USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 864 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 670 GLN : amide:sc= -2.86 K(o=-8.3,f=-13!) USER MOD Set 1.2: A 692 THR OG1 : rot -156:sc= 0.794 USER MOD Set 1.3: A 707 GLN : amide:sc= -4.4! C(o=-8.3!,f=-8.9!) USER MOD Set 1.4: A 715 ASN : amide:sc= -1.85! C(o=-8.3!,f=-11!) USER MOD Set 2.1: A 644 GLN : amide:sc= 0.787 K(o=1.8,f=0.73) USER MOD Set 2.2: A 679 TYR OH : rot -117:sc= 0.842 USER MOD Set 2.3: A 714 TYR OH : rot 180:sc= 0.142 USER MOD Set 3.1: A 587 THR OG1 : rot 117:sc= 1.51 USER MOD Set 3.2: A 598 GLN : amide:sc= 0.254 K(o=1.8,f=1.2) USER MOD Single : A 591 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.14) USER MOD Single : A 593 THR OG1 : rot 5:sc= 1.09 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 34:sc= 0.106 USER MOD Single : A 606 THR OG1 : rot 110:sc= 1.28 USER MOD Single : A 609 THR OG1 : rot 83:sc= 0.522 USER MOD Single : A 610 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.42e-06) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 6:sc= 1.27 USER MOD Single : A 615 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.12) USER MOD Single : A 618 THR OG1 : rot -47:sc= 1.82 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 1.05 K(o=1.1,f=-5.3!) USER MOD Single : A 626 ASN : amide:sc= 1.58 K(o=1.6,f=-8.6!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -67:sc= 0.782 USER MOD Single : A 646 SER OG : rot 140:sc= 1 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 652 SER OG : rot -140:sc= 0 USER MOD Single : A 654 ASN : amide:sc= -0.0053 K(o=-0.0053,f=-1.3) USER MOD Single : A 658 SER OG : rot 54:sc= 0.0815 USER MOD Single : A 659 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.9!) USER MOD Single : A 661 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.908) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 180:sc= -1.16! USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -164:sc= -0.0844 (180deg=-0.512) USER MOD Single : A 672 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 673 TYR OH : rot -161:sc= 1.24 USER MOD Single : A 677 THR OG1 : rot -150:sc= 0.562 USER MOD Single : A 680 ASN : amide:sc= 0.0771! C(o=0.077!,f=-4.3!) USER MOD Single : A 681 ASN : amide:sc= -0.839 K(o=-0.84,f=-1.6) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot -10:sc= -3.22! USER MOD Single : A 706 TYR OH : rot 49:sc= 0.0137 USER MOD Single : A 712 SER OG : rot 32:sc= 0.157 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= 0.975 USER MOD Single : A 720 THR OG1 : rot 122:sc= 1.14 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 114 N ARG A 586 10.702 -9.661 11.515 1.00 24.52 N ATOM 115 CA ARG A 586 10.118 -9.196 10.313 1.00 31.03 C ATOM 116 C ARG A 586 11.033 -9.421 9.137 1.00 45.44 C ATOM 117 O ARG A 586 12.103 -8.813 9.027 1.00 41.21 O ATOM 118 CB ARG A 586 9.690 -7.741 10.449 1.00 25.23 C ATOM 119 CG ARG A 586 9.097 -7.140 9.194 1.00 62.04 C ATOM 120 CD ARG A 586 8.562 -5.753 9.461 1.00 73.01 C ATOM 121 NE ARG A 586 9.576 -4.843 9.975 1.00 11.31 N ATOM 122 CZ ARG A 586 9.309 -3.736 10.670 1.00 50.33 C ATOM 123 NH1 ARG A 586 8.041 -3.427 10.984 1.00 2.41 N ATOM 124 NH2 ARG A 586 10.303 -2.941 11.060 1.00 20.25 N ATOM 0 HA ARG A 586 9.217 -9.778 10.120 1.00 31.03 H new ATOM 0 HB2 ARG A 586 8.959 -7.665 11.253 1.00 25.23 H new ATOM 0 HB3 ARG A 586 10.555 -7.148 10.747 1.00 25.23 H new ATOM 0 HG2 ARG A 586 9.856 -7.097 8.413 1.00 62.04 H new ATOM 0 HG3 ARG A 586 8.295 -7.779 8.824 1.00 62.04 H new ATOM 0 HD2 ARG A 586 8.149 -5.345 8.539 1.00 73.01 H new ATOM 0 HD3 ARG A 586 7.742 -5.817 10.177 1.00 73.01 H new ATOM 0 HE ARG A 586 10.554 -5.067 9.792 1.00 11.31 H new ATOM 0 HH11 ARG A 586 7.279 -4.039 10.691 1.00 2.41 H new ATOM 0 HH12 ARG A 586 7.839 -2.580 11.515 1.00 2.41 H new ATOM 0 HH21 ARG A 586 11.267 -3.179 10.827 1.00 20.25 H new ATOM 0 HH22 ARG A 586 10.100 -2.094 11.591 1.00 20.25 H new ATOM 136 N THR A 587 10.621 -10.302 8.284 1.00 51.04 N ATOM 137 CA THR A 587 11.345 -10.620 7.096 1.00 62.02 C ATOM 138 C THR A 587 10.804 -9.753 5.958 1.00 0.31 C ATOM 139 O THR A 587 9.581 -9.645 5.789 1.00 22.31 O ATOM 140 CB THR A 587 11.174 -12.127 6.761 1.00 53.24 C ATOM 141 OG1 THR A 587 11.577 -12.917 7.909 1.00 54.41 O ATOM 142 CG2 THR A 587 12.033 -12.522 5.565 1.00 5.44 C ATOM 0 H THR A 587 9.756 -10.831 8.395 1.00 51.04 H new ATOM 0 HA THR A 587 12.408 -10.422 7.235 1.00 62.02 H new ATOM 0 HB THR A 587 10.128 -12.310 6.516 1.00 53.24 H new ATOM 0 HG1 THR A 587 10.808 -13.423 8.244 1.00 54.41 H new ATOM 0 HG21 THR A 587 11.894 -13.582 5.352 1.00 5.44 H new ATOM 0 HG22 THR A 587 11.738 -11.935 4.695 1.00 5.44 H new ATOM 0 HG23 THR A 587 13.082 -12.332 5.792 1.00 5.44 H new ATOM 148 N GLU A 588 11.688 -9.105 5.225 1.00 13.42 N ATOM 149 CA GLU A 588 11.275 -8.255 4.132 1.00 44.21 C ATOM 150 C GLU A 588 11.558 -8.919 2.779 1.00 52.11 C ATOM 151 O GLU A 588 12.611 -9.524 2.583 1.00 33.33 O ATOM 152 CB GLU A 588 11.922 -6.852 4.241 1.00 52.44 C ATOM 153 CG GLU A 588 13.450 -6.846 4.252 1.00 22.32 C ATOM 154 CD GLU A 588 14.041 -5.450 4.335 1.00 34.12 C ATOM 155 OE1 GLU A 588 14.182 -4.910 5.460 1.00 54.31 O ATOM 156 OE2 GLU A 588 14.383 -4.872 3.271 1.00 54.24 O ATOM 0 H GLU A 588 12.697 -9.153 5.369 1.00 13.42 H new ATOM 0 HA GLU A 588 10.196 -8.115 4.199 1.00 44.21 H new ATOM 0 HB2 GLU A 588 11.577 -6.243 3.405 1.00 52.44 H new ATOM 0 HB3 GLU A 588 11.565 -6.373 5.153 1.00 52.44 H new ATOM 0 HG2 GLU A 588 13.803 -7.434 5.099 1.00 22.32 H new ATOM 0 HG3 GLU A 588 13.816 -7.335 3.349 1.00 22.32 H new ATOM 163 N GLY A 589 10.609 -8.817 1.878 1.00 33.41 N ATOM 164 CA GLY A 589 10.720 -9.411 0.568 1.00 14.50 C ATOM 165 C GLY A 589 10.373 -8.413 -0.514 1.00 70.53 C ATOM 166 O GLY A 589 10.006 -7.279 -0.215 1.00 44.21 O ATOM 0 H GLY A 589 9.734 -8.317 2.035 1.00 33.41 H new ATOM 0 HA2 GLY A 589 11.735 -9.778 0.417 1.00 14.50 H new ATOM 0 HA3 GLY A 589 10.056 -10.273 0.499 1.00 14.50 H new ATOM 170 N ASP A 590 10.449 -8.831 -1.753 1.00 31.10 N ATOM 171 CA ASP A 590 10.229 -7.932 -2.885 1.00 43.40 C ATOM 172 C ASP A 590 9.370 -8.673 -3.932 1.00 40.40 C ATOM 173 O ASP A 590 8.878 -9.774 -3.650 1.00 70.11 O ATOM 174 CB ASP A 590 11.614 -7.538 -3.467 1.00 4.24 C ATOM 175 CG ASP A 590 11.589 -6.416 -4.494 1.00 20.01 C ATOM 176 OD1 ASP A 590 11.396 -6.686 -5.686 1.00 14.03 O ATOM 177 OD2 ASP A 590 11.797 -5.267 -4.124 1.00 24.14 O ATOM 0 H ASP A 590 10.662 -9.793 -2.016 1.00 31.10 H new ATOM 0 HA ASP A 590 9.705 -7.025 -2.584 1.00 43.40 H new ATOM 0 HB2 ASP A 590 12.265 -7.242 -2.644 1.00 4.24 H new ATOM 0 HB3 ASP A 590 12.062 -8.419 -3.926 1.00 4.24 H new ATOM 182 N ASN A 591 9.181 -8.076 -5.115 1.00 32.15 N ATOM 183 CA ASN A 591 8.405 -8.667 -6.237 1.00 4.31 C ATOM 184 C ASN A 591 6.922 -8.818 -5.831 1.00 70.24 C ATOM 185 O ASN A 591 6.193 -9.661 -6.349 1.00 23.14 O ATOM 186 CB ASN A 591 9.049 -10.033 -6.661 1.00 73.25 C ATOM 187 CG ASN A 591 8.519 -10.621 -7.981 1.00 32.15 C ATOM 188 OD1 ASN A 591 9.035 -10.316 -9.054 1.00 24.45 O ATOM 189 ND2 ASN A 591 7.529 -11.479 -7.912 1.00 64.12 N ATOM 0 H ASN A 591 9.564 -7.156 -5.333 1.00 32.15 H new ATOM 0 HA ASN A 591 8.437 -8.005 -7.103 1.00 4.31 H new ATOM 0 HB2 ASN A 591 10.127 -9.898 -6.748 1.00 73.25 H new ATOM 0 HB3 ASN A 591 8.882 -10.759 -5.865 1.00 73.25 H new ATOM 0 HD21 ASN A 591 7.169 -11.911 -8.763 1.00 64.12 H new ATOM 0 HD22 ASN A 591 7.120 -11.714 -7.008 1.00 64.12 H new ATOM 195 N CYS A 592 6.483 -7.948 -4.907 1.00 72.44 N ATOM 196 CA CYS A 592 5.099 -7.946 -4.390 1.00 23.51 C ATOM 197 C CYS A 592 4.819 -9.214 -3.617 1.00 72.45 C ATOM 198 O CYS A 592 3.658 -9.623 -3.447 1.00 31.43 O ATOM 199 CB CYS A 592 4.083 -7.782 -5.525 1.00 24.14 C ATOM 200 SG CYS A 592 4.280 -6.253 -6.471 1.00 4.10 S ATOM 0 H CYS A 592 7.074 -7.226 -4.496 1.00 72.44 H new ATOM 0 HA CYS A 592 4.996 -7.094 -3.717 1.00 23.51 H new ATOM 0 HB2 CYS A 592 4.171 -8.631 -6.203 1.00 24.14 H new ATOM 0 HB3 CYS A 592 3.077 -7.811 -5.106 1.00 24.14 H new ATOM 205 N THR A 593 5.870 -9.805 -3.099 1.00 34.42 N ATOM 206 CA THR A 593 5.763 -11.010 -2.362 1.00 24.13 C ATOM 207 C THR A 593 6.635 -10.942 -1.143 1.00 11.13 C ATOM 208 O THR A 593 7.662 -10.277 -1.139 1.00 12.03 O ATOM 209 CB THR A 593 6.138 -12.265 -3.207 1.00 12.13 C ATOM 210 OG1 THR A 593 7.432 -12.104 -3.831 1.00 74.22 O ATOM 211 CG2 THR A 593 5.094 -12.570 -4.263 1.00 25.34 C ATOM 0 H THR A 593 6.822 -9.449 -3.186 1.00 34.42 H new ATOM 0 HA THR A 593 4.718 -11.116 -2.071 1.00 24.13 H new ATOM 0 HB THR A 593 6.178 -13.108 -2.517 1.00 12.13 H new ATOM 0 HG1 THR A 593 7.837 -11.264 -3.531 1.00 74.22 H new ATOM 0 HG21 THR A 593 5.395 -13.452 -4.828 1.00 25.34 H new ATOM 0 HG22 THR A 593 4.134 -12.758 -3.782 1.00 25.34 H new ATOM 0 HG23 THR A 593 5.001 -11.720 -4.939 1.00 25.34 H new ATOM 217 N VAL A 594 6.217 -11.592 -0.133 1.00 2.15 N ATOM 218 CA VAL A 594 6.964 -11.684 1.066 1.00 42.22 C ATOM 219 C VAL A 594 6.998 -13.117 1.510 1.00 14.23 C ATOM 220 O VAL A 594 5.961 -13.766 1.623 1.00 62.03 O ATOM 221 CB VAL A 594 6.431 -10.729 2.178 1.00 30.45 C ATOM 222 CG1 VAL A 594 4.928 -10.873 2.371 1.00 43.23 C ATOM 223 CG2 VAL A 594 7.149 -10.979 3.485 1.00 51.11 C ATOM 0 H VAL A 594 5.326 -12.089 -0.109 1.00 2.15 H new ATOM 0 HA VAL A 594 7.983 -11.350 0.871 1.00 42.22 H new ATOM 0 HB VAL A 594 6.631 -9.708 1.852 1.00 30.45 H new ATOM 0 HG11 VAL A 594 4.595 -10.192 3.154 1.00 43.23 H new ATOM 0 HG12 VAL A 594 4.417 -10.633 1.439 1.00 43.23 H new ATOM 0 HG13 VAL A 594 4.695 -11.898 2.659 1.00 43.23 H new ATOM 0 HG21 VAL A 594 6.763 -10.303 4.248 1.00 51.11 H new ATOM 0 HG22 VAL A 594 6.986 -12.010 3.798 1.00 51.11 H new ATOM 0 HG23 VAL A 594 8.217 -10.804 3.353 1.00 51.11 H new ATOM 229 N PHE A 595 8.170 -13.621 1.713 1.00 23.41 N ATOM 230 CA PHE A 595 8.330 -14.982 2.086 1.00 1.11 C ATOM 231 C PHE A 595 9.247 -15.097 3.262 1.00 44.32 C ATOM 232 O PHE A 595 10.188 -14.317 3.403 1.00 20.52 O ATOM 233 CB PHE A 595 8.828 -15.832 0.895 1.00 0.21 C ATOM 234 CG PHE A 595 10.150 -15.396 0.296 1.00 53.34 C ATOM 235 CD1 PHE A 595 10.195 -14.419 -0.688 1.00 32.13 C ATOM 236 CD2 PHE A 595 11.342 -15.971 0.712 1.00 71.33 C ATOM 237 CE1 PHE A 595 11.397 -14.024 -1.242 1.00 25.32 C ATOM 238 CE2 PHE A 595 12.548 -15.581 0.160 1.00 3.32 C ATOM 239 CZ PHE A 595 12.573 -14.607 -0.818 1.00 1.43 C ATOM 0 H PHE A 595 9.042 -13.099 1.624 1.00 23.41 H new ATOM 0 HA PHE A 595 7.356 -15.374 2.378 1.00 1.11 H new ATOM 0 HB2 PHE A 595 8.920 -16.868 1.222 1.00 0.21 H new ATOM 0 HB3 PHE A 595 8.069 -15.811 0.113 1.00 0.21 H new ATOM 0 HD1 PHE A 595 9.277 -13.961 -1.026 1.00 32.13 H new ATOM 0 HD2 PHE A 595 11.328 -16.733 1.477 1.00 71.33 H new ATOM 0 HE1 PHE A 595 11.416 -13.260 -2.005 1.00 25.32 H new ATOM 0 HE2 PHE A 595 13.468 -16.037 0.493 1.00 3.32 H new ATOM 0 HZ PHE A 595 13.514 -14.301 -1.251 1.00 1.43 H new ATOM 249 N ASP A 596 8.959 -16.033 4.102 1.00 34.12 N ATOM 250 CA ASP A 596 9.750 -16.295 5.262 1.00 31.01 C ATOM 251 C ASP A 596 10.091 -17.756 5.212 1.00 22.35 C ATOM 252 O ASP A 596 9.207 -18.598 5.309 1.00 31.51 O ATOM 253 CB ASP A 596 8.885 -16.054 6.496 1.00 71.40 C ATOM 254 CG ASP A 596 9.669 -16.061 7.764 1.00 53.13 C ATOM 255 OD1 ASP A 596 9.979 -17.141 8.260 1.00 73.15 O ATOM 256 OD2 ASP A 596 9.980 -14.973 8.281 1.00 1.55 O ATOM 0 H ASP A 596 8.153 -16.650 4.002 1.00 34.12 H new ATOM 0 HA ASP A 596 10.639 -15.666 5.299 1.00 31.01 H new ATOM 0 HB2 ASP A 596 8.376 -15.096 6.395 1.00 71.40 H new ATOM 0 HB3 ASP A 596 8.113 -16.822 6.548 1.00 71.40 H new ATOM 261 N SER A 597 11.339 -18.060 5.027 1.00 63.11 N ATOM 262 CA SER A 597 11.797 -19.435 4.973 1.00 25.25 C ATOM 263 C SER A 597 11.767 -20.098 6.354 1.00 72.34 C ATOM 264 O SER A 597 11.602 -21.309 6.482 1.00 22.42 O ATOM 265 CB SER A 597 13.184 -19.478 4.360 1.00 15.24 C ATOM 266 OG SER A 597 13.168 -18.846 3.075 1.00 4.44 O ATOM 0 H SER A 597 12.079 -17.368 4.908 1.00 63.11 H new ATOM 0 HA SER A 597 11.116 -20.008 4.344 1.00 25.25 H new ATOM 0 HB2 SER A 597 13.896 -18.974 5.014 1.00 15.24 H new ATOM 0 HB3 SER A 597 13.516 -20.512 4.263 1.00 15.24 H new ATOM 0 HG SER A 597 14.067 -18.875 2.685 1.00 4.44 H new ATOM 272 N GLN A 598 11.895 -19.273 7.367 1.00 42.45 N ATOM 273 CA GLN A 598 12.032 -19.700 8.752 1.00 74.15 C ATOM 274 C GLN A 598 10.725 -20.325 9.248 1.00 53.25 C ATOM 275 O GLN A 598 10.723 -21.391 9.884 1.00 64.43 O ATOM 276 CB GLN A 598 12.351 -18.452 9.552 1.00 40.20 C ATOM 277 CG GLN A 598 13.555 -17.698 9.012 1.00 12.14 C ATOM 278 CD GLN A 598 13.520 -16.232 9.366 1.00 13.02 C ATOM 279 OE1 GLN A 598 14.031 -15.801 10.405 1.00 51.33 O ATOM 280 NE2 GLN A 598 12.915 -15.455 8.485 1.00 2.31 N ATOM 0 H GLN A 598 11.908 -18.259 7.254 1.00 42.45 H new ATOM 0 HA GLN A 598 12.814 -20.452 8.858 1.00 74.15 H new ATOM 0 HB2 GLN A 598 11.483 -17.792 9.549 1.00 40.20 H new ATOM 0 HB3 GLN A 598 12.537 -18.729 10.590 1.00 40.20 H new ATOM 0 HG2 GLN A 598 14.467 -18.143 9.409 1.00 12.14 H new ATOM 0 HG3 GLN A 598 13.592 -17.807 7.928 1.00 12.14 H new ATOM 0 HE21 GLN A 598 12.509 -15.860 7.642 1.00 2.31 H new ATOM 0 HE22 GLN A 598 12.854 -14.450 8.648 1.00 2.31 H new ATOM 288 N ALA A 599 9.624 -19.677 8.938 1.00 53.42 N ATOM 289 CA ALA A 599 8.320 -20.197 9.284 1.00 43.10 C ATOM 290 C ALA A 599 7.732 -20.948 8.101 1.00 0.04 C ATOM 291 O ALA A 599 6.800 -21.742 8.254 1.00 61.15 O ATOM 292 CB ALA A 599 7.393 -19.064 9.709 1.00 63.34 C ATOM 0 H ALA A 599 9.606 -18.785 8.444 1.00 53.42 H new ATOM 0 HA ALA A 599 8.426 -20.887 10.121 1.00 43.10 H new ATOM 0 HB1 ALA A 599 6.415 -19.471 9.966 1.00 63.34 H new ATOM 0 HB2 ALA A 599 7.814 -18.555 10.576 1.00 63.34 H new ATOM 0 HB3 ALA A 599 7.286 -18.354 8.889 1.00 63.34 H new ATOM 298 N GLY A 600 8.286 -20.698 6.928 1.00 11.31 N ATOM 299 CA GLY A 600 7.852 -21.402 5.741 1.00 71.14 C ATOM 300 C GLY A 600 6.555 -20.841 5.242 1.00 1.23 C ATOM 301 O GLY A 600 5.559 -21.557 5.108 1.00 41.11 O ATOM 0 H GLY A 600 9.031 -20.018 6.775 1.00 11.31 H new ATOM 0 HA2 GLY A 600 8.613 -21.321 4.965 1.00 71.14 H new ATOM 0 HA3 GLY A 600 7.735 -22.463 5.963 1.00 71.14 H new ATOM 305 N PHE A 601 6.566 -19.568 4.966 1.00 52.32 N ATOM 306 CA PHE A 601 5.384 -18.853 4.586 1.00 74.33 C ATOM 307 C PHE A 601 5.686 -17.960 3.385 1.00 43.32 C ATOM 308 O PHE A 601 6.775 -17.415 3.281 1.00 52.41 O ATOM 309 CB PHE A 601 4.930 -18.015 5.791 1.00 54.42 C ATOM 310 CG PHE A 601 3.656 -17.260 5.599 1.00 73.25 C ATOM 311 CD1 PHE A 601 2.439 -17.876 5.820 1.00 61.42 C ATOM 312 CD2 PHE A 601 3.672 -15.933 5.210 1.00 51.02 C ATOM 313 CE1 PHE A 601 1.264 -17.185 5.655 1.00 61.11 C ATOM 314 CE2 PHE A 601 2.500 -15.239 5.045 1.00 50.31 C ATOM 315 CZ PHE A 601 1.293 -15.867 5.269 1.00 62.14 C ATOM 0 H PHE A 601 7.407 -18.992 4.999 1.00 52.32 H new ATOM 0 HA PHE A 601 4.590 -19.542 4.299 1.00 74.33 H new ATOM 0 HB2 PHE A 601 4.815 -18.676 6.650 1.00 54.42 H new ATOM 0 HB3 PHE A 601 5.720 -17.306 6.038 1.00 54.42 H new ATOM 0 HD1 PHE A 601 2.412 -18.911 6.126 1.00 61.42 H new ATOM 0 HD2 PHE A 601 4.616 -15.438 5.034 1.00 51.02 H new ATOM 0 HE1 PHE A 601 0.318 -17.677 5.828 1.00 61.11 H new ATOM 0 HE2 PHE A 601 2.523 -14.203 4.740 1.00 50.31 H new ATOM 0 HZ PHE A 601 0.369 -15.322 5.141 1.00 62.14 H new ATOM 325 N SER A 602 4.736 -17.828 2.492 1.00 42.41 N ATOM 326 CA SER A 602 4.879 -16.999 1.315 1.00 14.02 C ATOM 327 C SER A 602 3.572 -16.263 1.047 1.00 42.34 C ATOM 328 O SER A 602 2.509 -16.890 0.988 1.00 24.35 O ATOM 329 CB SER A 602 5.276 -17.874 0.120 1.00 22.14 C ATOM 330 OG SER A 602 4.362 -18.968 -0.041 1.00 30.21 O ATOM 0 H SER A 602 3.832 -18.296 2.560 1.00 42.41 H new ATOM 0 HA SER A 602 5.662 -16.258 1.474 1.00 14.02 H new ATOM 0 HB2 SER A 602 5.291 -17.271 -0.788 1.00 22.14 H new ATOM 0 HB3 SER A 602 6.286 -18.257 0.265 1.00 22.14 H new ATOM 0 HG SER A 602 3.461 -18.682 0.216 1.00 30.21 H new ATOM 336 N PHE A 603 3.631 -14.955 0.915 1.00 72.45 N ATOM 337 CA PHE A 603 2.437 -14.197 0.693 1.00 71.24 C ATOM 338 C PHE A 603 2.588 -13.307 -0.550 1.00 31.53 C ATOM 339 O PHE A 603 3.698 -12.843 -0.861 1.00 51.30 O ATOM 340 CB PHE A 603 2.170 -13.341 1.908 1.00 24.41 C ATOM 341 CG PHE A 603 0.723 -13.112 2.139 1.00 13.13 C ATOM 342 CD1 PHE A 603 -0.025 -14.084 2.771 1.00 25.23 C ATOM 343 CD2 PHE A 603 0.103 -11.949 1.742 1.00 44.13 C ATOM 344 CE1 PHE A 603 -1.354 -13.908 3.007 1.00 72.34 C ATOM 345 CE2 PHE A 603 -1.238 -11.768 1.976 1.00 44.33 C ATOM 346 CZ PHE A 603 -1.960 -12.752 2.610 1.00 41.21 C ATOM 0 H PHE A 603 4.489 -14.406 0.958 1.00 72.45 H new ATOM 0 HA PHE A 603 1.603 -14.878 0.527 1.00 71.24 H new ATOM 0 HB2 PHE A 603 2.603 -13.819 2.787 1.00 24.41 H new ATOM 0 HB3 PHE A 603 2.671 -12.381 1.788 1.00 24.41 H new ATOM 0 HD1 PHE A 603 0.452 -15.001 3.084 1.00 25.23 H new ATOM 0 HD2 PHE A 603 0.672 -11.177 1.245 1.00 44.13 H new ATOM 0 HE1 PHE A 603 -1.925 -14.678 3.505 1.00 72.34 H new ATOM 0 HE2 PHE A 603 -1.724 -10.856 1.663 1.00 44.33 H new ATOM 0 HZ PHE A 603 -3.014 -12.609 2.795 1.00 41.21 H new ATOM 356 N ASP A 604 1.490 -13.102 -1.255 1.00 52.31 N ATOM 357 CA ASP A 604 1.448 -12.262 -2.474 1.00 23.10 C ATOM 358 C ASP A 604 0.358 -11.214 -2.355 1.00 40.30 C ATOM 359 O ASP A 604 -0.724 -11.501 -1.849 1.00 13.21 O ATOM 360 CB ASP A 604 1.199 -13.116 -3.737 1.00 2.03 C ATOM 361 CG ASP A 604 1.005 -12.273 -5.001 1.00 62.31 C ATOM 362 OD1 ASP A 604 -0.147 -11.898 -5.309 1.00 62.01 O ATOM 363 OD2 ASP A 604 1.994 -11.978 -5.702 1.00 2.41 O ATOM 0 H ASP A 604 0.588 -13.509 -1.009 1.00 52.31 H new ATOM 0 HA ASP A 604 2.418 -11.773 -2.570 1.00 23.10 H new ATOM 0 HB2 ASP A 604 2.041 -13.792 -3.884 1.00 2.03 H new ATOM 0 HB3 ASP A 604 0.316 -13.736 -3.581 1.00 2.03 H new ATOM 368 N LEU A 605 0.632 -10.013 -2.825 1.00 33.50 N ATOM 369 CA LEU A 605 -0.342 -8.923 -2.780 1.00 72.11 C ATOM 370 C LEU A 605 -0.458 -8.206 -4.120 1.00 71.45 C ATOM 371 O LEU A 605 -0.951 -7.074 -4.186 1.00 73.52 O ATOM 372 CB LEU A 605 0.033 -7.936 -1.689 1.00 20.42 C ATOM 373 CG LEU A 605 -0.079 -8.446 -0.258 1.00 30.13 C ATOM 374 CD1 LEU A 605 0.469 -7.429 0.683 1.00 53.31 C ATOM 375 CD2 LEU A 605 -1.531 -8.736 0.092 1.00 2.25 C ATOM 0 H LEU A 605 1.525 -9.759 -3.247 1.00 33.50 H new ATOM 0 HA LEU A 605 -1.316 -9.360 -2.557 1.00 72.11 H new ATOM 0 HB2 LEU A 605 1.060 -7.611 -1.858 1.00 20.42 H new ATOM 0 HB3 LEU A 605 -0.601 -7.055 -1.790 1.00 20.42 H new ATOM 0 HG LEU A 605 0.494 -9.369 -0.171 1.00 30.13 H new ATOM 0 HD11 LEU A 605 0.387 -7.798 1.705 1.00 53.31 H new ATOM 0 HD12 LEU A 605 1.517 -7.243 0.447 1.00 53.31 H new ATOM 0 HD13 LEU A 605 -0.095 -6.502 0.585 1.00 53.31 H new ATOM 0 HD21 LEU A 605 -1.592 -9.099 1.118 1.00 2.25 H new ATOM 0 HD22 LEU A 605 -2.118 -7.823 -0.005 1.00 2.25 H new ATOM 0 HD23 LEU A 605 -1.924 -9.494 -0.586 1.00 2.25 H new ATOM 383 N THR A 606 -0.075 -8.888 -5.180 1.00 3.41 N ATOM 384 CA THR A 606 -0.104 -8.345 -6.513 1.00 4.21 C ATOM 385 C THR A 606 -1.501 -7.751 -6.929 1.00 52.41 C ATOM 386 O THR A 606 -1.561 -6.596 -7.373 1.00 42.40 O ATOM 387 CB THR A 606 0.351 -9.411 -7.517 1.00 32.13 C ATOM 388 OG1 THR A 606 1.691 -9.818 -7.197 1.00 75.34 O ATOM 389 CG2 THR A 606 0.307 -8.874 -8.918 1.00 13.20 C ATOM 0 H THR A 606 0.269 -9.847 -5.134 1.00 3.41 H new ATOM 0 HA THR A 606 0.588 -7.503 -6.521 1.00 4.21 H new ATOM 0 HB THR A 606 -0.323 -10.266 -7.455 1.00 32.13 H new ATOM 0 HG1 THR A 606 1.681 -10.736 -6.854 1.00 75.34 H new ATOM 0 HG21 THR A 606 0.634 -9.646 -9.614 1.00 13.20 H new ATOM 0 HG22 THR A 606 -0.712 -8.574 -9.161 1.00 13.20 H new ATOM 0 HG23 THR A 606 0.968 -8.011 -8.998 1.00 13.20 H new ATOM 395 N PRO A 607 -2.640 -8.513 -6.774 1.00 20.20 N ATOM 396 CA PRO A 607 -3.989 -8.037 -7.159 1.00 25.53 C ATOM 397 C PRO A 607 -4.445 -6.743 -6.460 1.00 64.53 C ATOM 398 O PRO A 607 -5.450 -6.143 -6.858 1.00 42.10 O ATOM 399 CB PRO A 607 -4.915 -9.194 -6.768 1.00 31.40 C ATOM 400 CG PRO A 607 -4.122 -10.029 -5.828 1.00 62.11 C ATOM 401 CD PRO A 607 -2.706 -9.899 -6.267 1.00 21.33 C ATOM 0 HA PRO A 607 -4.000 -7.779 -8.218 1.00 25.53 H new ATOM 0 HB2 PRO A 607 -5.826 -8.827 -6.295 1.00 31.40 H new ATOM 0 HB3 PRO A 607 -5.219 -9.768 -7.643 1.00 31.40 H new ATOM 0 HG2 PRO A 607 -4.246 -9.687 -4.801 1.00 62.11 H new ATOM 0 HG3 PRO A 607 -4.447 -11.069 -5.859 1.00 62.11 H new ATOM 0 HD2 PRO A 607 -2.012 -10.060 -5.442 1.00 21.33 H new ATOM 0 HD3 PRO A 607 -2.456 -10.624 -7.041 1.00 21.33 H new ATOM 409 N LEU A 608 -3.733 -6.316 -5.425 1.00 14.40 N ATOM 410 CA LEU A 608 -4.092 -5.115 -4.725 1.00 40.40 C ATOM 411 C LEU A 608 -3.478 -3.876 -5.393 1.00 71.45 C ATOM 412 O LEU A 608 -3.777 -2.757 -5.013 1.00 0.52 O ATOM 413 CB LEU A 608 -3.680 -5.154 -3.237 1.00 32.11 C ATOM 414 CG LEU A 608 -4.360 -6.160 -2.281 1.00 75.03 C ATOM 415 CD1 LEU A 608 -3.980 -7.584 -2.580 1.00 71.44 C ATOM 416 CD2 LEU A 608 -4.039 -5.822 -0.836 1.00 52.13 C ATOM 0 H LEU A 608 -2.907 -6.791 -5.061 1.00 14.40 H new ATOM 0 HA LEU A 608 -5.179 -5.050 -4.773 1.00 40.40 H new ATOM 0 HB2 LEU A 608 -2.607 -5.344 -3.201 1.00 32.11 H new ATOM 0 HB3 LEU A 608 -3.841 -4.156 -2.828 1.00 32.11 H new ATOM 0 HG LEU A 608 -5.435 -6.073 -2.441 1.00 75.03 H new ATOM 0 HD11 LEU A 608 -4.485 -8.250 -1.880 1.00 71.44 H new ATOM 0 HD12 LEU A 608 -4.278 -7.834 -3.598 1.00 71.44 H new ATOM 0 HD13 LEU A 608 -2.901 -7.702 -2.479 1.00 71.44 H new ATOM 0 HD21 LEU A 608 -4.526 -6.541 -0.177 1.00 52.13 H new ATOM 0 HD22 LEU A 608 -2.960 -5.863 -0.684 1.00 52.13 H new ATOM 0 HD23 LEU A 608 -4.400 -4.819 -0.608 1.00 52.13 H new ATOM 424 N THR A 609 -2.631 -4.087 -6.373 1.00 44.30 N ATOM 425 CA THR A 609 -1.966 -2.998 -7.073 1.00 73.34 C ATOM 426 C THR A 609 -2.933 -2.311 -8.067 1.00 13.14 C ATOM 427 O THR A 609 -3.536 -2.974 -8.918 1.00 31.31 O ATOM 428 CB THR A 609 -0.737 -3.541 -7.843 1.00 43.54 C ATOM 429 OG1 THR A 609 0.104 -4.274 -6.934 1.00 64.43 O ATOM 430 CG2 THR A 609 0.074 -2.408 -8.468 1.00 44.41 C ATOM 0 H THR A 609 -2.379 -5.016 -6.712 1.00 44.30 H new ATOM 0 HA THR A 609 -1.643 -2.264 -6.335 1.00 73.34 H new ATOM 0 HB THR A 609 -1.095 -4.189 -8.643 1.00 43.54 H new ATOM 0 HG1 THR A 609 -0.235 -5.189 -6.840 1.00 64.43 H new ATOM 0 HG21 THR A 609 0.929 -2.824 -9.001 1.00 44.41 H new ATOM 0 HG22 THR A 609 -0.553 -1.853 -9.166 1.00 44.41 H new ATOM 0 HG23 THR A 609 0.426 -1.737 -7.684 1.00 44.41 H new ATOM 436 N LYS A 610 -3.096 -1.001 -7.949 1.00 73.11 N ATOM 437 CA LYS A 610 -3.946 -0.250 -8.875 1.00 11.21 C ATOM 438 C LYS A 610 -3.077 0.609 -9.763 1.00 51.22 C ATOM 439 O LYS A 610 -1.961 0.935 -9.393 1.00 73.14 O ATOM 440 CB LYS A 610 -4.926 0.686 -8.155 1.00 0.51 C ATOM 441 CG LYS A 610 -5.953 0.037 -7.247 1.00 61.13 C ATOM 442 CD LYS A 610 -6.893 1.109 -6.692 1.00 33.50 C ATOM 443 CE LYS A 610 -7.999 0.537 -5.808 1.00 10.41 C ATOM 444 NZ LYS A 610 -8.967 -0.291 -6.547 1.00 42.14 N ATOM 0 H LYS A 610 -2.655 -0.434 -7.225 1.00 73.11 H new ATOM 0 HA LYS A 610 -4.517 -0.985 -9.442 1.00 11.21 H new ATOM 0 HB2 LYS A 610 -4.346 1.392 -7.561 1.00 0.51 H new ATOM 0 HB3 LYS A 610 -5.458 1.265 -8.909 1.00 0.51 H new ATOM 0 HG2 LYS A 610 -6.522 -0.710 -7.800 1.00 61.13 H new ATOM 0 HG3 LYS A 610 -5.454 -0.483 -6.429 1.00 61.13 H new ATOM 0 HD2 LYS A 610 -6.312 1.830 -6.116 1.00 33.50 H new ATOM 0 HD3 LYS A 610 -7.344 1.653 -7.522 1.00 33.50 H new ATOM 0 HE2 LYS A 610 -7.548 -0.062 -5.017 1.00 10.41 H new ATOM 0 HE3 LYS A 610 -8.528 1.358 -5.324 1.00 10.41 H new ATOM 0 HZ1 LYS A 610 -9.700 -0.634 -5.894 1.00 42.14 H new ATOM 0 HZ2 LYS A 610 -9.410 0.278 -7.296 1.00 42.14 H new ATOM 0 HZ3 LYS A 610 -8.476 -1.102 -6.973 1.00 42.14 H new ATOM 458 N LYS A 611 -3.572 0.977 -10.920 1.00 61.44 N ATOM 459 CA LYS A 611 -2.833 1.886 -11.783 1.00 32.34 C ATOM 460 C LYS A 611 -2.924 3.331 -11.267 1.00 41.10 C ATOM 461 O LYS A 611 -1.948 4.081 -11.316 1.00 10.51 O ATOM 462 CB LYS A 611 -3.279 1.793 -13.252 1.00 11.41 C ATOM 463 CG LYS A 611 -4.743 2.097 -13.489 1.00 35.42 C ATOM 464 CD LYS A 611 -5.080 2.045 -14.954 1.00 13.14 C ATOM 465 CE LYS A 611 -6.550 2.307 -15.184 1.00 23.41 C ATOM 466 NZ LYS A 611 -6.898 2.242 -16.612 1.00 24.12 N ATOM 0 H LYS A 611 -4.472 0.669 -11.289 1.00 61.44 H new ATOM 0 HA LYS A 611 -1.789 1.575 -11.751 1.00 32.34 H new ATOM 0 HB2 LYS A 611 -2.678 2.483 -13.844 1.00 11.41 H new ATOM 0 HB3 LYS A 611 -3.066 0.789 -13.619 1.00 11.41 H new ATOM 0 HG2 LYS A 611 -5.358 1.380 -12.946 1.00 35.42 H new ATOM 0 HG3 LYS A 611 -4.981 3.085 -13.093 1.00 35.42 H new ATOM 0 HD2 LYS A 611 -4.487 2.784 -15.493 1.00 13.14 H new ATOM 0 HD3 LYS A 611 -4.814 1.068 -15.357 1.00 13.14 H new ATOM 0 HE2 LYS A 611 -7.141 1.576 -14.632 1.00 23.41 H new ATOM 0 HE3 LYS A 611 -6.810 3.290 -14.790 1.00 23.41 H new ATOM 0 HZ1 LYS A 611 -7.915 2.427 -16.730 1.00 24.12 H new ATOM 0 HZ2 LYS A 611 -6.353 2.957 -17.135 1.00 24.12 H new ATOM 0 HZ3 LYS A 611 -6.673 1.296 -16.981 1.00 24.12 H new ATOM 480 N ASP A 612 -4.093 3.702 -10.736 1.00 64.23 N ATOM 481 CA ASP A 612 -4.303 5.078 -10.247 1.00 41.30 C ATOM 482 C ASP A 612 -3.991 5.188 -8.792 1.00 50.14 C ATOM 483 O ASP A 612 -3.967 6.290 -8.233 1.00 31.33 O ATOM 484 CB ASP A 612 -5.726 5.609 -10.517 1.00 74.32 C ATOM 485 CG ASP A 612 -6.008 5.906 -11.972 1.00 63.55 C ATOM 486 OD1 ASP A 612 -5.589 6.980 -12.460 1.00 12.43 O ATOM 487 OD2 ASP A 612 -6.683 5.095 -12.641 1.00 72.45 O ATOM 0 H ASP A 612 -4.899 3.085 -10.632 1.00 64.23 H new ATOM 0 HA ASP A 612 -3.612 5.701 -10.814 1.00 41.30 H new ATOM 0 HB2 ASP A 612 -6.450 4.876 -10.160 1.00 74.32 H new ATOM 0 HB3 ASP A 612 -5.880 6.518 -9.935 1.00 74.32 H new ATOM 492 N ALA A 613 -3.741 4.036 -8.184 1.00 14.41 N ATOM 493 CA ALA A 613 -3.409 3.909 -6.773 1.00 34.21 C ATOM 494 C ALA A 613 -4.596 4.220 -5.856 1.00 35.04 C ATOM 495 O ALA A 613 -5.716 4.507 -6.314 1.00 43.42 O ATOM 496 CB ALA A 613 -2.184 4.746 -6.409 1.00 41.32 C ATOM 0 H ALA A 613 -3.764 3.141 -8.672 1.00 14.41 H new ATOM 0 HA ALA A 613 -3.158 2.861 -6.607 1.00 34.21 H new ATOM 0 HB1 ALA A 613 -1.965 4.627 -5.348 1.00 41.32 H new ATOM 0 HB2 ALA A 613 -1.328 4.413 -6.996 1.00 41.32 H new ATOM 0 HB3 ALA A 613 -2.384 5.796 -6.623 1.00 41.32 H new ATOM 502 N TYR A 614 -4.344 4.132 -4.584 1.00 52.32 N ATOM 503 CA TYR A 614 -5.336 4.340 -3.541 1.00 63.02 C ATOM 504 C TYR A 614 -5.297 5.760 -3.032 1.00 4.22 C ATOM 505 O TYR A 614 -4.240 6.400 -3.056 1.00 73.22 O ATOM 506 CB TYR A 614 -5.114 3.349 -2.384 1.00 33.23 C ATOM 507 CG TYR A 614 -5.377 1.910 -2.769 1.00 74.11 C ATOM 508 CD1 TYR A 614 -4.514 1.231 -3.613 1.00 24.02 C ATOM 509 CD2 TYR A 614 -6.505 1.244 -2.311 1.00 30.00 C ATOM 510 CE1 TYR A 614 -4.760 -0.059 -3.987 1.00 22.14 C ATOM 511 CE2 TYR A 614 -6.761 -0.056 -2.687 1.00 73.41 C ATOM 512 CZ TYR A 614 -5.884 -0.704 -3.527 1.00 71.01 C ATOM 513 OH TYR A 614 -6.136 -1.991 -3.928 1.00 62.44 O ATOM 0 H TYR A 614 -3.418 3.907 -4.220 1.00 52.32 H new ATOM 0 HA TYR A 614 -6.322 4.162 -3.971 1.00 63.02 H new ATOM 0 HB2 TYR A 614 -4.088 3.441 -2.028 1.00 33.23 H new ATOM 0 HB3 TYR A 614 -5.765 3.620 -1.553 1.00 33.23 H new ATOM 0 HD1 TYR A 614 -3.631 1.731 -3.982 1.00 24.02 H new ATOM 0 HD2 TYR A 614 -7.192 1.752 -1.650 1.00 30.00 H new ATOM 0 HE1 TYR A 614 -4.073 -0.572 -4.643 1.00 22.14 H new ATOM 0 HE2 TYR A 614 -7.643 -0.563 -2.325 1.00 73.41 H new ATOM 0 HH TYR A 614 -5.379 -2.324 -4.454 1.00 62.44 H new ATOM 523 N LYS A 615 -6.432 6.252 -2.593 1.00 42.10 N ATOM 524 CA LYS A 615 -6.532 7.596 -2.089 1.00 54.45 C ATOM 525 C LYS A 615 -7.110 7.646 -0.682 1.00 41.31 C ATOM 526 O LYS A 615 -8.217 7.247 -0.445 1.00 33.24 O ATOM 527 CB LYS A 615 -7.271 8.514 -3.097 1.00 54.13 C ATOM 528 CG LYS A 615 -8.675 8.071 -3.554 1.00 35.34 C ATOM 529 CD LYS A 615 -9.802 8.344 -2.554 1.00 5.02 C ATOM 530 CE LYS A 615 -9.912 9.814 -2.190 1.00 11.34 C ATOM 531 NZ LYS A 615 -11.039 10.054 -1.261 1.00 43.24 N ATOM 0 H LYS A 615 -7.309 5.731 -2.576 1.00 42.10 H new ATOM 0 HA LYS A 615 -5.522 7.993 -1.992 1.00 54.45 H new ATOM 0 HB2 LYS A 615 -7.358 9.505 -2.651 1.00 54.13 H new ATOM 0 HB3 LYS A 615 -6.644 8.617 -3.983 1.00 54.13 H new ATOM 0 HG2 LYS A 615 -8.911 8.577 -4.490 1.00 35.34 H new ATOM 0 HG3 LYS A 615 -8.650 7.002 -3.766 1.00 35.34 H new ATOM 0 HD2 LYS A 615 -10.748 8.006 -2.976 1.00 5.02 H new ATOM 0 HD3 LYS A 615 -9.630 7.761 -1.649 1.00 5.02 H new ATOM 0 HE2 LYS A 615 -8.982 10.148 -1.731 1.00 11.34 H new ATOM 0 HE3 LYS A 615 -10.051 10.406 -3.095 1.00 11.34 H new ATOM 0 HZ1 LYS A 615 -11.164 11.077 -1.124 1.00 43.24 H new ATOM 0 HZ2 LYS A 615 -11.910 9.650 -1.660 1.00 43.24 H new ATOM 0 HZ3 LYS A 615 -10.836 9.604 -0.346 1.00 43.24 H new ATOM 545 N VAL A 616 -6.330 8.103 0.235 1.00 32.14 N ATOM 546 CA VAL A 616 -6.764 8.238 1.606 1.00 63.22 C ATOM 547 C VAL A 616 -6.761 9.709 1.926 1.00 24.30 C ATOM 548 O VAL A 616 -5.729 10.339 1.836 1.00 20.45 O ATOM 549 CB VAL A 616 -5.772 7.533 2.568 1.00 50.24 C ATOM 550 CG1 VAL A 616 -6.285 7.531 4.000 1.00 23.34 C ATOM 551 CG2 VAL A 616 -5.444 6.131 2.093 1.00 51.12 C ATOM 0 H VAL A 616 -5.368 8.398 0.068 1.00 32.14 H new ATOM 0 HA VAL A 616 -7.750 7.789 1.728 1.00 63.22 H new ATOM 0 HB VAL A 616 -4.846 8.107 2.558 1.00 50.24 H new ATOM 0 HG11 VAL A 616 -5.563 7.029 4.644 1.00 23.34 H new ATOM 0 HG12 VAL A 616 -6.421 8.558 4.339 1.00 23.34 H new ATOM 0 HG13 VAL A 616 -7.239 7.005 4.044 1.00 23.34 H new ATOM 0 HG21 VAL A 616 -4.747 5.665 2.789 1.00 51.12 H new ATOM 0 HG22 VAL A 616 -6.359 5.540 2.045 1.00 51.12 H new ATOM 0 HG23 VAL A 616 -4.991 6.179 1.103 1.00 51.12 H new ATOM 557 N GLU A 617 -7.872 10.263 2.269 1.00 12.33 N ATOM 558 CA GLU A 617 -7.896 11.672 2.552 1.00 63.41 C ATOM 559 C GLU A 617 -8.232 11.962 3.990 1.00 64.32 C ATOM 560 O GLU A 617 -9.022 11.248 4.627 1.00 1.11 O ATOM 561 CB GLU A 617 -8.815 12.453 1.602 1.00 14.32 C ATOM 562 CG GLU A 617 -10.272 12.034 1.629 1.00 64.34 C ATOM 563 CD GLU A 617 -11.120 12.895 0.740 1.00 61.44 C ATOM 564 OE1 GLU A 617 -11.231 12.586 -0.472 1.00 2.34 O ATOM 565 OE2 GLU A 617 -11.679 13.895 1.227 1.00 44.41 O ATOM 0 H GLU A 617 -8.766 9.780 2.362 1.00 12.33 H new ATOM 0 HA GLU A 617 -6.880 12.024 2.375 1.00 63.41 H new ATOM 0 HB2 GLU A 617 -8.753 13.512 1.850 1.00 14.32 H new ATOM 0 HB3 GLU A 617 -8.440 12.342 0.585 1.00 14.32 H new ATOM 0 HG2 GLU A 617 -10.356 10.994 1.314 1.00 64.34 H new ATOM 0 HG3 GLU A 617 -10.646 12.089 2.651 1.00 64.34 H new ATOM 572 N THR A 618 -7.603 12.976 4.495 1.00 70.40 N ATOM 573 CA THR A 618 -7.836 13.497 5.804 1.00 12.44 C ATOM 574 C THR A 618 -8.012 14.995 5.627 1.00 61.32 C ATOM 575 O THR A 618 -7.949 15.481 4.489 1.00 31.40 O ATOM 576 CB THR A 618 -6.636 13.212 6.758 1.00 52.34 C ATOM 577 OG1 THR A 618 -5.419 13.752 6.214 1.00 30.54 O ATOM 578 CG2 THR A 618 -6.460 11.721 7.011 1.00 3.20 C ATOM 0 H THR A 618 -6.882 13.485 3.984 1.00 70.40 H new ATOM 0 HA THR A 618 -8.710 13.027 6.255 1.00 12.44 H new ATOM 0 HB THR A 618 -6.858 13.698 7.708 1.00 52.34 H new ATOM 0 HG1 THR A 618 -5.346 13.505 5.268 1.00 30.54 H new ATOM 0 HG21 THR A 618 -5.614 11.563 7.680 1.00 3.20 H new ATOM 0 HG22 THR A 618 -7.365 11.320 7.469 1.00 3.20 H new ATOM 0 HG23 THR A 618 -6.275 11.211 6.066 1.00 3.20 H new ATOM 584 N ASP A 619 -8.219 15.733 6.691 1.00 5.43 N ATOM 585 CA ASP A 619 -8.369 17.183 6.554 1.00 15.22 C ATOM 586 C ASP A 619 -7.036 17.823 6.256 1.00 20.45 C ATOM 587 O ASP A 619 -6.958 18.869 5.598 1.00 72.41 O ATOM 588 CB ASP A 619 -8.962 17.829 7.803 1.00 13.51 C ATOM 589 CG ASP A 619 -10.346 17.347 8.135 1.00 42.45 C ATOM 590 OD1 ASP A 619 -11.311 17.699 7.404 1.00 21.13 O ATOM 591 OD2 ASP A 619 -10.499 16.606 9.122 1.00 23.22 O ATOM 0 H ASP A 619 -8.288 15.376 7.644 1.00 5.43 H new ATOM 0 HA ASP A 619 -9.060 17.348 5.728 1.00 15.22 H new ATOM 0 HB2 ASP A 619 -8.305 17.631 8.650 1.00 13.51 H new ATOM 0 HB3 ASP A 619 -8.987 18.910 7.665 1.00 13.51 H new ATOM 596 N LYS A 620 -5.992 17.189 6.735 1.00 32.35 N ATOM 597 CA LYS A 620 -4.649 17.687 6.583 1.00 13.23 C ATOM 598 C LYS A 620 -4.033 17.287 5.240 1.00 62.41 C ATOM 599 O LYS A 620 -3.638 18.153 4.435 1.00 61.34 O ATOM 600 CB LYS A 620 -3.777 17.200 7.752 1.00 51.34 C ATOM 601 CG LYS A 620 -4.237 17.718 9.117 1.00 55.52 C ATOM 602 CD LYS A 620 -3.375 17.200 10.269 1.00 24.54 C ATOM 603 CE LYS A 620 -3.499 15.689 10.456 1.00 32.24 C ATOM 604 NZ LYS A 620 -2.692 15.217 11.597 1.00 2.13 N ATOM 0 H LYS A 620 -6.053 16.307 7.244 1.00 32.35 H new ATOM 0 HA LYS A 620 -4.693 18.776 6.597 1.00 13.23 H new ATOM 0 HB2 LYS A 620 -3.779 16.110 7.767 1.00 51.34 H new ATOM 0 HB3 LYS A 620 -2.747 17.514 7.582 1.00 51.34 H new ATOM 0 HG2 LYS A 620 -4.214 18.808 9.114 1.00 55.52 H new ATOM 0 HG3 LYS A 620 -5.273 17.422 9.283 1.00 55.52 H new ATOM 0 HD2 LYS A 620 -2.332 17.456 10.082 1.00 24.54 H new ATOM 0 HD3 LYS A 620 -3.666 17.703 11.191 1.00 24.54 H new ATOM 0 HE2 LYS A 620 -4.545 15.426 10.615 1.00 32.24 H new ATOM 0 HE3 LYS A 620 -3.177 15.181 9.547 1.00 32.24 H new ATOM 0 HZ1 LYS A 620 -2.799 14.187 11.696 1.00 2.13 H new ATOM 0 HZ2 LYS A 620 -1.691 15.447 11.433 1.00 2.13 H new ATOM 0 HZ3 LYS A 620 -3.016 15.684 12.468 1.00 2.13 H new ATOM 618 N TYR A 621 -3.964 15.995 4.977 1.00 63.42 N ATOM 619 CA TYR A 621 -3.297 15.512 3.779 1.00 50.53 C ATOM 620 C TYR A 621 -4.154 14.484 3.079 1.00 21.25 C ATOM 621 O TYR A 621 -5.146 14.005 3.622 1.00 21.32 O ATOM 622 CB TYR A 621 -1.981 14.794 4.143 1.00 2.44 C ATOM 623 CG TYR A 621 -1.047 15.536 5.066 1.00 12.34 C ATOM 624 CD1 TYR A 621 -0.216 16.536 4.600 1.00 2.13 C ATOM 625 CD2 TYR A 621 -0.991 15.205 6.416 1.00 62.44 C ATOM 626 CE1 TYR A 621 0.648 17.192 5.451 1.00 43.12 C ATOM 627 CE2 TYR A 621 -0.138 15.854 7.277 1.00 52.14 C ATOM 628 CZ TYR A 621 0.686 16.851 6.790 1.00 30.14 C ATOM 629 OH TYR A 621 1.553 17.510 7.640 1.00 52.50 O ATOM 0 H TYR A 621 -4.358 15.265 5.571 1.00 63.42 H new ATOM 0 HA TYR A 621 -3.113 16.378 3.144 1.00 50.53 H new ATOM 0 HB2 TYR A 621 -2.229 13.838 4.604 1.00 2.44 H new ATOM 0 HB3 TYR A 621 -1.445 14.573 3.220 1.00 2.44 H new ATOM 0 HD1 TYR A 621 -0.243 16.808 3.555 1.00 2.13 H new ATOM 0 HD2 TYR A 621 -1.631 14.422 6.796 1.00 62.44 H new ATOM 0 HE1 TYR A 621 1.294 17.971 5.072 1.00 43.12 H new ATOM 0 HE2 TYR A 621 -0.112 15.587 8.323 1.00 52.14 H new ATOM 0 HH TYR A 621 1.456 17.153 8.547 1.00 52.50 H new ATOM 639 N GLU A 622 -3.783 14.166 1.887 1.00 62.25 N ATOM 640 CA GLU A 622 -4.331 13.050 1.205 1.00 65.13 C ATOM 641 C GLU A 622 -3.195 12.178 0.760 1.00 3.43 C ATOM 642 O GLU A 622 -2.220 12.649 0.172 1.00 44.44 O ATOM 643 CB GLU A 622 -5.268 13.423 0.065 1.00 23.31 C ATOM 644 CG GLU A 622 -4.685 14.317 -0.992 1.00 24.15 C ATOM 645 CD GLU A 622 -5.672 14.563 -2.078 1.00 21.21 C ATOM 646 OE1 GLU A 622 -6.617 15.340 -1.859 1.00 23.32 O ATOM 647 OE2 GLU A 622 -5.531 13.959 -3.168 1.00 14.32 O ATOM 0 H GLU A 622 -3.082 14.681 1.354 1.00 62.25 H new ATOM 0 HA GLU A 622 -4.974 12.501 1.893 1.00 65.13 H new ATOM 0 HB2 GLU A 622 -5.614 12.506 -0.411 1.00 23.31 H new ATOM 0 HB3 GLU A 622 -6.145 13.914 0.486 1.00 23.31 H new ATOM 0 HG2 GLU A 622 -4.383 15.265 -0.547 1.00 24.15 H new ATOM 0 HG3 GLU A 622 -3.787 13.859 -1.407 1.00 24.15 H new ATOM 654 N PHE A 623 -3.312 10.939 1.037 1.00 63.12 N ATOM 655 CA PHE A 623 -2.253 10.017 0.837 1.00 64.54 C ATOM 656 C PHE A 623 -2.600 9.132 -0.322 1.00 41.04 C ATOM 657 O PHE A 623 -3.691 8.576 -0.379 1.00 54.30 O ATOM 658 CB PHE A 623 -2.097 9.157 2.097 1.00 1.21 C ATOM 659 CG PHE A 623 -2.045 9.954 3.384 1.00 52.14 C ATOM 660 CD1 PHE A 623 -0.882 10.557 3.791 1.00 44.45 C ATOM 661 CD2 PHE A 623 -3.178 10.092 4.177 1.00 12.50 C ATOM 662 CE1 PHE A 623 -0.834 11.287 4.961 1.00 2.42 C ATOM 663 CE2 PHE A 623 -3.137 10.819 5.345 1.00 12.43 C ATOM 664 CZ PHE A 623 -1.963 11.417 5.740 1.00 33.53 C ATOM 0 H PHE A 623 -4.162 10.522 1.417 1.00 63.12 H new ATOM 0 HA PHE A 623 -1.323 10.549 0.636 1.00 64.54 H new ATOM 0 HB2 PHE A 623 -2.929 8.454 2.150 1.00 1.21 H new ATOM 0 HB3 PHE A 623 -1.185 8.566 2.011 1.00 1.21 H new ATOM 0 HD1 PHE A 623 0.008 10.459 3.187 1.00 44.45 H new ATOM 0 HD2 PHE A 623 -4.102 9.623 3.873 1.00 12.50 H new ATOM 0 HE1 PHE A 623 0.089 11.757 5.266 1.00 2.42 H new ATOM 0 HE2 PHE A 623 -4.026 10.920 5.951 1.00 12.43 H new ATOM 0 HZ PHE A 623 -1.926 11.986 6.657 1.00 33.53 H new ATOM 674 N HIS A 624 -1.717 9.039 -1.264 1.00 3.43 N ATOM 675 CA HIS A 624 -1.925 8.167 -2.376 1.00 52.14 C ATOM 676 C HIS A 624 -0.915 7.063 -2.295 1.00 31.41 C ATOM 677 O HIS A 624 0.298 7.318 -2.301 1.00 14.43 O ATOM 678 CB HIS A 624 -1.863 8.923 -3.712 1.00 34.10 C ATOM 679 CG HIS A 624 -2.954 9.968 -3.871 1.00 24.21 C ATOM 680 ND1 HIS A 624 -4.088 9.770 -4.625 1.00 43.34 N ATOM 681 CD2 HIS A 624 -3.065 11.226 -3.363 1.00 52.31 C ATOM 682 CE1 HIS A 624 -4.845 10.847 -4.573 1.00 42.31 C ATOM 683 NE2 HIS A 624 -4.248 11.741 -3.818 1.00 11.53 N ATOM 0 H HIS A 624 -0.840 9.559 -1.286 1.00 3.43 H new ATOM 0 HA HIS A 624 -2.927 7.741 -2.333 1.00 52.14 H new ATOM 0 HB2 HIS A 624 -0.891 9.408 -3.800 1.00 34.10 H new ATOM 0 HB3 HIS A 624 -1.937 8.206 -4.529 1.00 34.10 H new ATOM 0 HD2 HIS A 624 -2.353 11.724 -2.721 1.00 52.31 H new ATOM 0 HE1 HIS A 624 -5.797 10.974 -5.068 1.00 42.31 H new ATOM 0 HE2 HIS A 624 -4.609 12.671 -3.605 1.00 11.53 H new ATOM 692 N ILE A 625 -1.406 5.852 -2.189 1.00 42.04 N ATOM 693 CA ILE A 625 -0.573 4.692 -1.933 1.00 21.33 C ATOM 694 C ILE A 625 -0.861 3.602 -2.952 1.00 35.45 C ATOM 695 O ILE A 625 -1.983 3.471 -3.429 1.00 22.32 O ATOM 696 CB ILE A 625 -0.891 4.120 -0.521 1.00 25.04 C ATOM 697 CG1 ILE A 625 -0.733 5.200 0.543 1.00 34.40 C ATOM 698 CG2 ILE A 625 0.000 2.920 -0.191 1.00 62.33 C ATOM 699 CD1 ILE A 625 -1.085 4.735 1.926 1.00 21.12 C ATOM 0 H ILE A 625 -2.399 5.638 -2.278 1.00 42.04 H new ATOM 0 HA ILE A 625 0.471 5.000 -1.998 1.00 21.33 H new ATOM 0 HB ILE A 625 -1.927 3.780 -0.528 1.00 25.04 H new ATOM 0 HG12 ILE A 625 0.298 5.555 0.539 1.00 34.40 H new ATOM 0 HG13 ILE A 625 -1.364 6.050 0.283 1.00 34.40 H new ATOM 0 HG21 ILE A 625 -0.248 2.545 0.802 1.00 62.33 H new ATOM 0 HG22 ILE A 625 -0.162 2.133 -0.927 1.00 62.33 H new ATOM 0 HG23 ILE A 625 1.046 3.227 -0.212 1.00 62.33 H new ATOM 0 HD11 ILE A 625 -0.949 5.555 2.631 1.00 21.12 H new ATOM 0 HD12 ILE A 625 -2.124 4.407 1.946 1.00 21.12 H new ATOM 0 HD13 ILE A 625 -0.437 3.904 2.206 1.00 21.12 H new ATOM 706 N ASN A 626 0.138 2.845 -3.285 1.00 65.34 N ATOM 707 CA ASN A 626 -0.013 1.716 -4.152 1.00 72.01 C ATOM 708 C ASN A 626 0.661 0.570 -3.443 1.00 1.14 C ATOM 709 O ASN A 626 1.515 0.813 -2.609 1.00 11.21 O ATOM 710 CB ASN A 626 0.650 1.945 -5.500 1.00 14.52 C ATOM 711 CG ASN A 626 0.034 1.091 -6.582 1.00 54.15 C ATOM 712 OD1 ASN A 626 -0.519 0.017 -6.324 1.00 3.10 O ATOM 713 ND2 ASN A 626 0.130 1.549 -7.789 1.00 62.23 N ATOM 0 H ASN A 626 1.093 2.995 -2.959 1.00 65.34 H new ATOM 0 HA ASN A 626 -1.067 1.525 -4.354 1.00 72.01 H new ATOM 0 HB2 ASN A 626 0.563 2.996 -5.774 1.00 14.52 H new ATOM 0 HB3 ASN A 626 1.714 1.723 -5.424 1.00 14.52 H new ATOM 0 HD21 ASN A 626 -0.259 1.018 -8.568 1.00 62.23 H new ATOM 0 HD22 ASN A 626 0.595 2.441 -7.961 1.00 62.23 H new ATOM 719 N VAL A 627 0.259 -0.643 -3.707 1.00 31.32 N ATOM 720 CA VAL A 627 0.845 -1.795 -3.023 1.00 24.03 C ATOM 721 C VAL A 627 2.256 -2.104 -3.549 1.00 52.33 C ATOM 722 O VAL A 627 3.131 -2.584 -2.833 1.00 63.13 O ATOM 723 CB VAL A 627 -0.068 -3.032 -3.135 1.00 71.11 C ATOM 724 CG1 VAL A 627 0.539 -4.250 -2.442 1.00 54.21 C ATOM 725 CG2 VAL A 627 -1.403 -2.704 -2.524 1.00 54.04 C ATOM 0 H VAL A 627 -0.467 -0.873 -4.385 1.00 31.32 H new ATOM 0 HA VAL A 627 0.935 -1.537 -1.968 1.00 24.03 H new ATOM 0 HB VAL A 627 -0.184 -3.284 -4.189 1.00 71.11 H new ATOM 0 HG11 VAL A 627 -0.135 -5.100 -2.544 1.00 54.21 H new ATOM 0 HG12 VAL A 627 1.498 -4.490 -2.902 1.00 54.21 H new ATOM 0 HG13 VAL A 627 0.689 -4.030 -1.385 1.00 54.21 H new ATOM 0 HG21 VAL A 627 -2.059 -3.571 -2.597 1.00 54.04 H new ATOM 0 HG22 VAL A 627 -1.268 -2.438 -1.476 1.00 54.04 H new ATOM 0 HG23 VAL A 627 -1.851 -1.865 -3.056 1.00 54.04 H new ATOM 731 N CYS A 628 2.444 -1.799 -4.780 1.00 4.54 N ATOM 732 CA CYS A 628 3.679 -2.015 -5.477 1.00 70.33 C ATOM 733 C CYS A 628 3.883 -0.917 -6.486 1.00 52.01 C ATOM 734 O CYS A 628 2.911 -0.443 -7.106 1.00 74.31 O ATOM 735 CB CYS A 628 3.653 -3.333 -6.245 1.00 61.10 C ATOM 736 SG CYS A 628 3.491 -4.841 -5.252 1.00 25.34 S ATOM 0 H CYS A 628 1.721 -1.375 -5.361 1.00 4.54 H new ATOM 0 HA CYS A 628 4.478 -2.032 -4.736 1.00 70.33 H new ATOM 0 HB2 CYS A 628 2.825 -3.300 -6.953 1.00 61.10 H new ATOM 0 HB3 CYS A 628 4.570 -3.406 -6.830 1.00 61.10 H new ATOM 741 N GLY A 629 5.115 -0.523 -6.668 1.00 53.13 N ATOM 742 CA GLY A 629 5.441 0.414 -7.703 1.00 65.51 C ATOM 743 C GLY A 629 4.969 1.822 -7.420 1.00 21.13 C ATOM 744 O GLY A 629 4.756 2.183 -6.268 1.00 1.41 O ATOM 0 H GLY A 629 5.909 -0.838 -6.111 1.00 53.13 H new ATOM 0 HA2 GLY A 629 6.522 0.424 -7.844 1.00 65.51 H new ATOM 0 HA3 GLY A 629 5.000 0.074 -8.640 1.00 65.51 H new ATOM 748 N PRO A 630 4.818 2.645 -8.464 1.00 62.03 N ATOM 749 CA PRO A 630 4.423 4.037 -8.330 1.00 35.05 C ATOM 750 C PRO A 630 2.921 4.244 -8.149 1.00 5.00 C ATOM 751 O PRO A 630 2.099 3.359 -8.449 1.00 53.50 O ATOM 752 CB PRO A 630 4.877 4.671 -9.669 1.00 73.42 C ATOM 753 CG PRO A 630 5.601 3.583 -10.402 1.00 32.24 C ATOM 754 CD PRO A 630 5.060 2.301 -9.865 1.00 5.22 C ATOM 0 HA PRO A 630 4.869 4.477 -7.438 1.00 35.05 H new ATOM 0 HB2 PRO A 630 4.023 5.030 -10.243 1.00 73.42 H new ATOM 0 HB3 PRO A 630 5.528 5.528 -9.497 1.00 73.42 H new ATOM 0 HG2 PRO A 630 5.435 3.658 -11.477 1.00 32.24 H new ATOM 0 HG3 PRO A 630 6.677 3.652 -10.240 1.00 32.24 H new ATOM 0 HD2 PRO A 630 4.146 1.997 -10.375 1.00 5.22 H new ATOM 0 HD3 PRO A 630 5.771 1.481 -9.968 1.00 5.22 H new ATOM 762 N VAL A 631 2.582 5.421 -7.688 1.00 73.24 N ATOM 763 CA VAL A 631 1.215 5.855 -7.538 1.00 61.12 C ATOM 764 C VAL A 631 0.958 6.893 -8.584 1.00 24.35 C ATOM 765 O VAL A 631 1.897 7.550 -9.051 1.00 15.33 O ATOM 766 CB VAL A 631 0.935 6.511 -6.142 1.00 64.43 C ATOM 767 CG1 VAL A 631 1.144 5.534 -5.037 1.00 54.32 C ATOM 768 CG2 VAL A 631 1.783 7.760 -5.903 1.00 1.42 C ATOM 0 H VAL A 631 3.265 6.122 -7.399 1.00 73.24 H new ATOM 0 HA VAL A 631 0.571 4.981 -7.632 1.00 61.12 H new ATOM 0 HB VAL A 631 -0.111 6.819 -6.151 1.00 64.43 H new ATOM 0 HG11 VAL A 631 0.942 6.017 -4.081 1.00 54.32 H new ATOM 0 HG12 VAL A 631 0.468 4.689 -5.166 1.00 54.32 H new ATOM 0 HG13 VAL A 631 2.175 5.180 -5.054 1.00 54.32 H new ATOM 0 HG21 VAL A 631 1.551 8.175 -4.922 1.00 1.42 H new ATOM 0 HG22 VAL A 631 2.840 7.496 -5.944 1.00 1.42 H new ATOM 0 HG23 VAL A 631 1.564 8.501 -6.672 1.00 1.42 H new ATOM 774 N SER A 632 -0.262 7.048 -8.984 1.00 30.32 N ATOM 775 CA SER A 632 -0.517 8.048 -9.950 1.00 61.51 C ATOM 776 C SER A 632 -1.284 9.178 -9.288 1.00 22.33 C ATOM 777 O SER A 632 -2.340 8.957 -8.683 1.00 34.34 O ATOM 778 CB SER A 632 -1.295 7.457 -11.119 1.00 55.44 C ATOM 779 OG SER A 632 -1.364 8.362 -12.201 1.00 43.33 O ATOM 0 H SER A 632 -1.069 6.512 -8.666 1.00 30.32 H new ATOM 0 HA SER A 632 0.420 8.441 -10.345 1.00 61.51 H new ATOM 0 HB2 SER A 632 -0.818 6.533 -11.445 1.00 55.44 H new ATOM 0 HB3 SER A 632 -2.303 7.198 -10.794 1.00 55.44 H new ATOM 0 HG SER A 632 -1.867 7.955 -12.937 1.00 43.33 H new ATOM 785 N VAL A 633 -0.749 10.376 -9.408 1.00 73.45 N ATOM 786 CA VAL A 633 -1.321 11.585 -8.835 1.00 14.51 C ATOM 787 C VAL A 633 -0.861 12.711 -9.729 1.00 13.15 C ATOM 788 O VAL A 633 0.277 12.674 -10.196 1.00 40.31 O ATOM 789 CB VAL A 633 -0.749 11.886 -7.396 1.00 12.31 C ATOM 790 CG1 VAL A 633 -1.480 13.035 -6.720 1.00 41.32 C ATOM 791 CG2 VAL A 633 -0.726 10.667 -6.499 1.00 71.40 C ATOM 0 H VAL A 633 0.118 10.544 -9.919 1.00 73.45 H new ATOM 0 HA VAL A 633 -2.403 11.477 -8.760 1.00 14.51 H new ATOM 0 HB VAL A 633 0.287 12.187 -7.552 1.00 12.31 H new ATOM 0 HG11 VAL A 633 -1.053 13.207 -5.732 1.00 41.32 H new ATOM 0 HG12 VAL A 633 -1.376 13.937 -7.323 1.00 41.32 H new ATOM 0 HG13 VAL A 633 -2.536 12.786 -6.620 1.00 41.32 H new ATOM 0 HG21 VAL A 633 -0.322 10.940 -5.524 1.00 71.40 H new ATOM 0 HG22 VAL A 633 -1.740 10.285 -6.378 1.00 71.40 H new ATOM 0 HG23 VAL A 633 -0.100 9.896 -6.948 1.00 71.40 H new ATOM 797 N GLY A 634 -1.697 13.694 -9.967 1.00 41.21 N ATOM 798 CA GLY A 634 -1.299 14.799 -10.824 1.00 54.42 C ATOM 799 C GLY A 634 -0.183 15.632 -10.206 1.00 4.42 C ATOM 800 O GLY A 634 0.671 16.180 -10.916 1.00 40.12 O ATOM 0 H GLY A 634 -2.642 13.757 -9.589 1.00 41.21 H new ATOM 0 HA2 GLY A 634 -0.969 14.409 -11.787 1.00 54.42 H new ATOM 0 HA3 GLY A 634 -2.162 15.436 -11.017 1.00 54.42 H new ATOM 804 N ALA A 635 -0.170 15.683 -8.888 1.00 44.44 N ATOM 805 CA ALA A 635 0.786 16.488 -8.138 1.00 61.23 C ATOM 806 C ALA A 635 2.033 15.688 -7.710 1.00 35.21 C ATOM 807 O ALA A 635 2.923 16.226 -7.047 1.00 52.45 O ATOM 808 CB ALA A 635 0.098 17.079 -6.918 1.00 70.11 C ATOM 0 H ALA A 635 -0.824 15.166 -8.301 1.00 44.44 H new ATOM 0 HA ALA A 635 1.135 17.283 -8.797 1.00 61.23 H new ATOM 0 HB1 ALA A 635 0.810 17.682 -6.355 1.00 70.11 H new ATOM 0 HB2 ALA A 635 -0.735 17.706 -7.238 1.00 70.11 H new ATOM 0 HB3 ALA A 635 -0.276 16.274 -6.285 1.00 70.11 H new ATOM 814 N CYS A 636 2.117 14.440 -8.105 1.00 42.31 N ATOM 815 CA CYS A 636 3.240 13.604 -7.690 1.00 50.33 C ATOM 816 C CYS A 636 3.915 12.995 -8.914 1.00 32.01 C ATOM 817 O CYS A 636 3.256 12.784 -9.944 1.00 42.14 O ATOM 818 CB CYS A 636 2.760 12.508 -6.729 1.00 33.21 C ATOM 819 SG CYS A 636 1.862 13.153 -5.268 1.00 64.14 S ATOM 0 H CYS A 636 1.435 13.977 -8.706 1.00 42.31 H new ATOM 0 HA CYS A 636 3.969 14.221 -7.165 1.00 50.33 H new ATOM 0 HB2 CYS A 636 2.109 11.821 -7.271 1.00 33.21 H new ATOM 0 HB3 CYS A 636 3.621 11.931 -6.390 1.00 33.21 H new ATOM 824 N PRO A 637 5.233 12.707 -8.839 1.00 3.12 N ATOM 825 CA PRO A 637 5.973 12.171 -9.976 1.00 3.04 C ATOM 826 C PRO A 637 5.595 10.707 -10.278 1.00 51.54 C ATOM 827 O PRO A 637 5.167 9.974 -9.386 1.00 41.34 O ATOM 828 CB PRO A 637 7.439 12.270 -9.526 1.00 75.33 C ATOM 829 CG PRO A 637 7.387 12.199 -8.043 1.00 4.12 C ATOM 830 CD PRO A 637 6.097 12.862 -7.637 1.00 12.13 C ATOM 0 HA PRO A 637 5.761 12.715 -10.897 1.00 3.04 H new ATOM 0 HB2 PRO A 637 8.036 11.457 -9.940 1.00 75.33 H new ATOM 0 HB3 PRO A 637 7.894 13.202 -9.862 1.00 75.33 H new ATOM 0 HG2 PRO A 637 7.418 11.164 -7.701 1.00 4.12 H new ATOM 0 HG3 PRO A 637 8.243 12.707 -7.598 1.00 4.12 H new ATOM 0 HD2 PRO A 637 5.657 12.383 -6.762 1.00 12.13 H new ATOM 0 HD3 PRO A 637 6.248 13.911 -7.384 1.00 12.13 H new ATOM 838 N PRO A 638 5.779 10.249 -11.534 1.00 21.20 N ATOM 839 CA PRO A 638 5.446 8.865 -11.951 1.00 1.41 C ATOM 840 C PRO A 638 6.425 7.815 -11.389 1.00 32.10 C ATOM 841 O PRO A 638 6.485 6.686 -11.879 1.00 43.42 O ATOM 842 CB PRO A 638 5.570 8.917 -13.490 1.00 51.33 C ATOM 843 CG PRO A 638 5.657 10.365 -13.834 1.00 21.10 C ATOM 844 CD PRO A 638 6.303 11.026 -12.662 1.00 34.31 C ATOM 0 HA PRO A 638 4.464 8.566 -11.585 1.00 1.41 H new ATOM 0 HB2 PRO A 638 6.455 8.379 -13.831 1.00 51.33 H new ATOM 0 HB3 PRO A 638 4.709 8.451 -13.969 1.00 51.33 H new ATOM 0 HG2 PRO A 638 6.244 10.517 -14.740 1.00 21.10 H new ATOM 0 HG3 PRO A 638 4.668 10.782 -14.021 1.00 21.10 H new ATOM 0 HD2 PRO A 638 7.391 10.979 -12.717 1.00 34.31 H new ATOM 0 HD3 PRO A 638 6.033 12.080 -12.590 1.00 34.31 H new ATOM 852 N ASP A 639 7.170 8.189 -10.363 1.00 32.11 N ATOM 853 CA ASP A 639 8.143 7.301 -9.745 1.00 35.24 C ATOM 854 C ASP A 639 7.973 7.294 -8.213 1.00 54.31 C ATOM 855 O ASP A 639 8.703 6.612 -7.481 1.00 30.14 O ATOM 856 CB ASP A 639 9.573 7.696 -10.164 1.00 34.22 C ATOM 857 CG ASP A 639 10.656 6.773 -9.623 1.00 64.33 C ATOM 858 OD1 ASP A 639 10.773 5.626 -10.095 1.00 25.22 O ATOM 859 OD2 ASP A 639 11.403 7.186 -8.733 1.00 53.32 O ATOM 0 H ASP A 639 7.119 9.113 -9.935 1.00 32.11 H new ATOM 0 HA ASP A 639 7.968 6.284 -10.096 1.00 35.24 H new ATOM 0 HB2 ASP A 639 9.631 7.708 -11.252 1.00 34.22 H new ATOM 0 HB3 ASP A 639 9.773 8.712 -9.823 1.00 34.22 H new ATOM 864 N SER A 640 6.990 8.021 -7.722 1.00 42.44 N ATOM 865 CA SER A 640 6.703 7.996 -6.302 1.00 32.41 C ATOM 866 C SER A 640 5.733 6.858 -6.019 1.00 21.43 C ATOM 867 O SER A 640 4.715 6.751 -6.690 1.00 71.14 O ATOM 868 CB SER A 640 6.123 9.343 -5.839 1.00 71.22 C ATOM 869 OG SER A 640 4.971 9.708 -6.587 1.00 53.54 O ATOM 0 H SER A 640 6.385 8.628 -8.275 1.00 42.44 H new ATOM 0 HA SER A 640 7.625 7.832 -5.745 1.00 32.41 H new ATOM 0 HB2 SER A 640 5.866 9.283 -4.782 1.00 71.22 H new ATOM 0 HB3 SER A 640 6.882 10.119 -5.939 1.00 71.22 H new ATOM 0 HG SER A 640 5.229 9.900 -7.513 1.00 53.54 H new ATOM 875 N GLY A 641 6.050 6.014 -5.049 1.00 63.54 N ATOM 876 CA GLY A 641 5.193 4.868 -4.760 1.00 62.21 C ATOM 877 C GLY A 641 4.262 5.135 -3.614 1.00 43.23 C ATOM 878 O GLY A 641 3.393 4.328 -3.288 1.00 23.22 O ATOM 0 H GLY A 641 6.877 6.095 -4.457 1.00 63.54 H new ATOM 0 HA2 GLY A 641 4.612 4.617 -5.648 1.00 62.21 H new ATOM 0 HA3 GLY A 641 5.813 4.001 -4.529 1.00 62.21 H new ATOM 882 N ALA A 642 4.459 6.258 -3.003 1.00 30.34 N ATOM 883 CA ALA A 642 3.621 6.749 -1.960 1.00 54.50 C ATOM 884 C ALA A 642 3.795 8.241 -1.938 1.00 52.51 C ATOM 885 O ALA A 642 4.923 8.726 -1.909 1.00 14.44 O ATOM 886 CB ALA A 642 4.002 6.130 -0.619 1.00 44.22 C ATOM 0 H ALA A 642 5.236 6.880 -3.225 1.00 30.34 H new ATOM 0 HA ALA A 642 2.579 6.484 -2.137 1.00 54.50 H new ATOM 0 HB1 ALA A 642 3.348 6.520 0.161 1.00 44.22 H new ATOM 0 HB2 ALA A 642 3.894 5.047 -0.674 1.00 44.22 H new ATOM 0 HB3 ALA A 642 5.037 6.380 -0.384 1.00 44.22 H new ATOM 892 N CYS A 643 2.729 8.970 -1.999 1.00 22.14 N ATOM 893 CA CYS A 643 2.825 10.416 -2.047 1.00 45.52 C ATOM 894 C CYS A 643 1.687 11.050 -1.290 1.00 15.43 C ATOM 895 O CYS A 643 0.531 10.608 -1.405 1.00 45.23 O ATOM 896 CB CYS A 643 2.826 10.894 -3.501 1.00 35.32 C ATOM 897 SG CYS A 643 3.064 12.692 -3.708 1.00 23.42 S ATOM 0 H CYS A 643 1.778 8.602 -2.017 1.00 22.14 H new ATOM 0 HA CYS A 643 3.760 10.717 -1.575 1.00 45.52 H new ATOM 0 HB2 CYS A 643 3.615 10.371 -4.041 1.00 35.32 H new ATOM 0 HB3 CYS A 643 1.881 10.610 -3.964 1.00 35.32 H new ATOM 902 N GLN A 644 1.992 12.055 -0.502 1.00 45.22 N ATOM 903 CA GLN A 644 0.973 12.752 0.217 1.00 5.42 C ATOM 904 C GLN A 644 0.845 14.164 -0.303 1.00 75.00 C ATOM 905 O GLN A 644 1.851 14.870 -0.501 1.00 13.12 O ATOM 906 CB GLN A 644 1.223 12.763 1.727 1.00 3.40 C ATOM 907 CG GLN A 644 2.470 13.480 2.175 1.00 21.10 C ATOM 908 CD GLN A 644 2.563 13.530 3.675 1.00 32.22 C ATOM 909 OE1 GLN A 644 2.096 12.644 4.350 1.00 14.42 O ATOM 910 NE2 GLN A 644 3.138 14.578 4.204 1.00 14.42 N ATOM 0 H GLN A 644 2.939 12.401 -0.348 1.00 45.22 H new ATOM 0 HA GLN A 644 0.038 12.216 0.053 1.00 5.42 H new ATOM 0 HB2 GLN A 644 0.365 13.224 2.216 1.00 3.40 H new ATOM 0 HB3 GLN A 644 1.273 11.732 2.076 1.00 3.40 H new ATOM 0 HG2 GLN A 644 3.347 12.975 1.771 1.00 21.10 H new ATOM 0 HG3 GLN A 644 2.473 14.494 1.774 1.00 21.10 H new ATOM 0 HE21 GLN A 644 3.522 15.307 3.603 1.00 14.42 H new ATOM 0 HE22 GLN A 644 3.203 14.667 5.218 1.00 14.42 H new ATOM 918 N VAL A 645 -0.357 14.565 -0.535 1.00 52.32 N ATOM 919 CA VAL A 645 -0.637 15.887 -0.999 1.00 0.24 C ATOM 920 C VAL A 645 -1.307 16.635 0.129 1.00 31.43 C ATOM 921 O VAL A 645 -2.252 16.131 0.739 1.00 52.31 O ATOM 922 CB VAL A 645 -1.572 15.872 -2.245 1.00 53.53 C ATOM 923 CG1 VAL A 645 -1.829 17.284 -2.756 1.00 13.21 C ATOM 924 CG2 VAL A 645 -0.990 15.004 -3.353 1.00 73.11 C ATOM 0 H VAL A 645 -1.184 13.982 -0.408 1.00 52.32 H new ATOM 0 HA VAL A 645 0.294 16.370 -1.297 1.00 0.24 H new ATOM 0 HB VAL A 645 -2.525 15.443 -1.937 1.00 53.53 H new ATOM 0 HG11 VAL A 645 -2.484 17.242 -3.626 1.00 13.21 H new ATOM 0 HG12 VAL A 645 -2.304 17.874 -1.972 1.00 13.21 H new ATOM 0 HG13 VAL A 645 -0.883 17.747 -3.036 1.00 13.21 H new ATOM 0 HG21 VAL A 645 -1.662 15.011 -4.211 1.00 73.11 H new ATOM 0 HG22 VAL A 645 -0.018 15.397 -3.650 1.00 73.11 H new ATOM 0 HG23 VAL A 645 -0.873 13.982 -2.991 1.00 73.11 H new ATOM 930 N SER A 646 -0.809 17.792 0.436 1.00 1.40 N ATOM 931 CA SER A 646 -1.374 18.579 1.477 1.00 2.11 C ATOM 932 C SER A 646 -2.612 19.267 0.969 1.00 73.50 C ATOM 933 O SER A 646 -2.650 19.764 -0.161 1.00 73.12 O ATOM 934 CB SER A 646 -0.367 19.613 1.974 1.00 4.50 C ATOM 935 OG SER A 646 -0.922 20.434 2.982 1.00 53.31 O ATOM 0 H SER A 646 -0.004 18.212 -0.028 1.00 1.40 H new ATOM 0 HA SER A 646 -1.636 17.928 2.311 1.00 2.11 H new ATOM 0 HB2 SER A 646 0.516 19.105 2.362 1.00 4.50 H new ATOM 0 HB3 SER A 646 -0.038 20.232 1.139 1.00 4.50 H new ATOM 0 HG SER A 646 -0.252 20.594 3.679 1.00 53.31 H new ATOM 941 N ARG A 647 -3.600 19.307 1.794 1.00 3.23 N ATOM 942 CA ARG A 647 -4.834 19.939 1.449 1.00 53.13 C ATOM 943 C ARG A 647 -4.885 21.309 2.082 1.00 42.31 C ATOM 944 O ARG A 647 -5.444 22.248 1.523 1.00 21.30 O ATOM 945 CB ARG A 647 -5.990 19.040 1.879 1.00 3.34 C ATOM 946 CG ARG A 647 -5.953 17.702 1.150 1.00 30.42 C ATOM 947 CD ARG A 647 -6.956 16.699 1.675 1.00 1.33 C ATOM 948 NE ARG A 647 -8.339 17.155 1.591 1.00 13.41 N ATOM 949 CZ ARG A 647 -9.251 16.631 0.771 1.00 64.42 C ATOM 950 NH1 ARG A 647 -8.878 15.841 -0.247 1.00 63.22 N ATOM 951 NH2 ARG A 647 -10.525 16.943 0.922 1.00 43.30 N ATOM 0 H ARG A 647 -3.579 18.903 2.730 1.00 3.23 H new ATOM 0 HA ARG A 647 -4.917 20.081 0.371 1.00 53.13 H new ATOM 0 HB2 ARG A 647 -5.942 18.872 2.955 1.00 3.34 H new ATOM 0 HB3 ARG A 647 -6.937 19.540 1.677 1.00 3.34 H new ATOM 0 HG2 ARG A 647 -6.141 17.870 0.090 1.00 30.42 H new ATOM 0 HG3 ARG A 647 -4.952 17.280 1.233 1.00 30.42 H new ATOM 0 HD2 ARG A 647 -6.854 15.769 1.115 1.00 1.33 H new ATOM 0 HD3 ARG A 647 -6.720 16.472 2.715 1.00 1.33 H new ATOM 0 HE ARG A 647 -8.627 17.923 2.198 1.00 13.41 H new ATOM 0 HH11 ARG A 647 -7.890 15.637 -0.399 1.00 63.22 H new ATOM 0 HH12 ARG A 647 -9.582 15.444 -0.869 1.00 63.22 H new ATOM 0 HH21 ARG A 647 -10.809 17.583 1.664 1.00 43.30 H new ATOM 0 HH22 ARG A 647 -11.225 16.544 0.297 1.00 43.30 H new ATOM 963 N SER A 648 -4.253 21.431 3.226 1.00 24.45 N ATOM 964 CA SER A 648 -4.210 22.684 3.922 1.00 70.00 C ATOM 965 C SER A 648 -3.093 23.596 3.366 1.00 25.43 C ATOM 966 O SER A 648 -3.307 24.792 3.150 1.00 32.11 O ATOM 967 CB SER A 648 -4.005 22.416 5.425 1.00 21.11 C ATOM 968 OG SER A 648 -3.963 23.611 6.193 1.00 30.41 O ATOM 0 H SER A 648 -3.760 20.669 3.692 1.00 24.45 H new ATOM 0 HA SER A 648 -5.154 23.207 3.773 1.00 70.00 H new ATOM 0 HB2 SER A 648 -4.813 21.782 5.791 1.00 21.11 H new ATOM 0 HB3 SER A 648 -3.076 21.864 5.568 1.00 21.11 H new ATOM 0 HG SER A 648 -3.833 23.388 7.138 1.00 30.41 H new ATOM 974 N ASP A 649 -1.926 23.024 3.084 1.00 44.55 N ATOM 975 CA ASP A 649 -0.787 23.836 2.648 1.00 23.44 C ATOM 976 C ASP A 649 -0.497 23.661 1.146 1.00 5.01 C ATOM 977 O ASP A 649 0.297 24.389 0.565 1.00 30.44 O ATOM 978 CB ASP A 649 0.442 23.516 3.516 1.00 73.04 C ATOM 979 CG ASP A 649 1.607 24.451 3.279 1.00 74.41 C ATOM 980 OD1 ASP A 649 1.468 25.666 3.553 1.00 21.23 O ATOM 981 OD2 ASP A 649 2.682 23.993 2.872 1.00 4.34 O ATOM 0 H ASP A 649 -1.742 22.023 3.147 1.00 44.55 H new ATOM 0 HA ASP A 649 -1.039 24.888 2.784 1.00 23.44 H new ATOM 0 HB2 ASP A 649 0.157 23.563 4.567 1.00 73.04 H new ATOM 0 HB3 ASP A 649 0.761 22.493 3.317 1.00 73.04 H new ATOM 986 N ARG A 650 -1.164 22.685 0.533 1.00 62.40 N ATOM 987 CA ARG A 650 -1.062 22.391 -0.926 1.00 40.51 C ATOM 988 C ARG A 650 0.330 22.000 -1.410 1.00 71.53 C ATOM 989 O ARG A 650 0.628 22.098 -2.602 1.00 40.23 O ATOM 990 CB ARG A 650 -1.614 23.543 -1.774 1.00 44.41 C ATOM 991 CG ARG A 650 -3.121 23.636 -1.795 1.00 23.20 C ATOM 992 CD ARG A 650 -3.727 22.412 -2.482 1.00 63.40 C ATOM 993 NE ARG A 650 -5.178 22.506 -2.595 1.00 35.22 N ATOM 994 CZ ARG A 650 -5.992 21.510 -2.960 1.00 40.23 C ATOM 995 NH1 ARG A 650 -5.500 20.316 -3.263 1.00 1.43 N ATOM 996 NH2 ARG A 650 -7.298 21.724 -3.028 1.00 44.04 N ATOM 0 H ARG A 650 -1.802 22.060 1.026 1.00 62.40 H new ATOM 0 HA ARG A 650 -1.682 21.505 -1.064 1.00 40.51 H new ATOM 0 HB2 ARG A 650 -1.209 24.482 -1.396 1.00 44.41 H new ATOM 0 HB3 ARG A 650 -1.255 23.430 -2.797 1.00 44.41 H new ATOM 0 HG2 ARG A 650 -3.500 23.712 -0.776 1.00 23.20 H new ATOM 0 HG3 ARG A 650 -3.427 24.542 -2.318 1.00 23.20 H new ATOM 0 HD2 ARG A 650 -3.293 22.303 -3.476 1.00 63.40 H new ATOM 0 HD3 ARG A 650 -3.465 21.515 -1.920 1.00 63.40 H new ATOM 0 HE ARG A 650 -5.607 23.405 -2.378 1.00 35.22 H new ATOM 0 HH11 ARG A 650 -4.494 20.153 -3.218 1.00 1.43 H new ATOM 0 HH12 ARG A 650 -6.128 19.561 -3.541 1.00 1.43 H new ATOM 0 HH21 ARG A 650 -7.676 22.644 -2.803 1.00 44.04 H new ATOM 0 HH22 ARG A 650 -7.925 20.969 -3.306 1.00 44.04 H new ATOM 1008 N LYS A 651 1.151 21.502 -0.531 1.00 14.24 N ATOM 1009 CA LYS A 651 2.409 20.950 -0.955 1.00 32.44 C ATOM 1010 C LYS A 651 2.278 19.471 -1.163 1.00 25.31 C ATOM 1011 O LYS A 651 1.216 18.894 -0.944 1.00 14.15 O ATOM 1012 CB LYS A 651 3.532 21.228 0.014 1.00 55.31 C ATOM 1013 CG LYS A 651 3.968 22.669 0.078 1.00 71.35 C ATOM 1014 CD LYS A 651 5.172 22.822 0.985 1.00 5.25 C ATOM 1015 CE LYS A 651 6.368 21.994 0.508 1.00 40.23 C ATOM 1016 NZ LYS A 651 6.859 22.403 -0.830 1.00 52.42 N ATOM 0 H LYS A 651 0.977 21.466 0.473 1.00 14.24 H new ATOM 0 HA LYS A 651 2.666 21.442 -1.893 1.00 32.44 H new ATOM 0 HB2 LYS A 651 3.221 20.913 1.010 1.00 55.31 H new ATOM 0 HB3 LYS A 651 4.390 20.615 -0.261 1.00 55.31 H new ATOM 0 HG2 LYS A 651 4.212 23.025 -0.923 1.00 71.35 H new ATOM 0 HG3 LYS A 651 3.148 23.287 0.445 1.00 71.35 H new ATOM 0 HD2 LYS A 651 5.457 23.873 1.033 1.00 5.25 H new ATOM 0 HD3 LYS A 651 4.903 22.518 1.997 1.00 5.25 H new ATOM 0 HE2 LYS A 651 7.179 22.087 1.231 1.00 40.23 H new ATOM 0 HE3 LYS A 651 6.086 20.942 0.479 1.00 40.23 H new ATOM 0 HZ1 LYS A 651 7.709 21.854 -1.070 1.00 52.42 H new ATOM 0 HZ2 LYS A 651 6.120 22.226 -1.540 1.00 52.42 H new ATOM 0 HZ3 LYS A 651 7.093 23.416 -0.819 1.00 52.42 H new ATOM 1030 N SER A 652 3.329 18.863 -1.582 1.00 31.21 N ATOM 1031 CA SER A 652 3.345 17.447 -1.814 1.00 13.53 C ATOM 1032 C SER A 652 4.686 16.895 -1.383 1.00 55.20 C ATOM 1033 O SER A 652 5.708 17.565 -1.528 1.00 21.31 O ATOM 1034 CB SER A 652 3.083 17.160 -3.297 1.00 73.43 C ATOM 1035 OG SER A 652 1.842 17.738 -3.706 1.00 61.34 O ATOM 0 H SER A 652 4.214 19.330 -1.778 1.00 31.21 H new ATOM 0 HA SER A 652 2.560 16.962 -1.234 1.00 13.53 H new ATOM 0 HB2 SER A 652 3.896 17.564 -3.901 1.00 73.43 H new ATOM 0 HB3 SER A 652 3.064 16.084 -3.467 1.00 73.43 H new ATOM 0 HG SER A 652 1.377 17.121 -4.309 1.00 61.34 H new ATOM 1041 N TRP A 653 4.680 15.728 -0.819 1.00 32.24 N ATOM 1042 CA TRP A 653 5.894 15.094 -0.367 1.00 64.35 C ATOM 1043 C TRP A 653 5.812 13.642 -0.707 1.00 20.45 C ATOM 1044 O TRP A 653 4.716 13.066 -0.709 1.00 51.42 O ATOM 1045 CB TRP A 653 6.063 15.216 1.164 1.00 50.32 C ATOM 1046 CG TRP A 653 6.099 16.617 1.707 1.00 71.35 C ATOM 1047 CD1 TRP A 653 7.191 17.419 1.864 1.00 51.24 C ATOM 1048 CD2 TRP A 653 4.984 17.363 2.188 1.00 21.54 C ATOM 1049 NE1 TRP A 653 6.813 18.619 2.416 1.00 12.44 N ATOM 1050 CE2 TRP A 653 5.461 18.605 2.624 1.00 62.55 C ATOM 1051 CE3 TRP A 653 3.633 17.093 2.286 1.00 53.20 C ATOM 1052 CZ2 TRP A 653 4.618 19.579 3.156 1.00 11.33 C ATOM 1053 CZ3 TRP A 653 2.799 18.035 2.807 1.00 73.11 C ATOM 1054 CH2 TRP A 653 3.285 19.273 3.241 1.00 53.40 C ATOM 0 H TRP A 653 3.835 15.181 -0.655 1.00 32.24 H new ATOM 0 HA TRP A 653 6.740 15.582 -0.851 1.00 64.35 H new ATOM 0 HB2 TRP A 653 5.244 14.681 1.645 1.00 50.32 H new ATOM 0 HB3 TRP A 653 6.986 14.711 1.450 1.00 50.32 H new ATOM 0 HD1 TRP A 653 8.202 17.151 1.595 1.00 51.24 H new ATOM 0 HE1 TRP A 653 7.439 19.394 2.635 1.00 12.44 H new ATOM 0 HE3 TRP A 653 3.242 16.143 1.952 1.00 53.20 H new ATOM 0 HZ2 TRP A 653 4.999 20.534 3.487 1.00 11.33 H new ATOM 0 HZ3 TRP A 653 1.743 17.823 2.887 1.00 73.11 H new ATOM 0 HH2 TRP A 653 2.598 19.999 3.650 1.00 53.40 H new ATOM 1065 N ASN A 654 6.924 13.029 -0.963 1.00 51.20 N ATOM 1066 CA ASN A 654 6.908 11.630 -1.254 1.00 71.24 C ATOM 1067 C ASN A 654 6.976 10.863 0.010 1.00 63.24 C ATOM 1068 O ASN A 654 7.867 11.079 0.840 1.00 41.51 O ATOM 1069 CB ASN A 654 8.056 11.191 -2.180 1.00 3.20 C ATOM 1070 CG ASN A 654 7.926 11.697 -3.596 1.00 2.04 C ATOM 1071 OD1 ASN A 654 6.837 11.924 -4.085 1.00 70.34 O ATOM 1072 ND2 ASN A 654 9.032 11.861 -4.265 1.00 20.10 N ATOM 0 H ASN A 654 7.845 13.468 -0.977 1.00 51.20 H new ATOM 0 HA ASN A 654 5.977 11.427 -1.783 1.00 71.24 H new ATOM 0 HB2 ASN A 654 9.000 11.543 -1.764 1.00 3.20 H new ATOM 0 HB3 ASN A 654 8.101 10.102 -2.196 1.00 3.20 H new ATOM 0 HD21 ASN A 654 9.000 12.189 -5.230 1.00 20.10 H new ATOM 0 HD22 ASN A 654 9.929 11.661 -3.824 1.00 20.10 H new ATOM 1078 N LEU A 655 6.034 9.977 0.178 1.00 24.34 N ATOM 1079 CA LEU A 655 5.989 9.095 1.312 1.00 75.21 C ATOM 1080 C LEU A 655 6.880 7.896 1.089 1.00 44.04 C ATOM 1081 O LEU A 655 7.088 7.072 1.974 1.00 32.34 O ATOM 1082 CB LEU A 655 4.581 8.728 1.697 1.00 73.42 C ATOM 1083 CG LEU A 655 3.791 9.820 2.389 1.00 0.54 C ATOM 1084 CD1 LEU A 655 2.356 9.404 2.544 1.00 3.45 C ATOM 1085 CD2 LEU A 655 4.363 10.111 3.761 1.00 53.42 C ATOM 0 H LEU A 655 5.264 9.845 -0.478 1.00 24.34 H new ATOM 0 HA LEU A 655 6.387 9.632 2.173 1.00 75.21 H new ATOM 0 HB2 LEU A 655 4.043 8.428 0.798 1.00 73.42 H new ATOM 0 HB3 LEU A 655 4.617 7.858 2.352 1.00 73.42 H new ATOM 0 HG LEU A 655 3.854 10.718 1.774 1.00 0.54 H new ATOM 0 HD11 LEU A 655 1.799 10.197 3.043 1.00 3.45 H new ATOM 0 HD12 LEU A 655 1.923 9.219 1.561 1.00 3.45 H new ATOM 0 HD13 LEU A 655 2.304 8.493 3.141 1.00 3.45 H new ATOM 0 HD21 LEU A 655 3.780 10.898 4.239 1.00 53.42 H new ATOM 0 HD22 LEU A 655 4.323 9.208 4.371 1.00 53.42 H new ATOM 0 HD23 LEU A 655 5.399 10.436 3.662 1.00 53.42 H new ATOM 1093 N GLY A 656 7.449 7.865 -0.070 1.00 11.42 N ATOM 1094 CA GLY A 656 8.416 6.910 -0.396 1.00 44.21 C ATOM 1095 C GLY A 656 8.504 6.733 -1.864 1.00 52.33 C ATOM 1096 O GLY A 656 7.533 7.005 -2.603 1.00 11.24 O ATOM 0 H GLY A 656 7.240 8.522 -0.821 1.00 11.42 H new ATOM 0 HA2 GLY A 656 9.385 7.218 -0.003 1.00 44.21 H new ATOM 0 HA3 GLY A 656 8.168 5.959 0.076 1.00 44.21 H new ATOM 1100 N ARG A 657 9.630 6.322 -2.304 1.00 0.20 N ATOM 1101 CA ARG A 657 9.866 6.117 -3.681 1.00 74.02 C ATOM 1102 C ARG A 657 9.396 4.707 -4.011 1.00 24.34 C ATOM 1103 O ARG A 657 9.416 3.846 -3.136 1.00 34.44 O ATOM 1104 CB ARG A 657 11.344 6.300 -3.980 1.00 42.33 C ATOM 1105 CG ARG A 657 11.667 6.316 -5.448 1.00 33.23 C ATOM 1106 CD ARG A 657 13.120 6.606 -5.673 1.00 0.00 C ATOM 1107 NE ARG A 657 13.424 6.727 -7.085 1.00 51.55 N ATOM 1108 CZ ARG A 657 14.618 6.998 -7.580 1.00 64.22 C ATOM 1109 NH1 ARG A 657 15.635 7.254 -6.766 1.00 51.03 N ATOM 1110 NH2 ARG A 657 14.788 7.044 -8.891 1.00 14.21 N ATOM 0 H ARG A 657 10.430 6.114 -1.707 1.00 0.20 H new ATOM 0 HA ARG A 657 9.324 6.837 -4.294 1.00 74.02 H new ATOM 0 HB2 ARG A 657 11.683 7.234 -3.532 1.00 42.33 H new ATOM 0 HB3 ARG A 657 11.904 5.496 -3.503 1.00 42.33 H new ATOM 0 HG2 ARG A 657 11.411 5.354 -5.891 1.00 33.23 H new ATOM 0 HG3 ARG A 657 11.060 7.069 -5.950 1.00 33.23 H new ATOM 0 HD2 ARG A 657 13.392 7.529 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 657 13.723 5.810 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 657 12.659 6.593 -7.746 1.00 51.55 H new ATOM 0 HH11 ARG A 657 15.495 7.242 -5.756 1.00 51.03 H new ATOM 0 HH12 ARG A 657 16.556 7.463 -7.151 1.00 51.03 H new ATOM 0 HH21 ARG A 657 13.999 6.871 -9.514 1.00 14.21 H new ATOM 0 HH22 ARG A 657 15.708 7.253 -9.279 1.00 14.21 H new ATOM 1122 N SER A 658 8.938 4.501 -5.231 1.00 44.34 N ATOM 1123 CA SER A 658 8.366 3.227 -5.668 1.00 51.25 C ATOM 1124 C SER A 658 9.231 2.022 -5.310 1.00 74.10 C ATOM 1125 O SER A 658 10.447 2.007 -5.556 1.00 31.12 O ATOM 1126 CB SER A 658 8.148 3.271 -7.156 1.00 35.12 C ATOM 1127 OG SER A 658 7.332 4.359 -7.494 1.00 33.20 O ATOM 0 H SER A 658 8.949 5.216 -5.959 1.00 44.34 H new ATOM 0 HA SER A 658 7.422 3.099 -5.139 1.00 51.25 H new ATOM 0 HB2 SER A 658 9.106 3.353 -7.669 1.00 35.12 H new ATOM 0 HB3 SER A 658 7.685 2.342 -7.491 1.00 35.12 H new ATOM 0 HG SER A 658 7.715 5.182 -7.126 1.00 33.20 H new ATOM 1133 N ASN A 659 8.595 1.032 -4.720 1.00 51.55 N ATOM 1134 CA ASN A 659 9.239 -0.200 -4.352 1.00 42.31 C ATOM 1135 C ASN A 659 8.182 -1.276 -4.181 1.00 20.11 C ATOM 1136 O ASN A 659 6.994 -0.969 -4.197 1.00 3.44 O ATOM 1137 CB ASN A 659 10.149 -0.040 -3.081 1.00 62.42 C ATOM 1138 CG ASN A 659 9.466 0.355 -1.748 1.00 12.15 C ATOM 1139 OD1 ASN A 659 10.078 1.035 -0.915 1.00 34.14 O ATOM 1140 ND2 ASN A 659 8.244 -0.070 -1.509 1.00 15.01 N ATOM 0 H ASN A 659 7.604 1.066 -4.482 1.00 51.55 H new ATOM 0 HA ASN A 659 9.917 -0.500 -5.151 1.00 42.31 H new ATOM 0 HB2 ASN A 659 10.672 -0.983 -2.923 1.00 62.42 H new ATOM 0 HB3 ASN A 659 10.907 0.711 -3.304 1.00 62.42 H new ATOM 0 HD21 ASN A 659 7.787 0.160 -0.626 1.00 15.01 H new ATOM 0 HD22 ASN A 659 7.753 -0.630 -2.206 1.00 15.01 H new ATOM 1146 N ALA A 660 8.591 -2.508 -4.022 1.00 24.04 N ATOM 1147 CA ALA A 660 7.651 -3.613 -3.853 1.00 0.21 C ATOM 1148 C ALA A 660 7.976 -4.385 -2.586 1.00 14.55 C ATOM 1149 O ALA A 660 7.589 -5.555 -2.429 1.00 43.30 O ATOM 1150 CB ALA A 660 7.717 -4.526 -5.067 1.00 65.44 C ATOM 0 H ALA A 660 9.573 -2.784 -4.004 1.00 24.04 H new ATOM 0 HA ALA A 660 6.639 -3.218 -3.763 1.00 0.21 H new ATOM 0 HB1 ALA A 660 7.015 -5.351 -4.941 1.00 65.44 H new ATOM 0 HB2 ALA A 660 7.456 -3.961 -5.962 1.00 65.44 H new ATOM 0 HB3 ALA A 660 8.727 -4.922 -5.170 1.00 65.44 H new ATOM 1156 N LYS A 661 8.692 -3.717 -1.695 1.00 3.51 N ATOM 1157 CA LYS A 661 9.115 -4.257 -0.448 1.00 12.24 C ATOM 1158 C LYS A 661 7.934 -4.596 0.474 1.00 62.04 C ATOM 1159 O LYS A 661 7.268 -3.699 1.026 1.00 40.23 O ATOM 1160 CB LYS A 661 10.046 -3.258 0.263 1.00 72.31 C ATOM 1161 CG LYS A 661 10.794 -3.855 1.433 1.00 0.24 C ATOM 1162 CD LYS A 661 11.794 -4.885 0.943 1.00 25.21 C ATOM 1163 CE LYS A 661 12.977 -4.252 0.221 1.00 74.35 C ATOM 1164 NZ LYS A 661 13.779 -3.384 1.112 1.00 11.42 N ATOM 0 H LYS A 661 8.996 -2.754 -1.841 1.00 3.51 H new ATOM 0 HA LYS A 661 9.645 -5.185 -0.662 1.00 12.24 H new ATOM 0 HB2 LYS A 661 10.766 -2.869 -0.457 1.00 72.31 H new ATOM 0 HB3 LYS A 661 9.456 -2.411 0.614 1.00 72.31 H new ATOM 0 HG2 LYS A 661 11.311 -3.069 1.984 1.00 0.24 H new ATOM 0 HG3 LYS A 661 10.091 -4.320 2.125 1.00 0.24 H new ATOM 0 HD2 LYS A 661 12.158 -5.465 1.791 1.00 25.21 H new ATOM 0 HD3 LYS A 661 11.293 -5.582 0.271 1.00 25.21 H new ATOM 0 HE2 LYS A 661 13.613 -5.037 -0.187 1.00 74.35 H new ATOM 0 HE3 LYS A 661 12.613 -3.666 -0.623 1.00 74.35 H new ATOM 0 HZ1 LYS A 661 14.743 -3.292 0.732 1.00 11.42 H new ATOM 0 HZ2 LYS A 661 13.338 -2.444 1.170 1.00 11.42 H new ATOM 0 HZ3 LYS A 661 13.821 -3.806 2.062 1.00 11.42 H new ATOM 1178 N LEU A 662 7.684 -5.869 0.621 1.00 53.31 N ATOM 1179 CA LEU A 662 6.707 -6.365 1.553 1.00 1.52 C ATOM 1180 C LEU A 662 7.436 -6.901 2.759 1.00 62.04 C ATOM 1181 O LEU A 662 8.588 -7.278 2.667 1.00 33.04 O ATOM 1182 CB LEU A 662 5.813 -7.465 0.956 1.00 22.33 C ATOM 1183 CG LEU A 662 4.862 -7.077 -0.166 1.00 73.23 C ATOM 1184 CD1 LEU A 662 3.973 -8.252 -0.505 1.00 72.21 C ATOM 1185 CD2 LEU A 662 4.024 -5.870 0.207 1.00 14.32 C ATOM 0 H LEU A 662 8.159 -6.600 0.091 1.00 53.31 H new ATOM 0 HA LEU A 662 6.047 -5.540 1.821 1.00 1.52 H new ATOM 0 HB2 LEU A 662 6.462 -8.259 0.585 1.00 22.33 H new ATOM 0 HB3 LEU A 662 5.220 -7.890 1.766 1.00 22.33 H new ATOM 0 HG LEU A 662 5.455 -6.806 -1.039 1.00 73.23 H new ATOM 0 HD11 LEU A 662 3.292 -7.973 -1.309 1.00 72.21 H new ATOM 0 HD12 LEU A 662 4.588 -9.093 -0.826 1.00 72.21 H new ATOM 0 HD13 LEU A 662 3.397 -8.538 0.375 1.00 72.21 H new ATOM 0 HD21 LEU A 662 3.356 -5.621 -0.618 1.00 14.32 H new ATOM 0 HD22 LEU A 662 3.434 -6.097 1.095 1.00 14.32 H new ATOM 0 HD23 LEU A 662 4.678 -5.023 0.413 1.00 14.32 H new ATOM 1193 N SER A 663 6.811 -6.893 3.876 1.00 2.14 N ATOM 1194 CA SER A 663 7.418 -7.386 5.073 1.00 54.12 C ATOM 1195 C SER A 663 6.423 -8.245 5.840 1.00 32.24 C ATOM 1196 O SER A 663 5.231 -8.049 5.731 1.00 62.21 O ATOM 1197 CB SER A 663 7.892 -6.212 5.919 1.00 53.25 C ATOM 1198 OG SER A 663 8.788 -5.386 5.182 1.00 73.14 O ATOM 0 H SER A 663 5.860 -6.545 3.996 1.00 2.14 H new ATOM 0 HA SER A 663 8.280 -8.005 4.823 1.00 54.12 H new ATOM 0 HB2 SER A 663 7.034 -5.624 6.246 1.00 53.25 H new ATOM 0 HB3 SER A 663 8.387 -6.582 6.817 1.00 53.25 H new ATOM 0 HG SER A 663 9.079 -4.637 5.743 1.00 73.14 H new ATOM 1204 N TYR A 664 6.905 -9.203 6.570 1.00 32.24 N ATOM 1205 CA TYR A 664 6.041 -10.052 7.356 1.00 24.54 C ATOM 1206 C TYR A 664 6.493 -9.966 8.783 1.00 12.02 C ATOM 1207 O TYR A 664 7.642 -10.267 9.074 1.00 31.41 O ATOM 1208 CB TYR A 664 6.132 -11.487 6.845 1.00 2.32 C ATOM 1209 CG TYR A 664 5.094 -12.419 7.398 1.00 51.21 C ATOM 1210 CD1 TYR A 664 3.758 -12.172 7.172 1.00 32.24 C ATOM 1211 CD2 TYR A 664 5.442 -13.553 8.122 1.00 71.42 C ATOM 1212 CE1 TYR A 664 2.793 -12.994 7.627 1.00 40.10 C ATOM 1213 CE2 TYR A 664 4.470 -14.414 8.593 1.00 34.22 C ATOM 1214 CZ TYR A 664 3.144 -14.137 8.344 1.00 73.41 C ATOM 1215 OH TYR A 664 2.162 -14.992 8.811 1.00 34.11 O ATOM 0 H TYR A 664 7.898 -9.424 6.643 1.00 32.24 H new ATOM 0 HA TYR A 664 5.002 -9.732 7.277 1.00 24.54 H new ATOM 0 HB2 TYR A 664 6.049 -11.477 5.758 1.00 2.32 H new ATOM 0 HB3 TYR A 664 7.119 -11.881 7.085 1.00 2.32 H new ATOM 0 HD1 TYR A 664 3.476 -11.292 6.613 1.00 32.24 H new ATOM 0 HD2 TYR A 664 6.483 -13.763 8.318 1.00 71.42 H new ATOM 0 HE1 TYR A 664 1.754 -12.769 7.438 1.00 40.10 H new ATOM 0 HE2 TYR A 664 4.747 -15.296 9.151 1.00 34.22 H new ATOM 0 HH TYR A 664 2.579 -15.739 9.289 1.00 34.11 H new ATOM 1225 N TYR A 665 5.619 -9.524 9.664 1.00 11.31 N ATOM 1226 CA TYR A 665 6.015 -9.315 11.038 1.00 24.14 C ATOM 1227 C TYR A 665 5.732 -10.545 11.895 1.00 73.12 C ATOM 1228 O TYR A 665 6.618 -11.336 12.167 1.00 11.51 O ATOM 1229 CB TYR A 665 5.342 -8.050 11.609 1.00 33.51 C ATOM 1230 CG TYR A 665 5.842 -7.632 12.974 1.00 21.24 C ATOM 1231 CD1 TYR A 665 6.980 -6.853 13.093 1.00 25.44 C ATOM 1232 CD2 TYR A 665 5.186 -8.015 14.134 1.00 53.45 C ATOM 1233 CE1 TYR A 665 7.451 -6.467 14.322 1.00 21.14 C ATOM 1234 CE2 TYR A 665 5.652 -7.632 15.374 1.00 74.42 C ATOM 1235 CZ TYR A 665 6.788 -6.856 15.461 1.00 31.43 C ATOM 1236 OH TYR A 665 7.262 -6.463 16.696 1.00 73.15 O ATOM 0 H TYR A 665 4.644 -9.306 9.456 1.00 11.31 H new ATOM 0 HA TYR A 665 7.093 -9.158 11.061 1.00 24.14 H new ATOM 0 HB2 TYR A 665 5.497 -7.226 10.912 1.00 33.51 H new ATOM 0 HB3 TYR A 665 4.267 -8.221 11.667 1.00 33.51 H new ATOM 0 HD1 TYR A 665 7.506 -6.544 12.202 1.00 25.44 H new ATOM 0 HD2 TYR A 665 4.296 -8.623 14.065 1.00 53.45 H new ATOM 0 HE1 TYR A 665 8.341 -5.859 14.394 1.00 21.14 H new ATOM 0 HE2 TYR A 665 5.131 -7.937 16.270 1.00 74.42 H new ATOM 0 HH TYR A 665 6.680 -6.820 17.399 1.00 73.15 H new ATOM 1246 N ASP A 666 4.503 -10.680 12.304 1.00 35.24 N ATOM 1247 CA ASP A 666 4.054 -11.814 13.126 1.00 43.55 C ATOM 1248 C ASP A 666 3.079 -12.651 12.330 1.00 60.01 C ATOM 1249 O ASP A 666 2.945 -13.856 12.526 1.00 34.21 O ATOM 1250 CB ASP A 666 3.321 -11.288 14.371 1.00 74.43 C ATOM 1251 CG ASP A 666 2.033 -10.550 14.016 1.00 62.23 C ATOM 1252 OD1 ASP A 666 2.111 -9.447 13.441 1.00 54.11 O ATOM 1253 OD2 ASP A 666 0.930 -11.089 14.271 1.00 22.14 O ATOM 0 H ASP A 666 3.764 -10.012 12.085 1.00 35.24 H new ATOM 0 HA ASP A 666 4.920 -12.407 13.419 1.00 43.55 H new ATOM 0 HB2 ASP A 666 3.088 -12.122 15.033 1.00 74.43 H new ATOM 0 HB3 ASP A 666 3.981 -10.618 14.922 1.00 74.43 H new ATOM 1258 N GLY A 667 2.421 -11.993 11.426 1.00 45.52 N ATOM 1259 CA GLY A 667 1.395 -12.583 10.642 1.00 25.24 C ATOM 1260 C GLY A 667 0.723 -11.532 9.847 1.00 32.11 C ATOM 1261 O GLY A 667 0.104 -11.807 8.816 1.00 42.34 O ATOM 0 H GLY A 667 2.590 -11.010 11.213 1.00 45.52 H new ATOM 0 HA2 GLY A 667 1.816 -13.341 9.982 1.00 25.24 H new ATOM 0 HA3 GLY A 667 0.673 -13.086 11.286 1.00 25.24 H new ATOM 1265 N MET A 668 0.827 -10.314 10.324 1.00 23.20 N ATOM 1266 CA MET A 668 0.380 -9.197 9.561 1.00 12.22 C ATOM 1267 C MET A 668 1.433 -8.896 8.532 1.00 41.22 C ATOM 1268 O MET A 668 2.635 -8.777 8.867 1.00 32.10 O ATOM 1269 CB MET A 668 0.142 -7.959 10.442 1.00 34.44 C ATOM 1270 CG MET A 668 -0.964 -8.123 11.469 1.00 32.21 C ATOM 1271 SD MET A 668 -1.271 -6.621 12.436 1.00 43.25 S ATOM 1272 CE MET A 668 0.321 -6.376 13.224 1.00 12.35 C ATOM 0 H MET A 668 1.218 -10.082 11.237 1.00 23.20 H new ATOM 0 HA MET A 668 -0.573 -9.442 9.092 1.00 12.22 H new ATOM 0 HB2 MET A 668 1.069 -7.713 10.960 1.00 34.44 H new ATOM 0 HB3 MET A 668 -0.098 -7.112 9.800 1.00 34.44 H new ATOM 0 HG2 MET A 668 -1.883 -8.414 10.960 1.00 32.21 H new ATOM 0 HG3 MET A 668 -0.704 -8.936 12.146 1.00 32.21 H new ATOM 0 HE1 MET A 668 0.213 -5.677 14.053 1.00 12.35 H new ATOM 0 HE2 MET A 668 0.692 -7.330 13.599 1.00 12.35 H new ATOM 0 HE3 MET A 668 1.028 -5.972 12.499 1.00 12.35 H new ATOM 1282 N ILE A 669 1.027 -8.838 7.302 1.00 50.42 N ATOM 1283 CA ILE A 669 1.917 -8.475 6.244 1.00 32.32 C ATOM 1284 C ILE A 669 2.006 -6.956 6.225 1.00 12.31 C ATOM 1285 O ILE A 669 1.010 -6.272 6.436 1.00 65.13 O ATOM 1286 CB ILE A 669 1.465 -9.002 4.837 1.00 4.32 C ATOM 1287 CG1 ILE A 669 1.551 -10.517 4.673 1.00 3.14 C ATOM 1288 CG2 ILE A 669 2.221 -8.346 3.697 1.00 44.05 C ATOM 1289 CD1 ILE A 669 0.527 -11.335 5.427 1.00 62.22 C ATOM 0 H ILE A 669 0.073 -9.040 7.004 1.00 50.42 H new ATOM 0 HA ILE A 669 2.885 -8.939 6.436 1.00 32.32 H new ATOM 0 HB ILE A 669 0.413 -8.722 4.790 1.00 4.32 H new ATOM 0 HG12 ILE A 669 1.461 -10.751 3.612 1.00 3.14 H new ATOM 0 HG13 ILE A 669 2.544 -10.839 4.988 1.00 3.14 H new ATOM 0 HG21 ILE A 669 1.868 -8.748 2.747 1.00 44.05 H new ATOM 0 HG22 ILE A 669 2.052 -7.269 3.720 1.00 44.05 H new ATOM 0 HG23 ILE A 669 3.287 -8.549 3.803 1.00 44.05 H new ATOM 0 HD11 ILE A 669 0.691 -12.394 5.230 1.00 62.22 H new ATOM 0 HD12 ILE A 669 0.625 -11.145 6.496 1.00 62.22 H new ATOM 0 HD13 ILE A 669 -0.474 -11.056 5.099 1.00 62.22 H new ATOM 1296 N GLN A 670 3.172 -6.442 6.024 1.00 52.20 N ATOM 1297 CA GLN A 670 3.379 -5.036 6.001 1.00 74.22 C ATOM 1298 C GLN A 670 3.972 -4.631 4.653 1.00 33.33 C ATOM 1299 O GLN A 670 4.561 -5.448 3.967 1.00 11.13 O ATOM 1300 CB GLN A 670 4.306 -4.621 7.152 1.00 64.35 C ATOM 1301 CG GLN A 670 3.834 -5.106 8.525 1.00 0.21 C ATOM 1302 CD GLN A 670 4.641 -4.543 9.674 1.00 4.31 C ATOM 1303 OE1 GLN A 670 5.658 -5.090 10.069 1.00 15.21 O ATOM 1304 NE2 GLN A 670 4.162 -3.483 10.251 1.00 31.35 N ATOM 0 H GLN A 670 4.016 -6.993 5.870 1.00 52.20 H new ATOM 0 HA GLN A 670 2.425 -4.525 6.132 1.00 74.22 H new ATOM 0 HB2 GLN A 670 5.305 -5.012 6.962 1.00 64.35 H new ATOM 0 HB3 GLN A 670 4.387 -3.534 7.168 1.00 64.35 H new ATOM 0 HG2 GLN A 670 2.787 -4.832 8.658 1.00 0.21 H new ATOM 0 HG3 GLN A 670 3.885 -6.194 8.554 1.00 0.21 H new ATOM 0 HE21 GLN A 670 3.310 -3.050 9.896 1.00 31.35 H new ATOM 0 HE22 GLN A 670 4.638 -3.083 11.060 1.00 31.35 H new ATOM 1312 N LEU A 671 3.793 -3.399 4.291 1.00 22.44 N ATOM 1313 CA LEU A 671 4.319 -2.842 3.043 1.00 22.34 C ATOM 1314 C LEU A 671 5.156 -1.681 3.511 1.00 32.43 C ATOM 1315 O LEU A 671 4.807 -1.067 4.517 1.00 71.51 O ATOM 1316 CB LEU A 671 3.145 -2.282 2.212 1.00 31.30 C ATOM 1317 CG LEU A 671 3.252 -2.212 0.658 1.00 30.23 C ATOM 1318 CD1 LEU A 671 2.103 -1.444 0.094 1.00 71.54 C ATOM 1319 CD2 LEU A 671 4.552 -1.656 0.108 1.00 0.51 C ATOM 0 H LEU A 671 3.271 -2.725 4.851 1.00 22.44 H new ATOM 0 HA LEU A 671 4.863 -3.569 2.440 1.00 22.34 H new ATOM 0 HB2 LEU A 671 2.266 -2.880 2.450 1.00 31.30 H new ATOM 0 HB3 LEU A 671 2.949 -1.271 2.569 1.00 31.30 H new ATOM 0 HG LEU A 671 3.229 -3.254 0.339 1.00 30.23 H new ATOM 0 HD11 LEU A 671 2.191 -1.403 -0.992 1.00 71.54 H new ATOM 0 HD12 LEU A 671 1.169 -1.936 0.364 1.00 71.54 H new ATOM 0 HD13 LEU A 671 2.109 -0.431 0.497 1.00 71.54 H new ATOM 0 HD21 LEU A 671 4.515 -1.654 -0.981 1.00 0.51 H new ATOM 0 HD22 LEU A 671 4.693 -0.637 0.468 1.00 0.51 H new ATOM 0 HD23 LEU A 671 5.383 -2.277 0.442 1.00 0.51 H new ATOM 1327 N THR A 672 6.228 -1.375 2.869 1.00 23.02 N ATOM 1328 CA THR A 672 7.036 -0.279 3.336 1.00 30.40 C ATOM 1329 C THR A 672 7.632 0.522 2.195 1.00 40.25 C ATOM 1330 O THR A 672 8.296 -0.019 1.327 1.00 14.54 O ATOM 1331 CB THR A 672 8.145 -0.781 4.292 1.00 13.11 C ATOM 1332 OG1 THR A 672 7.528 -1.486 5.383 1.00 4.41 O ATOM 1333 CG2 THR A 672 8.959 0.385 4.858 1.00 14.24 C ATOM 0 H THR A 672 6.570 -1.851 2.034 1.00 23.02 H new ATOM 0 HA THR A 672 6.377 0.391 3.888 1.00 30.40 H new ATOM 0 HB THR A 672 8.816 -1.433 3.733 1.00 13.11 H new ATOM 0 HG1 THR A 672 8.220 -1.811 5.996 1.00 4.41 H new ATOM 0 HG21 THR A 672 9.730 0.000 5.526 1.00 14.24 H new ATOM 0 HG22 THR A 672 9.428 0.933 4.040 1.00 14.24 H new ATOM 0 HG23 THR A 672 8.300 1.054 5.412 1.00 14.24 H new ATOM 1339 N TYR A 673 7.344 1.798 2.192 1.00 71.33 N ATOM 1340 CA TYR A 673 7.921 2.722 1.248 1.00 11.24 C ATOM 1341 C TYR A 673 8.977 3.565 1.900 1.00 25.31 C ATOM 1342 O TYR A 673 8.716 4.242 2.901 1.00 54.21 O ATOM 1343 CB TYR A 673 6.862 3.593 0.590 1.00 22.11 C ATOM 1344 CG TYR A 673 6.073 2.848 -0.417 1.00 73.14 C ATOM 1345 CD1 TYR A 673 6.574 2.698 -1.691 1.00 3.11 C ATOM 1346 CD2 TYR A 673 4.864 2.269 -0.108 1.00 31.44 C ATOM 1347 CE1 TYR A 673 5.899 1.998 -2.638 1.00 14.33 C ATOM 1348 CE2 TYR A 673 4.176 1.557 -1.052 1.00 12.23 C ATOM 1349 CZ TYR A 673 4.707 1.423 -2.327 1.00 21.15 C ATOM 1350 OH TYR A 673 4.048 0.709 -3.277 1.00 71.14 O ATOM 0 H TYR A 673 6.696 2.230 2.851 1.00 71.33 H new ATOM 0 HA TYR A 673 8.391 2.131 0.462 1.00 11.24 H new ATOM 0 HB2 TYR A 673 6.193 3.988 1.354 1.00 22.11 H new ATOM 0 HB3 TYR A 673 7.342 4.448 0.114 1.00 22.11 H new ATOM 0 HD1 TYR A 673 7.524 3.147 -1.942 1.00 3.11 H new ATOM 0 HD2 TYR A 673 4.456 2.377 0.886 1.00 31.44 H new ATOM 0 HE1 TYR A 673 6.307 1.898 -3.633 1.00 14.33 H new ATOM 0 HE2 TYR A 673 3.227 1.103 -0.807 1.00 12.23 H new ATOM 0 HH TYR A 673 3.106 0.619 -3.024 1.00 71.14 H new ATOM 1360 N ARG A 674 10.159 3.500 1.356 1.00 32.02 N ATOM 1361 CA ARG A 674 11.297 4.244 1.854 1.00 21.33 C ATOM 1362 C ARG A 674 11.735 5.314 0.890 1.00 70.32 C ATOM 1363 O ARG A 674 11.135 5.488 -0.170 1.00 22.33 O ATOM 1364 CB ARG A 674 12.466 3.337 2.152 1.00 1.21 C ATOM 1365 CG ARG A 674 12.321 2.469 3.377 1.00 14.44 C ATOM 1366 CD ARG A 674 13.591 1.680 3.574 1.00 50.15 C ATOM 1367 NE ARG A 674 14.756 2.575 3.597 1.00 31.01 N ATOM 1368 CZ ARG A 674 15.985 2.236 3.201 1.00 63.24 C ATOM 1369 NH1 ARG A 674 16.253 0.977 2.834 1.00 43.01 N ATOM 1370 NH2 ARG A 674 16.946 3.161 3.162 1.00 20.11 N ATOM 0 H ARG A 674 10.369 2.922 0.542 1.00 32.02 H new ATOM 0 HA ARG A 674 10.969 4.719 2.779 1.00 21.33 H new ATOM 0 HB2 ARG A 674 12.632 2.692 1.289 1.00 1.21 H new ATOM 0 HB3 ARG A 674 13.359 3.951 2.267 1.00 1.21 H new ATOM 0 HG2 ARG A 674 12.121 3.085 4.253 1.00 14.44 H new ATOM 0 HG3 ARG A 674 11.473 1.794 3.262 1.00 14.44 H new ATOM 0 HD2 ARG A 674 13.537 1.120 4.508 1.00 50.15 H new ATOM 0 HD3 ARG A 674 13.701 0.951 2.771 1.00 50.15 H new ATOM 0 HE ARG A 674 14.615 3.525 3.941 1.00 31.01 H new ATOM 0 HH11 ARG A 674 15.517 0.272 2.856 1.00 43.01 H new ATOM 0 HH12 ARG A 674 17.194 0.723 2.532 1.00 43.01 H new ATOM 0 HH21 ARG A 674 16.740 4.122 3.434 1.00 20.11 H new ATOM 0 HH22 ARG A 674 17.887 2.907 2.860 1.00 20.11 H new ATOM 1382 N ASP A 675 12.786 6.048 1.287 1.00 43.03 N ATOM 1383 CA ASP A 675 13.386 7.131 0.485 1.00 23.15 C ATOM 1384 C ASP A 675 12.444 8.305 0.381 1.00 32.13 C ATOM 1385 O ASP A 675 12.519 9.117 -0.544 1.00 0.20 O ATOM 1386 CB ASP A 675 13.845 6.637 -0.903 1.00 24.13 C ATOM 1387 CG ASP A 675 14.927 5.584 -0.811 1.00 54.15 C ATOM 1388 OD1 ASP A 675 16.046 5.912 -0.352 1.00 72.10 O ATOM 1389 OD2 ASP A 675 14.689 4.428 -1.209 1.00 75.11 O ATOM 0 H ASP A 675 13.250 5.906 2.184 1.00 43.03 H new ATOM 0 HA ASP A 675 14.283 7.469 1.004 1.00 23.15 H new ATOM 0 HB2 ASP A 675 12.990 6.229 -1.442 1.00 24.13 H new ATOM 0 HB3 ASP A 675 14.213 7.483 -1.483 1.00 24.13 H new ATOM 1394 N GLY A 676 11.572 8.395 1.367 1.00 34.01 N ATOM 1395 CA GLY A 676 10.635 9.460 1.482 1.00 62.13 C ATOM 1396 C GLY A 676 11.254 10.841 1.607 1.00 43.45 C ATOM 1397 O GLY A 676 12.384 10.983 2.020 1.00 64.34 O ATOM 0 H GLY A 676 11.506 7.708 2.118 1.00 34.01 H new ATOM 0 HA2 GLY A 676 9.983 9.447 0.609 1.00 62.13 H new ATOM 0 HA3 GLY A 676 10.005 9.279 2.353 1.00 62.13 H new ATOM 1401 N THR A 677 10.490 11.845 1.272 1.00 41.44 N ATOM 1402 CA THR A 677 10.929 13.213 1.391 1.00 45.11 C ATOM 1403 C THR A 677 10.960 13.602 2.884 1.00 61.40 C ATOM 1404 O THR A 677 9.927 13.503 3.575 1.00 20.32 O ATOM 1405 CB THR A 677 9.942 14.141 0.651 1.00 43.34 C ATOM 1406 OG1 THR A 677 9.760 13.672 -0.696 1.00 70.10 O ATOM 1407 CG2 THR A 677 10.451 15.578 0.622 1.00 41.32 C ATOM 0 H THR A 677 9.543 11.740 0.908 1.00 41.44 H new ATOM 0 HA THR A 677 11.923 13.316 0.955 1.00 45.11 H new ATOM 0 HB THR A 677 8.992 14.124 1.186 1.00 43.34 H new ATOM 0 HG1 THR A 677 9.563 14.432 -1.283 1.00 70.10 H new ATOM 0 HG21 THR A 677 9.734 16.207 0.094 1.00 41.32 H new ATOM 0 HG22 THR A 677 10.571 15.942 1.642 1.00 41.32 H new ATOM 0 HG23 THR A 677 11.412 15.613 0.109 1.00 41.32 H new ATOM 1413 N PRO A 678 12.130 14.005 3.405 1.00 71.41 N ATOM 1414 CA PRO A 678 12.271 14.409 4.801 1.00 64.42 C ATOM 1415 C PRO A 678 11.580 15.742 5.074 1.00 64.42 C ATOM 1416 O PRO A 678 11.410 16.572 4.167 1.00 23.14 O ATOM 1417 CB PRO A 678 13.788 14.554 4.985 1.00 43.13 C ATOM 1418 CG PRO A 678 14.310 14.837 3.625 1.00 61.55 C ATOM 1419 CD PRO A 678 13.414 14.098 2.671 1.00 63.11 C ATOM 0 HA PRO A 678 11.815 13.691 5.483 1.00 64.42 H new ATOM 0 HB2 PRO A 678 14.027 15.362 5.676 1.00 43.13 H new ATOM 0 HB3 PRO A 678 14.225 13.644 5.395 1.00 43.13 H new ATOM 0 HG2 PRO A 678 14.300 15.907 3.419 1.00 61.55 H new ATOM 0 HG3 PRO A 678 15.343 14.503 3.527 1.00 61.55 H new ATOM 0 HD2 PRO A 678 13.300 14.635 1.729 1.00 63.11 H new ATOM 0 HD3 PRO A 678 13.811 13.112 2.430 1.00 63.11 H new ATOM 1427 N TYR A 679 11.156 15.942 6.300 1.00 1.14 N ATOM 1428 CA TYR A 679 10.505 17.204 6.656 1.00 24.12 C ATOM 1429 C TYR A 679 11.428 18.041 7.513 1.00 45.32 C ATOM 1430 O TYR A 679 11.854 19.134 7.126 1.00 61.35 O ATOM 1431 CB TYR A 679 9.214 16.969 7.439 1.00 74.35 C ATOM 1432 CG TYR A 679 8.247 16.027 6.791 1.00 33.52 C ATOM 1433 CD1 TYR A 679 7.387 16.438 5.777 1.00 71.44 C ATOM 1434 CD2 TYR A 679 8.191 14.721 7.203 1.00 51.12 C ATOM 1435 CE1 TYR A 679 6.502 15.543 5.203 1.00 23.13 C ATOM 1436 CE2 TYR A 679 7.324 13.841 6.640 1.00 21.31 C ATOM 1437 CZ TYR A 679 6.483 14.247 5.646 1.00 41.41 C ATOM 1438 OH TYR A 679 5.614 13.345 5.097 1.00 12.01 O ATOM 0 H TYR A 679 11.242 15.269 7.062 1.00 1.14 H new ATOM 0 HA TYR A 679 10.271 17.719 5.724 1.00 24.12 H new ATOM 0 HB2 TYR A 679 9.470 16.583 8.426 1.00 74.35 H new ATOM 0 HB3 TYR A 679 8.719 17.928 7.591 1.00 74.35 H new ATOM 0 HD1 TYR A 679 7.411 17.462 5.436 1.00 71.44 H new ATOM 0 HD2 TYR A 679 8.849 14.385 7.991 1.00 51.12 H new ATOM 0 HE1 TYR A 679 5.835 15.862 4.416 1.00 23.13 H new ATOM 0 HE2 TYR A 679 7.300 12.816 6.980 1.00 21.31 H new ATOM 0 HH TYR A 679 4.988 13.033 5.784 1.00 12.01 H new ATOM 1448 N ASN A 680 11.749 17.506 8.667 1.00 72.52 N ATOM 1449 CA ASN A 680 12.545 18.197 9.651 1.00 74.31 C ATOM 1450 C ASN A 680 13.745 17.288 10.005 1.00 51.13 C ATOM 1451 O ASN A 680 14.076 16.385 9.211 1.00 3.52 O ATOM 1452 CB ASN A 680 11.642 18.474 10.882 1.00 20.30 C ATOM 1453 CG ASN A 680 12.206 19.504 11.855 1.00 74.42 C ATOM 1454 OD1 ASN A 680 12.922 19.170 12.794 1.00 55.10 O ATOM 1455 ND2 ASN A 680 11.882 20.755 11.640 1.00 52.32 N ATOM 0 H ASN A 680 11.462 16.569 8.951 1.00 72.52 H new ATOM 0 HA ASN A 680 12.929 19.150 9.286 1.00 74.31 H new ATOM 0 HB2 ASN A 680 10.668 18.816 10.533 1.00 20.30 H new ATOM 0 HB3 ASN A 680 11.479 17.538 11.416 1.00 20.30 H new ATOM 0 HD21 ASN A 680 12.227 21.485 12.263 1.00 52.32 H new ATOM 0 HD22 ASN A 680 11.285 20.999 10.850 1.00 52.32 H new ATOM 1461 N ASN A 681 14.372 17.519 11.170 1.00 43.13 N ATOM 1462 CA ASN A 681 15.576 16.800 11.638 1.00 42.31 C ATOM 1463 C ASN A 681 16.824 17.311 10.943 1.00 1.43 C ATOM 1464 O ASN A 681 16.941 17.250 9.720 1.00 61.13 O ATOM 1465 CB ASN A 681 15.443 15.248 11.546 1.00 74.31 C ATOM 1466 CG ASN A 681 16.715 14.491 11.943 1.00 50.15 C ATOM 1467 OD1 ASN A 681 17.518 14.956 12.748 1.00 3.11 O ATOM 1468 ND2 ASN A 681 16.890 13.312 11.396 1.00 65.10 N ATOM 0 H ASN A 681 14.051 18.227 11.831 1.00 43.13 H new ATOM 0 HA ASN A 681 15.674 17.019 12.701 1.00 42.31 H new ATOM 0 HB2 ASN A 681 14.624 14.925 12.189 1.00 74.31 H new ATOM 0 HB3 ASN A 681 15.174 14.976 10.525 1.00 74.31 H new ATOM 0 HD21 ASN A 681 17.710 12.755 11.636 1.00 65.10 H new ATOM 0 HD22 ASN A 681 16.206 12.952 10.731 1.00 65.10 H new ATOM 1474 N GLU A 682 17.756 17.802 11.744 1.00 52.33 N ATOM 1475 CA GLU A 682 19.003 18.396 11.267 1.00 21.22 C ATOM 1476 C GLU A 682 19.838 17.413 10.445 1.00 1.32 C ATOM 1477 O GLU A 682 20.551 17.816 9.524 1.00 22.41 O ATOM 1478 CB GLU A 682 19.795 18.924 12.457 1.00 53.04 C ATOM 1479 CG GLU A 682 19.080 20.043 13.201 1.00 4.51 C ATOM 1480 CD GLU A 682 19.763 20.424 14.480 1.00 24.25 C ATOM 1481 OE1 GLU A 682 20.779 21.148 14.437 1.00 42.23 O ATOM 1482 OE2 GLU A 682 19.300 19.992 15.553 1.00 72.04 O ATOM 0 H GLU A 682 17.670 17.801 12.760 1.00 52.33 H new ATOM 0 HA GLU A 682 18.754 19.220 10.599 1.00 21.22 H new ATOM 0 HB2 GLU A 682 19.991 18.104 13.148 1.00 53.04 H new ATOM 0 HB3 GLU A 682 20.762 19.287 12.110 1.00 53.04 H new ATOM 0 HG2 GLU A 682 19.016 20.918 12.555 1.00 4.51 H new ATOM 0 HG3 GLU A 682 18.058 19.732 13.419 1.00 4.51 H new ATOM 1489 N LYS A 683 19.726 16.133 10.766 1.00 55.33 N ATOM 1490 CA LYS A 683 20.449 15.091 10.040 1.00 20.45 C ATOM 1491 C LYS A 683 19.732 14.732 8.738 1.00 24.41 C ATOM 1492 O LYS A 683 20.319 14.128 7.858 1.00 70.01 O ATOM 1493 CB LYS A 683 20.576 13.834 10.900 1.00 1.32 C ATOM 1494 CG LYS A 683 21.338 14.033 12.193 1.00 55.13 C ATOM 1495 CD LYS A 683 21.362 12.761 13.014 1.00 21.43 C ATOM 1496 CE LYS A 683 22.102 12.960 14.324 1.00 53.11 C ATOM 1497 NZ LYS A 683 22.064 11.743 15.166 1.00 32.44 N ATOM 0 H LYS A 683 19.141 15.787 11.526 1.00 55.33 H new ATOM 0 HA LYS A 683 21.440 15.479 9.806 1.00 20.45 H new ATOM 0 HB2 LYS A 683 19.577 13.467 11.135 1.00 1.32 H new ATOM 0 HB3 LYS A 683 21.072 13.058 10.316 1.00 1.32 H new ATOM 0 HG2 LYS A 683 22.358 14.346 11.973 1.00 55.13 H new ATOM 0 HG3 LYS A 683 20.877 14.834 12.771 1.00 55.13 H new ATOM 0 HD2 LYS A 683 20.341 12.438 13.217 1.00 21.43 H new ATOM 0 HD3 LYS A 683 21.840 11.966 12.442 1.00 21.43 H new ATOM 0 HE2 LYS A 683 23.138 13.228 14.119 1.00 53.11 H new ATOM 0 HE3 LYS A 683 21.659 13.793 14.869 1.00 53.11 H new ATOM 0 HZ1 LYS A 683 22.580 11.918 16.052 1.00 32.44 H new ATOM 0 HZ2 LYS A 683 21.076 11.501 15.382 1.00 32.44 H new ATOM 0 HZ3 LYS A 683 22.510 10.954 14.656 1.00 32.44 H new ATOM 1511 N ARG A 684 18.461 15.135 8.640 1.00 32.30 N ATOM 1512 CA ARG A 684 17.574 14.821 7.506 1.00 75.50 C ATOM 1513 C ARG A 684 17.393 13.328 7.295 1.00 2.23 C ATOM 1514 O ARG A 684 18.280 12.632 6.789 1.00 73.42 O ATOM 1515 CB ARG A 684 17.992 15.484 6.203 1.00 22.44 C ATOM 1516 CG ARG A 684 17.939 16.992 6.205 1.00 13.31 C ATOM 1517 CD ARG A 684 18.260 17.517 4.824 1.00 60.14 C ATOM 1518 NE ARG A 684 19.612 17.143 4.388 1.00 53.01 N ATOM 1519 CZ ARG A 684 19.931 16.665 3.173 1.00 23.25 C ATOM 1520 NH1 ARG A 684 18.987 16.465 2.248 1.00 65.21 N ATOM 1521 NH2 ARG A 684 21.201 16.390 2.880 1.00 51.25 N ATOM 0 H ARG A 684 18.008 15.700 9.358 1.00 32.30 H new ATOM 0 HA ARG A 684 16.612 15.245 7.793 1.00 75.50 H new ATOM 0 HB2 ARG A 684 19.009 15.172 5.965 1.00 22.44 H new ATOM 0 HB3 ARG A 684 17.350 15.115 5.403 1.00 22.44 H new ATOM 0 HG2 ARG A 684 16.949 17.330 6.512 1.00 13.31 H new ATOM 0 HG3 ARG A 684 18.650 17.389 6.929 1.00 13.31 H new ATOM 0 HD2 ARG A 684 17.531 17.131 4.112 1.00 60.14 H new ATOM 0 HD3 ARG A 684 18.166 18.603 4.819 1.00 60.14 H new ATOM 0 HE ARG A 684 20.370 17.255 5.062 1.00 53.01 H new ATOM 0 HH11 ARG A 684 18.012 16.676 2.461 1.00 65.21 H new ATOM 0 HH12 ARG A 684 19.242 16.102 1.330 1.00 65.21 H new ATOM 0 HH21 ARG A 684 21.930 16.542 3.577 1.00 51.25 H new ATOM 0 HH22 ARG A 684 21.445 16.027 1.958 1.00 51.25 H new ATOM 1533 N THR A 685 16.269 12.836 7.695 1.00 1.01 N ATOM 1534 CA THR A 685 15.974 11.457 7.505 1.00 12.40 C ATOM 1535 C THR A 685 14.805 11.300 6.539 1.00 14.12 C ATOM 1536 O THR A 685 13.731 11.896 6.746 1.00 40.44 O ATOM 1537 CB THR A 685 15.705 10.701 8.855 1.00 1.31 C ATOM 1538 OG1 THR A 685 15.456 9.299 8.615 1.00 12.04 O ATOM 1539 CG2 THR A 685 14.525 11.295 9.609 1.00 65.02 C ATOM 0 H THR A 685 15.536 13.373 8.158 1.00 1.01 H new ATOM 0 HA THR A 685 16.858 10.991 7.070 1.00 12.40 H new ATOM 0 HB THR A 685 16.600 10.815 9.466 1.00 1.31 H new ATOM 0 HG1 THR A 685 15.292 8.845 9.468 1.00 12.04 H new ATOM 0 HG21 THR A 685 14.372 10.744 10.537 1.00 65.02 H new ATOM 0 HG22 THR A 685 14.729 12.341 9.837 1.00 65.02 H new ATOM 0 HG23 THR A 685 13.628 11.226 8.994 1.00 65.02 H new ATOM 1545 N PRO A 686 14.996 10.566 5.451 1.00 22.02 N ATOM 1546 CA PRO A 686 13.903 10.231 4.566 1.00 13.25 C ATOM 1547 C PRO A 686 12.964 9.316 5.326 1.00 15.33 C ATOM 1548 O PRO A 686 13.379 8.237 5.775 1.00 33.20 O ATOM 1549 CB PRO A 686 14.586 9.455 3.419 1.00 4.12 C ATOM 1550 CG PRO A 686 16.032 9.786 3.533 1.00 41.53 C ATOM 1551 CD PRO A 686 16.279 10.026 4.987 1.00 41.25 C ATOM 0 HA PRO A 686 13.336 11.088 4.203 1.00 13.25 H new ATOM 0 HB2 PRO A 686 14.419 8.382 3.515 1.00 4.12 H new ATOM 0 HB3 PRO A 686 14.188 9.754 2.449 1.00 4.12 H new ATOM 0 HG2 PRO A 686 16.651 8.970 3.160 1.00 41.53 H new ATOM 0 HG3 PRO A 686 16.279 10.669 2.943 1.00 41.53 H new ATOM 0 HD2 PRO A 686 16.543 9.107 5.509 1.00 41.25 H new ATOM 0 HD3 PRO A 686 17.096 10.730 5.148 1.00 41.25 H new ATOM 1559 N ARG A 687 11.727 9.731 5.505 1.00 74.34 N ATOM 1560 CA ARG A 687 10.832 8.939 6.304 1.00 63.54 C ATOM 1561 C ARG A 687 10.088 7.882 5.515 1.00 34.43 C ATOM 1562 O ARG A 687 10.236 7.797 4.285 1.00 74.44 O ATOM 1563 CB ARG A 687 9.994 9.779 7.341 1.00 32.23 C ATOM 1564 CG ARG A 687 9.011 10.872 6.874 1.00 23.43 C ATOM 1565 CD ARG A 687 7.641 10.361 6.382 1.00 4.34 C ATOM 1566 NE ARG A 687 7.721 9.677 5.152 1.00 25.22 N ATOM 1567 CZ ARG A 687 7.946 10.259 4.031 1.00 3.01 C ATOM 1568 NH1 ARG A 687 7.840 11.577 3.902 1.00 51.01 N ATOM 1569 NH2 ARG A 687 8.217 9.554 3.034 1.00 23.30 N ATOM 0 H ARG A 687 11.332 10.588 5.118 1.00 74.34 H new ATOM 0 HA ARG A 687 11.459 8.335 6.960 1.00 63.54 H new ATOM 0 HB2 ARG A 687 9.421 9.069 7.937 1.00 32.23 H new ATOM 0 HB3 ARG A 687 10.706 10.257 8.013 1.00 32.23 H new ATOM 0 HG2 ARG A 687 8.847 11.566 7.698 1.00 23.43 H new ATOM 0 HG3 ARG A 687 9.479 11.439 6.069 1.00 23.43 H new ATOM 0 HD2 ARG A 687 7.215 9.697 7.134 1.00 4.34 H new ATOM 0 HD3 ARG A 687 6.959 11.205 6.279 1.00 4.34 H new ATOM 0 HE ARG A 687 7.593 8.665 5.153 1.00 25.22 H new ATOM 0 HH11 ARG A 687 7.575 12.148 4.704 1.00 51.01 H new ATOM 0 HH12 ARG A 687 8.024 12.018 3.001 1.00 51.01 H new ATOM 0 HH21 ARG A 687 8.255 8.539 3.123 1.00 23.30 H new ATOM 0 HH22 ARG A 687 8.400 9.995 2.132 1.00 23.30 H new ATOM 1581 N ALA A 688 9.293 7.097 6.180 1.00 22.53 N ATOM 1582 CA ALA A 688 8.708 5.939 5.562 1.00 3.30 C ATOM 1583 C ALA A 688 7.214 5.870 5.755 1.00 53.01 C ATOM 1584 O ALA A 688 6.633 6.580 6.590 1.00 41.11 O ATOM 1585 CB ALA A 688 9.368 4.676 6.107 1.00 12.15 C ATOM 0 H ALA A 688 9.032 7.237 7.156 1.00 22.53 H new ATOM 0 HA ALA A 688 8.885 6.018 4.489 1.00 3.30 H new ATOM 0 HB1 ALA A 688 8.922 3.800 5.636 1.00 12.15 H new ATOM 0 HB2 ALA A 688 10.436 4.701 5.889 1.00 12.15 H new ATOM 0 HB3 ALA A 688 9.219 4.624 7.185 1.00 12.15 H new ATOM 1591 N THR A 689 6.611 5.065 4.942 1.00 22.52 N ATOM 1592 CA THR A 689 5.216 4.776 4.990 1.00 74.41 C ATOM 1593 C THR A 689 5.021 3.278 4.962 1.00 31.14 C ATOM 1594 O THR A 689 5.455 2.597 4.026 1.00 2.13 O ATOM 1595 CB THR A 689 4.495 5.464 3.829 1.00 34.11 C ATOM 1596 OG1 THR A 689 4.546 6.867 4.054 1.00 75.40 O ATOM 1597 CG2 THR A 689 3.050 5.000 3.682 1.00 32.01 C ATOM 0 H THR A 689 7.098 4.570 4.195 1.00 22.52 H new ATOM 0 HA THR A 689 4.785 5.162 5.914 1.00 74.41 H new ATOM 0 HB THR A 689 4.995 5.200 2.897 1.00 34.11 H new ATOM 0 HG1 THR A 689 4.879 7.041 4.959 1.00 75.40 H new ATOM 0 HG21 THR A 689 2.585 5.519 2.844 1.00 32.01 H new ATOM 0 HG22 THR A 689 3.030 3.926 3.500 1.00 32.01 H new ATOM 0 HG23 THR A 689 2.501 5.223 4.597 1.00 32.01 H new ATOM 1603 N LEU A 690 4.414 2.768 5.991 1.00 15.34 N ATOM 1604 CA LEU A 690 4.237 1.381 6.135 1.00 61.43 C ATOM 1605 C LEU A 690 2.742 1.053 6.156 1.00 60.14 C ATOM 1606 O LEU A 690 1.992 1.644 6.900 1.00 20.40 O ATOM 1607 CB LEU A 690 4.940 0.964 7.448 1.00 34.34 C ATOM 1608 CG LEU A 690 5.049 -0.528 7.794 1.00 72.03 C ATOM 1609 CD1 LEU A 690 5.911 -0.699 9.009 1.00 35.35 C ATOM 1610 CD2 LEU A 690 3.708 -1.145 8.081 1.00 64.13 C ATOM 0 H LEU A 690 4.028 3.322 6.755 1.00 15.34 H new ATOM 0 HA LEU A 690 4.672 0.830 5.301 1.00 61.43 H new ATOM 0 HB2 LEU A 690 5.951 1.370 7.423 1.00 34.34 H new ATOM 0 HB3 LEU A 690 4.419 1.455 8.270 1.00 34.34 H new ATOM 0 HG LEU A 690 5.482 -1.028 6.928 1.00 72.03 H new ATOM 0 HD11 LEU A 690 5.988 -1.758 9.254 1.00 35.35 H new ATOM 0 HD12 LEU A 690 6.905 -0.300 8.809 1.00 35.35 H new ATOM 0 HD13 LEU A 690 5.467 -0.164 9.848 1.00 35.35 H new ATOM 0 HD21 LEU A 690 3.837 -2.201 8.320 1.00 64.13 H new ATOM 0 HD22 LEU A 690 3.246 -0.635 8.926 1.00 64.13 H new ATOM 0 HD23 LEU A 690 3.067 -1.047 7.204 1.00 64.13 H new ATOM 1618 N ILE A 691 2.333 0.118 5.341 1.00 64.43 N ATOM 1619 CA ILE A 691 0.952 -0.359 5.337 1.00 22.41 C ATOM 1620 C ILE A 691 0.916 -1.672 6.093 1.00 52.41 C ATOM 1621 O ILE A 691 1.767 -2.511 5.885 1.00 43.01 O ATOM 1622 CB ILE A 691 0.379 -0.637 3.895 1.00 33.25 C ATOM 1623 CG1 ILE A 691 0.235 0.611 3.014 1.00 25.44 C ATOM 1624 CG2 ILE A 691 -0.954 -1.343 3.977 1.00 41.33 C ATOM 1625 CD1 ILE A 691 1.523 1.334 2.683 1.00 41.23 C ATOM 0 H ILE A 691 2.936 -0.341 4.658 1.00 64.43 H new ATOM 0 HA ILE A 691 0.342 0.424 5.788 1.00 22.41 H new ATOM 0 HB ILE A 691 1.124 -1.272 3.415 1.00 33.25 H new ATOM 0 HG12 ILE A 691 -0.247 0.320 2.081 1.00 25.44 H new ATOM 0 HG13 ILE A 691 -0.435 1.311 3.514 1.00 25.44 H new ATOM 0 HG21 ILE A 691 -1.332 -1.525 2.971 1.00 41.33 H new ATOM 0 HG22 ILE A 691 -0.831 -2.294 4.496 1.00 41.33 H new ATOM 0 HG23 ILE A 691 -1.663 -0.720 4.523 1.00 41.33 H new ATOM 0 HD11 ILE A 691 1.304 2.199 2.057 1.00 41.23 H new ATOM 0 HD12 ILE A 691 2.002 1.665 3.605 1.00 41.23 H new ATOM 0 HD13 ILE A 691 2.192 0.659 2.149 1.00 41.23 H new ATOM 1632 N THR A 692 -0.017 -1.835 6.971 1.00 74.34 N ATOM 1633 CA THR A 692 -0.170 -3.072 7.669 1.00 50.25 C ATOM 1634 C THR A 692 -1.463 -3.735 7.188 1.00 63.24 C ATOM 1635 O THR A 692 -2.555 -3.166 7.344 1.00 42.33 O ATOM 1636 CB THR A 692 -0.216 -2.814 9.182 1.00 24.44 C ATOM 1637 OG1 THR A 692 0.930 -2.017 9.530 1.00 32.33 O ATOM 1638 CG2 THR A 692 -0.151 -4.123 9.951 1.00 1.41 C ATOM 0 H THR A 692 -0.695 -1.117 7.226 1.00 74.34 H new ATOM 0 HA THR A 692 0.674 -3.732 7.468 1.00 50.25 H new ATOM 0 HB THR A 692 -1.146 -2.305 9.436 1.00 24.44 H new ATOM 0 HG1 THR A 692 1.145 -2.149 10.477 1.00 32.33 H new ATOM 0 HG21 THR A 692 -0.185 -3.918 11.021 1.00 1.41 H new ATOM 0 HG22 THR A 692 -0.999 -4.750 9.674 1.00 1.41 H new ATOM 0 HG23 THR A 692 0.777 -4.641 9.710 1.00 1.41 H new ATOM 1644 N PHE A 693 -1.338 -4.896 6.570 1.00 5.24 N ATOM 1645 CA PHE A 693 -2.481 -5.596 6.021 1.00 30.24 C ATOM 1646 C PHE A 693 -3.063 -6.520 7.052 1.00 42.41 C ATOM 1647 O PHE A 693 -2.406 -7.470 7.495 1.00 45.35 O ATOM 1648 CB PHE A 693 -2.092 -6.419 4.766 1.00 35.22 C ATOM 1649 CG PHE A 693 -1.438 -5.611 3.688 1.00 22.55 C ATOM 1650 CD1 PHE A 693 -2.192 -4.906 2.760 1.00 45.13 C ATOM 1651 CD2 PHE A 693 -0.065 -5.529 3.629 1.00 74.31 C ATOM 1652 CE1 PHE A 693 -1.566 -4.131 1.795 1.00 24.30 C ATOM 1653 CE2 PHE A 693 0.558 -4.769 2.670 1.00 63.44 C ATOM 1654 CZ PHE A 693 -0.193 -4.068 1.756 1.00 14.31 C ATOM 0 H PHE A 693 -0.448 -5.375 6.436 1.00 5.24 H new ATOM 0 HA PHE A 693 -3.218 -4.847 5.732 1.00 30.24 H new ATOM 0 HB2 PHE A 693 -1.417 -7.221 5.065 1.00 35.22 H new ATOM 0 HB3 PHE A 693 -2.988 -6.890 4.361 1.00 35.22 H new ATOM 0 HD1 PHE A 693 -3.270 -4.961 2.789 1.00 45.13 H new ATOM 0 HD2 PHE A 693 0.531 -6.071 4.348 1.00 74.31 H new ATOM 0 HE1 PHE A 693 -2.155 -3.579 1.077 1.00 24.30 H new ATOM 0 HE2 PHE A 693 1.636 -4.722 2.634 1.00 63.44 H new ATOM 0 HZ PHE A 693 0.297 -3.466 1.005 1.00 14.31 H new ATOM 1664 N LEU A 694 -4.262 -6.236 7.445 1.00 11.13 N ATOM 1665 CA LEU A 694 -4.976 -7.082 8.337 1.00 74.40 C ATOM 1666 C LEU A 694 -6.091 -7.708 7.576 1.00 63.34 C ATOM 1667 O LEU A 694 -6.576 -7.138 6.601 1.00 22.00 O ATOM 1668 CB LEU A 694 -5.560 -6.342 9.563 1.00 5.34 C ATOM 1669 CG LEU A 694 -4.587 -5.728 10.581 1.00 44.23 C ATOM 1670 CD1 LEU A 694 -3.855 -4.519 10.027 1.00 62.14 C ATOM 1671 CD2 LEU A 694 -5.324 -5.375 11.850 1.00 51.33 C ATOM 0 H LEU A 694 -4.775 -5.404 7.153 1.00 11.13 H new ATOM 0 HA LEU A 694 -4.272 -7.817 8.727 1.00 74.40 H new ATOM 0 HB2 LEU A 694 -6.201 -5.542 9.193 1.00 5.34 H new ATOM 0 HB3 LEU A 694 -6.201 -7.042 10.098 1.00 5.34 H new ATOM 0 HG LEU A 694 -3.827 -6.477 10.803 1.00 44.23 H new ATOM 0 HD11 LEU A 694 -3.180 -4.123 10.786 1.00 62.14 H new ATOM 0 HD12 LEU A 694 -3.281 -4.813 9.148 1.00 62.14 H new ATOM 0 HD13 LEU A 694 -4.578 -3.752 9.749 1.00 62.14 H new ATOM 0 HD21 LEU A 694 -4.627 -4.940 12.567 1.00 51.33 H new ATOM 0 HD22 LEU A 694 -6.110 -4.654 11.626 1.00 51.33 H new ATOM 0 HD23 LEU A 694 -5.768 -6.275 12.276 1.00 51.33 H new ATOM 1679 N CYS A 695 -6.508 -8.849 8.001 1.00 31.13 N ATOM 1680 CA CYS A 695 -7.589 -9.526 7.347 1.00 71.34 C ATOM 1681 C CYS A 695 -8.816 -9.404 8.235 1.00 53.31 C ATOM 1682 O CYS A 695 -9.802 -10.137 8.106 1.00 11.45 O ATOM 1683 CB CYS A 695 -7.215 -10.983 7.106 1.00 55.14 C ATOM 1684 SG CYS A 695 -8.362 -11.892 6.025 1.00 13.24 S ATOM 0 H CYS A 695 -6.118 -9.342 8.804 1.00 31.13 H new ATOM 0 HA CYS A 695 -7.801 -9.081 6.375 1.00 71.34 H new ATOM 0 HB2 CYS A 695 -6.217 -11.020 6.668 1.00 55.14 H new ATOM 0 HB3 CYS A 695 -7.161 -11.494 8.067 1.00 55.14 H new ATOM 1689 N ASP A 696 -8.732 -8.445 9.129 1.00 12.42 N ATOM 1690 CA ASP A 696 -9.805 -8.101 10.033 1.00 71.10 C ATOM 1691 C ASP A 696 -10.777 -7.273 9.229 1.00 73.25 C ATOM 1692 O ASP A 696 -10.360 -6.321 8.597 1.00 4.52 O ATOM 1693 CB ASP A 696 -9.229 -7.277 11.200 1.00 45.54 C ATOM 1694 CG ASP A 696 -10.237 -6.919 12.274 1.00 51.13 C ATOM 1695 OD1 ASP A 696 -10.381 -7.695 13.246 1.00 11.12 O ATOM 1696 OD2 ASP A 696 -10.861 -5.841 12.192 1.00 41.32 O ATOM 0 H ASP A 696 -7.898 -7.870 9.250 1.00 12.42 H new ATOM 0 HA ASP A 696 -10.296 -8.980 10.450 1.00 71.10 H new ATOM 0 HB2 ASP A 696 -8.414 -7.838 11.657 1.00 45.54 H new ATOM 0 HB3 ASP A 696 -8.799 -6.358 10.802 1.00 45.54 H new ATOM 1745 N GLY A 700 -13.053 -6.909 0.791 1.00 41.11 N ATOM 1746 CA GLY A 700 -12.589 -7.200 -0.534 1.00 61.32 C ATOM 1747 C GLY A 700 -11.098 -7.010 -0.653 1.00 61.44 C ATOM 1748 O GLY A 700 -10.318 -7.700 0.028 1.00 13.52 O ATOM 0 HA2 GLY A 700 -12.848 -8.227 -0.794 1.00 61.32 H new ATOM 0 HA3 GLY A 700 -13.097 -6.553 -1.249 1.00 61.32 H new ATOM 1752 N VAL A 701 -10.695 -6.042 -1.463 1.00 1.33 N ATOM 1753 CA VAL A 701 -9.288 -5.777 -1.713 1.00 12.31 C ATOM 1754 C VAL A 701 -8.725 -4.950 -0.567 1.00 61.31 C ATOM 1755 O VAL A 701 -7.528 -5.005 -0.260 1.00 0.23 O ATOM 1756 CB VAL A 701 -9.068 -5.037 -3.065 1.00 13.40 C ATOM 1757 CG1 VAL A 701 -7.592 -4.932 -3.391 1.00 62.31 C ATOM 1758 CG2 VAL A 701 -9.820 -5.726 -4.196 1.00 30.33 C ATOM 0 H VAL A 701 -11.332 -5.421 -1.963 1.00 1.33 H new ATOM 0 HA VAL A 701 -8.767 -6.732 -1.778 1.00 12.31 H new ATOM 0 HB VAL A 701 -9.467 -4.028 -2.960 1.00 13.40 H new ATOM 0 HG11 VAL A 701 -7.465 -4.411 -4.340 1.00 62.31 H new ATOM 0 HG12 VAL A 701 -7.084 -4.378 -2.602 1.00 62.31 H new ATOM 0 HG13 VAL A 701 -7.164 -5.932 -3.466 1.00 62.31 H new ATOM 0 HG21 VAL A 701 -9.648 -5.188 -5.128 1.00 30.33 H new ATOM 0 HG22 VAL A 701 -9.464 -6.751 -4.298 1.00 30.33 H new ATOM 0 HG23 VAL A 701 -10.887 -5.733 -3.972 1.00 30.33 H new ATOM 1764 N GLY A 702 -9.590 -4.224 0.074 1.00 32.22 N ATOM 1765 CA GLY A 702 -9.212 -3.461 1.211 1.00 14.52 C ATOM 1766 C GLY A 702 -8.864 -2.040 0.897 1.00 34.13 C ATOM 1767 O GLY A 702 -8.390 -1.722 -0.200 1.00 2.44 O ATOM 0 H GLY A 702 -10.575 -4.148 -0.181 1.00 32.22 H new ATOM 0 HA2 GLY A 702 -10.028 -3.474 1.933 1.00 14.52 H new ATOM 0 HA3 GLY A 702 -8.356 -3.938 1.689 1.00 14.52 H new ATOM 1771 N PHE A 703 -9.121 -1.190 1.845 1.00 12.05 N ATOM 1772 CA PHE A 703 -8.808 0.201 1.739 1.00 20.53 C ATOM 1773 C PHE A 703 -7.815 0.578 2.847 1.00 53.24 C ATOM 1774 O PHE A 703 -8.004 0.173 4.007 1.00 44.43 O ATOM 1775 CB PHE A 703 -10.097 1.025 1.850 1.00 11.03 C ATOM 1776 CG PHE A 703 -9.906 2.496 1.650 1.00 52.54 C ATOM 1777 CD1 PHE A 703 -9.745 3.009 0.379 1.00 15.33 C ATOM 1778 CD2 PHE A 703 -9.891 3.366 2.730 1.00 13.40 C ATOM 1779 CE1 PHE A 703 -9.568 4.352 0.180 1.00 53.34 C ATOM 1780 CE2 PHE A 703 -9.713 4.718 2.535 1.00 30.54 C ATOM 1781 CZ PHE A 703 -9.550 5.208 1.257 1.00 71.42 C ATOM 0 H PHE A 703 -9.561 -1.449 2.728 1.00 12.05 H new ATOM 0 HA PHE A 703 -8.349 0.412 0.773 1.00 20.53 H new ATOM 0 HB2 PHE A 703 -10.813 0.660 1.113 1.00 11.03 H new ATOM 0 HB3 PHE A 703 -10.538 0.858 2.833 1.00 11.03 H new ATOM 0 HD1 PHE A 703 -9.759 2.342 -0.470 1.00 15.33 H new ATOM 0 HD2 PHE A 703 -10.020 2.981 3.731 1.00 13.40 H new ATOM 0 HE1 PHE A 703 -9.443 4.739 -0.821 1.00 53.34 H new ATOM 0 HE2 PHE A 703 -9.701 5.391 3.380 1.00 30.54 H new ATOM 0 HZ PHE A 703 -9.408 6.267 1.101 1.00 71.42 H new ATOM 1791 N PRO A 704 -6.741 1.313 2.520 1.00 70.11 N ATOM 1792 CA PRO A 704 -5.778 1.769 3.516 1.00 23.11 C ATOM 1793 C PRO A 704 -6.283 2.997 4.270 1.00 3.33 C ATOM 1794 O PRO A 704 -6.853 3.899 3.684 1.00 42.51 O ATOM 1795 CB PRO A 704 -4.552 2.143 2.685 1.00 12.42 C ATOM 1796 CG PRO A 704 -5.090 2.514 1.342 1.00 14.53 C ATOM 1797 CD PRO A 704 -6.376 1.743 1.156 1.00 34.40 C ATOM 0 HA PRO A 704 -5.584 1.009 4.273 1.00 23.11 H new ATOM 0 HB2 PRO A 704 -4.009 2.974 3.135 1.00 12.42 H new ATOM 0 HB3 PRO A 704 -3.855 1.308 2.613 1.00 12.42 H new ATOM 0 HG2 PRO A 704 -5.271 3.587 1.282 1.00 14.53 H new ATOM 0 HG3 PRO A 704 -4.375 2.267 0.558 1.00 14.53 H new ATOM 0 HD2 PRO A 704 -7.153 2.366 0.713 1.00 34.40 H new ATOM 0 HD3 PRO A 704 -6.236 0.889 0.493 1.00 34.40 H new ATOM 1805 N GLU A 705 -6.084 3.009 5.551 1.00 24.32 N ATOM 1806 CA GLU A 705 -6.481 4.114 6.380 1.00 71.54 C ATOM 1807 C GLU A 705 -5.297 4.602 7.196 1.00 13.31 C ATOM 1808 O GLU A 705 -4.425 3.823 7.549 1.00 1.14 O ATOM 1809 CB GLU A 705 -7.643 3.699 7.259 1.00 12.52 C ATOM 1810 CG GLU A 705 -8.894 3.352 6.456 1.00 33.22 C ATOM 1811 CD GLU A 705 -10.057 2.980 7.325 1.00 4.13 C ATOM 1812 OE1 GLU A 705 -10.197 1.786 7.671 1.00 14.12 O ATOM 1813 OE2 GLU A 705 -10.856 3.880 7.680 1.00 14.34 O ATOM 0 H GLU A 705 -5.637 2.246 6.060 1.00 24.32 H new ATOM 0 HA GLU A 705 -6.814 4.945 5.757 1.00 71.54 H new ATOM 0 HB2 GLU A 705 -7.350 2.837 7.858 1.00 12.52 H new ATOM 0 HB3 GLU A 705 -7.874 4.506 7.954 1.00 12.52 H new ATOM 0 HG2 GLU A 705 -9.169 4.204 5.834 1.00 33.22 H new ATOM 0 HG3 GLU A 705 -8.670 2.525 5.783 1.00 33.22 H new ATOM 1820 N TYR A 706 -5.263 5.869 7.486 1.00 43.05 N ATOM 1821 CA TYR A 706 -4.116 6.475 8.142 1.00 63.25 C ATOM 1822 C TYR A 706 -4.109 6.268 9.656 1.00 12.21 C ATOM 1823 O TYR A 706 -5.039 6.678 10.355 1.00 22.41 O ATOM 1824 CB TYR A 706 -4.042 7.974 7.781 1.00 75.22 C ATOM 1825 CG TYR A 706 -2.924 8.746 8.462 1.00 21.43 C ATOM 1826 CD1 TYR A 706 -1.624 8.262 8.479 1.00 53.31 C ATOM 1827 CD2 TYR A 706 -3.174 9.971 9.075 1.00 71.45 C ATOM 1828 CE1 TYR A 706 -0.613 8.965 9.088 1.00 54.21 C ATOM 1829 CE2 TYR A 706 -2.160 10.685 9.685 1.00 32.01 C ATOM 1830 CZ TYR A 706 -0.882 10.174 9.689 1.00 33.24 C ATOM 1831 OH TYR A 706 0.135 10.879 10.302 1.00 63.23 O ATOM 0 H TYR A 706 -6.021 6.519 7.280 1.00 43.05 H new ATOM 0 HA TYR A 706 -3.225 5.968 7.772 1.00 63.25 H new ATOM 0 HB2 TYR A 706 -3.921 8.066 6.702 1.00 75.22 H new ATOM 0 HB3 TYR A 706 -4.993 8.441 8.037 1.00 75.22 H new ATOM 0 HD1 TYR A 706 -1.403 7.317 8.006 1.00 53.31 H new ATOM 0 HD2 TYR A 706 -4.178 10.370 9.074 1.00 71.45 H new ATOM 0 HE1 TYR A 706 0.392 8.570 9.095 1.00 54.21 H new ATOM 0 HE2 TYR A 706 -2.368 11.635 10.154 1.00 32.01 H new ATOM 0 HH TYR A 706 0.903 10.938 9.697 1.00 63.23 H new ATOM 1841 N GLN A 707 -3.056 5.622 10.154 1.00 41.11 N ATOM 1842 CA GLN A 707 -2.860 5.467 11.582 1.00 73.33 C ATOM 1843 C GLN A 707 -1.908 6.555 11.997 1.00 70.14 C ATOM 1844 O GLN A 707 -0.748 6.576 11.538 1.00 32.14 O ATOM 1845 CB GLN A 707 -2.175 4.138 11.950 1.00 43.01 C ATOM 1846 CG GLN A 707 -2.747 2.887 11.333 1.00 11.22 C ATOM 1847 CD GLN A 707 -2.121 1.617 11.916 1.00 71.42 C ATOM 1848 OE1 GLN A 707 -2.745 0.564 11.957 1.00 2.53 O ATOM 1849 NE2 GLN A 707 -0.905 1.718 12.403 1.00 11.34 N ATOM 0 H GLN A 707 -2.326 5.198 9.581 1.00 41.11 H new ATOM 0 HA GLN A 707 -3.835 5.501 12.068 1.00 73.33 H new ATOM 0 HB2 GLN A 707 -1.125 4.207 11.667 1.00 43.01 H new ATOM 0 HB3 GLN A 707 -2.207 4.028 13.034 1.00 43.01 H new ATOM 0 HG2 GLN A 707 -3.825 2.865 11.493 1.00 11.22 H new ATOM 0 HG3 GLN A 707 -2.585 2.908 10.255 1.00 11.22 H new ATOM 0 HE21 GLN A 707 -0.409 2.608 12.355 1.00 11.34 H new ATOM 0 HE22 GLN A 707 -0.457 0.907 12.829 1.00 11.34 H new ATOM 1912 N SER A 712 5.609 11.830 11.725 1.00 31.24 N ATOM 1913 CA SER A 712 6.546 11.526 10.680 1.00 74.31 C ATOM 1914 C SER A 712 6.484 10.039 10.279 1.00 74.12 C ATOM 1915 O SER A 712 6.838 9.681 9.169 1.00 32.15 O ATOM 1916 CB SER A 712 7.947 11.940 11.108 1.00 11.31 C ATOM 1917 OG SER A 712 7.951 13.318 11.468 1.00 45.25 O ATOM 0 HA SER A 712 6.276 12.097 9.792 1.00 74.31 H new ATOM 0 HB2 SER A 712 8.274 11.333 11.952 1.00 11.31 H new ATOM 0 HB3 SER A 712 8.653 11.764 10.296 1.00 11.31 H new ATOM 0 HG SER A 712 7.083 13.558 11.855 1.00 45.25 H new ATOM 1923 N THR A 713 6.036 9.177 11.169 1.00 33.54 N ATOM 1924 CA THR A 713 5.876 7.780 10.798 1.00 3.12 C ATOM 1925 C THR A 713 4.426 7.496 10.421 1.00 62.14 C ATOM 1926 O THR A 713 3.541 7.387 11.283 1.00 11.33 O ATOM 1927 CB THR A 713 6.361 6.799 11.886 1.00 32.20 C ATOM 1928 OG1 THR A 713 7.735 7.082 12.189 1.00 32.20 O ATOM 1929 CG2 THR A 713 6.257 5.354 11.391 1.00 73.45 C ATOM 0 H THR A 713 5.781 9.406 12.130 1.00 33.54 H new ATOM 0 HA THR A 713 6.516 7.612 9.932 1.00 3.12 H new ATOM 0 HB THR A 713 5.738 6.919 12.772 1.00 32.20 H new ATOM 0 HG1 THR A 713 8.051 6.464 12.881 1.00 32.20 H new ATOM 0 HG21 THR A 713 6.603 4.676 12.171 1.00 73.45 H new ATOM 0 HG22 THR A 713 5.219 5.127 11.147 1.00 73.45 H new ATOM 0 HG23 THR A 713 6.874 5.229 10.501 1.00 73.45 H new ATOM 1935 N TYR A 714 4.193 7.406 9.139 1.00 60.44 N ATOM 1936 CA TYR A 714 2.876 7.182 8.610 1.00 51.10 C ATOM 1937 C TYR A 714 2.648 5.695 8.442 1.00 5.21 C ATOM 1938 O TYR A 714 3.289 5.047 7.601 1.00 4.21 O ATOM 1939 CB TYR A 714 2.719 7.885 7.251 1.00 23.12 C ATOM 1940 CG TYR A 714 2.918 9.394 7.276 1.00 23.34 C ATOM 1941 CD1 TYR A 714 4.188 9.945 7.292 1.00 53.34 C ATOM 1942 CD2 TYR A 714 1.835 10.262 7.267 1.00 14.20 C ATOM 1943 CE1 TYR A 714 4.374 11.310 7.302 1.00 2.24 C ATOM 1944 CE2 TYR A 714 2.016 11.635 7.270 1.00 0.14 C ATOM 1945 CZ TYR A 714 3.291 12.150 7.287 1.00 11.11 C ATOM 1946 OH TYR A 714 3.495 13.518 7.269 1.00 55.35 O ATOM 0 H TYR A 714 4.919 7.487 8.427 1.00 60.44 H new ATOM 0 HA TYR A 714 2.141 7.591 9.303 1.00 51.10 H new ATOM 0 HB2 TYR A 714 3.433 7.452 6.551 1.00 23.12 H new ATOM 0 HB3 TYR A 714 1.723 7.672 6.863 1.00 23.12 H new ATOM 0 HD1 TYR A 714 5.049 9.293 7.297 1.00 53.34 H new ATOM 0 HD2 TYR A 714 0.833 9.859 7.257 1.00 14.20 H new ATOM 0 HE1 TYR A 714 5.374 11.718 7.322 1.00 2.24 H new ATOM 0 HE2 TYR A 714 1.162 12.296 7.259 1.00 0.14 H new ATOM 0 HH TYR A 714 2.630 13.978 7.259 1.00 55.35 H new ATOM 1956 N ASN A 715 1.775 5.143 9.241 1.00 2.42 N ATOM 1957 CA ASN A 715 1.473 3.736 9.140 1.00 73.21 C ATOM 1958 C ASN A 715 0.033 3.621 8.704 1.00 54.11 C ATOM 1959 O ASN A 715 -0.798 4.429 9.100 1.00 51.45 O ATOM 1960 CB ASN A 715 1.692 3.024 10.479 1.00 14.22 C ATOM 1961 CG ASN A 715 1.930 1.519 10.324 1.00 2.21 C ATOM 1962 OD1 ASN A 715 3.068 1.086 10.208 1.00 45.20 O ATOM 1963 ND2 ASN A 715 0.889 0.727 10.327 1.00 42.24 N ATOM 0 H ASN A 715 1.261 5.642 9.967 1.00 2.42 H new ATOM 0 HA ASN A 715 2.136 3.258 8.419 1.00 73.21 H new ATOM 0 HB2 ASN A 715 2.547 3.471 10.987 1.00 14.22 H new ATOM 0 HB3 ASN A 715 0.823 3.185 11.116 1.00 14.22 H new ATOM 0 HD21 ASN A 715 1.015 -0.281 10.231 1.00 42.24 H new ATOM 0 HD22 ASN A 715 -0.048 1.117 10.425 1.00 42.24 H new ATOM 1969 N PHE A 716 -0.261 2.670 7.880 1.00 44.52 N ATOM 1970 CA PHE A 716 -1.585 2.524 7.349 1.00 54.53 C ATOM 1971 C PHE A 716 -2.272 1.247 7.759 1.00 13.31 C ATOM 1972 O PHE A 716 -1.679 0.173 7.783 1.00 64.43 O ATOM 1973 CB PHE A 716 -1.605 2.758 5.836 1.00 34.52 C ATOM 1974 CG PHE A 716 -1.410 4.211 5.483 1.00 71.52 C ATOM 1975 CD1 PHE A 716 -0.146 4.779 5.449 1.00 71.23 C ATOM 1976 CD2 PHE A 716 -2.502 5.016 5.205 1.00 62.13 C ATOM 1977 CE1 PHE A 716 0.021 6.117 5.147 1.00 72.14 C ATOM 1978 CE2 PHE A 716 -2.338 6.351 4.900 1.00 31.34 C ATOM 1979 CZ PHE A 716 -1.074 6.901 4.872 1.00 34.31 C ATOM 0 H PHE A 716 0.406 1.971 7.553 1.00 44.52 H new ATOM 0 HA PHE A 716 -2.187 3.309 7.807 1.00 54.53 H new ATOM 0 HB2 PHE A 716 -0.821 2.163 5.367 1.00 34.52 H new ATOM 0 HB3 PHE A 716 -2.555 2.411 5.429 1.00 34.52 H new ATOM 0 HD1 PHE A 716 0.719 4.168 5.661 1.00 71.23 H new ATOM 0 HD2 PHE A 716 -3.495 4.593 5.227 1.00 62.13 H new ATOM 0 HE1 PHE A 716 1.012 6.547 5.127 1.00 72.14 H new ATOM 0 HE2 PHE A 716 -3.199 6.965 4.683 1.00 31.34 H new ATOM 0 HZ PHE A 716 -0.944 7.947 4.634 1.00 34.31 H new ATOM 1989 N ARG A 717 -3.519 1.403 8.094 1.00 73.13 N ATOM 1990 CA ARG A 717 -4.394 0.360 8.547 1.00 42.45 C ATOM 1991 C ARG A 717 -5.169 -0.127 7.327 1.00 63.31 C ATOM 1992 O ARG A 717 -6.011 0.584 6.807 1.00 71.14 O ATOM 1993 CB ARG A 717 -5.369 0.986 9.559 1.00 52.20 C ATOM 1994 CG ARG A 717 -6.233 0.034 10.362 1.00 30.41 C ATOM 1995 CD ARG A 717 -5.399 -0.792 11.320 1.00 61.33 C ATOM 1996 NE ARG A 717 -6.220 -1.580 12.243 1.00 55.21 N ATOM 1997 CZ ARG A 717 -5.749 -2.238 13.305 1.00 53.33 C ATOM 1998 NH1 ARG A 717 -4.456 -2.165 13.607 1.00 62.51 N ATOM 1999 NH2 ARG A 717 -6.571 -2.951 14.072 1.00 60.21 N ATOM 0 H ARG A 717 -3.979 2.313 8.057 1.00 73.13 H new ATOM 0 HA ARG A 717 -3.855 -0.466 9.011 1.00 42.45 H new ATOM 0 HB2 ARG A 717 -4.790 1.590 10.258 1.00 52.20 H new ATOM 0 HB3 ARG A 717 -6.027 1.667 9.019 1.00 52.20 H new ATOM 0 HG2 ARG A 717 -6.979 0.600 10.921 1.00 30.41 H new ATOM 0 HG3 ARG A 717 -6.775 -0.627 9.686 1.00 30.41 H new ATOM 0 HD2 ARG A 717 -4.754 -1.461 10.751 1.00 61.33 H new ATOM 0 HD3 ARG A 717 -4.747 -0.131 11.892 1.00 61.33 H new ATOM 0 HE ARG A 717 -7.222 -1.629 12.061 1.00 55.21 H new ATOM 0 HH11 ARG A 717 -3.828 -1.608 13.028 1.00 62.51 H new ATOM 0 HH12 ARG A 717 -4.093 -2.666 14.418 1.00 62.51 H new ATOM 0 HH21 ARG A 717 -7.565 -2.996 13.849 1.00 60.21 H new ATOM 0 HH22 ARG A 717 -6.206 -3.452 14.882 1.00 60.21 H new ATOM 2011 N TRP A 718 -4.855 -1.281 6.854 1.00 71.30 N ATOM 2012 CA TRP A 718 -5.478 -1.801 5.656 1.00 62.13 C ATOM 2013 C TRP A 718 -6.247 -3.070 6.012 1.00 51.32 C ATOM 2014 O TRP A 718 -5.659 -4.043 6.482 1.00 42.42 O ATOM 2015 CB TRP A 718 -4.375 -2.108 4.617 1.00 72.20 C ATOM 2016 CG TRP A 718 -4.842 -2.446 3.217 1.00 32.13 C ATOM 2017 CD1 TRP A 718 -5.762 -3.378 2.848 1.00 44.22 C ATOM 2018 CD2 TRP A 718 -4.348 -1.875 1.987 1.00 43.23 C ATOM 2019 NE1 TRP A 718 -5.890 -3.402 1.484 1.00 5.33 N ATOM 2020 CE2 TRP A 718 -5.039 -2.498 0.936 1.00 32.42 C ATOM 2021 CE3 TRP A 718 -3.396 -0.891 1.673 1.00 3.45 C ATOM 2022 CZ2 TRP A 718 -4.816 -2.181 -0.393 1.00 73.52 C ATOM 2023 CZ3 TRP A 718 -3.179 -0.581 0.350 1.00 44.34 C ATOM 2024 CH2 TRP A 718 -3.886 -1.221 -0.665 1.00 21.45 C ATOM 0 H TRP A 718 -4.163 -1.901 7.274 1.00 71.30 H new ATOM 0 HA TRP A 718 -6.172 -1.074 5.234 1.00 62.13 H new ATOM 0 HB2 TRP A 718 -3.713 -1.244 4.557 1.00 72.20 H new ATOM 0 HB3 TRP A 718 -3.779 -2.941 4.988 1.00 72.20 H new ATOM 0 HD1 TRP A 718 -6.312 -4.008 3.531 1.00 44.22 H new ATOM 0 HE1 TRP A 718 -6.526 -4.005 0.962 1.00 5.33 H new ATOM 0 HE3 TRP A 718 -2.845 -0.388 2.454 1.00 3.45 H new ATOM 0 HZ2 TRP A 718 -5.358 -2.676 -1.185 1.00 73.52 H new ATOM 0 HZ3 TRP A 718 -2.448 0.172 0.094 1.00 44.34 H new ATOM 0 HH2 TRP A 718 -3.693 -0.951 -1.693 1.00 21.45 H new ATOM 2035 N TYR A 719 -7.544 -3.049 5.819 1.00 71.11 N ATOM 2036 CA TYR A 719 -8.370 -4.219 6.081 1.00 73.43 C ATOM 2037 C TYR A 719 -8.695 -4.901 4.772 1.00 72.11 C ATOM 2038 O TYR A 719 -9.468 -4.379 3.978 1.00 4.45 O ATOM 2039 CB TYR A 719 -9.667 -3.828 6.793 1.00 42.35 C ATOM 2040 CG TYR A 719 -9.463 -3.156 8.128 1.00 74.52 C ATOM 2041 CD1 TYR A 719 -8.797 -3.806 9.153 1.00 52.53 C ATOM 2042 CD2 TYR A 719 -9.935 -1.874 8.364 1.00 63.51 C ATOM 2043 CE1 TYR A 719 -8.608 -3.207 10.369 1.00 23.11 C ATOM 2044 CE2 TYR A 719 -9.749 -1.265 9.584 1.00 21.42 C ATOM 2045 CZ TYR A 719 -9.087 -1.937 10.582 1.00 33.11 C ATOM 2046 OH TYR A 719 -8.894 -1.338 11.804 1.00 23.21 O ATOM 0 H TYR A 719 -8.058 -2.236 5.481 1.00 71.11 H new ATOM 0 HA TYR A 719 -7.817 -4.898 6.730 1.00 73.43 H new ATOM 0 HB2 TYR A 719 -10.236 -3.160 6.146 1.00 42.35 H new ATOM 0 HB3 TYR A 719 -10.272 -4.723 6.938 1.00 42.35 H new ATOM 0 HD1 TYR A 719 -8.419 -4.805 8.990 1.00 52.53 H new ATOM 0 HD2 TYR A 719 -10.456 -1.346 7.579 1.00 63.51 H new ATOM 0 HE1 TYR A 719 -8.085 -3.730 11.157 1.00 23.11 H new ATOM 0 HE2 TYR A 719 -10.121 -0.266 9.755 1.00 21.42 H new ATOM 0 HH TYR A 719 -9.290 -0.442 11.795 1.00 23.21 H new ATOM 2056 N THR A 720 -8.101 -6.042 4.541 1.00 2.21 N ATOM 2057 CA THR A 720 -8.276 -6.747 3.297 1.00 12.34 C ATOM 2058 C THR A 720 -8.535 -8.227 3.504 1.00 71.10 C ATOM 2059 O THR A 720 -7.972 -8.847 4.402 1.00 4.33 O ATOM 2060 CB THR A 720 -7.078 -6.538 2.334 1.00 74.52 C ATOM 2061 OG1 THR A 720 -7.258 -7.289 1.132 1.00 21.02 O ATOM 2062 CG2 THR A 720 -5.767 -6.916 2.970 1.00 34.05 C ATOM 0 H THR A 720 -7.484 -6.508 5.206 1.00 2.21 H new ATOM 0 HA THR A 720 -9.163 -6.316 2.832 1.00 12.34 H new ATOM 0 HB THR A 720 -7.046 -5.474 2.098 1.00 74.52 H new ATOM 0 HG1 THR A 720 -7.234 -6.684 0.361 1.00 21.02 H new ATOM 0 HG21 THR A 720 -4.957 -6.753 2.259 1.00 34.05 H new ATOM 0 HG22 THR A 720 -5.602 -6.302 3.855 1.00 34.05 H new ATOM 0 HG23 THR A 720 -5.792 -7.967 3.257 1.00 34.05 H new ATOM 2068 N SER A 721 -9.383 -8.788 2.667 1.00 65.15 N ATOM 2069 CA SER A 721 -9.696 -10.196 2.720 1.00 5.40 C ATOM 2070 C SER A 721 -8.472 -10.993 2.226 1.00 32.14 C ATOM 2071 O SER A 721 -8.250 -12.151 2.614 1.00 23.44 O ATOM 2072 CB SER A 721 -10.914 -10.473 1.835 1.00 61.21 C ATOM 2073 OG SER A 721 -11.391 -11.805 1.979 1.00 12.33 O ATOM 0 H SER A 721 -9.873 -8.278 1.932 1.00 65.15 H new ATOM 0 HA SER A 721 -9.931 -10.499 3.740 1.00 5.40 H new ATOM 0 HB2 SER A 721 -11.711 -9.774 2.088 1.00 61.21 H new ATOM 0 HB3 SER A 721 -10.652 -10.294 0.792 1.00 61.21 H new ATOM 0 HG SER A 721 -12.169 -11.938 1.398 1.00 12.33 H new ATOM 2079 N TYR A 722 -7.660 -10.342 1.394 1.00 23.04 N ATOM 2080 CA TYR A 722 -6.469 -10.956 0.826 1.00 5.35 C ATOM 2081 C TYR A 722 -5.446 -11.317 1.887 1.00 11.24 C ATOM 2082 O TYR A 722 -4.678 -12.242 1.702 1.00 43.41 O ATOM 2083 CB TYR A 722 -5.822 -10.054 -0.225 1.00 42.44 C ATOM 2084 CG TYR A 722 -6.609 -9.909 -1.505 1.00 22.14 C ATOM 2085 CD1 TYR A 722 -7.681 -9.038 -1.602 1.00 5.24 C ATOM 2086 CD2 TYR A 722 -6.258 -10.637 -2.628 1.00 13.24 C ATOM 2087 CE1 TYR A 722 -8.377 -8.900 -2.785 1.00 64.03 C ATOM 2088 CE2 TYR A 722 -6.952 -10.507 -3.805 1.00 55.35 C ATOM 2089 CZ TYR A 722 -8.009 -9.633 -3.881 1.00 75.54 C ATOM 2090 OH TYR A 722 -8.692 -9.486 -5.067 1.00 4.20 O ATOM 0 H TYR A 722 -7.812 -9.378 1.098 1.00 23.04 H new ATOM 0 HA TYR A 722 -6.801 -11.877 0.348 1.00 5.35 H new ATOM 0 HB2 TYR A 722 -5.673 -9.065 0.208 1.00 42.44 H new ATOM 0 HB3 TYR A 722 -4.835 -10.449 -0.465 1.00 42.44 H new ATOM 0 HD1 TYR A 722 -7.976 -8.459 -0.740 1.00 5.24 H new ATOM 0 HD2 TYR A 722 -5.423 -11.320 -2.578 1.00 13.24 H new ATOM 0 HE1 TYR A 722 -9.210 -8.215 -2.846 1.00 64.03 H new ATOM 0 HE2 TYR A 722 -6.668 -11.090 -4.669 1.00 55.35 H new ATOM 0 HH TYR A 722 -8.303 -10.078 -5.744 1.00 4.20 H new ATOM 2100 N ALA A 723 -5.466 -10.603 3.019 1.00 51.44 N ATOM 2101 CA ALA A 723 -4.495 -10.812 4.104 1.00 23.13 C ATOM 2102 C ALA A 723 -4.705 -12.131 4.893 1.00 24.41 C ATOM 2103 O ALA A 723 -4.043 -12.360 5.910 1.00 65.40 O ATOM 2104 CB ALA A 723 -4.477 -9.619 5.040 1.00 70.01 C ATOM 0 H ALA A 723 -6.149 -9.870 3.210 1.00 51.44 H new ATOM 0 HA ALA A 723 -3.522 -10.909 3.622 1.00 23.13 H new ATOM 0 HB1 ALA A 723 -3.753 -9.792 5.836 1.00 70.01 H new ATOM 0 HB2 ALA A 723 -4.198 -8.724 4.484 1.00 70.01 H new ATOM 0 HB3 ALA A 723 -5.467 -9.482 5.474 1.00 70.01 H new ATOM 2110 N CYS A 724 -5.590 -12.985 4.420 1.00 30.24 N ATOM 2111 CA CYS A 724 -5.778 -14.289 5.032 1.00 31.25 C ATOM 2112 C CYS A 724 -5.146 -15.356 4.158 1.00 2.41 C ATOM 2113 O CYS A 724 -5.459 -15.455 2.968 1.00 72.40 O ATOM 2114 CB CYS A 724 -7.276 -14.638 5.236 1.00 13.03 C ATOM 2115 SG CYS A 724 -8.127 -13.795 6.622 1.00 43.12 S ATOM 0 H CYS A 724 -6.190 -12.802 3.616 1.00 30.24 H new ATOM 0 HA CYS A 724 -5.303 -14.254 6.012 1.00 31.25 H new ATOM 0 HB2 CYS A 724 -7.810 -14.405 4.315 1.00 13.03 H new ATOM 0 HB3 CYS A 724 -7.358 -15.714 5.388 1.00 13.03 H new ATOM 2120 N PRO A 725 -4.232 -16.152 4.722 1.00 70.14 N ATOM 2121 CA PRO A 725 -3.596 -17.258 4.022 1.00 72.30 C ATOM 2122 C PRO A 725 -4.526 -18.456 3.950 1.00 4.51 C ATOM 2123 O PRO A 725 -5.037 -18.768 2.849 1.00 37.75 O ATOM 2124 CB PRO A 725 -2.362 -17.591 4.883 1.00 61.31 C ATOM 2125 CG PRO A 725 -2.309 -16.528 5.932 1.00 30.33 C ATOM 2126 CD PRO A 725 -3.702 -16.024 6.084 1.00 62.33 C ATOM 2127 OXT PRO A 725 -4.737 -19.112 4.995 1.00 37.75 O ATOM 0 HA PRO A 725 -3.338 -17.004 2.994 1.00 72.30 H new ATOM 0 HB2 PRO A 725 -2.452 -18.581 5.331 1.00 61.31 H new ATOM 0 HB3 PRO A 725 -1.453 -17.595 4.281 1.00 61.31 H new ATOM 0 HG2 PRO A 725 -1.935 -16.929 6.874 1.00 30.33 H new ATOM 0 HG3 PRO A 725 -1.634 -15.724 5.638 1.00 30.33 H new ATOM 0 HD2 PRO A 725 -4.273 -16.616 6.800 1.00 62.33 H new ATOM 0 HD3 PRO A 725 -3.725 -14.992 6.434 1.00 62.33 H new