLN A 707 2.065 -1.508 -10.747 1.00 22.51 C ATOM 1843 C GLN A 707 1.534 -0.602 -11.809 1.00 32.51 C ATOM 1844 O GLN A 707 2.247 -0.288 -12.768 1.00 21.44 O ATOM 1845 CB GLN A 707 1.181 -2.728 -10.525 1.00 43.43 C ATOM 1846 CG GLN A 707 1.954 -4.028 -10.317 1.00 32.45 C ATOM 1847 CD GLN A 707 3.280 -3.854 -9.593 1.00 71.20 C ATOM 1848 OE1 GLN A 707 3.356 -3.896 -8.385 1.00 20.54 O ATOM 1849 NE2 GLN A 707 4.334 -3.698 -10.344 1.00 11.11 N ATOM 0 H GLN A 707 1.487 -0.791 -8.896 1.00 21.44 H new ATOM 0 HA GLN A 707 3.027 -1.861 -11.117 1.00 22.51 H new ATOM 0 HB2 GLN A 707 0.548 -2.551 -9.656 1.00 43.43 H new ATOM 0 HB3 GLN A 707 0.519 -2.845 -11.383 1.00 43.43 H new ATOM 0 HG2 GLN A 707 1.332 -4.721 -9.751 1.00 32.45 H new ATOM 0 HG3 GLN A 707 2.140 -4.487 -11.288 1.00 32.45 H new ATOM 0 HE21 GLN A 707 4.237 -3.667 -11.359 1.00 11.11 H new ATOM 0 HE22 GLN A 707 5.256 -3.607 -9.917 1.00 11.11 H new ATOM 1857 N GLU A 708 0.318 -0.139 -11.652 1.00 3.52 N ATOM 1858 CA GLU A 708 -0.282 0.658 -12.682 1.00 24.44 C ATOM 1859 C GLU A 708 -1.539 1.347 -12.223 1.00 12.34 C ATOM 1860 O GLU A 708 -2.383 0.754 -11.548 1.00 75.31 O ATOM 1861 CB GLU A 708 -0.602 -0.235 -13.903 1.00 31.43 C ATOM 1862 CG GLU A 708 -1.477 -1.447 -13.561 1.00 72.25 C ATOM 1863 CD GLU A 708 -1.709 -2.366 -14.723 1.00 32.12 C ATOM 1864 OE1 GLU A 708 -0.811 -3.155 -15.040 1.00 12.21 O ATOM 1865 OE2 GLU A 708 -2.807 -2.349 -15.304 1.00 62.30 O ATOM 0 H GLU A 708 -0.265 -0.300 -10.831 1.00 3.52 H new ATOM 0 HA GLU A 708 0.435 1.434 -12.950 1.00 24.44 H new ATOM 0 HB2 GLU A 708 -1.106 0.365 -14.660 1.00 31.43 H new ATOM 0 HB3 GLU A 708 0.332 -0.584 -14.343 1.00 31.43 H new ATOM 0 HG2 GLU A 708 -1.007 -2.008 -12.753 1.00 72.25 H new ATOM 0 HG3 GLU A 708 -2.439 -1.096 -13.188 1.00 72.25 H new ATOM 1872 N GLU A 709 -1.617 2.613 -12.497 1.00 63.11 N ATOM 1873 CA GLU A 709 -2.879 3.287 -12.446 1.00 1.12 C ATOM 1874 C GLU A 709 -3.464 3.007 -13.825 1.00 11.22 C ATOM 1875 O GLU A 709 -2.731 3.050 -14.824 1.00 51.13 O ATOM 1876 CB GLU A 709 -2.683 4.796 -12.222 1.00 20.11 C ATOM 1877 CG GLU A 709 -3.934 5.592 -11.789 1.00 61.30 C ATOM 1878 CD GLU A 709 -5.091 5.550 -12.752 1.00 32.43 C ATOM 1879 OE1 GLU A 709 -5.151 6.391 -13.672 1.00 21.34 O ATOM 1880 OE2 GLU A 709 -5.957 4.673 -12.605 1.00 31.10 O ATOM 0 H GLU A 709 -0.824 3.200 -12.758 1.00 63.11 H new ATOM 0 HA GLU A 709 -3.520 2.952 -11.631 1.00 1.12 H new ATOM 0 HB2 GLU A 709 -1.912 4.932 -11.464 1.00 20.11 H new ATOM 0 HB3 GLU A 709 -2.303 5.232 -13.146 1.00 20.11 H new ATOM 0 HG2 GLU A 709 -4.271 5.210 -10.825 1.00 61.30 H new ATOM 0 HG3 GLU A 709 -3.647 6.633 -11.637 1.00 61.30 H new ATOM 1887 N ASP A 710 -4.713 2.733 -13.897 1.00 10.53 N ATOM 1888 CA ASP A 710 -5.327 2.298 -15.141 1.00 22.13 C ATOM 1889 C ASP A 710 -6.823 2.477 -15.061 1.00 24.52 C ATOM 1890 O ASP A 710 -7.498 2.800 -16.041 1.00 62.11 O ATOM 1891 CB ASP A 710 -5.006 0.810 -15.360 1.00 2.13 C ATOM 1892 CG ASP A 710 -5.533 0.261 -16.660 1.00 63.14 C ATOM 1893 OD1 ASP A 710 -6.693 -0.207 -16.702 1.00 14.40 O ATOM 1894 OD2 ASP A 710 -4.785 0.262 -17.656 1.00 4.42 O ATOM 0 H ASP A 710 -5.357 2.797 -13.109 1.00 10.53 H new ATOM 0 HA ASP A 710 -4.938 2.891 -15.968 1.00 22.13 H new ATOM 0 HB2 ASP A 710 -3.925 0.672 -15.329 1.00 2.13 H new ATOM 0 HB3 ASP A 710 -5.424 0.232 -14.536 1.00 2.13 H new ATOM 1899 N ASN A 711 -7.321 2.293 -13.876 1.00 63.03 N ATOM 1900 CA ASN A 711 -8.739 2.268 -13.618 1.00 74.20 C ATOM 1901 C ASN A 711 -9.294 3.667 -13.343 1.00 51.02 C ATOM 1902 O ASN A 711 -10.271 4.082 -13.956 1.00 42.14 O ATOM 1903 CB ASN A 711 -9.010 1.379 -12.392 1.00 44.32 C ATOM 1904 CG ASN A 711 -8.402 -0.018 -12.494 1.00 21.10 C ATOM 1905 OD1 ASN A 711 -9.013 -0.933 -13.052 1.00 23.15 O ATOM 1906 ND2 ASN A 711 -7.212 -0.206 -11.921 1.00 34.21 N ATOM 0 H ASN A 711 -6.748 2.153 -13.044 1.00 63.03 H new ATOM 0 HA ASN A 711 -9.234 1.874 -14.506 1.00 74.20 H new ATOM 0 HB2 ASN A 711 -8.616 1.872 -11.504 1.00 44.32 H new ATOM 0 HB3 ASN A 711 -10.087 1.287 -12.254 1.00 44.32 H new ATOM 0 HD21 ASN A 711 -6.779 -1.129 -11.936 1.00 34.21 H new ATOM 0 HD22 ASN A 711 -6.735 0.574 -11.468 1.00 34.21 H new ATOM 1912 N SER A 712 -8.601 4.375 -12.462 1.00 22.13 N ATOM 1913 CA SER A 712 -8.980 5.654 -11.846 1.00 12.22 C ATOM 1914 C SER A 712 -8.278 5.627 -10.509 1.00 22.02 C ATOM 1915 O SER A 712 -7.982 6.644 -9.897 1.00 60.21 O ATOM 1916 CB SER A 712 -10.500 5.745 -11.577 1.00 40.21 C ATOM 1917 OG SER A 712 -10.863 6.995 -10.990 1.00 5.34 O ATOM 0 H SER A 712 -7.692 4.053 -12.130 1.00 22.13 H new ATOM 0 HA SER A 712 -8.717 6.492 -12.492 1.00 12.22 H new ATOM 0 HB2 SER A 712 -11.043 5.612 -12.513 1.00 40.21 H new ATOM 0 HB3 SER A 712 -10.801 4.932 -10.916 1.00 40.21 H new ATOM 0 HG SER A 712 -11.831 7.016 -10.836 1.00 5.34 H new ATOM 1923 N THR A 713 -8.037 4.415 -10.078 1.00 54.53 N ATOM 1924 CA THR A 713 -7.393 4.131 -8.865 1.00 33.23 C ATOM 1925 C THR A 713 -6.014 3.516 -9.168 1.00 30.12 C ATOM 1926 O THR A 713 -5.840 2.797 -10.182 1.00 43.22 O ATOM 1927 CB THR A 713 -8.280 3.166 -8.008 1.00 23.04 C ATOM 1928 OG1 THR A 713 -7.717 2.923 -6.736 1.00 51.34 O ATOM 1929 CG2 THR A 713 -8.521 1.840 -8.706 1.00 21.32 C ATOM 0 H THR A 713 -8.303 3.580 -10.600 1.00 54.53 H new ATOM 0 HA THR A 713 -7.247 5.044 -8.287 1.00 33.23 H new ATOM 0 HB THR A 713 -9.236 3.675 -7.882 1.00 23.04 H new ATOM 0 HG1 THR A 713 -8.413 2.600 -6.126 1.00 51.34 H new ATOM 0 HG21 THR A 713 -9.141 1.204 -8.074 1.00 21.32 H new ATOM 0 HG22 THR A 713 -9.029 2.015 -9.654 1.00 21.32 H new ATOM 0 HG23 THR A 713 -7.566 1.348 -8.892 1.00 21.32 H new ATOM 1935 N TYR A 714 -5.061 3.831 -8.337 1.00 64.45 N ATOM 1936 CA TYR A 714 -3.705 3.366 -8.467 1.00 3.32 C ATOM 1937 C TYR A 714 -3.586 2.018 -7.810 1.00 65.21 C ATOM 1938 O TYR A 714 -3.923 1.870 -6.646 1.00 73.14 O ATOM 1939 CB TYR A 714 -2.737 4.354 -7.778 1.00 72.44 C ATOM 1940 CG TYR A 714 -2.690 5.748 -8.390 1.00 10.43 C ATOM 1941 CD1 TYR A 714 -3.760 6.622 -8.276 1.00 64.52 C ATOM 1942 CD2 TYR A 714 -1.564 6.189 -9.070 1.00 15.11 C ATOM 1943 CE1 TYR A 714 -3.714 7.880 -8.817 1.00 34.43 C ATOM 1944 CE2 TYR A 714 -1.514 7.452 -9.617 1.00 44.05 C ATOM 1945 CZ TYR A 714 -2.594 8.291 -9.486 1.00 3.22 C ATOM 1946 OH TYR A 714 -2.546 9.548 -10.019 1.00 12.01 O ATOM 0 H TYR A 714 -5.208 4.435 -7.528 1.00 64.45 H new ATOM 0 HA TYR A 714 -3.448 3.294 -9.524 1.00 3.32 H new ATOM 0 HB2 TYR A 714 -3.021 4.444 -6.729 1.00 72.44 H new ATOM 0 HB3 TYR A 714 -1.733 3.930 -7.801 1.00 72.44 H new ATOM 0 HD1 TYR A 714 -4.648 6.305 -7.750 1.00 64.52 H new ATOM 0 HD2 TYR A 714 -0.713 5.532 -9.172 1.00 15.11 H new ATOM 0 HE1 TYR A 714 -4.559 8.545 -8.716 1.00 34.43 H new ATOM 0 HE2 TYR A 714 -0.631 7.781 -10.146 1.00 44.05 H new ATOM 0 HH TYR A 714 -1.681 9.683 -10.460 1.00 12.01 H new ATOM 1956 N ASN A 715 -3.099 1.048 -8.529 1.00 14.54 N ATOM 1957 CA ASN A 715 -2.949 -0.284 -7.972 1.00 43.32 C ATOM 1958 C ASN A 715 -1.545 -0.564 -7.537 1.00 11.13 C ATOM 1959 O ASN A 715 -0.569 -0.393 -8.301 1.00 22.02 O ATOM 1960 CB ASN A 715 -3.364 -1.344 -8.973 1.00 22.41 C ATOM 1961 CG ASN A 715 -4.853 -1.545 -9.084 1.00 45.10 C ATOM 1962 OD1 ASN A 715 -5.527 -0.863 -9.838 1.00 42.52 O ATOM 1963 ND2 ASN A 715 -5.369 -2.523 -8.360 1.00 3.50 N ATOM 0 H ASN A 715 -2.798 1.144 -9.499 1.00 14.54 H new ATOM 0 HA ASN A 715 -3.600 -0.320 -7.098 1.00 43.32 H new ATOM 0 HB2 ASN A 715 -2.972 -1.074 -9.954 1.00 22.41 H new ATOM 0 HB3 ASN A 715 -2.901 -2.291 -8.694 1.00 22.41 H new ATOM 0 HD21 ASN A 715 -6.366 -2.731 -8.420 1.00 3.50 H new ATOM 0 HD22 ASN A 715 -4.770 -3.070 -7.741 1.00 3.50 H new ATOM 1969 N PHE A 716 -1.447 -0.991 -6.308 1.00 2.14 N ATOM 1970 CA PHE A 716 -0.208 -1.388 -5.716 1.00 3.42 C ATOM 1971 C PHE A 716 -0.246 -2.855 -5.405 1.00 5.22 C ATOM 1972 O PHE A 716 -1.288 -3.397 -5.032 1.00 61.43 O ATOM 1973 CB PHE A 716 0.091 -0.588 -4.446 1.00 23.13 C ATOM 1974 CG PHE A 716 0.350 0.861 -4.700 1.00 5.03 C ATOM 1975 CD1 PHE A 716 -0.689 1.765 -4.809 1.00 15.01 C ATOM 1976 CD2 PHE A 716 1.642 1.314 -4.845 1.00 2.13 C ATOM 1977 CE1 PHE A 716 -0.437 3.096 -5.055 1.00 5.14 C ATOM 1978 CE2 PHE A 716 1.899 2.634 -5.094 1.00 5.44 C ATOM 1979 CZ PHE A 716 0.859 3.526 -5.199 1.00 5.05 C ATOM 0 H PHE A 716 -2.247 -1.073 -5.680 1.00 2.14 H new ATOM 0 HA PHE A 716 0.590 -1.185 -6.430 1.00 3.42 H new ATOM 0 HB2 PHE A 716 -0.751 -0.683 -3.760 1.00 23.13 H new ATOM 0 HB3 PHE A 716 0.958 -1.022 -3.949 1.00 23.13 H new ATOM 0 HD1 PHE A 716 -1.708 1.425 -4.700 1.00 15.01 H new ATOM 0 HD2 PHE A 716 2.463 0.618 -4.761 1.00 2.13 H new ATOM 0 HE1 PHE A 716 -1.254 3.798 -5.134 1.00 5.14 H new ATOM 0 HE2 PHE A 716 2.918 2.975 -5.208 1.00 5.44 H new ATOM 0 HZ PHE A 716 1.062 4.568 -5.395 1.00 5.05 H new ATOM 1989 N ARG A 717 0.864 -3.481 -5.576 1.00 60.14 N ATOM 1990 CA ARG A 717 1.027 -4.885 -5.327 1.00 14.24 C ATOM 1991 C ARG A 717 1.784 -5.074 -4.030 1.00 0.02 C ATOM 1992 O ARG A 717 2.896 -4.585 -3.884 1.00 15.23 O ATOM 1993 CB ARG A 717 1.776 -5.498 -6.503 1.00 52.14 C ATOM 1994 CG ARG A 717 2.209 -6.926 -6.335 1.00 41.05 C ATOM 1995 CD ARG A 717 2.885 -7.454 -7.596 1.00 53.41 C ATOM 1996 NE ARG A 717 4.067 -6.664 -7.990 1.00 32.42 N ATOM 1997 CZ ARG A 717 5.172 -7.171 -8.577 1.00 30.11 C ATOM 1998 NH1 ARG A 717 5.290 -8.487 -8.761 1.00 32.42 N ATOM 1999 NH2 ARG A 717 6.158 -6.359 -8.958 1.00 51.53 N ATOM 0 H ARG A 717 1.715 -3.024 -5.903 1.00 60.14 H new ATOM 0 HA ARG A 717 0.061 -5.381 -5.229 1.00 14.24 H new ATOM 0 HB2 ARG A 717 1.141 -5.433 -7.386 1.00 52.14 H new ATOM 0 HB3 ARG A 717 2.660 -4.892 -6.701 1.00 52.14 H new ATOM 0 HG2 ARG A 717 2.896 -7.003 -5.492 1.00 41.05 H new ATOM 0 HG3 ARG A 717 1.344 -7.545 -6.098 1.00 41.05 H new ATOM 0 HD2 ARG A 717 3.184 -8.490 -7.435 1.00 53.41 H new ATOM 0 HD3 ARG A 717 2.165 -7.454 -8.415 1.00 53.41 H new ATOM 0 HE ARG A 717 4.048 -5.661 -7.805 1.00 32.42 H new ATOM 0 HH11 ARG A 717 4.544 -9.113 -8.458 1.00 32.42 H new ATOM 0 HH12 ARG A 717 6.126 -8.867 -9.205 1.00 32.42 H new ATOM 0 HH21 ARG A 717 6.078 -5.354 -8.806 1.00 51.53 H new ATOM 0 HH22 ARG A 717 6.992 -6.743 -9.401 1.00 51.53 H new ATOM 2011 N TRP A 718 1.175 -5.744 -3.093 1.00 75.10 N ATOM 2012 CA TRP A 718 1.766 -5.945 -1.798 1.00 41.44 C ATOM 2013 C TRP A 718 1.888 -7.445 -1.540 1.00 21.01 C ATOM 2014 O TRP A 718 0.922 -8.157 -1.645 1.00 43.34 O ATOM 2015 CB TRP A 718 0.833 -5.330 -0.735 1.00 45.12 C ATOM 2016 CG TRP A 718 1.444 -5.178 0.621 1.00 52.13 C ATOM 2017 CD1 TRP A 718 1.974 -6.150 1.404 1.00 2.11 C ATOM 2018 CD2 TRP A 718 1.545 -3.970 1.366 1.00 64.32 C ATOM 2019 NE1 TRP A 718 2.432 -5.615 2.570 1.00 65.42 N ATOM 2020 CE2 TRP A 718 2.176 -4.283 2.577 1.00 45.44 C ATOM 2021 CE3 TRP A 718 1.173 -2.651 1.120 1.00 73.04 C ATOM 2022 CZ2 TRP A 718 2.447 -3.329 3.540 1.00 43.14 C ATOM 2023 CZ3 TRP A 718 1.437 -1.705 2.076 1.00 11.40 C ATOM 2024 CH2 TRP A 718 2.070 -2.048 3.271 1.00 23.01 C ATOM 0 H TRP A 718 0.254 -6.167 -3.204 1.00 75.10 H new ATOM 0 HA TRP A 718 2.750 -5.478 -1.753 1.00 41.44 H new ATOM 0 HB2 TRP A 718 0.505 -4.350 -1.082 1.00 45.12 H new ATOM 0 HB3 TRP A 718 -0.058 -5.952 -0.649 1.00 45.12 H new ATOM 0 HD1 TRP A 718 2.026 -7.196 1.141 1.00 2.11 H new ATOM 0 HE1 TRP A 718 2.893 -6.133 3.318 1.00 65.42 H new ATOM 0 HE3 TRP A 718 0.686 -2.379 0.195 1.00 73.04 H new ATOM 0 HZ2 TRP A 718 2.937 -3.588 4.467 1.00 43.14 H new ATOM 0 HZ3 TRP A 718 1.151 -0.678 1.902 1.00 11.40 H new ATOM 0 HH2 TRP A 718 2.266 -1.278 4.002 1.00 23.01 H new ATOM 2035 N TYR A 719 3.063 -7.910 -1.221 1.00 34.41 N ATOM 2036 CA TYR A 719 3.255 -9.312 -0.856 1.00 71.43 C ATOM 2037 C TYR A 719 3.397 -9.419 0.637 1.00 71.11 C ATOM 2038 O TYR A 719 4.414 -9.023 1.185 1.00 52.40 O ATOM 2039 CB TYR A 719 4.496 -9.893 -1.527 1.00 52.02 C ATOM 2040 CG TYR A 719 4.387 -10.027 -3.023 1.00 43.15 C ATOM 2041 CD1 TYR A 719 3.738 -11.118 -3.586 1.00 33.23 C ATOM 2042 CD2 TYR A 719 4.939 -9.084 -3.873 1.00 43.42 C ATOM 2043 CE1 TYR A 719 3.641 -11.264 -4.950 1.00 52.54 C ATOM 2044 CE2 TYR A 719 4.844 -9.222 -5.240 1.00 30.13 C ATOM 2045 CZ TYR A 719 4.194 -10.317 -5.773 1.00 75.04 C ATOM 2046 OH TYR A 719 4.103 -10.461 -7.146 1.00 1.41 O ATOM 0 H TYR A 719 3.914 -7.348 -1.202 1.00 34.41 H new ATOM 0 HA TYR A 719 2.388 -9.879 -1.195 1.00 71.43 H new ATOM 0 HB2 TYR A 719 5.352 -9.260 -1.292 1.00 52.02 H new ATOM 0 HB3 TYR A 719 4.699 -10.875 -1.100 1.00 52.02 H new ATOM 0 HD1 TYR A 719 3.301 -11.866 -2.941 1.00 33.23 H new ATOM 0 HD2 TYR A 719 5.451 -8.228 -3.458 1.00 43.42 H new ATOM 0 HE1 TYR A 719 3.132 -12.119 -5.370 1.00 52.54 H new ATOM 0 HE2 TYR A 719 5.276 -8.477 -5.892 1.00 30.13 H new ATOM 0 HH TYR A 719 3.282 -10.946 -7.370 1.00 1.41 H new ATOM 2056 N THR A 720 2.399 -9.938 1.297 1.00 42.14 N ATOM 2057 CA THR A 720 2.431 -10.000 2.726 1.00 43.20 C ATOM 2058 C THR A 720 2.067 -11.381 3.242 1.00 53.22 C ATOM 2059 O THR A 720 1.181 -12.063 2.702 1.00 13.32 O ATOM 2060 CB THR A 720 1.508 -8.925 3.382 1.00 35.24 C ATOM 2061 OG1 THR A 720 1.636 -8.969 4.810 1.00 75.25 O ATOM 2062 CG2 THR A 720 0.043 -9.131 3.001 1.00 72.32 C ATOM 0 H THR A 720 1.557 -10.322 0.867 1.00 42.14 H new ATOM 0 HA THR A 720 3.460 -9.786 3.014 1.00 43.20 H new ATOM 0 HB THR A 720 1.826 -7.951 3.010 1.00 35.24 H new ATOM 0 HG1 THR A 720 2.330 -8.339 5.096 1.00 75.25 H new ATOM 0 HG21 THR A 720 -0.568 -8.364 3.477 1.00 72.32 H new ATOM 0 HG22 THR A 720 -0.065 -9.061 1.919 1.00 72.32 H new ATOM 0 HG23 THR A 720 -0.285 -10.115 3.336 1.00 72.32 H new ATOM 2068 N SER A 721 2.768 -11.791 4.260 1.00 52.23 N ATOM 2069 CA SER A 721 2.509 -13.019 4.940 1.00 63.01 C ATOM 2070 C SER A 721 1.203 -12.939 5.752 1.00 0.53 C ATOM 2071 O SER A 721 0.588 -13.955 6.056 1.00 50.31 O ATOM 2072 CB SER A 721 3.702 -13.391 5.798 1.00 43.23 C ATOM 2073 OG SER A 721 4.849 -13.578 4.979 1.00 45.22 O ATOM 0 H SER A 721 3.553 -11.266 4.646 1.00 52.23 H new ATOM 0 HA SER A 721 2.366 -13.812 4.206 1.00 63.01 H new ATOM 0 HB2 SER A 721 3.892 -12.607 6.531 1.00 43.23 H new ATOM 0 HB3 SER A 721 3.490 -14.304 6.355 1.00 43.23 H new ATOM 0 HG SER A 721 5.616 -13.816 5.540 1.00 45.22 H new ATOM 2079 N TYR A 722 0.777 -11.721 6.103 1.00 20.51 N ATOM 2080 CA TYR A 722 -0.448 -11.533 6.862 1.00 33.00 C ATOM 2081 C TYR A 722 -1.697 -11.860 6.041 1.00 60.22 C ATOM 2082 O TYR A 722 -2.792 -11.972 6.584 1.00 3.42 O ATOM 2083 CB TYR A 722 -0.532 -10.128 7.441 1.00 63.42 C ATOM 2084 CG TYR A 722 0.529 -9.831 8.483 1.00 45.20 C ATOM 2085 CD1 TYR A 722 0.311 -10.137 9.818 1.00 45.11 C ATOM 2086 CD2 TYR A 722 1.737 -9.243 8.136 1.00 5.01 C ATOM 2087 CE1 TYR A 722 1.266 -9.866 10.778 1.00 62.22 C ATOM 2088 CE2 TYR A 722 2.697 -8.970 9.090 1.00 14.23 C ATOM 2089 CZ TYR A 722 2.457 -9.282 10.410 1.00 63.21 C ATOM 2090 OH TYR A 722 3.413 -9.006 11.366 1.00 30.12 O ATOM 0 H TYR A 722 1.266 -10.857 5.871 1.00 20.51 H new ATOM 0 HA TYR A 722 -0.413 -12.241 7.690 1.00 33.00 H new ATOM 0 HB2 TYR A 722 -0.444 -9.405 6.630 1.00 63.42 H new ATOM 0 HB3 TYR A 722 -1.516 -9.987 7.888 1.00 63.42 H new ATOM 0 HD1 TYR A 722 -0.622 -10.595 10.112 1.00 45.11 H new ATOM 0 HD2 TYR A 722 1.929 -8.995 7.103 1.00 5.01 H new ATOM 0 HE1 TYR A 722 1.079 -10.111 11.813 1.00 62.22 H new ATOM 0 HE2 TYR A 722 3.633 -8.514 8.802 1.00 14.23 H new ATOM 0 HH TYR A 722 4.194 -8.596 10.939 1.00 30.12 H new ATOM 2100 N ALA A 723 -1.527 -12.019 4.735 1.00 74.44 N ATOM 2101 CA ALA A 723 -2.631 -12.398 3.858 1.00 63.03 C ATOM 2102 C ALA A 723 -2.673 -13.915 3.721 1.00 14.02 C ATOM 2103 O ALA A 723 -3.505 -14.478 3.008 1.00 12.14 O ATOM 2104 CB ALA A 723 -2.477 -11.747 2.490 1.00 60.33 C ATOM 0 H ALA A 723 -0.635 -11.892 4.258 1.00 74.44 H new ATOM 0 HA ALA A 723 -3.567 -12.050 4.295 1.00 63.03 H new ATOM 0 HB1 ALA A 723 -3.309 -12.042 1.851 1.00 60.33 H new ATOM 0 HB2 ALA A 723 -2.471 -10.663 2.602 1.00 60.33 H new ATOM 0 HB3 ALA A 723 -1.540 -12.070 2.037 1.00 60.33 H new ATOM 2110 N CYS A 724 -1.773 -14.557 4.414 1.00 4.14 N ATOM 2111 CA CYS A 724 -1.650 -15.992 4.396 1.00 71.22 C ATOM 2112 C CYS A 724 -2.121 -16.558 5.724 1.00 44.14 C ATOM 2113 O CYS A 724 -1.888 -15.942 6.775 1.00 10.22 O ATOM 2114 CB CYS A 724 -0.185 -16.360 4.202 1.00 30.24 C ATOM 2115 SG CYS A 724 0.553 -15.630 2.718 1.00 4.33 S ATOM 0 H CYS A 724 -1.094 -14.093 5.017 1.00 4.14 H new ATOM 0 HA CYS A 724 -2.254 -16.399 3.585 1.00 71.22 H new ATOM 0 HB2 CYS A 724 0.381 -16.038 5.076 1.00 30.24 H new ATOM 0 HB3 CYS A 724 -0.095 -17.445 4.147 1.00 30.24 H new ATOM 2120 N PRO A 725 -2.818 -17.698 5.716 1.00 12.11 N ATOM 2121 CA PRO A 725 -3.243 -18.342 6.927 1.00 63.43 C ATOM 2122 C PRO A 725 -2.191 -19.351 7.396 1.00 42.22 C ATOM 2123 O PRO A 725 -1.199 -18.936 8.033 1.00 36.81 O ATOM 2124 CB PRO A 725 -4.542 -19.050 6.511 1.00 25.22 C ATOM 2125 CG PRO A 725 -4.450 -19.235 5.017 1.00 45.34 C ATOM 2126 CD PRO A 725 -3.257 -18.442 4.526 1.00 13.22 C ATOM 2127 OXT PRO A 725 -2.324 -20.561 7.087 1.00 36.81 O ATOM 0 HA PRO A 725 -3.385 -17.651 7.758 1.00 63.43 H new ATOM 0 HB2 PRO A 725 -4.644 -20.009 7.018 1.00 25.22 H new ATOM 0 HB3 PRO A 725 -5.415 -18.454 6.778 1.00 25.22 H new ATOM 0 HG2 PRO A 725 -4.336 -20.290 4.769 1.00 45.34 H new ATOM 0 HG3 PRO A 725 -5.364 -18.891 4.532 1.00 45.34 H new ATOM 0 HD2 PRO A 725 -2.470 -19.095 4.149 1.00 13.22 H new ATOM 0 HD3 PRO A 725 -3.530 -17.770 3.712 1.00 13.22 H new