USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 795 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 652 SER OG : rot 130:sc= 0.0257 USER MOD Set 1.2: A 658 SER OG : rot 59:sc= -0.0587 USER MOD Single : A 594 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -1.34! C(o=-1.3!,f=-10!) USER MOD Single : A 599 ASN : amide:sc= -0.994 K(o=-0.99,f=-6.3!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 609 CYS SG : rot -147:sc= -6.07! USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 615 THR OG1 : rot 180:sc= 0 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ 155:sc= -2.97! (180deg=-4.69!) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : A 625 THR OG1 : rot -42:sc= 0.545 USER MOD Single : A 626 SER OG : rot -44:sc= 0.0207 USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 LYS NZ :NH3+ -173:sc= 0.302 (180deg=0.273) USER MOD Single : A 629 CYS SG : rot -66:sc= -0.3 USER MOD Single : A 631 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 632 SER OG : rot -120:sc= 0.422 USER MOD Single : A 635 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 656 LYS NZ :NH3+ -164:sc= 0.678 (180deg=0.586) USER MOD Single : A 661 CYS SG : rot 4:sc= -0.483 USER MOD Single : A 664 TYR OH : rot -120:sc= 1.1 USER MOD Single : A 665 THR OG1 : rot 122:sc= 0.506 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 MET CE :methyl 166:sc= 0 (180deg=-0.227) USER MOD Single : A 672 ASN : amide:sc= -6.62! C(o=-6.6!,f=-21!) USER MOD Single : A 673 LYS NZ :NH3+ 153:sc= -0.14 (180deg=-0.43) USER MOD Single : A 680 SER OG : rot 180:sc= 0.014 USER MOD Single : A 681 THR OG1 : rot 180:sc= 0 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 594 15.183 -7.362 2.220 1.00 4.95 N ATOM 2 CA MET A 594 15.342 -8.030 3.538 1.00 4.53 C ATOM 3 C MET A 594 14.020 -8.068 4.298 1.00 3.54 C ATOM 4 O MET A 594 13.809 -8.929 5.153 1.00 3.72 O ATOM 5 CB MET A 594 16.395 -7.267 4.346 1.00 4.98 C ATOM 6 CG MET A 594 17.690 -8.039 4.539 1.00 5.57 C ATOM 7 SD MET A 594 19.039 -6.994 5.124 1.00 6.15 S ATOM 8 CE MET A 594 20.298 -7.352 3.901 1.00 6.74 C ATOM 0 HA MET A 594 15.661 -9.061 3.383 1.00 4.53 H new ATOM 0 HB2 MET A 594 16.615 -6.325 3.843 1.00 4.98 H new ATOM 0 HB3 MET A 594 15.981 -7.018 5.323 1.00 4.98 H new ATOM 0 HG2 MET A 594 17.525 -8.846 5.253 1.00 5.57 H new ATOM 0 HG3 MET A 594 17.977 -8.502 3.595 1.00 5.57 H new ATOM 0 HE1 MET A 594 21.198 -6.779 4.126 1.00 6.74 H new ATOM 0 HE2 MET A 594 20.531 -8.417 3.920 1.00 6.74 H new ATOM 0 HE3 MET A 594 19.932 -7.078 2.911 1.00 6.74 H new ATOM 20 N ASP A 595 13.135 -7.124 3.979 1.00 2.89 N ATOM 21 CA ASP A 595 11.829 -7.036 4.626 1.00 1.92 C ATOM 22 C ASP A 595 11.976 -6.839 6.132 1.00 1.31 C ATOM 23 O ASP A 595 13.088 -6.783 6.656 1.00 1.55 O ATOM 24 CB ASP A 595 11.003 -8.292 4.340 1.00 2.03 C ATOM 25 CG ASP A 595 11.043 -8.689 2.877 1.00 3.00 C ATOM 26 OD1 ASP A 595 10.366 -8.026 2.064 1.00 3.81 O ATOM 27 OD2 ASP A 595 11.752 -9.662 2.546 1.00 3.29 O ATOM 0 H ASP A 595 13.301 -6.407 3.273 1.00 2.89 H new ATOM 0 HA ASP A 595 11.310 -6.170 4.215 1.00 1.92 H new ATOM 0 HB2 ASP A 595 11.377 -9.116 4.948 1.00 2.03 H new ATOM 0 HB3 ASP A 595 9.969 -8.120 4.639 1.00 2.03 H new ATOM 32 N GLU A 596 10.845 -6.731 6.824 1.00 0.89 N ATOM 33 CA GLU A 596 10.854 -6.538 8.269 1.00 1.23 C ATOM 34 C GLU A 596 9.940 -7.543 8.962 1.00 1.42 C ATOM 35 O GLU A 596 10.340 -8.675 9.235 1.00 2.06 O ATOM 36 CB GLU A 596 10.425 -5.111 8.619 1.00 1.81 C ATOM 37 CG GLU A 596 11.566 -4.107 8.587 1.00 2.33 C ATOM 38 CD GLU A 596 11.796 -3.440 9.929 1.00 2.97 C ATOM 39 OE1 GLU A 596 11.861 -4.161 10.947 1.00 3.33 O ATOM 40 OE2 GLU A 596 11.909 -2.197 9.962 1.00 3.52 O ATOM 0 H GLU A 596 9.915 -6.774 6.408 1.00 0.89 H new ATOM 0 HA GLU A 596 11.872 -6.700 8.623 1.00 1.23 H new ATOM 0 HB2 GLU A 596 9.651 -4.792 7.921 1.00 1.81 H new ATOM 0 HB3 GLU A 596 9.978 -5.109 9.613 1.00 1.81 H new ATOM 0 HG2 GLU A 596 12.480 -4.612 8.275 1.00 2.33 H new ATOM 0 HG3 GLU A 596 11.352 -3.344 7.838 1.00 2.33 H new ATOM 47 N ASN A 597 8.714 -7.119 9.258 1.00 1.22 N ATOM 48 CA ASN A 597 7.751 -7.973 9.930 1.00 1.36 C ATOM 49 C ASN A 597 6.524 -8.218 9.058 1.00 1.09 C ATOM 50 O ASN A 597 5.729 -9.118 9.330 1.00 1.22 O ATOM 51 CB ASN A 597 7.338 -7.332 11.252 1.00 1.69 C ATOM 52 CG ASN A 597 6.816 -5.917 11.083 1.00 2.08 C ATOM 53 OD1 ASN A 597 6.798 -5.376 9.977 1.00 2.35 O ATOM 54 ND2 ASN A 597 6.389 -5.310 12.184 1.00 2.79 N ATOM 0 H ASN A 597 8.367 -6.185 9.040 1.00 1.22 H new ATOM 0 HA ASN A 597 8.220 -8.938 10.122 1.00 1.36 H new ATOM 0 HB2 ASN A 597 6.569 -7.944 11.722 1.00 1.69 H new ATOM 0 HB3 ASN A 597 8.193 -7.320 11.928 1.00 1.69 H new ATOM 0 HD21 ASN A 597 6.028 -4.357 12.134 1.00 2.79 H new ATOM 0 HD22 ASN A 597 6.422 -5.796 13.080 1.00 2.79 H new ATOM 61 N ILE A 598 6.373 -7.414 8.010 1.00 0.87 N ATOM 62 CA ILE A 598 5.238 -7.549 7.103 1.00 0.64 C ATOM 63 C ILE A 598 5.609 -8.375 5.875 1.00 0.66 C ATOM 64 O ILE A 598 6.130 -7.849 4.893 1.00 0.79 O ATOM 65 CB ILE A 598 4.709 -6.173 6.650 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.609 -5.219 7.844 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.355 -6.322 5.969 1.00 0.35 C ATOM 68 CD1 ILE A 598 3.763 -5.749 8.984 1.00 0.83 C ATOM 0 H ILE A 598 7.021 -6.664 7.768 1.00 0.87 H new ATOM 0 HA ILE A 598 4.452 -8.063 7.656 1.00 0.64 H new ATOM 0 HB ILE A 598 5.411 -5.751 5.931 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.612 -5.011 8.215 1.00 0.69 H new ATOM 0 HG13 ILE A 598 4.192 -4.271 7.505 1.00 0.69 H new ATOM 0 HG21 ILE A 598 2.996 -5.342 5.655 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.456 -6.968 5.097 1.00 0.35 H new ATOM 0 HG23 ILE A 598 2.643 -6.763 6.667 1.00 0.35 H new ATOM 0 HD11 ILE A 598 3.741 -5.017 9.791 1.00 0.83 H new ATOM 0 HD12 ILE A 598 2.748 -5.930 8.630 1.00 0.83 H new ATOM 0 HD13 ILE A 598 4.191 -6.682 9.352 1.00 0.83 H new ATOM 80 N ASN A 599 5.331 -9.672 5.943 1.00 0.73 N ATOM 81 CA ASN A 599 5.625 -10.580 4.842 1.00 0.83 C ATOM 82 C ASN A 599 4.484 -10.585 3.834 1.00 0.95 C ATOM 83 O ASN A 599 3.329 -10.827 4.187 1.00 1.52 O ATOM 84 CB ASN A 599 5.865 -11.997 5.368 1.00 0.98 C ATOM 85 CG ASN A 599 6.820 -12.782 4.489 1.00 1.45 C ATOM 86 OD1 ASN A 599 6.856 -12.597 3.273 1.00 2.10 O ATOM 87 ND2 ASN A 599 7.601 -13.664 5.102 1.00 2.19 N ATOM 0 H ASN A 599 4.901 -10.119 6.753 1.00 0.73 H new ATOM 0 HA ASN A 599 6.530 -10.231 4.344 1.00 0.83 H new ATOM 0 HB2 ASN A 599 6.266 -11.944 6.380 1.00 0.98 H new ATOM 0 HB3 ASN A 599 4.914 -12.525 5.430 1.00 0.98 H new ATOM 0 HD21 ASN A 599 8.264 -14.220 4.562 1.00 2.19 H new ATOM 0 HD22 ASN A 599 7.538 -13.785 6.113 1.00 2.19 H new ATOM 94 N PHE A 600 4.814 -10.308 2.580 1.00 0.69 N ATOM 95 CA PHE A 600 3.819 -10.269 1.517 1.00 0.82 C ATOM 96 C PHE A 600 3.630 -11.644 0.882 1.00 0.89 C ATOM 97 O PHE A 600 2.810 -11.815 -0.021 1.00 1.04 O ATOM 98 CB PHE A 600 4.229 -9.242 0.461 1.00 0.93 C ATOM 99 CG PHE A 600 5.421 -9.654 -0.356 1.00 1.05 C ATOM 100 CD1 PHE A 600 6.704 -9.520 0.151 1.00 1.38 C ATOM 101 CD2 PHE A 600 5.259 -10.177 -1.629 1.00 1.21 C ATOM 102 CE1 PHE A 600 7.802 -9.898 -0.597 1.00 1.92 C ATOM 103 CE2 PHE A 600 6.354 -10.558 -2.381 1.00 1.63 C ATOM 104 CZ PHE A 600 7.626 -10.419 -1.864 1.00 2.02 C ATOM 0 H PHE A 600 5.766 -10.106 2.273 1.00 0.69 H new ATOM 0 HA PHE A 600 2.864 -9.974 1.952 1.00 0.82 H new ATOM 0 HB2 PHE A 600 3.386 -9.065 -0.207 1.00 0.93 H new ATOM 0 HB3 PHE A 600 4.448 -8.295 0.955 1.00 0.93 H new ATOM 0 HD1 PHE A 600 6.847 -9.115 1.142 1.00 1.38 H new ATOM 0 HD2 PHE A 600 4.266 -10.288 -2.038 1.00 1.21 H new ATOM 0 HE1 PHE A 600 8.797 -9.786 -0.192 1.00 1.92 H new ATOM 0 HE2 PHE A 600 6.215 -10.964 -3.372 1.00 1.63 H new ATOM 0 HZ PHE A 600 8.483 -10.717 -2.450 1.00 2.02 H new ATOM 114 N LYS A 601 4.396 -12.621 1.359 1.00 0.87 N ATOM 115 CA LYS A 601 4.316 -13.982 0.837 1.00 1.02 C ATOM 116 C LYS A 601 3.027 -14.671 1.277 1.00 0.99 C ATOM 117 O LYS A 601 2.780 -15.825 0.922 1.00 1.13 O ATOM 118 CB LYS A 601 5.520 -14.796 1.303 1.00 1.16 C ATOM 119 CG LYS A 601 6.513 -15.087 0.194 1.00 1.16 C ATOM 120 CD LYS A 601 5.933 -16.044 -0.834 1.00 1.78 C ATOM 121 CE LYS A 601 5.816 -15.388 -2.199 1.00 2.40 C ATOM 122 NZ LYS A 601 6.731 -16.009 -3.195 1.00 3.20 N ATOM 0 H LYS A 601 5.079 -12.496 2.106 1.00 0.87 H new ATOM 0 HA LYS A 601 4.317 -13.922 -0.251 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.027 -14.256 2.103 1.00 1.16 H new ATOM 0 HB3 LYS A 601 5.171 -15.738 1.725 1.00 1.16 H new ATOM 0 HG2 LYS A 601 6.798 -14.155 -0.295 1.00 1.16 H new ATOM 0 HG3 LYS A 601 7.421 -15.515 0.620 1.00 1.16 H new ATOM 0 HD2 LYS A 601 6.565 -16.929 -0.907 1.00 1.78 H new ATOM 0 HD3 LYS A 601 4.950 -16.381 -0.505 1.00 1.78 H new ATOM 0 HE2 LYS A 601 4.788 -15.467 -2.552 1.00 2.40 H new ATOM 0 HE3 LYS A 601 6.042 -14.325 -2.111 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 6.620 -15.532 -4.113 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 7.714 -15.912 -2.871 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 6.499 -17.017 -3.298 1.00 3.20 H new ATOM 136 N GLN A 602 2.212 -13.965 2.052 1.00 0.85 N ATOM 137 CA GLN A 602 0.954 -14.519 2.541 1.00 0.89 C ATOM 138 C GLN A 602 -0.187 -14.241 1.567 1.00 0.98 C ATOM 139 O GLN A 602 -1.343 -14.557 1.850 1.00 1.98 O ATOM 140 CB GLN A 602 0.616 -13.939 3.917 1.00 0.87 C ATOM 141 CG GLN A 602 1.836 -13.650 4.776 1.00 0.78 C ATOM 142 CD GLN A 602 2.253 -14.842 5.614 1.00 0.99 C ATOM 143 OE1 GLN A 602 1.678 -15.105 6.670 1.00 1.25 O ATOM 144 NE2 GLN A 602 3.263 -15.568 5.148 1.00 1.15 N ATOM 0 H GLN A 602 2.399 -13.009 2.355 1.00 0.85 H new ATOM 0 HA GLN A 602 1.076 -15.599 2.627 1.00 0.89 H new ATOM 0 HB2 GLN A 602 0.050 -13.017 3.784 1.00 0.87 H new ATOM 0 HB3 GLN A 602 -0.033 -14.637 4.446 1.00 0.87 H new ATOM 0 HG2 GLN A 602 2.666 -13.353 4.134 1.00 0.78 H new ATOM 0 HG3 GLN A 602 1.623 -12.806 5.432 1.00 0.78 H new ATOM 0 HE21 GLN A 602 3.711 -15.313 4.268 1.00 1.15 H new ATOM 0 HE22 GLN A 602 3.591 -16.380 5.671 1.00 1.15 H new ATOM 153 N SER A 603 0.148 -13.646 0.422 1.00 0.46 N ATOM 154 CA SER A 603 -0.840 -13.316 -0.607 1.00 0.46 C ATOM 155 C SER A 603 -1.769 -12.188 -0.158 1.00 0.42 C ATOM 156 O SER A 603 -2.451 -11.575 -0.979 1.00 0.55 O ATOM 157 CB SER A 603 -1.666 -14.551 -0.982 1.00 0.52 C ATOM 158 OG SER A 603 -0.926 -15.428 -1.814 1.00 1.06 O ATOM 0 H SER A 603 1.103 -13.381 0.182 1.00 0.46 H new ATOM 0 HA SER A 603 -0.290 -12.974 -1.483 1.00 0.46 H new ATOM 0 HB2 SER A 603 -1.972 -15.076 -0.077 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.577 -14.241 -1.494 1.00 0.52 H new ATOM 0 HG SER A 603 -1.475 -16.208 -2.037 1.00 1.06 H new ATOM 164 N GLU A 604 -1.793 -11.916 1.144 1.00 0.31 N ATOM 165 CA GLU A 604 -2.639 -10.861 1.689 1.00 0.30 C ATOM 166 C GLU A 604 -1.846 -9.957 2.626 1.00 0.27 C ATOM 167 O GLU A 604 -1.333 -10.408 3.652 1.00 0.38 O ATOM 168 CB GLU A 604 -3.832 -11.468 2.430 1.00 0.35 C ATOM 169 CG GLU A 604 -4.909 -12.010 1.506 1.00 0.51 C ATOM 170 CD GLU A 604 -6.237 -12.219 2.210 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.342 -11.861 3.402 1.00 1.48 O ATOM 172 OE2 GLU A 604 -7.172 -12.743 1.569 1.00 1.26 O ATOM 0 H GLU A 604 -1.236 -12.412 1.840 1.00 0.31 H new ATOM 0 HA GLU A 604 -3.006 -10.257 0.859 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.478 -12.273 3.074 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.270 -10.710 3.079 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.049 -11.320 0.674 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.575 -12.957 1.082 1.00 0.51 H new ATOM 179 N LEU A 605 -1.745 -8.682 2.265 1.00 0.20 N ATOM 180 CA LEU A 605 -1.011 -7.714 3.073 1.00 0.22 C ATOM 181 C LEU A 605 -1.967 -6.752 3.776 1.00 0.19 C ATOM 182 O LEU A 605 -2.808 -6.126 3.136 1.00 0.24 O ATOM 183 CB LEU A 605 -0.032 -6.929 2.196 1.00 0.27 C ATOM 184 CG LEU A 605 1.337 -6.658 2.825 1.00 0.38 C ATOM 185 CD1 LEU A 605 1.991 -7.960 3.261 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.234 -5.915 1.846 1.00 1.04 C ATOM 0 H LEU A 605 -2.162 -8.295 1.418 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.453 -8.260 3.833 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.116 -7.477 1.265 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.489 -5.974 1.935 1.00 0.27 H new ATOM 0 HG LEU A 605 1.193 -6.033 3.706 1.00 0.38 H new ATOM 0 HD11 LEU A 605 2.963 -7.748 3.706 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.357 -8.458 3.995 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.122 -8.609 2.395 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.203 -5.730 2.309 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.370 -6.517 0.948 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.772 -4.964 1.579 1.00 1.04 H new ATOM 198 N PRO A 606 -1.851 -6.620 5.111 1.00 0.21 N ATOM 199 CA PRO A 606 -2.713 -5.726 5.890 1.00 0.21 C ATOM 200 C PRO A 606 -2.424 -4.253 5.615 1.00 0.20 C ATOM 201 O PRO A 606 -1.287 -3.798 5.750 1.00 0.34 O ATOM 202 CB PRO A 606 -2.371 -6.077 7.340 1.00 0.28 C ATOM 203 CG PRO A 606 -0.982 -6.611 7.279 1.00 0.44 C ATOM 204 CD PRO A 606 -0.875 -7.328 5.963 1.00 0.33 C ATOM 0 HA PRO A 606 -3.766 -5.859 5.642 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.431 -5.200 7.985 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -3.063 -6.817 7.743 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.250 -5.806 7.346 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.787 -7.289 8.110 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.134 -7.269 5.554 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -1.119 -8.386 6.060 1.00 0.33 H new ATOM 212 N VAL A 607 -3.462 -3.511 5.239 1.00 0.14 N ATOM 213 CA VAL A 607 -3.324 -2.087 4.954 1.00 0.13 C ATOM 214 C VAL A 607 -4.194 -1.268 5.896 1.00 0.10 C ATOM 215 O VAL A 607 -5.182 -1.766 6.432 1.00 0.11 O ATOM 216 CB VAL A 607 -3.702 -1.750 3.498 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.490 -1.875 2.589 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.836 -2.639 3.012 1.00 0.31 C ATOM 0 H VAL A 607 -4.409 -3.873 5.125 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.274 -1.835 5.104 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.048 -0.717 3.467 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.776 -1.633 1.565 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.714 -1.186 2.921 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -2.110 -2.896 2.628 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -5.084 -2.382 1.982 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -4.526 -3.683 3.061 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.711 -2.490 3.644 1.00 0.31 H new ATOM 228 N THR A 608 -3.817 -0.011 6.103 1.00 0.11 N ATOM 229 CA THR A 608 -4.566 0.867 6.992 1.00 0.12 C ATOM 230 C THR A 608 -4.537 2.311 6.509 1.00 0.11 C ATOM 231 O THR A 608 -3.542 3.011 6.687 1.00 0.16 O ATOM 232 CB THR A 608 -4.008 0.826 8.422 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.591 0.614 8.392 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.672 -0.272 9.238 1.00 0.34 C ATOM 0 H THR A 608 -3.001 0.421 5.669 1.00 0.11 H new ATOM 0 HA THR A 608 -5.593 0.502 6.988 1.00 0.12 H new ATOM 0 HB THR A 608 -4.223 1.785 8.894 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.244 0.591 9.308 1.00 0.30 H new ATOM 0 HG21 THR A 608 -4.257 -0.278 10.246 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.745 -0.089 9.288 1.00 0.34 H new ATOM 0 HG23 THR A 608 -4.490 -1.237 8.765 1.00 0.34 H new ATOM 242 N CYS A 609 -5.633 2.757 5.912 1.00 0.15 N ATOM 243 CA CYS A 609 -5.721 4.129 5.423 1.00 0.17 C ATOM 244 C CYS A 609 -6.583 4.973 6.354 1.00 0.17 C ATOM 245 O CYS A 609 -7.807 4.922 6.294 1.00 0.18 O ATOM 246 CB CYS A 609 -6.305 4.148 4.014 1.00 0.20 C ATOM 247 SG CYS A 609 -6.629 5.807 3.371 1.00 0.67 S ATOM 0 H CYS A 609 -6.469 2.195 5.754 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.717 4.552 5.398 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.617 3.637 3.340 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.236 3.580 4.010 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.671 5.775 2.594 1.00 0.67 H new ATOM 253 N GLY A 610 -5.935 5.750 7.213 1.00 0.21 N ATOM 254 CA GLY A 610 -6.663 6.588 8.147 1.00 0.23 C ATOM 255 C GLY A 610 -7.627 5.784 8.998 1.00 0.22 C ATOM 256 O GLY A 610 -8.825 6.069 9.025 1.00 0.23 O ATOM 0 H GLY A 610 -4.919 5.815 7.280 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -5.957 7.109 8.793 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.214 7.351 7.597 1.00 0.23 H new ATOM 260 N GLU A 611 -7.096 4.766 9.679 1.00 0.25 N ATOM 261 CA GLU A 611 -7.899 3.889 10.535 1.00 0.31 C ATOM 262 C GLU A 611 -8.787 2.979 9.693 1.00 0.28 C ATOM 263 O GLU A 611 -9.458 2.086 10.211 1.00 0.35 O ATOM 264 CB GLU A 611 -8.745 4.717 11.509 1.00 0.37 C ATOM 265 CG GLU A 611 -9.742 3.902 12.316 1.00 1.46 C ATOM 266 CD GLU A 611 -9.773 4.300 13.779 1.00 2.00 C ATOM 267 OE1 GLU A 611 -9.827 5.514 14.063 1.00 2.54 O ATOM 268 OE2 GLU A 611 -9.741 3.396 14.640 1.00 2.48 O ATOM 0 H GLU A 611 -6.105 4.527 9.654 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.221 3.262 11.114 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -8.080 5.240 12.196 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.286 5.478 10.947 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -10.737 4.026 11.889 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -9.490 2.845 12.236 1.00 1.46 H new ATOM 275 N VAL A 612 -8.774 3.199 8.385 1.00 0.20 N ATOM 276 CA VAL A 612 -9.570 2.392 7.474 1.00 0.22 C ATOM 277 C VAL A 612 -8.776 1.184 6.993 1.00 0.21 C ATOM 278 O VAL A 612 -8.275 1.155 5.869 1.00 0.30 O ATOM 279 CB VAL A 612 -10.053 3.214 6.264 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.867 2.348 5.316 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.864 4.414 6.730 1.00 0.25 C ATOM 0 H VAL A 612 -8.222 3.928 7.933 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.446 2.049 8.025 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.180 3.578 5.722 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.198 2.948 4.469 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.251 1.523 4.958 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.736 1.951 5.841 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.199 4.985 5.864 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.731 4.070 7.295 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.245 5.047 7.365 1.00 0.25 H new ATOM 291 N LYS A 613 -8.663 0.190 7.864 1.00 0.15 N ATOM 292 CA LYS A 613 -7.930 -1.031 7.553 1.00 0.14 C ATOM 293 C LYS A 613 -8.495 -1.713 6.307 1.00 0.15 C ATOM 294 O LYS A 613 -9.588 -1.382 5.848 1.00 0.25 O ATOM 295 CB LYS A 613 -7.981 -1.992 8.741 1.00 0.16 C ATOM 296 CG LYS A 613 -6.776 -2.912 8.831 1.00 0.35 C ATOM 297 CD LYS A 613 -6.905 -3.885 9.990 1.00 0.69 C ATOM 298 CE LYS A 613 -6.068 -3.444 11.181 1.00 1.45 C ATOM 299 NZ LYS A 613 -4.977 -4.410 11.483 1.00 1.76 N ATOM 0 H LYS A 613 -9.073 0.206 8.798 1.00 0.15 H new ATOM 0 HA LYS A 613 -6.894 -0.760 7.352 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.056 -1.414 9.662 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.885 -2.597 8.670 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.670 -3.467 7.899 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -5.871 -2.317 8.953 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.951 -3.963 10.287 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -6.590 -4.878 9.670 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -5.638 -2.463 10.979 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -6.710 -3.337 12.055 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -4.431 -4.072 12.301 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -5.388 -5.340 11.701 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -4.349 -4.494 10.658 1.00 1.76 H new ATOM 313 N GLY A 614 -7.739 -2.666 5.766 1.00 0.13 N ATOM 314 CA GLY A 614 -8.174 -3.379 4.581 1.00 0.14 C ATOM 315 C GLY A 614 -7.267 -4.548 4.243 1.00 0.15 C ATOM 316 O GLY A 614 -6.203 -4.708 4.838 1.00 0.24 O ATOM 0 H GLY A 614 -6.831 -2.956 6.130 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.190 -3.743 4.732 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.204 -2.690 3.737 1.00 0.14 H new ATOM 320 N THR A 615 -7.694 -5.360 3.284 1.00 0.15 N ATOM 321 CA THR A 615 -6.919 -6.522 2.857 1.00 0.16 C ATOM 322 C THR A 615 -6.365 -6.323 1.449 1.00 0.14 C ATOM 323 O THR A 615 -7.121 -6.187 0.489 1.00 0.17 O ATOM 324 CB THR A 615 -7.766 -7.807 2.884 1.00 0.20 C ATOM 325 OG1 THR A 615 -9.112 -7.500 3.268 1.00 0.44 O ATOM 326 CG2 THR A 615 -7.178 -8.822 3.853 1.00 0.42 C ATOM 0 H THR A 615 -8.575 -5.236 2.785 1.00 0.15 H new ATOM 0 HA THR A 615 -6.094 -6.627 3.561 1.00 0.16 H new ATOM 0 HB THR A 615 -7.763 -8.238 1.883 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.644 -8.323 3.281 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.793 -9.722 3.855 1.00 0.42 H new ATOM 0 HG22 THR A 615 -6.164 -9.076 3.543 1.00 0.42 H new ATOM 0 HG23 THR A 615 -7.154 -8.396 4.856 1.00 0.42 H new ATOM 334 N LEU A 616 -5.041 -6.297 1.338 1.00 0.14 N ATOM 335 CA LEU A 616 -4.381 -6.103 0.050 1.00 0.16 C ATOM 336 C LEU A 616 -4.093 -7.436 -0.639 1.00 0.15 C ATOM 337 O LEU A 616 -3.543 -8.355 -0.034 1.00 0.18 O ATOM 338 CB LEU A 616 -3.080 -5.323 0.238 1.00 0.21 C ATOM 339 CG LEU A 616 -2.325 -5.003 -1.050 1.00 0.22 C ATOM 340 CD1 LEU A 616 -1.953 -3.529 -1.097 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.085 -5.873 -1.165 1.00 0.40 C ATOM 0 H LEU A 616 -4.402 -6.408 2.125 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.057 -5.533 -0.588 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.306 -4.388 0.750 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.423 -5.895 0.893 1.00 0.21 H new ATOM 0 HG LEU A 616 -2.976 -5.218 -1.897 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.416 -3.319 -2.022 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -2.859 -2.924 -1.058 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.318 -3.287 -0.245 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.557 -5.634 -2.088 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.430 -5.687 -0.314 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.377 -6.923 -1.176 1.00 0.40 H new ATOM 353 N TYR A 617 -4.472 -7.528 -1.912 1.00 0.14 N ATOM 354 CA TYR A 617 -4.259 -8.739 -2.697 1.00 0.16 C ATOM 355 C TYR A 617 -2.991 -8.627 -3.541 1.00 0.21 C ATOM 356 O TYR A 617 -2.815 -7.660 -4.282 1.00 0.22 O ATOM 357 CB TYR A 617 -5.466 -8.998 -3.604 1.00 0.16 C ATOM 358 CG TYR A 617 -6.626 -9.666 -2.899 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.240 -9.066 -1.806 1.00 0.29 C ATOM 360 CD2 TYR A 617 -7.109 -10.898 -3.328 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.301 -9.674 -1.160 1.00 0.34 C ATOM 362 CE2 TYR A 617 -8.170 -11.510 -2.688 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.762 -10.894 -1.605 1.00 0.34 C ATOM 364 OH TYR A 617 -9.817 -11.501 -0.966 1.00 0.43 O ATOM 0 H TYR A 617 -4.930 -6.773 -2.423 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.141 -9.574 -2.007 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.804 -8.050 -4.023 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.153 -9.622 -4.441 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -6.883 -8.109 -1.455 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.647 -11.384 -4.175 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -8.766 -9.195 -0.311 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.534 -12.466 -3.034 1.00 0.37 H new ATOM 0 HH TYR A 617 -10.018 -12.354 -1.405 1.00 0.43 H new ATOM 374 N LYS A 618 -2.112 -9.618 -3.423 1.00 0.27 N ATOM 375 CA LYS A 618 -0.860 -9.624 -4.176 1.00 0.34 C ATOM 376 C LYS A 618 -1.112 -9.794 -5.672 1.00 0.33 C ATOM 377 O LYS A 618 -0.368 -9.265 -6.498 1.00 0.37 O ATOM 378 CB LYS A 618 0.059 -10.742 -3.678 1.00 0.44 C ATOM 379 CG LYS A 618 0.472 -10.591 -2.224 1.00 0.80 C ATOM 380 CD LYS A 618 1.396 -9.401 -2.024 1.00 1.13 C ATOM 381 CE LYS A 618 1.049 -8.633 -0.759 1.00 1.56 C ATOM 382 NZ LYS A 618 0.656 -9.541 0.355 1.00 2.48 N ATOM 0 H LYS A 618 -2.242 -10.426 -2.815 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.375 -8.661 -4.016 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.446 -11.699 -3.805 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.954 -10.769 -4.300 1.00 0.44 H new ATOM 0 HG2 LYS A 618 -0.416 -10.471 -1.604 1.00 0.80 H new ATOM 0 HG3 LYS A 618 0.972 -11.500 -1.891 1.00 0.80 H new ATOM 0 HD2 LYS A 618 2.429 -9.746 -1.970 1.00 1.13 H new ATOM 0 HD3 LYS A 618 1.327 -8.736 -2.885 1.00 1.13 H new ATOM 0 HE2 LYS A 618 1.906 -8.033 -0.453 1.00 1.56 H new ATOM 0 HE3 LYS A 618 0.233 -7.941 -0.967 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 0.836 -9.071 1.265 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 -0.356 -9.769 0.277 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 1.213 -10.417 0.302 1.00 2.48 H new ATOM 396 N GLU A 619 -2.159 -10.540 -6.014 1.00 0.31 N ATOM 397 CA GLU A 619 -2.504 -10.786 -7.412 1.00 0.34 C ATOM 398 C GLU A 619 -2.671 -9.478 -8.183 1.00 0.30 C ATOM 399 O GLU A 619 -2.587 -9.455 -9.411 1.00 0.34 O ATOM 400 CB GLU A 619 -3.791 -11.610 -7.503 1.00 0.35 C ATOM 401 CG GLU A 619 -5.020 -10.879 -6.981 1.00 1.04 C ATOM 402 CD GLU A 619 -6.212 -11.798 -6.796 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.108 -12.753 -5.998 1.00 2.07 O ATOM 404 OE2 GLU A 619 -7.250 -11.562 -7.450 1.00 1.68 O ATOM 0 H GLU A 619 -2.784 -10.985 -5.342 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.684 -11.345 -7.863 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -3.960 -11.891 -8.542 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.662 -12.534 -6.940 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -4.779 -10.406 -6.029 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.285 -10.081 -7.675 1.00 1.04 H new ATOM 411 N ARG A 620 -2.908 -8.393 -7.454 1.00 0.25 N ATOM 412 CA ARG A 620 -3.087 -7.080 -8.064 1.00 0.25 C ATOM 413 C ARG A 620 -2.035 -6.097 -7.557 1.00 0.27 C ATOM 414 O ARG A 620 -1.748 -5.094 -8.206 1.00 0.29 O ATOM 415 CB ARG A 620 -4.491 -6.546 -7.776 1.00 0.25 C ATOM 416 CG ARG A 620 -5.551 -7.087 -8.722 1.00 0.38 C ATOM 417 CD ARG A 620 -6.951 -6.888 -8.164 1.00 0.55 C ATOM 418 NE ARG A 620 -7.864 -6.334 -9.161 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.513 -7.072 -10.057 1.00 0.95 C ATOM 420 NH1 ARG A 620 -8.341 -8.386 -10.091 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.333 -6.493 -10.924 1.00 1.17 N ATOM 0 H ARG A 620 -2.981 -8.397 -6.437 1.00 0.25 H new ATOM 0 HA ARG A 620 -2.965 -7.187 -9.142 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.765 -6.800 -6.752 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.478 -5.458 -7.841 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.468 -6.587 -9.687 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.376 -8.148 -8.897 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.339 -7.843 -7.808 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -6.907 -6.221 -7.303 1.00 0.55 H new ATOM 0 HE ARG A 620 -8.012 -5.325 -9.170 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -7.709 -8.835 -9.428 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -8.841 -8.948 -10.780 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -9.466 -5.482 -10.903 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -9.831 -7.059 -11.611 1.00 1.17 H new ATOM 435 N PHE A 621 -1.471 -6.396 -6.388 1.00 0.31 N ATOM 436 CA PHE A 621 -0.450 -5.546 -5.776 1.00 0.38 C ATOM 437 C PHE A 621 0.699 -5.270 -6.744 1.00 0.33 C ATOM 438 O PHE A 621 1.410 -4.274 -6.609 1.00 0.34 O ATOM 439 CB PHE A 621 0.086 -6.212 -4.506 1.00 0.53 C ATOM 440 CG PHE A 621 1.163 -5.426 -3.809 1.00 0.75 C ATOM 441 CD1 PHE A 621 0.904 -4.162 -3.304 1.00 0.87 C ATOM 442 CD2 PHE A 621 2.432 -5.960 -3.653 1.00 0.96 C ATOM 443 CE1 PHE A 621 1.892 -3.444 -2.657 1.00 1.13 C ATOM 444 CE2 PHE A 621 3.424 -5.246 -3.008 1.00 1.21 C ATOM 445 CZ PHE A 621 3.153 -3.988 -2.509 1.00 1.27 C ATOM 0 H PHE A 621 -1.705 -7.225 -5.843 1.00 0.31 H new ATOM 0 HA PHE A 621 -0.912 -4.592 -5.522 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -0.741 -6.368 -3.813 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.477 -7.197 -4.762 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -0.081 -3.733 -3.417 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.648 -6.945 -4.040 1.00 0.96 H new ATOM 0 HE1 PHE A 621 1.678 -2.459 -2.268 1.00 1.13 H new ATOM 0 HE2 PHE A 621 4.410 -5.672 -2.895 1.00 1.21 H new ATOM 0 HZ PHE A 621 3.926 -3.429 -2.003 1.00 1.27 H new ATOM 455 N LYS A 622 0.877 -6.160 -7.715 1.00 0.33 N ATOM 456 CA LYS A 622 1.941 -6.018 -8.704 1.00 0.39 C ATOM 457 C LYS A 622 1.794 -4.717 -9.493 1.00 0.38 C ATOM 458 O LYS A 622 2.722 -4.288 -10.178 1.00 0.48 O ATOM 459 CB LYS A 622 1.934 -7.210 -9.661 1.00 0.48 C ATOM 460 CG LYS A 622 0.552 -7.551 -10.195 1.00 1.26 C ATOM 461 CD LYS A 622 0.610 -8.671 -11.220 1.00 2.09 C ATOM 462 CE LYS A 622 0.283 -10.017 -10.593 1.00 2.24 C ATOM 463 NZ LYS A 622 -0.249 -10.982 -11.595 1.00 2.99 N ATOM 0 H LYS A 622 0.297 -6.990 -7.839 1.00 0.33 H new ATOM 0 HA LYS A 622 2.892 -5.988 -8.172 1.00 0.39 H new ATOM 0 HB2 LYS A 622 2.596 -6.996 -10.500 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.341 -8.081 -9.147 1.00 0.48 H new ATOM 0 HG2 LYS A 622 -0.095 -7.846 -9.369 1.00 1.26 H new ATOM 0 HG3 LYS A 622 0.107 -6.665 -10.648 1.00 1.26 H new ATOM 0 HD2 LYS A 622 -0.093 -8.464 -12.027 1.00 2.09 H new ATOM 0 HD3 LYS A 622 1.604 -8.708 -11.665 1.00 2.09 H new ATOM 0 HE2 LYS A 622 1.180 -10.430 -10.132 1.00 2.24 H new ATOM 0 HE3 LYS A 622 -0.449 -9.879 -9.798 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 -0.459 -11.887 -11.128 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 -1.119 -10.600 -12.017 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 0.460 -11.134 -12.341 1.00 2.99 H new ATOM 477 N GLN A 623 0.622 -4.098 -9.393 1.00 0.35 N ATOM 478 CA GLN A 623 0.352 -2.849 -10.098 1.00 0.46 C ATOM 479 C GLN A 623 0.114 -1.707 -9.114 1.00 0.49 C ATOM 480 O GLN A 623 0.157 -0.534 -9.489 1.00 0.63 O ATOM 481 CB GLN A 623 -0.863 -3.008 -11.014 1.00 0.55 C ATOM 482 CG GLN A 623 -1.140 -4.447 -11.419 1.00 0.68 C ATOM 483 CD GLN A 623 -0.876 -4.703 -12.890 1.00 0.92 C ATOM 484 OE1 GLN A 623 -0.109 -3.984 -13.530 1.00 1.48 O ATOM 485 NE2 GLN A 623 -1.513 -5.734 -13.433 1.00 1.27 N ATOM 0 H GLN A 623 -0.157 -4.441 -8.830 1.00 0.35 H new ATOM 0 HA GLN A 623 1.226 -2.607 -10.703 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -1.742 -2.606 -10.510 1.00 0.55 H new ATOM 0 HB3 GLN A 623 -0.710 -2.410 -11.913 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -0.519 -5.114 -10.821 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -2.178 -4.690 -11.193 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -2.140 -6.303 -12.864 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -1.375 -5.957 -14.419 1.00 1.27 H new ATOM 494 N GLY A 624 -0.134 -2.058 -7.856 1.00 0.42 N ATOM 495 CA GLY A 624 -0.370 -1.053 -6.834 1.00 0.47 C ATOM 496 C GLY A 624 -1.564 -0.168 -7.140 1.00 0.66 C ATOM 497 O GLY A 624 -2.698 -0.643 -7.208 1.00 1.40 O ATOM 0 H GLY A 624 -0.176 -3.022 -7.525 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.527 -1.547 -5.875 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.519 -0.431 -6.731 1.00 0.47 H new ATOM 501 N THR A 625 -1.306 1.126 -7.312 1.00 0.31 N ATOM 502 CA THR A 625 -2.361 2.095 -7.598 1.00 0.32 C ATOM 503 C THR A 625 -2.983 1.885 -8.979 1.00 0.34 C ATOM 504 O THR A 625 -3.790 2.697 -9.430 1.00 0.61 O ATOM 505 CB THR A 625 -1.834 3.541 -7.499 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.931 4.463 -7.484 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.910 3.868 -8.664 1.00 0.76 C ATOM 0 H THR A 625 -0.371 1.529 -7.258 1.00 0.31 H new ATOM 0 HA THR A 625 -3.132 1.934 -6.844 1.00 0.32 H new ATOM 0 HB THR A 625 -1.268 3.631 -6.572 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.602 4.183 -8.141 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.553 4.894 -8.569 1.00 0.76 H new ATOM 0 HG22 THR A 625 -0.060 3.186 -8.657 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.454 3.759 -9.602 1.00 0.76 H new ATOM 515 N SER A 626 -2.611 0.798 -9.648 1.00 0.37 N ATOM 516 CA SER A 626 -3.149 0.505 -10.973 1.00 0.37 C ATOM 517 C SER A 626 -4.132 -0.661 -10.926 1.00 0.31 C ATOM 518 O SER A 626 -4.674 -1.066 -11.954 1.00 0.31 O ATOM 519 CB SER A 626 -2.016 0.193 -11.951 1.00 0.43 C ATOM 520 OG SER A 626 -2.411 0.450 -13.288 1.00 0.92 O ATOM 0 H SER A 626 -1.944 0.110 -9.298 1.00 0.37 H new ATOM 0 HA SER A 626 -3.685 1.389 -11.317 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.142 0.796 -11.704 1.00 0.43 H new ATOM 0 HB3 SER A 626 -1.721 -0.852 -11.850 1.00 0.43 H new ATOM 0 HG SER A 626 -3.310 0.091 -13.438 1.00 0.92 H new ATOM 526 N LYS A 627 -4.362 -1.195 -9.727 1.00 0.30 N ATOM 527 CA LYS A 627 -5.285 -2.313 -9.548 1.00 0.31 C ATOM 528 C LYS A 627 -5.810 -2.363 -8.115 1.00 0.32 C ATOM 529 O LYS A 627 -5.037 -2.460 -7.163 1.00 0.47 O ATOM 530 CB LYS A 627 -4.594 -3.636 -9.894 1.00 0.36 C ATOM 531 CG LYS A 627 -4.622 -3.971 -11.378 1.00 0.41 C ATOM 532 CD LYS A 627 -5.815 -4.843 -11.734 1.00 0.86 C ATOM 533 CE LYS A 627 -6.229 -4.653 -13.186 1.00 1.24 C ATOM 534 NZ LYS A 627 -5.402 -5.475 -14.112 1.00 1.87 N ATOM 0 H LYS A 627 -3.922 -0.871 -8.866 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.129 -2.164 -10.222 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -3.557 -3.592 -9.560 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.074 -4.442 -9.339 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.659 -3.049 -11.959 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -3.701 -4.485 -11.653 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -5.567 -5.890 -11.559 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -6.653 -4.600 -11.081 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -7.279 -4.921 -13.302 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -6.137 -3.601 -13.455 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -5.716 -5.317 -15.091 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -4.403 -5.202 -14.020 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -5.509 -6.481 -13.872 1.00 1.87 H new ATOM 548 N LYS A 628 -7.131 -2.297 -7.973 1.00 0.28 N ATOM 549 CA LYS A 628 -7.768 -2.335 -6.660 1.00 0.29 C ATOM 550 C LYS A 628 -7.619 -3.711 -6.017 1.00 0.28 C ATOM 551 O LYS A 628 -8.252 -4.676 -6.446 1.00 0.45 O ATOM 552 CB LYS A 628 -9.250 -1.975 -6.782 1.00 0.32 C ATOM 553 CG LYS A 628 -9.514 -0.787 -7.694 1.00 1.00 C ATOM 554 CD LYS A 628 -10.715 0.018 -7.226 1.00 1.24 C ATOM 555 CE LYS A 628 -11.870 -0.085 -8.209 1.00 1.55 C ATOM 556 NZ LYS A 628 -13.135 0.456 -7.639 1.00 2.32 N ATOM 0 H LYS A 628 -7.783 -2.217 -8.754 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.271 -1.603 -6.023 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -9.796 -2.840 -7.159 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.645 -1.756 -5.790 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -8.633 -0.146 -7.722 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -9.685 -1.139 -8.711 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -11.035 -0.339 -6.247 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -10.430 1.063 -7.106 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -11.621 0.459 -9.120 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -12.015 -1.128 -8.490 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -13.921 0.261 -8.291 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -13.325 0.003 -6.722 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -13.044 1.483 -7.505 1.00 2.32 H new ATOM 570 N CYS A 629 -6.778 -3.797 -4.990 1.00 0.18 N ATOM 571 CA CYS A 629 -6.549 -5.061 -4.297 1.00 0.17 C ATOM 572 C CYS A 629 -6.866 -4.946 -2.808 1.00 0.16 C ATOM 573 O CYS A 629 -6.670 -5.897 -2.052 1.00 0.17 O ATOM 574 CB CYS A 629 -5.101 -5.512 -4.485 1.00 0.20 C ATOM 575 SG CYS A 629 -3.884 -4.186 -4.315 1.00 0.33 S ATOM 0 H CYS A 629 -6.246 -3.009 -4.620 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.219 -5.803 -4.731 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.877 -6.291 -3.756 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -4.997 -5.961 -5.473 1.00 0.20 H new ATOM 0 HG CYS A 629 -4.031 -3.335 -5.287 1.00 0.33 H new ATOM 581 N ILE A 630 -7.356 -3.784 -2.389 1.00 0.16 N ATOM 582 CA ILE A 630 -7.694 -3.563 -0.987 1.00 0.18 C ATOM 583 C ILE A 630 -9.194 -3.720 -0.751 1.00 0.18 C ATOM 584 O ILE A 630 -9.992 -2.899 -1.201 1.00 0.21 O ATOM 585 CB ILE A 630 -7.247 -2.166 -0.512 1.00 0.21 C ATOM 586 CG1 ILE A 630 -5.723 -2.046 -0.574 1.00 0.22 C ATOM 587 CG2 ILE A 630 -7.743 -1.901 0.902 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.242 -0.748 -1.186 1.00 0.31 C ATOM 0 H ILE A 630 -7.528 -2.983 -2.997 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.160 -4.318 -0.410 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.682 -1.419 -1.176 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.319 -2.134 0.434 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.324 -2.880 -1.152 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.419 -0.911 1.222 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -8.832 -1.950 0.921 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.334 -2.652 1.578 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.152 -0.733 -1.197 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.616 -0.666 -2.206 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -5.611 0.091 -0.596 1.00 0.31 H new ATOM 600 N GLN A 631 -9.568 -4.779 -0.042 1.00 0.23 N ATOM 601 CA GLN A 631 -10.972 -5.047 0.253 1.00 0.27 C ATOM 602 C GLN A 631 -11.378 -4.440 1.591 1.00 0.29 C ATOM 603 O GLN A 631 -10.813 -4.773 2.633 1.00 0.34 O ATOM 604 CB GLN A 631 -11.228 -6.555 0.271 1.00 0.35 C ATOM 605 CG GLN A 631 -12.700 -6.920 0.366 1.00 0.41 C ATOM 606 CD GLN A 631 -12.929 -8.419 0.430 1.00 0.60 C ATOM 607 OE1 GLN A 631 -12.127 -9.157 1.003 1.00 1.15 O ATOM 608 NE2 GLN A 631 -14.029 -8.876 -0.158 1.00 0.77 N ATOM 0 H GLN A 631 -8.919 -5.467 0.340 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.574 -4.587 -0.530 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.810 -6.997 -0.633 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.698 -6.995 1.115 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -13.129 -6.453 1.252 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.228 -6.513 -0.496 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -14.666 -8.228 -0.622 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -14.236 -9.875 -0.146 1.00 0.77 H new ATOM 617 N SER A 632 -12.370 -3.553 1.557 1.00 0.28 N ATOM 618 CA SER A 632 -12.862 -2.906 2.767 1.00 0.32 C ATOM 619 C SER A 632 -14.025 -3.692 3.360 1.00 0.56 C ATOM 620 O SER A 632 -14.542 -4.620 2.734 1.00 0.83 O ATOM 621 CB SER A 632 -13.302 -1.472 2.467 1.00 0.70 C ATOM 622 OG SER A 632 -14.124 -1.421 1.314 1.00 1.80 O ATOM 0 H SER A 632 -12.848 -3.267 0.703 1.00 0.28 H new ATOM 0 HA SER A 632 -12.049 -2.881 3.493 1.00 0.32 H new ATOM 0 HB2 SER A 632 -13.844 -1.068 3.322 1.00 0.70 H new ATOM 0 HB3 SER A 632 -12.425 -0.842 2.320 1.00 0.70 H new ATOM 0 HG SER A 632 -13.702 -0.853 0.636 1.00 1.80 H new ATOM 628 N GLU A 633 -14.431 -3.313 4.569 1.00 0.64 N ATOM 629 CA GLU A 633 -15.533 -3.979 5.257 1.00 1.06 C ATOM 630 C GLU A 633 -16.814 -3.937 4.432 1.00 0.49 C ATOM 631 O GLU A 633 -17.764 -4.669 4.710 1.00 0.75 O ATOM 632 CB GLU A 633 -15.773 -3.326 6.617 1.00 1.98 C ATOM 633 CG GLU A 633 -15.366 -4.200 7.793 1.00 3.00 C ATOM 634 CD GLU A 633 -13.985 -3.862 8.320 1.00 3.80 C ATOM 635 OE1 GLU A 633 -13.885 -2.990 9.209 1.00 4.19 O ATOM 636 OE2 GLU A 633 -13.003 -4.471 7.845 1.00 4.41 O ATOM 0 H GLU A 633 -14.012 -2.545 5.094 1.00 0.64 H new ATOM 0 HA GLU A 633 -15.255 -5.024 5.397 1.00 1.06 H new ATOM 0 HB2 GLU A 633 -15.219 -2.388 6.663 1.00 1.98 H new ATOM 0 HB3 GLU A 633 -16.830 -3.077 6.709 1.00 1.98 H new ATOM 0 HG2 GLU A 633 -16.095 -4.086 8.595 1.00 3.00 H new ATOM 0 HG3 GLU A 633 -15.389 -5.246 7.488 1.00 3.00 H new ATOM 643 N ASP A 634 -16.839 -3.078 3.419 1.00 0.88 N ATOM 644 CA ASP A 634 -18.011 -2.949 2.562 1.00 1.65 C ATOM 645 C ASP A 634 -18.002 -4.014 1.469 1.00 1.62 C ATOM 646 O ASP A 634 -18.729 -3.906 0.482 1.00 2.47 O ATOM 647 CB ASP A 634 -18.058 -1.555 1.933 1.00 2.32 C ATOM 648 CG ASP A 634 -18.915 -0.589 2.728 1.00 2.83 C ATOM 649 OD1 ASP A 634 -18.396 0.005 3.696 1.00 3.41 O ATOM 650 OD2 ASP A 634 -20.103 -0.428 2.382 1.00 3.09 O ATOM 0 H ASP A 634 -16.064 -2.463 3.172 1.00 0.88 H new ATOM 0 HA ASP A 634 -18.900 -3.091 3.177 1.00 1.65 H new ATOM 0 HB2 ASP A 634 -17.045 -1.160 1.857 1.00 2.32 H new ATOM 0 HB3 ASP A 634 -18.447 -1.631 0.918 1.00 2.32 H new ATOM 655 N LYS A 635 -17.173 -5.040 1.655 1.00 0.79 N ATOM 656 CA LYS A 635 -17.063 -6.126 0.685 1.00 0.77 C ATOM 657 C LYS A 635 -16.812 -5.567 -0.711 1.00 0.64 C ATOM 658 O LYS A 635 -17.496 -5.928 -1.670 1.00 0.91 O ATOM 659 CB LYS A 635 -18.338 -6.974 0.694 1.00 0.91 C ATOM 660 CG LYS A 635 -18.135 -8.394 0.185 1.00 1.12 C ATOM 661 CD LYS A 635 -17.330 -9.235 1.165 1.00 1.39 C ATOM 662 CE LYS A 635 -18.044 -9.376 2.500 1.00 2.02 C ATOM 663 NZ LYS A 635 -18.075 -10.789 2.969 1.00 2.55 N ATOM 0 H LYS A 635 -16.568 -5.141 2.470 1.00 0.79 H new ATOM 0 HA LYS A 635 -16.219 -6.758 0.964 1.00 0.77 H new ATOM 0 HB2 LYS A 635 -18.729 -7.015 1.711 1.00 0.91 H new ATOM 0 HB3 LYS A 635 -19.094 -6.483 0.081 1.00 0.91 H new ATOM 0 HG2 LYS A 635 -19.105 -8.862 0.016 1.00 1.12 H new ATOM 0 HG3 LYS A 635 -17.622 -8.366 -0.777 1.00 1.12 H new ATOM 0 HD2 LYS A 635 -17.155 -10.223 0.739 1.00 1.39 H new ATOM 0 HD3 LYS A 635 -16.353 -8.778 1.321 1.00 1.39 H new ATOM 0 HE2 LYS A 635 -17.544 -8.757 3.246 1.00 2.02 H new ATOM 0 HE3 LYS A 635 -19.064 -9.002 2.407 1.00 2.02 H new ATOM 0 HZ1 LYS A 635 -18.570 -10.841 3.882 1.00 2.55 H new ATOM 0 HZ2 LYS A 635 -18.574 -11.376 2.270 1.00 2.55 H new ATOM 0 HZ3 LYS A 635 -17.102 -11.138 3.083 1.00 2.55 H new ATOM 677 N LYS A 636 -15.834 -4.673 -0.813 1.00 0.37 N ATOM 678 CA LYS A 636 -15.499 -4.049 -2.089 1.00 0.37 C ATOM 679 C LYS A 636 -14.016 -3.683 -2.145 1.00 0.31 C ATOM 680 O LYS A 636 -13.412 -3.340 -1.129 1.00 0.36 O ATOM 681 CB LYS A 636 -16.382 -2.812 -2.300 1.00 0.51 C ATOM 682 CG LYS A 636 -15.687 -1.655 -2.997 1.00 0.90 C ATOM 683 CD LYS A 636 -15.560 -1.897 -4.491 1.00 0.81 C ATOM 684 CE LYS A 636 -16.869 -1.622 -5.213 1.00 1.13 C ATOM 685 NZ LYS A 636 -16.914 -2.277 -6.550 1.00 1.60 N ATOM 0 H LYS A 636 -15.260 -4.364 -0.029 1.00 0.37 H new ATOM 0 HA LYS A 636 -15.689 -4.759 -2.894 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -17.256 -3.100 -2.885 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -16.745 -2.471 -1.331 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -16.246 -0.736 -2.823 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -14.696 -1.512 -2.566 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -14.777 -1.258 -4.899 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -15.255 -2.928 -4.669 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -17.701 -1.979 -4.606 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -16.999 -0.546 -5.331 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -17.822 -2.065 -7.010 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -16.136 -1.918 -7.139 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -16.815 -3.306 -6.436 1.00 1.60 H new ATOM 699 N TRP A 637 -13.432 -3.765 -3.339 1.00 0.25 N ATOM 700 CA TRP A 637 -12.019 -3.450 -3.525 1.00 0.21 C ATOM 701 C TRP A 637 -11.825 -1.997 -3.956 1.00 0.22 C ATOM 702 O TRP A 637 -12.564 -1.482 -4.795 1.00 0.26 O ATOM 703 CB TRP A 637 -11.395 -4.387 -4.567 1.00 0.22 C ATOM 704 CG TRP A 637 -11.496 -5.843 -4.216 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.017 -6.387 -3.075 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.056 -6.946 -5.018 1.00 0.33 C ATOM 707 NE1 TRP A 637 -11.930 -7.756 -3.120 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.344 -8.125 -4.302 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.449 -7.051 -6.272 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -11.043 -9.390 -4.800 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -10.151 -8.307 -6.765 1.00 0.60 C ATOM 712 CH2 TRP A 637 -10.450 -9.462 -6.031 1.00 0.60 C ATOM 0 H TRP A 637 -13.916 -4.047 -4.191 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.520 -3.593 -2.567 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -11.882 -4.221 -5.528 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.344 -4.126 -4.693 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -12.437 -5.821 -2.256 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.250 -8.395 -2.392 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -10.217 -6.166 -6.846 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.269 -10.282 -4.235 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -9.680 -8.400 -7.732 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -10.207 -10.429 -6.445 1.00 0.60 H new ATOM 723 N PHE A 638 -10.817 -1.347 -3.379 1.00 0.24 N ATOM 724 CA PHE A 638 -10.507 0.043 -3.699 1.00 0.30 C ATOM 725 C PHE A 638 -9.042 0.185 -4.096 1.00 0.27 C ATOM 726 O PHE A 638 -8.194 -0.590 -3.655 1.00 0.29 O ATOM 727 CB PHE A 638 -10.784 0.950 -2.497 1.00 0.41 C ATOM 728 CG PHE A 638 -12.239 1.225 -2.247 1.00 0.29 C ATOM 729 CD1 PHE A 638 -12.901 2.216 -2.954 1.00 0.76 C ATOM 730 CD2 PHE A 638 -12.939 0.502 -1.296 1.00 0.62 C ATOM 731 CE1 PHE A 638 -14.237 2.480 -2.717 1.00 0.87 C ATOM 732 CE2 PHE A 638 -14.274 0.760 -1.055 1.00 0.69 C ATOM 733 CZ PHE A 638 -14.925 1.750 -1.766 1.00 0.59 C ATOM 0 H PHE A 638 -10.198 -1.764 -2.684 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.143 0.342 -4.532 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.355 0.492 -1.606 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.268 1.899 -2.647 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.367 2.788 -3.698 1.00 0.76 H new ATOM 0 HD2 PHE A 638 -12.435 -0.272 -0.736 1.00 0.62 H new ATOM 0 HE1 PHE A 638 -14.742 3.255 -3.274 1.00 0.87 H new ATOM 0 HE2 PHE A 638 -14.809 0.188 -0.311 1.00 0.69 H new ATOM 0 HZ PHE A 638 -15.969 1.953 -1.579 1.00 0.59 H new ATOM 743 N THR A 639 -8.746 1.196 -4.902 1.00 0.25 N ATOM 744 CA THR A 639 -7.377 1.454 -5.323 1.00 0.25 C ATOM 745 C THR A 639 -6.706 2.385 -4.321 1.00 0.22 C ATOM 746 O THR A 639 -7.387 3.148 -3.645 1.00 0.21 O ATOM 747 CB THR A 639 -7.326 2.097 -6.722 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.655 2.351 -7.196 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.596 1.195 -7.706 1.00 0.39 C ATOM 0 H THR A 639 -9.434 1.849 -5.276 1.00 0.25 H new ATOM 0 HA THR A 639 -6.853 0.499 -5.367 1.00 0.25 H new ATOM 0 HB THR A 639 -6.783 3.039 -6.644 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.612 2.761 -8.085 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.573 1.670 -8.687 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.576 1.028 -7.359 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.115 0.239 -7.778 1.00 0.39 H new ATOM 757 N PRO A 640 -5.368 2.338 -4.196 1.00 0.23 N ATOM 758 CA PRO A 640 -4.634 3.193 -3.255 1.00 0.23 C ATOM 759 C PRO A 640 -5.121 4.642 -3.270 1.00 0.21 C ATOM 760 O PRO A 640 -4.919 5.385 -2.310 1.00 0.22 O ATOM 761 CB PRO A 640 -3.198 3.097 -3.761 1.00 0.27 C ATOM 762 CG PRO A 640 -3.110 1.729 -4.347 1.00 0.30 C ATOM 763 CD PRO A 640 -4.462 1.448 -4.950 1.00 0.27 C ATOM 0 HA PRO A 640 -4.763 2.874 -2.221 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -2.986 3.864 -4.506 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.480 3.231 -2.952 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.327 1.678 -5.104 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -2.863 0.992 -3.583 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.479 1.669 -6.017 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.742 0.401 -4.837 1.00 0.27 H new ATOM 771 N ARG A 641 -5.772 5.034 -4.362 1.00 0.20 N ATOM 772 CA ARG A 641 -6.296 6.388 -4.499 1.00 0.21 C ATOM 773 C ARG A 641 -7.732 6.471 -3.972 1.00 0.19 C ATOM 774 O ARG A 641 -8.050 7.323 -3.139 1.00 0.23 O ATOM 775 CB ARG A 641 -6.241 6.822 -5.969 1.00 0.25 C ATOM 776 CG ARG A 641 -7.245 7.904 -6.336 1.00 0.27 C ATOM 777 CD ARG A 641 -6.807 9.269 -5.827 1.00 0.62 C ATOM 778 NE ARG A 641 -5.834 9.899 -6.718 1.00 1.36 N ATOM 779 CZ ARG A 641 -5.180 11.019 -6.424 1.00 1.81 C ATOM 780 NH1 ARG A 641 -5.392 11.633 -5.267 1.00 2.09 N ATOM 781 NH2 ARG A 641 -4.311 11.526 -7.288 1.00 2.60 N ATOM 0 H ARG A 641 -5.949 4.431 -5.166 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.678 7.062 -3.906 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.237 7.182 -6.193 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.415 5.951 -6.600 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.363 7.939 -7.419 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.220 7.654 -5.917 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.679 9.916 -5.727 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.373 9.163 -4.833 1.00 0.62 H new ATOM 0 HE ARG A 641 -5.646 9.454 -7.616 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -6.059 11.246 -4.599 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -4.888 12.492 -5.046 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -4.144 11.057 -8.178 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -3.810 12.385 -7.062 1.00 2.60 H new ATOM 795 N GLU A 642 -8.591 5.578 -4.459 1.00 0.20 N ATOM 796 CA GLU A 642 -9.989 5.546 -4.036 1.00 0.23 C ATOM 797 C GLU A 642 -10.089 5.243 -2.546 1.00 0.23 C ATOM 798 O GLU A 642 -11.067 5.602 -1.887 1.00 0.26 O ATOM 799 CB GLU A 642 -10.762 4.497 -4.837 1.00 0.26 C ATOM 800 CG GLU A 642 -11.240 4.995 -6.192 1.00 0.63 C ATOM 801 CD GLU A 642 -12.329 4.122 -6.783 1.00 0.89 C ATOM 802 OE1 GLU A 642 -13.493 4.247 -6.347 1.00 1.60 O ATOM 803 OE2 GLU A 642 -12.018 3.310 -7.680 1.00 1.33 O ATOM 0 H GLU A 642 -8.343 4.867 -5.147 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.427 6.526 -4.223 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.127 3.624 -4.984 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.624 4.170 -4.255 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -11.612 6.014 -6.090 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -10.395 5.032 -6.880 1.00 0.63 H new ATOM 810 N PHE A 643 -9.060 4.589 -2.025 1.00 0.22 N ATOM 811 CA PHE A 643 -8.995 4.235 -0.616 1.00 0.23 C ATOM 812 C PHE A 643 -8.576 5.448 0.198 1.00 0.23 C ATOM 813 O PHE A 643 -9.069 5.672 1.301 1.00 0.25 O ATOM 814 CB PHE A 643 -8.008 3.086 -0.403 1.00 0.24 C ATOM 815 CG PHE A 643 -8.352 2.197 0.758 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.618 1.645 0.879 1.00 0.26 C ATOM 817 CD2 PHE A 643 -7.407 1.913 1.730 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.934 0.828 1.948 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.716 1.098 2.802 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.982 0.554 2.911 1.00 0.37 C ATOM 0 H PHE A 643 -8.249 4.290 -2.567 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.981 3.908 -0.285 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -7.966 2.483 -1.310 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -7.011 3.500 -0.249 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.366 1.856 0.129 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -6.416 2.334 1.649 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.924 0.404 2.030 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.970 0.886 3.553 1.00 0.33 H new ATOM 0 HZ PHE A 643 -9.227 -0.084 3.747 1.00 0.37 H new ATOM 830 N GLU A 644 -7.673 6.238 -0.375 1.00 0.22 N ATOM 831 CA GLU A 644 -7.194 7.450 0.272 1.00 0.24 C ATOM 832 C GLU A 644 -8.363 8.400 0.502 1.00 0.26 C ATOM 833 O GLU A 644 -8.388 9.157 1.470 1.00 0.29 O ATOM 834 CB GLU A 644 -6.123 8.119 -0.595 1.00 0.25 C ATOM 835 CG GLU A 644 -5.840 9.567 -0.225 1.00 0.33 C ATOM 836 CD GLU A 644 -5.474 10.414 -1.429 1.00 0.65 C ATOM 837 OE1 GLU A 644 -6.397 10.901 -2.114 1.00 1.01 O ATOM 838 OE2 GLU A 644 -4.265 10.588 -1.687 1.00 1.39 O ATOM 0 H GLU A 644 -7.258 6.058 -1.289 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.749 7.196 1.234 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.198 7.548 -0.516 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.436 8.076 -1.638 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.718 9.993 0.261 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -5.027 9.601 0.500 1.00 0.33 H new ATOM 845 N ILE A 645 -9.334 8.343 -0.403 1.00 0.27 N ATOM 846 CA ILE A 645 -10.520 9.185 -0.318 1.00 0.31 C ATOM 847 C ILE A 645 -11.410 8.765 0.855 1.00 0.31 C ATOM 848 O ILE A 645 -11.963 9.611 1.559 1.00 0.35 O ATOM 849 CB ILE A 645 -11.333 9.123 -1.631 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.656 9.969 -2.712 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.766 9.584 -1.412 1.00 0.43 C ATOM 852 CD1 ILE A 645 -11.225 9.753 -4.099 1.00 0.51 C ATOM 0 H ILE A 645 -9.322 7.718 -1.209 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.183 10.209 -0.155 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.363 8.085 -1.964 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -10.752 11.023 -2.450 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.590 9.740 -2.726 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.314 9.530 -2.353 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.246 8.941 -0.675 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.766 10.613 -1.051 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.696 10.386 -4.812 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -11.105 8.707 -4.383 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -12.284 10.010 -4.102 1.00 0.51 H new ATOM 864 N GLU A 646 -11.551 7.457 1.053 1.00 0.30 N ATOM 865 CA GLU A 646 -12.384 6.928 2.133 1.00 0.33 C ATOM 866 C GLU A 646 -11.678 7.006 3.486 1.00 0.27 C ATOM 867 O GLU A 646 -12.324 7.162 4.522 1.00 0.29 O ATOM 868 CB GLU A 646 -12.772 5.479 1.835 1.00 0.41 C ATOM 869 CG GLU A 646 -14.158 5.103 2.337 1.00 0.70 C ATOM 870 CD GLU A 646 -15.234 5.308 1.289 1.00 1.38 C ATOM 871 OE1 GLU A 646 -15.152 4.669 0.219 1.00 1.99 O ATOM 872 OE2 GLU A 646 -16.160 6.110 1.537 1.00 1.90 O ATOM 0 H GLU A 646 -11.100 6.743 0.481 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.281 7.545 2.188 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.728 5.314 0.758 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -12.038 4.814 2.290 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -14.156 4.059 2.651 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.396 5.700 3.218 1.00 0.70 H new ATOM 879 N GLY A 647 -10.353 6.895 3.473 1.00 0.23 N ATOM 880 CA GLY A 647 -9.588 6.954 4.708 1.00 0.25 C ATOM 881 C GLY A 647 -9.301 8.376 5.141 1.00 0.28 C ATOM 882 O GLY A 647 -9.500 8.734 6.301 1.00 0.65 O ATOM 0 H GLY A 647 -9.794 6.765 2.630 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.137 6.440 5.497 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.647 6.420 4.575 1.00 0.25 H new ATOM 886 N ASP A 648 -8.830 9.187 4.201 1.00 0.46 N ATOM 887 CA ASP A 648 -8.512 10.581 4.477 1.00 0.53 C ATOM 888 C ASP A 648 -9.694 11.483 4.136 1.00 0.61 C ATOM 889 O ASP A 648 -10.406 11.948 5.026 1.00 1.12 O ATOM 890 CB ASP A 648 -7.278 11.010 3.680 1.00 0.61 C ATOM 891 CG ASP A 648 -6.323 11.856 4.500 1.00 1.01 C ATOM 892 OD1 ASP A 648 -6.711 12.975 4.895 1.00 1.46 O ATOM 893 OD2 ASP A 648 -5.187 11.398 4.746 1.00 1.40 O ATOM 0 H ASP A 648 -8.660 8.900 3.237 1.00 0.46 H new ATOM 0 HA ASP A 648 -8.299 10.679 5.542 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.756 10.124 3.320 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -7.594 11.573 2.802 1.00 0.61 H new ATOM 898 N ARG A 649 -9.898 11.720 2.840 1.00 0.57 N ATOM 899 CA ARG A 649 -10.995 12.564 2.371 1.00 0.66 C ATOM 900 C ARG A 649 -10.979 12.685 0.852 1.00 0.72 C ATOM 901 O ARG A 649 -12.028 12.667 0.206 1.00 0.89 O ATOM 902 CB ARG A 649 -10.912 13.957 3.003 1.00 0.76 C ATOM 903 CG ARG A 649 -12.263 14.635 3.171 1.00 0.97 C ATOM 904 CD ARG A 649 -13.191 13.826 4.065 1.00 1.41 C ATOM 905 NE ARG A 649 -12.735 13.802 5.453 1.00 1.88 N ATOM 906 CZ ARG A 649 -13.061 12.849 6.320 1.00 2.63 C ATOM 907 NH1 ARG A 649 -13.843 11.845 5.945 1.00 2.98 N ATOM 908 NH2 ARG A 649 -12.604 12.898 7.565 1.00 3.19 N ATOM 0 H ARG A 649 -9.316 11.338 2.095 1.00 0.57 H new ATOM 0 HA ARG A 649 -11.930 12.092 2.673 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.433 13.875 3.979 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.273 14.589 2.386 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -12.121 15.628 3.597 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.726 14.771 2.194 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -14.195 14.248 4.021 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -13.258 12.805 3.688 1.00 1.41 H new ATOM 0 HE ARG A 649 -12.132 14.560 5.775 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -14.196 11.803 4.989 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -14.091 11.115 6.613 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -12.002 13.668 7.857 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -12.855 12.166 8.230 1.00 3.19 H new ATOM 922 N GLY A 650 -9.783 12.811 0.287 1.00 0.76 N ATOM 923 CA GLY A 650 -9.649 12.938 -1.152 1.00 0.89 C ATOM 924 C GLY A 650 -8.699 14.052 -1.547 1.00 0.90 C ATOM 925 O GLY A 650 -8.103 14.016 -2.624 1.00 1.02 O ATOM 0 H GLY A 650 -8.902 12.827 0.801 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -9.291 11.995 -1.566 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -10.629 13.127 -1.590 1.00 0.89 H new ATOM 929 N ALA A 651 -8.558 15.040 -0.669 1.00 0.85 N ATOM 930 CA ALA A 651 -7.675 16.172 -0.924 1.00 0.93 C ATOM 931 C ALA A 651 -6.247 15.860 -0.493 1.00 0.91 C ATOM 932 O ALA A 651 -5.346 16.683 -0.654 1.00 1.04 O ATOM 933 CB ALA A 651 -8.187 17.412 -0.205 1.00 0.99 C ATOM 0 H ALA A 651 -9.045 15.079 0.226 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.669 16.364 -1.997 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -7.519 18.250 -0.404 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -9.188 17.653 -0.563 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.222 17.222 0.868 1.00 0.99 H new ATOM 939 N SER A 652 -6.049 14.666 0.058 1.00 0.82 N ATOM 940 CA SER A 652 -4.729 14.243 0.514 1.00 0.89 C ATOM 941 C SER A 652 -3.726 14.248 -0.635 1.00 1.07 C ATOM 942 O SER A 652 -2.535 14.477 -0.425 1.00 1.98 O ATOM 943 CB SER A 652 -4.805 12.847 1.136 1.00 0.80 C ATOM 944 OG SER A 652 -3.751 12.643 2.061 1.00 1.30 O ATOM 0 H SER A 652 -6.785 13.975 0.199 1.00 0.82 H new ATOM 0 HA SER A 652 -4.389 14.952 1.269 1.00 0.89 H new ATOM 0 HB2 SER A 652 -5.764 12.721 1.639 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.755 12.092 0.351 1.00 0.80 H new ATOM 0 HG SER A 652 -4.117 12.301 2.904 1.00 1.30 H new ATOM 950 N LYS A 653 -4.222 13.992 -1.848 1.00 0.61 N ATOM 951 CA LYS A 653 -3.385 13.961 -3.049 1.00 0.69 C ATOM 952 C LYS A 653 -2.426 12.771 -3.025 1.00 0.53 C ATOM 953 O LYS A 653 -2.603 11.811 -3.777 1.00 0.60 O ATOM 954 CB LYS A 653 -2.607 15.273 -3.210 1.00 0.94 C ATOM 955 CG LYS A 653 -2.280 15.613 -4.655 1.00 1.24 C ATOM 956 CD LYS A 653 -0.797 15.441 -4.946 1.00 1.67 C ATOM 957 CE LYS A 653 -0.033 16.739 -4.733 1.00 2.12 C ATOM 958 NZ LYS A 653 1.085 16.893 -5.704 1.00 2.50 N ATOM 0 H LYS A 653 -5.208 13.802 -2.024 1.00 0.61 H new ATOM 0 HA LYS A 653 -4.046 13.846 -3.908 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.189 16.086 -2.777 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.679 15.208 -2.642 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -2.859 14.973 -5.321 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -2.576 16.641 -4.864 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -0.386 14.665 -4.300 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -0.664 15.103 -5.974 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -0.717 17.582 -4.830 1.00 2.12 H new ATOM 0 HE3 LYS A 653 0.362 16.765 -3.718 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 1.580 17.790 -5.524 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 1.751 16.102 -5.594 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 0.706 16.895 -6.672 1.00 2.50 H new ATOM 972 N ASN A 654 -1.415 12.832 -2.163 1.00 0.43 N ATOM 973 CA ASN A 654 -0.440 11.754 -2.052 1.00 0.36 C ATOM 974 C ASN A 654 -1.042 10.548 -1.338 1.00 0.31 C ATOM 975 O ASN A 654 -1.346 10.608 -0.146 1.00 0.36 O ATOM 976 CB ASN A 654 0.804 12.236 -1.306 1.00 0.46 C ATOM 977 CG ASN A 654 1.784 12.950 -2.215 1.00 0.85 C ATOM 978 OD1 ASN A 654 1.667 12.897 -3.439 1.00 1.63 O ATOM 979 ND2 ASN A 654 2.760 13.626 -1.619 1.00 1.50 N ATOM 0 H ASN A 654 -1.250 13.616 -1.532 1.00 0.43 H new ATOM 0 HA ASN A 654 -0.154 11.452 -3.059 1.00 0.36 H new ATOM 0 HB2 ASN A 654 0.504 12.907 -0.501 1.00 0.46 H new ATOM 0 HB3 ASN A 654 1.299 11.383 -0.842 1.00 0.46 H new ATOM 0 HD21 ASN A 654 3.449 14.127 -2.179 1.00 1.50 H new ATOM 0 HD22 ASN A 654 2.820 13.644 -0.601 1.00 1.50 H new ATOM 986 N TRP A 655 -1.215 9.458 -2.078 1.00 0.29 N ATOM 987 CA TRP A 655 -1.784 8.236 -1.521 1.00 0.30 C ATOM 988 C TRP A 655 -0.703 7.371 -0.879 1.00 0.29 C ATOM 989 O TRP A 655 -0.993 6.526 -0.033 1.00 0.32 O ATOM 990 CB TRP A 655 -2.498 7.443 -2.618 1.00 0.33 C ATOM 991 CG TRP A 655 -1.642 7.191 -3.822 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.583 7.946 -4.959 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.722 6.109 -4.011 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.683 7.400 -5.842 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.142 6.273 -5.284 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.331 5.019 -3.229 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.806 5.387 -5.791 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.609 4.140 -3.733 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.169 4.329 -5.003 1.00 0.49 C ATOM 0 H TRP A 655 -0.969 9.396 -3.066 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.502 8.517 -0.751 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.828 6.488 -2.210 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.393 7.985 -2.924 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.160 8.841 -5.138 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.455 7.774 -6.763 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.756 4.866 -2.248 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.239 5.530 -6.770 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 0.917 3.293 -3.138 1.00 0.46 H new ATOM 0 HH2 TRP A 655 1.902 3.625 -5.368 1.00 0.49 H new ATOM 1010 N LYS A 656 0.540 7.586 -1.295 1.00 0.28 N ATOM 1011 CA LYS A 656 1.667 6.824 -0.770 1.00 0.31 C ATOM 1012 C LYS A 656 1.879 7.102 0.716 1.00 0.25 C ATOM 1013 O LYS A 656 2.530 6.327 1.413 1.00 0.26 O ATOM 1014 CB LYS A 656 2.937 7.158 -1.551 1.00 0.43 C ATOM 1015 CG LYS A 656 2.764 7.061 -3.059 1.00 0.42 C ATOM 1016 CD LYS A 656 2.660 8.437 -3.698 1.00 0.81 C ATOM 1017 CE LYS A 656 3.401 8.492 -5.025 1.00 0.81 C ATOM 1018 NZ LYS A 656 2.479 8.333 -6.183 1.00 1.34 N ATOM 0 H LYS A 656 0.793 8.283 -1.995 1.00 0.28 H new ATOM 0 HA LYS A 656 1.441 5.764 -0.887 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.257 8.168 -1.294 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.734 6.482 -1.240 1.00 0.43 H new ATOM 0 HG2 LYS A 656 3.608 6.522 -3.489 1.00 0.42 H new ATOM 0 HG3 LYS A 656 1.868 6.484 -3.287 1.00 0.42 H new ATOM 0 HD2 LYS A 656 1.611 8.688 -3.855 1.00 0.81 H new ATOM 0 HD3 LYS A 656 3.069 9.186 -3.020 1.00 0.81 H new ATOM 0 HE2 LYS A 656 3.927 9.443 -5.108 1.00 0.81 H new ATOM 0 HE3 LYS A 656 4.156 7.707 -5.052 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 3.029 8.105 -7.036 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 1.807 7.563 -5.989 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 1.956 9.219 -6.335 1.00 1.34 H new ATOM 1032 N LEU A 657 1.326 8.210 1.195 1.00 0.24 N ATOM 1033 CA LEU A 657 1.462 8.583 2.600 1.00 0.27 C ATOM 1034 C LEU A 657 0.126 8.481 3.330 1.00 0.26 C ATOM 1035 O LEU A 657 0.086 8.299 4.546 1.00 0.33 O ATOM 1036 CB LEU A 657 2.006 10.007 2.722 1.00 0.36 C ATOM 1037 CG LEU A 657 3.341 10.257 2.019 1.00 0.39 C ATOM 1038 CD1 LEU A 657 3.598 11.749 1.882 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.476 9.584 2.775 1.00 0.50 C ATOM 0 H LEU A 657 0.781 8.865 0.634 1.00 0.24 H new ATOM 0 HA LEU A 657 2.163 7.887 3.062 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.266 10.697 2.317 1.00 0.36 H new ATOM 0 HB3 LEU A 657 2.120 10.246 3.779 1.00 0.36 H new ATOM 0 HG LEU A 657 3.292 9.824 1.020 1.00 0.39 H new ATOM 0 HD11 LEU A 657 4.552 11.909 1.380 1.00 0.52 H new ATOM 0 HD12 LEU A 657 2.799 12.204 1.297 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.628 12.205 2.871 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.418 9.773 2.260 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.528 9.986 3.787 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.296 8.510 2.821 1.00 0.50 H new ATOM 1051 N SER A 658 -0.963 8.614 2.581 1.00 0.24 N ATOM 1052 CA SER A 658 -2.301 8.551 3.158 1.00 0.29 C ATOM 1053 C SER A 658 -2.645 7.143 3.639 1.00 0.25 C ATOM 1054 O SER A 658 -3.447 6.973 4.557 1.00 0.30 O ATOM 1055 CB SER A 658 -3.337 9.017 2.135 1.00 0.34 C ATOM 1056 OG SER A 658 -4.542 9.405 2.770 1.00 1.18 O ATOM 0 H SER A 658 -0.946 8.766 1.573 1.00 0.24 H new ATOM 0 HA SER A 658 -2.318 9.213 4.023 1.00 0.29 H new ATOM 0 HB2 SER A 658 -2.937 9.855 1.564 1.00 0.34 H new ATOM 0 HB3 SER A 658 -3.538 8.215 1.425 1.00 0.34 H new ATOM 0 HG SER A 658 -4.360 10.135 3.399 1.00 1.18 H new ATOM 1062 N ILE A 659 -2.043 6.136 3.012 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.305 4.749 3.383 1.00 0.15 C ATOM 1064 C ILE A 659 -1.060 4.074 3.951 1.00 0.13 C ATOM 1065 O ILE A 659 0.061 4.351 3.527 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.810 3.928 2.179 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.983 4.639 1.501 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.213 2.528 2.626 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.584 3.861 0.348 1.00 0.27 C ATOM 0 H ILE A 659 -1.375 6.253 2.250 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.079 4.777 4.150 1.00 0.15 H new ATOM 0 HB ILE A 659 -2.001 3.838 1.454 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.759 4.829 2.243 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.646 5.609 1.136 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.567 1.959 1.766 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.352 2.024 3.064 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.009 2.598 3.368 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.410 4.428 -0.082 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.823 3.694 -0.414 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.953 2.901 0.710 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.276 3.174 4.906 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.186 2.435 5.534 1.00 0.17 C ATOM 1083 C ARG A 660 -0.332 0.942 5.250 1.00 0.20 C ATOM 1084 O ARG A 660 -1.383 0.492 4.796 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.160 2.682 7.048 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.855 3.966 7.475 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.366 4.435 8.837 1.00 0.32 C ATOM 1088 NE ARG A 660 -1.143 5.563 9.341 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.355 5.795 10.633 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -0.855 4.977 11.550 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -2.068 6.847 11.009 1.00 1.43 N ATOM 0 H ARG A 660 -2.202 2.938 5.263 1.00 0.17 H new ATOM 0 HA ARG A 660 0.755 2.789 5.112 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.633 1.839 7.552 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.877 2.713 7.384 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.673 4.744 6.734 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.932 3.804 7.509 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.424 3.610 9.546 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.683 4.721 8.766 1.00 0.32 H new ATOM 0 HE ARG A 660 -1.546 6.210 8.664 1.00 0.66 H new ATOM 0 HH11 ARG A 660 -0.305 4.166 11.265 1.00 1.74 H new ATOM 0 HH12 ARG A 660 -1.020 5.159 12.540 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -2.454 7.479 10.307 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -2.231 7.025 12.000 1.00 1.43 H new ATOM 1105 N CYS A 661 0.720 0.177 5.518 1.00 0.25 N ATOM 1106 CA CYS A 661 0.687 -1.264 5.287 1.00 0.29 C ATOM 1107 C CYS A 661 1.491 -2.001 6.351 1.00 0.33 C ATOM 1108 O CYS A 661 2.718 -2.078 6.275 1.00 0.36 O ATOM 1109 CB CYS A 661 1.232 -1.594 3.898 1.00 0.33 C ATOM 1110 SG CYS A 661 0.665 -3.181 3.244 1.00 1.57 S ATOM 0 H CYS A 661 1.602 0.527 5.893 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.350 -1.593 5.347 1.00 0.29 H new ATOM 0 HB2 CYS A 661 0.940 -0.803 3.207 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.321 -1.597 3.938 1.00 0.33 H new ATOM 0 HG CYS A 661 -0.181 -3.715 4.074 1.00 1.57 H new ATOM 1116 N GLY A 662 0.789 -2.542 7.344 1.00 0.36 N ATOM 1117 CA GLY A 662 1.450 -3.266 8.415 1.00 0.42 C ATOM 1118 C GLY A 662 2.164 -2.347 9.389 1.00 0.38 C ATOM 1119 O GLY A 662 2.335 -2.684 10.561 1.00 0.54 O ATOM 0 H GLY A 662 -0.226 -2.491 7.425 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.713 -3.860 8.956 1.00 0.42 H new ATOM 0 HA3 GLY A 662 2.169 -3.964 7.986 1.00 0.42 H new ATOM 1123 N GLY A 663 2.581 -1.183 8.900 1.00 0.34 N ATOM 1124 CA GLY A 663 3.276 -0.225 9.737 1.00 0.29 C ATOM 1125 C GLY A 663 3.820 0.941 8.936 1.00 0.23 C ATOM 1126 O GLY A 663 3.700 2.096 9.347 1.00 0.27 O ATOM 0 H GLY A 663 2.448 -0.886 7.933 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.596 0.148 10.503 1.00 0.29 H new ATOM 0 HA3 GLY A 663 4.096 -0.723 10.254 1.00 0.29 H new ATOM 1130 N TYR A 664 4.416 0.638 7.786 1.00 0.20 N ATOM 1131 CA TYR A 664 4.976 1.666 6.921 1.00 0.17 C ATOM 1132 C TYR A 664 4.050 1.936 5.738 1.00 0.15 C ATOM 1133 O TYR A 664 3.450 1.015 5.184 1.00 0.17 O ATOM 1134 CB TYR A 664 6.357 1.241 6.418 1.00 0.22 C ATOM 1135 CG TYR A 664 7.298 0.809 7.520 1.00 0.31 C ATOM 1136 CD1 TYR A 664 8.088 1.736 8.188 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.398 -0.527 7.891 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.950 1.346 9.195 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.257 -0.925 8.897 1.00 0.61 C ATOM 1140 CZ TYR A 664 9.030 0.015 9.546 1.00 0.62 C ATOM 1141 OH TYR A 664 9.888 -0.378 10.548 1.00 0.78 O ATOM 0 H TYR A 664 4.522 -0.313 7.433 1.00 0.20 H new ATOM 0 HA TYR A 664 5.077 2.584 7.500 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.240 0.421 5.710 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.807 2.071 5.873 1.00 0.22 H new ATOM 0 HD1 TYR A 664 8.027 2.779 7.916 1.00 0.45 H new ATOM 0 HD2 TYR A 664 6.794 -1.266 7.385 1.00 0.48 H new ATOM 0 HE1 TYR A 664 9.558 2.079 9.704 1.00 0.59 H new ATOM 0 HE2 TYR A 664 8.323 -1.967 9.174 1.00 0.61 H new ATOM 0 HH TYR A 664 10.539 -1.017 10.189 1.00 0.78 H new ATOM 1151 N THR A 665 3.940 3.203 5.358 1.00 0.14 N ATOM 1152 CA THR A 665 3.088 3.598 4.241 1.00 0.14 C ATOM 1153 C THR A 665 3.626 3.044 2.926 1.00 0.16 C ATOM 1154 O THR A 665 4.730 2.504 2.881 1.00 0.23 O ATOM 1155 CB THR A 665 2.984 5.132 4.134 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.148 5.659 3.487 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.833 5.764 5.510 1.00 0.26 C ATOM 0 H THR A 665 4.431 3.976 5.807 1.00 0.14 H new ATOM 0 HA THR A 665 2.097 3.186 4.431 1.00 0.14 H new ATOM 0 HB THR A 665 2.100 5.372 3.543 1.00 0.16 H new ATOM 0 HG1 THR A 665 3.880 6.161 2.689 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.762 6.847 5.407 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.930 5.385 5.988 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.699 5.514 6.122 1.00 0.26 H new ATOM 1165 N LEU A 666 2.846 3.185 1.855 1.00 0.16 N ATOM 1166 CA LEU A 666 3.263 2.697 0.543 1.00 0.19 C ATOM 1167 C LEU A 666 4.485 3.464 0.058 1.00 0.21 C ATOM 1168 O LEU A 666 5.310 2.930 -0.683 1.00 0.24 O ATOM 1169 CB LEU A 666 2.130 2.823 -0.480 1.00 0.21 C ATOM 1170 CG LEU A 666 0.996 1.802 -0.337 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.543 0.396 -0.133 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.091 2.188 0.817 1.00 0.25 C ATOM 0 H LEU A 666 1.928 3.630 1.870 1.00 0.16 H new ATOM 0 HA LEU A 666 3.518 1.642 0.644 1.00 0.19 H new ATOM 0 HB2 LEU A 666 1.706 3.824 -0.405 1.00 0.21 H new ATOM 0 HB3 LEU A 666 2.555 2.731 -1.480 1.00 0.21 H new ATOM 0 HG LEU A 666 0.417 1.805 -1.261 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.715 -0.306 -0.035 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.156 0.116 -0.990 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.150 0.370 0.772 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.712 1.456 0.910 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.669 2.212 1.741 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.336 3.173 0.631 1.00 0.25 H new ATOM 1184 N LYS A 667 4.599 4.717 0.490 1.00 0.20 N ATOM 1185 CA LYS A 667 5.730 5.552 0.109 1.00 0.23 C ATOM 1186 C LYS A 667 7.027 4.893 0.555 1.00 0.24 C ATOM 1187 O LYS A 667 8.013 4.864 -0.182 1.00 0.29 O ATOM 1188 CB LYS A 667 5.604 6.941 0.739 1.00 0.25 C ATOM 1189 CG LYS A 667 6.762 7.868 0.406 1.00 0.42 C ATOM 1190 CD LYS A 667 6.399 8.835 -0.708 1.00 1.05 C ATOM 1191 CE LYS A 667 7.135 8.504 -1.996 1.00 1.68 C ATOM 1192 NZ LYS A 667 6.248 8.609 -3.188 1.00 2.05 N ATOM 0 H LYS A 667 3.923 5.174 1.102 1.00 0.20 H new ATOM 0 HA LYS A 667 5.737 5.663 -0.975 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.674 7.400 0.403 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.534 6.835 1.822 1.00 0.25 H new ATOM 0 HG2 LYS A 667 7.049 8.428 1.296 1.00 0.42 H new ATOM 0 HG3 LYS A 667 7.628 7.277 0.108 1.00 0.42 H new ATOM 0 HD2 LYS A 667 5.324 8.802 -0.884 1.00 1.05 H new ATOM 0 HD3 LYS A 667 6.641 9.853 -0.401 1.00 1.05 H new ATOM 0 HE2 LYS A 667 7.982 9.180 -2.114 1.00 1.68 H new ATOM 0 HE3 LYS A 667 7.540 7.494 -1.933 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 6.789 8.375 -4.045 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 5.453 7.946 -3.089 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 5.882 9.579 -3.264 1.00 2.05 H new ATOM 1206 N VAL A 668 7.006 4.346 1.764 1.00 0.25 N ATOM 1207 CA VAL A 668 8.166 3.665 2.312 1.00 0.30 C ATOM 1208 C VAL A 668 8.246 2.244 1.773 1.00 0.30 C ATOM 1209 O VAL A 668 9.329 1.747 1.472 1.00 0.38 O ATOM 1210 CB VAL A 668 8.124 3.623 3.853 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.383 2.968 4.405 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.951 5.022 4.419 1.00 0.47 C ATOM 0 H VAL A 668 6.195 4.362 2.383 1.00 0.25 H new ATOM 0 HA VAL A 668 9.049 4.227 2.006 1.00 0.30 H new ATOM 0 HB VAL A 668 7.267 3.023 4.159 1.00 0.34 H new ATOM 0 HG11 VAL A 668 9.335 2.948 5.494 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.459 1.949 4.026 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.257 3.538 4.091 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.923 4.973 5.508 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.787 5.647 4.105 1.00 0.47 H new ATOM 0 HG23 VAL A 668 7.019 5.451 4.051 1.00 0.47 H new ATOM 1222 N LEU A 669 7.087 1.601 1.643 1.00 0.26 N ATOM 1223 CA LEU A 669 7.017 0.238 1.129 1.00 0.32 C ATOM 1224 C LEU A 669 7.556 0.181 -0.295 1.00 0.38 C ATOM 1225 O LEU A 669 8.057 -0.851 -0.741 1.00 0.47 O ATOM 1226 CB LEU A 669 5.574 -0.269 1.163 1.00 0.36 C ATOM 1227 CG LEU A 669 5.301 -1.393 2.165 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.322 -0.859 3.589 1.00 0.36 C ATOM 1229 CD2 LEU A 669 3.968 -2.058 1.864 1.00 0.38 C ATOM 0 H LEU A 669 6.183 2.005 1.888 1.00 0.26 H new ATOM 0 HA LEU A 669 7.630 -0.403 1.763 1.00 0.32 H new ATOM 0 HB2 LEU A 669 4.917 0.569 1.394 1.00 0.36 H new ATOM 0 HB3 LEU A 669 5.305 -0.619 0.166 1.00 0.36 H new ATOM 0 HG LEU A 669 6.090 -2.139 2.069 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.126 -1.674 4.286 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.300 -0.427 3.801 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.555 -0.093 3.702 1.00 0.36 H new ATOM 0 HD21 LEU A 669 3.788 -2.855 2.585 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.169 -1.320 1.933 1.00 0.38 H new ATOM 0 HD23 LEU A 669 3.989 -2.477 0.858 1.00 0.38 H new ATOM 1241 N MET A 670 7.463 1.304 -0.996 1.00 0.36 N ATOM 1242 CA MET A 670 7.960 1.392 -2.363 1.00 0.44 C ATOM 1243 C MET A 670 9.408 1.865 -2.363 1.00 0.47 C ATOM 1244 O MET A 670 10.087 1.832 -3.390 1.00 0.55 O ATOM 1245 CB MET A 670 7.091 2.348 -3.187 1.00 0.48 C ATOM 1246 CG MET A 670 7.418 3.818 -2.975 1.00 0.45 C ATOM 1247 SD MET A 670 7.350 4.772 -4.504 1.00 0.71 S ATOM 1248 CE MET A 670 5.630 4.561 -4.957 1.00 0.70 C ATOM 0 H MET A 670 7.048 2.166 -0.641 1.00 0.36 H new ATOM 0 HA MET A 670 7.912 0.402 -2.817 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.208 2.109 -4.244 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.044 2.179 -2.936 1.00 0.48 H new ATOM 0 HG2 MET A 670 6.718 4.242 -2.255 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.414 3.906 -2.540 1.00 0.45 H new ATOM 0 HE1 MET A 670 5.367 5.281 -5.732 1.00 0.70 H new ATOM 0 HE2 MET A 670 5.474 3.550 -5.334 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.001 4.723 -4.082 1.00 0.70 H new ATOM 1258 N GLU A 671 9.866 2.315 -1.200 1.00 0.42 N ATOM 1259 CA GLU A 671 11.226 2.812 -1.046 1.00 0.47 C ATOM 1260 C GLU A 671 12.168 1.733 -0.511 1.00 0.51 C ATOM 1261 O GLU A 671 13.376 1.789 -0.745 1.00 0.59 O ATOM 1262 CB GLU A 671 11.239 4.023 -0.113 1.00 0.45 C ATOM 1263 CG GLU A 671 12.419 4.954 -0.338 1.00 0.88 C ATOM 1264 CD GLU A 671 11.989 6.347 -0.756 1.00 1.56 C ATOM 1265 OE1 GLU A 671 11.407 7.065 0.083 1.00 1.90 O ATOM 1266 OE2 GLU A 671 12.236 6.718 -1.922 1.00 2.39 O ATOM 0 H GLU A 671 9.310 2.345 -0.345 1.00 0.42 H new ATOM 0 HA GLU A 671 11.583 3.106 -2.033 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.314 4.584 -0.247 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.254 3.675 0.920 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.007 5.018 0.578 1.00 0.88 H new ATOM 0 HG3 GLU A 671 13.069 4.533 -1.105 1.00 0.88 H new ATOM 1273 N ASN A 672 11.624 0.754 0.214 1.00 0.47 N ATOM 1274 CA ASN A 672 12.448 -0.313 0.773 1.00 0.53 C ATOM 1275 C ASN A 672 12.591 -1.476 -0.205 1.00 0.60 C ATOM 1276 O ASN A 672 13.645 -1.647 -0.820 1.00 0.72 O ATOM 1277 CB ASN A 672 11.884 -0.809 2.112 1.00 0.50 C ATOM 1278 CG ASN A 672 10.382 -0.653 2.220 1.00 0.82 C ATOM 1279 OD1 ASN A 672 9.645 -1.001 1.301 1.00 1.54 O ATOM 1280 ND2 ASN A 672 9.919 -0.130 3.353 1.00 0.62 N ATOM 0 H ASN A 672 10.629 0.680 0.425 1.00 0.47 H new ATOM 0 HA ASN A 672 13.438 0.105 0.952 1.00 0.53 H new ATOM 0 HB2 ASN A 672 12.144 -1.860 2.242 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.359 -0.260 2.925 1.00 0.50 H new ATOM 0 HD21 ASN A 672 8.915 -0.004 3.484 1.00 0.62 H new ATOM 0 HD22 ASN A 672 10.568 0.145 4.090 1.00 0.62 H new ATOM 1287 N LYS A 673 11.535 -2.276 -0.344 1.00 0.59 N ATOM 1288 CA LYS A 673 11.566 -3.425 -1.252 1.00 0.69 C ATOM 1289 C LYS A 673 10.219 -4.147 -1.311 1.00 0.68 C ATOM 1290 O LYS A 673 9.967 -4.917 -2.240 1.00 0.95 O ATOM 1291 CB LYS A 673 12.653 -4.411 -0.818 1.00 0.87 C ATOM 1292 CG LYS A 673 12.527 -4.859 0.630 1.00 0.94 C ATOM 1293 CD LYS A 673 13.700 -4.373 1.466 1.00 1.46 C ATOM 1294 CE LYS A 673 13.264 -3.995 2.873 1.00 1.87 C ATOM 1295 NZ LYS A 673 14.106 -2.906 3.442 1.00 2.62 N ATOM 0 H LYS A 673 10.654 -2.153 0.155 1.00 0.59 H new ATOM 0 HA LYS A 673 11.787 -3.043 -2.249 1.00 0.69 H new ATOM 0 HB2 LYS A 673 12.616 -5.287 -1.465 1.00 0.87 H new ATOM 0 HB3 LYS A 673 13.630 -3.949 -0.963 1.00 0.87 H new ATOM 0 HG2 LYS A 673 11.596 -4.478 1.050 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.474 -5.947 0.672 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.460 -5.153 1.517 1.00 1.46 H new ATOM 0 HD3 LYS A 673 14.160 -3.511 0.983 1.00 1.46 H new ATOM 0 HE2 LYS A 673 12.222 -3.677 2.857 1.00 1.87 H new ATOM 0 HE3 LYS A 673 13.320 -4.872 3.518 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 13.555 -2.372 4.144 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 14.943 -3.318 3.901 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 14.409 -2.267 2.680 1.00 2.62 H new ATOM 1309 N PHE A 674 9.367 -3.912 -0.317 1.00 0.67 N ATOM 1310 CA PHE A 674 8.056 -4.556 -0.258 1.00 0.75 C ATOM 1311 C PHE A 674 7.316 -4.459 -1.592 1.00 0.99 C ATOM 1312 O PHE A 674 6.624 -5.396 -1.992 1.00 1.51 O ATOM 1313 CB PHE A 674 7.213 -3.938 0.857 1.00 0.64 C ATOM 1314 CG PHE A 674 7.746 -4.219 2.235 1.00 0.66 C ATOM 1315 CD1 PHE A 674 7.666 -5.492 2.776 1.00 0.91 C ATOM 1316 CD2 PHE A 674 8.326 -3.210 2.986 1.00 0.70 C ATOM 1317 CE1 PHE A 674 8.155 -5.753 4.042 1.00 1.04 C ATOM 1318 CE2 PHE A 674 8.815 -3.465 4.253 1.00 0.85 C ATOM 1319 CZ PHE A 674 8.730 -4.737 4.782 1.00 0.97 C ATOM 0 H PHE A 674 9.560 -3.280 0.460 1.00 0.67 H new ATOM 0 HA PHE A 674 8.218 -5.613 -0.045 1.00 0.75 H new ATOM 0 HB2 PHE A 674 7.162 -2.859 0.708 1.00 0.64 H new ATOM 0 HB3 PHE A 674 6.194 -4.318 0.785 1.00 0.64 H new ATOM 0 HD1 PHE A 674 7.217 -6.289 2.202 1.00 0.91 H new ATOM 0 HD2 PHE A 674 8.397 -2.213 2.577 1.00 0.70 H new ATOM 0 HE1 PHE A 674 8.088 -6.750 4.453 1.00 1.04 H new ATOM 0 HE2 PHE A 674 9.264 -2.669 4.829 1.00 0.85 H new ATOM 0 HZ PHE A 674 9.112 -4.938 5.772 1.00 0.97 H new ATOM 1329 N LEU A 675 7.465 -3.331 -2.280 1.00 0.81 N ATOM 1330 CA LEU A 675 6.808 -3.132 -3.567 1.00 1.08 C ATOM 1331 C LEU A 675 7.837 -3.030 -4.693 1.00 1.12 C ATOM 1332 O LEU A 675 8.874 -2.386 -4.535 1.00 1.50 O ATOM 1333 CB LEU A 675 5.941 -1.872 -3.538 1.00 1.55 C ATOM 1334 CG LEU A 675 5.400 -1.438 -4.900 1.00 2.59 C ATOM 1335 CD1 LEU A 675 3.942 -1.839 -5.053 1.00 3.52 C ATOM 1336 CD2 LEU A 675 5.567 0.060 -5.087 1.00 3.12 C ATOM 0 H LEU A 675 8.033 -2.543 -1.969 1.00 0.81 H new ATOM 0 HA LEU A 675 6.170 -3.996 -3.756 1.00 1.08 H new ATOM 0 HB2 LEU A 675 5.100 -2.041 -2.865 1.00 1.55 H new ATOM 0 HB3 LEU A 675 6.526 -1.054 -3.117 1.00 1.55 H new ATOM 0 HG LEU A 675 5.975 -1.947 -5.674 1.00 2.59 H new ATOM 0 HD11 LEU A 675 3.578 -1.520 -6.030 1.00 3.52 H new ATOM 0 HD12 LEU A 675 3.852 -2.922 -4.968 1.00 3.52 H new ATOM 0 HD13 LEU A 675 3.350 -1.363 -4.272 1.00 3.52 H new ATOM 0 HD21 LEU A 675 5.176 0.351 -6.062 1.00 3.12 H new ATOM 0 HD22 LEU A 675 5.020 0.587 -4.305 1.00 3.12 H new ATOM 0 HD23 LEU A 675 6.624 0.318 -5.028 1.00 3.12 H new ATOM 1348 N PRO A 676 7.562 -3.663 -5.851 1.00 1.82 N ATOM 1349 CA PRO A 676 8.474 -3.630 -6.998 1.00 2.51 C ATOM 1350 C PRO A 676 8.628 -2.220 -7.569 1.00 2.17 C ATOM 1351 O PRO A 676 9.471 -1.450 -7.109 1.00 2.84 O ATOM 1352 CB PRO A 676 7.811 -4.564 -8.017 1.00 3.39 C ATOM 1353 CG PRO A 676 6.375 -4.603 -7.626 1.00 3.37 C ATOM 1354 CD PRO A 676 6.349 -4.453 -6.132 1.00 2.53 C ATOM 0 HA PRO A 676 9.484 -3.938 -6.727 1.00 2.51 H new ATOM 0 HB2 PRO A 676 7.933 -4.190 -9.033 1.00 3.39 H new ATOM 0 HB3 PRO A 676 8.255 -5.559 -7.988 1.00 3.39 H new ATOM 0 HG2 PRO A 676 5.817 -3.800 -8.109 1.00 3.37 H new ATOM 0 HG3 PRO A 676 5.913 -5.541 -7.932 1.00 3.37 H new ATOM 0 HD2 PRO A 676 5.448 -3.941 -5.794 1.00 2.53 H new ATOM 0 HD3 PRO A 676 6.373 -5.420 -5.630 1.00 2.53 H new ATOM 1362 N GLU A 677 7.807 -1.887 -8.566 1.00 1.51 N ATOM 1363 CA GLU A 677 7.849 -0.567 -9.194 1.00 1.48 C ATOM 1364 C GLU A 677 9.211 -0.303 -9.843 1.00 2.02 C ATOM 1365 O GLU A 677 10.199 -0.963 -9.519 1.00 2.46 O ATOM 1366 CB GLU A 677 7.537 0.521 -8.160 1.00 1.69 C ATOM 1367 CG GLU A 677 6.170 1.161 -8.344 1.00 2.11 C ATOM 1368 CD GLU A 677 6.250 2.662 -8.543 1.00 2.56 C ATOM 1369 OE1 GLU A 677 7.038 3.316 -7.827 1.00 3.15 O ATOM 1370 OE2 GLU A 677 5.525 3.184 -9.416 1.00 2.73 O ATOM 0 H GLU A 677 7.104 -2.515 -8.956 1.00 1.51 H new ATOM 0 HA GLU A 677 7.092 -0.543 -9.978 1.00 1.48 H new ATOM 0 HB2 GLU A 677 7.595 0.089 -7.161 1.00 1.69 H new ATOM 0 HB3 GLU A 677 8.302 1.295 -8.217 1.00 1.69 H new ATOM 0 HG2 GLU A 677 5.675 0.710 -9.204 1.00 2.11 H new ATOM 0 HG3 GLU A 677 5.552 0.946 -7.472 1.00 2.11 H new ATOM 1377 N PRO A 678 9.285 0.669 -10.774 1.00 2.63 N ATOM 1378 CA PRO A 678 10.537 1.012 -11.462 1.00 3.54 C ATOM 1379 C PRO A 678 11.677 1.292 -10.480 1.00 3.56 C ATOM 1380 O PRO A 678 11.448 1.398 -9.275 1.00 3.96 O ATOM 1381 CB PRO A 678 10.176 2.279 -12.244 1.00 4.28 C ATOM 1382 CG PRO A 678 8.705 2.189 -12.453 1.00 4.13 C ATOM 1383 CD PRO A 678 8.159 1.509 -11.230 1.00 3.01 C ATOM 0 HA PRO A 678 10.897 0.198 -12.091 1.00 3.54 H new ATOM 0 HB2 PRO A 678 10.442 3.177 -11.687 1.00 4.28 H new ATOM 0 HB3 PRO A 678 10.709 2.323 -13.194 1.00 4.28 H new ATOM 0 HG2 PRO A 678 8.267 3.179 -12.579 1.00 4.13 H new ATOM 0 HG3 PRO A 678 8.472 1.621 -13.353 1.00 4.13 H new ATOM 0 HD2 PRO A 678 7.861 2.230 -10.469 1.00 3.01 H new ATOM 0 HD3 PRO A 678 7.279 0.909 -11.463 1.00 3.01 H new ATOM 1391 N PRO A 679 12.925 1.415 -10.984 1.00 3.55 N ATOM 1392 CA PRO A 679 14.098 1.681 -10.145 1.00 3.99 C ATOM 1393 C PRO A 679 13.812 2.675 -9.022 1.00 3.99 C ATOM 1394 O PRO A 679 13.739 3.882 -9.250 1.00 4.37 O ATOM 1395 CB PRO A 679 15.093 2.268 -11.142 1.00 4.35 C ATOM 1396 CG PRO A 679 14.777 1.581 -12.427 1.00 4.18 C ATOM 1397 CD PRO A 679 13.294 1.301 -12.411 1.00 3.61 C ATOM 0 HA PRO A 679 14.449 0.786 -9.632 1.00 3.99 H new ATOM 0 HB2 PRO A 679 14.978 3.348 -11.230 1.00 4.35 H new ATOM 0 HB3 PRO A 679 16.122 2.081 -10.834 1.00 4.35 H new ATOM 0 HG2 PRO A 679 15.044 2.208 -13.278 1.00 4.18 H new ATOM 0 HG3 PRO A 679 15.345 0.656 -12.522 1.00 4.18 H new ATOM 0 HD2 PRO A 679 12.746 2.017 -13.024 1.00 3.61 H new ATOM 0 HD3 PRO A 679 13.071 0.309 -12.803 1.00 3.61 H new ATOM 1405 N SER A 680 13.651 2.151 -7.809 1.00 3.91 N ATOM 1406 CA SER A 680 13.371 2.981 -6.642 1.00 4.07 C ATOM 1407 C SER A 680 14.466 4.024 -6.440 1.00 4.49 C ATOM 1408 O SER A 680 14.203 5.227 -6.465 1.00 5.02 O ATOM 1409 CB SER A 680 13.245 2.110 -5.390 1.00 4.21 C ATOM 1410 OG SER A 680 14.204 1.067 -5.395 1.00 4.77 O ATOM 0 H SER A 680 13.710 1.152 -7.609 1.00 3.91 H new ATOM 0 HA SER A 680 12.428 3.499 -6.814 1.00 4.07 H new ATOM 0 HB2 SER A 680 13.377 2.726 -4.500 1.00 4.21 H new ATOM 0 HB3 SER A 680 12.242 1.686 -5.338 1.00 4.21 H new ATOM 0 HG SER A 680 14.103 0.526 -4.584 1.00 4.77 H new ATOM 1416 N THR A 681 15.693 3.554 -6.244 1.00 4.52 N ATOM 1417 CA THR A 681 16.829 4.443 -6.040 1.00 4.97 C ATOM 1418 C THR A 681 18.139 3.748 -6.401 1.00 4.98 C ATOM 1419 O THR A 681 18.611 3.846 -7.533 1.00 5.26 O ATOM 1420 CB THR A 681 16.904 4.936 -4.582 1.00 5.25 C ATOM 1421 OG1 THR A 681 16.204 4.028 -3.721 1.00 4.72 O ATOM 1422 CG2 THR A 681 16.309 6.329 -4.450 1.00 5.94 C ATOM 0 H THR A 681 15.926 2.561 -6.222 1.00 4.52 H new ATOM 0 HA THR A 681 16.683 5.301 -6.696 1.00 4.97 H new ATOM 0 HB THR A 681 17.953 4.978 -4.289 1.00 5.25 H new ATOM 0 HG1 THR A 681 16.258 4.347 -2.796 1.00 4.72 H new ATOM 0 HG21 THR A 681 16.373 6.655 -3.412 1.00 5.94 H new ATOM 0 HG22 THR A 681 16.862 7.022 -5.083 1.00 5.94 H new ATOM 0 HG23 THR A 681 15.264 6.309 -4.760 1.00 5.94 H new ATOM 1430 N ARG A 682 18.718 3.046 -5.429 1.00 5.05 N ATOM 1431 CA ARG A 682 19.972 2.333 -5.637 1.00 5.36 C ATOM 1432 C ARG A 682 20.330 1.511 -4.401 1.00 5.59 C ATOM 1433 O ARG A 682 19.447 1.013 -3.702 1.00 5.99 O ATOM 1434 CB ARG A 682 21.097 3.321 -5.961 1.00 5.82 C ATOM 1435 CG ARG A 682 21.677 3.149 -7.356 1.00 6.32 C ATOM 1436 CD ARG A 682 22.031 4.489 -7.981 1.00 7.07 C ATOM 1437 NE ARG A 682 21.365 4.689 -9.265 1.00 7.67 N ATOM 1438 CZ ARG A 682 20.940 5.871 -9.699 1.00 8.17 C ATOM 1439 NH1 ARG A 682 21.115 6.958 -8.957 1.00 8.15 N ATOM 1440 NH2 ARG A 682 20.338 5.969 -10.878 1.00 8.91 N ATOM 0 H ARG A 682 18.336 2.957 -4.488 1.00 5.05 H new ATOM 0 HA ARG A 682 19.848 1.654 -6.481 1.00 5.36 H new ATOM 0 HB2 ARG A 682 20.717 4.337 -5.858 1.00 5.82 H new ATOM 0 HB3 ARG A 682 21.895 3.203 -5.228 1.00 5.82 H new ATOM 0 HG2 ARG A 682 22.568 2.523 -7.306 1.00 6.32 H new ATOM 0 HG3 ARG A 682 20.957 2.630 -7.989 1.00 6.32 H new ATOM 0 HD2 ARG A 682 21.751 5.292 -7.299 1.00 7.07 H new ATOM 0 HD3 ARG A 682 23.110 4.550 -8.120 1.00 7.07 H new ATOM 0 HE ARG A 682 21.218 3.876 -9.863 1.00 7.67 H new ATOM 0 HH11 ARG A 682 21.577 6.888 -8.050 1.00 8.15 H new ATOM 0 HH12 ARG A 682 20.787 7.863 -9.294 1.00 8.15 H new ATOM 0 HH21 ARG A 682 20.201 5.137 -11.452 1.00 8.91 H new ATOM 0 HH22 ARG A 682 20.012 6.877 -11.210 1.00 8.91 H new ATOM 1454 N LYS A 683 21.626 1.374 -4.132 1.00 5.68 N ATOM 1455 CA LYS A 683 22.090 0.614 -2.978 1.00 6.16 C ATOM 1456 C LYS A 683 22.563 1.549 -1.869 1.00 6.08 C ATOM 1457 O LYS A 683 22.810 2.732 -2.106 1.00 6.38 O ATOM 1458 CB LYS A 683 23.220 -0.331 -3.385 1.00 6.84 C ATOM 1459 CG LYS A 683 22.877 -1.801 -3.211 1.00 7.51 C ATOM 1460 CD LYS A 683 24.118 -2.674 -3.280 1.00 8.10 C ATOM 1461 CE LYS A 683 23.781 -4.088 -3.722 1.00 8.80 C ATOM 1462 NZ LYS A 683 24.111 -4.318 -5.156 1.00 9.15 N ATOM 0 H LYS A 683 22.372 1.779 -4.698 1.00 5.68 H new ATOM 0 HA LYS A 683 21.255 0.025 -2.600 1.00 6.16 H new ATOM 0 HB2 LYS A 683 23.477 -0.148 -4.428 1.00 6.84 H new ATOM 0 HB3 LYS A 683 24.106 -0.101 -2.793 1.00 6.84 H new ATOM 0 HG2 LYS A 683 22.380 -1.949 -2.252 1.00 7.51 H new ATOM 0 HG3 LYS A 683 22.173 -2.106 -3.985 1.00 7.51 H new ATOM 0 HD2 LYS A 683 24.834 -2.236 -3.975 1.00 8.10 H new ATOM 0 HD3 LYS A 683 24.599 -2.702 -2.302 1.00 8.10 H new ATOM 0 HE2 LYS A 683 24.328 -4.801 -3.105 1.00 8.80 H new ATOM 0 HE3 LYS A 683 22.720 -4.275 -3.560 1.00 8.80 H new ATOM 0 HZ1 LYS A 683 23.866 -5.295 -5.416 1.00 9.15 H new ATOM 0 HZ2 LYS A 683 23.570 -3.656 -5.747 1.00 9.15 H new ATOM 0 HZ3 LYS A 683 25.129 -4.165 -5.307 1.00 9.15 H new ATOM 1476 N LYS A 684 22.686 1.009 -0.660 1.00 5.95 N ATOM 1477 CA LYS A 684 23.128 1.789 0.492 1.00 6.06 C ATOM 1478 C LYS A 684 22.215 2.991 0.722 1.00 5.78 C ATOM 1479 O LYS A 684 22.684 4.099 0.981 1.00 6.00 O ATOM 1480 CB LYS A 684 24.573 2.258 0.297 1.00 6.68 C ATOM 1481 CG LYS A 684 25.591 1.133 0.359 1.00 7.27 C ATOM 1482 CD LYS A 684 26.357 1.000 -0.947 1.00 8.09 C ATOM 1483 CE LYS A 684 27.427 -0.076 -0.859 1.00 8.81 C ATOM 1484 NZ LYS A 684 28.642 0.405 -0.142 1.00 9.41 N ATOM 0 H LYS A 684 22.485 0.031 -0.452 1.00 5.95 H new ATOM 0 HA LYS A 684 23.079 1.147 1.371 1.00 6.06 H new ATOM 0 HB2 LYS A 684 24.656 2.759 -0.667 1.00 6.68 H new ATOM 0 HB3 LYS A 684 24.813 2.996 1.062 1.00 6.68 H new ATOM 0 HG2 LYS A 684 26.290 1.319 1.174 1.00 7.27 H new ATOM 0 HG3 LYS A 684 25.084 0.194 0.581 1.00 7.27 H new ATOM 0 HD2 LYS A 684 25.664 0.760 -1.753 1.00 8.09 H new ATOM 0 HD3 LYS A 684 26.819 1.955 -1.197 1.00 8.09 H new ATOM 0 HE2 LYS A 684 27.023 -0.948 -0.344 1.00 8.81 H new ATOM 0 HE3 LYS A 684 27.702 -0.398 -1.864 1.00 8.81 H new ATOM 0 HZ1 LYS A 684 29.347 -0.358 -0.104 1.00 9.41 H new ATOM 0 HZ2 LYS A 684 29.042 1.221 -0.647 1.00 9.41 H new ATOM 0 HZ3 LYS A 684 28.385 0.688 0.825 1.00 9.41 H new ATOM 1498 N VAL A 685 20.909 2.760 0.628 1.00 5.66 N ATOM 1499 CA VAL A 685 19.928 3.821 0.828 1.00 5.70 C ATOM 1500 C VAL A 685 19.389 3.806 2.255 1.00 5.50 C ATOM 1501 O VAL A 685 19.252 2.747 2.866 1.00 5.70 O ATOM 1502 CB VAL A 685 18.748 3.692 -0.156 1.00 6.07 C ATOM 1503 CG1 VAL A 685 17.902 4.957 -0.148 1.00 6.54 C ATOM 1504 CG2 VAL A 685 19.253 3.388 -1.559 1.00 6.40 C ATOM 0 H VAL A 685 20.506 1.848 0.415 1.00 5.66 H new ATOM 0 HA VAL A 685 20.441 4.765 0.644 1.00 5.70 H new ATOM 0 HB VAL A 685 18.120 2.862 0.167 1.00 6.07 H new ATOM 0 HG11 VAL A 685 17.075 4.846 -0.849 1.00 6.54 H new ATOM 0 HG12 VAL A 685 17.508 5.125 0.854 1.00 6.54 H new ATOM 0 HG13 VAL A 685 18.516 5.807 -0.444 1.00 6.54 H new ATOM 0 HG21 VAL A 685 18.406 3.300 -2.240 1.00 6.40 H new ATOM 0 HG22 VAL A 685 19.905 4.195 -1.894 1.00 6.40 H new ATOM 0 HG23 VAL A 685 19.810 2.451 -1.550 1.00 6.40 H new ATOM 1514 N THR A 686 19.087 4.990 2.781 1.00 5.42 N ATOM 1515 CA THR A 686 18.566 5.113 4.138 1.00 5.41 C ATOM 1516 C THR A 686 17.116 4.645 4.216 1.00 4.84 C ATOM 1517 O THR A 686 16.458 4.462 3.193 1.00 4.79 O ATOM 1518 CB THR A 686 18.654 6.564 4.644 1.00 6.06 C ATOM 1519 OG1 THR A 686 19.354 7.375 3.694 1.00 6.59 O ATOM 1520 CG2 THR A 686 19.363 6.625 5.988 1.00 6.46 C ATOM 0 H THR A 686 19.194 5.877 2.288 1.00 5.42 H new ATOM 0 HA THR A 686 19.184 4.477 4.772 1.00 5.41 H new ATOM 0 HB THR A 686 17.640 6.944 4.767 1.00 6.06 H new ATOM 0 HG1 THR A 686 19.403 8.296 4.024 1.00 6.59 H new ATOM 0 HG21 THR A 686 19.414 7.660 6.326 1.00 6.46 H new ATOM 0 HG22 THR A 686 18.812 6.032 6.717 1.00 6.46 H new ATOM 0 HG23 THR A 686 20.373 6.227 5.885 1.00 6.46 H new ATOM 1528 N ILE A 687 16.628 4.457 5.443 1.00 4.77 N ATOM 1529 CA ILE A 687 15.257 4.012 5.676 1.00 4.48 C ATOM 1530 C ILE A 687 15.035 2.593 5.159 1.00 4.38 C ATOM 1531 O ILE A 687 15.438 2.254 4.047 1.00 4.98 O ATOM 1532 CB ILE A 687 14.228 4.954 5.018 1.00 5.05 C ATOM 1533 CG1 ILE A 687 14.578 6.419 5.305 1.00 5.50 C ATOM 1534 CG2 ILE A 687 12.822 4.631 5.506 1.00 5.32 C ATOM 1535 CD1 ILE A 687 14.636 6.757 6.781 1.00 6.37 C ATOM 0 H ILE A 687 17.168 4.608 6.295 1.00 4.77 H new ATOM 0 HA ILE A 687 15.109 4.028 6.756 1.00 4.48 H new ATOM 0 HB ILE A 687 14.260 4.801 3.939 1.00 5.05 H new ATOM 0 HG12 ILE A 687 15.542 6.648 4.851 1.00 5.50 H new ATOM 0 HG13 ILE A 687 13.839 7.060 4.824 1.00 5.50 H new ATOM 0 HG21 ILE A 687 12.109 5.305 5.032 1.00 5.32 H new ATOM 0 HG22 ILE A 687 12.575 3.601 5.248 1.00 5.32 H new ATOM 0 HG23 ILE A 687 12.775 4.755 6.588 1.00 5.32 H new ATOM 0 HD11 ILE A 687 14.889 7.810 6.903 1.00 6.37 H new ATOM 0 HD12 ILE A 687 13.666 6.561 7.237 1.00 6.37 H new ATOM 0 HD13 ILE A 687 15.395 6.143 7.265 1.00 6.37 H new ATOM 1547 N LYS A 688 14.387 1.769 5.977 1.00 4.05 N ATOM 1548 CA LYS A 688 14.108 0.387 5.606 1.00 4.44 C ATOM 1549 C LYS A 688 12.614 0.176 5.380 1.00 4.69 C ATOM 1550 O LYS A 688 11.881 1.183 5.300 1.00 4.85 O ATOM 1551 CB LYS A 688 14.613 -0.567 6.691 1.00 4.76 C ATOM 1552 CG LYS A 688 14.104 -0.232 8.084 1.00 4.91 C ATOM 1553 CD LYS A 688 15.216 -0.314 9.117 1.00 5.48 C ATOM 1554 CE LYS A 688 15.771 1.061 9.452 1.00 5.80 C ATOM 1555 NZ LYS A 688 17.115 0.975 10.086 1.00 6.08 N ATOM 1556 OXT LYS A 688 12.191 -0.996 5.284 1.00 5.16 O ATOM 0 H LYS A 688 14.046 2.035 6.901 1.00 4.05 H new ATOM 0 HA LYS A 688 14.631 0.174 4.674 1.00 4.44 H new ATOM 0 HB2 LYS A 688 14.311 -1.583 6.438 1.00 4.76 H new ATOM 0 HB3 LYS A 688 15.703 -0.551 6.698 1.00 4.76 H new ATOM 0 HG2 LYS A 688 13.678 0.771 8.085 1.00 4.91 H new ATOM 0 HG3 LYS A 688 13.303 -0.919 8.355 1.00 4.91 H new ATOM 0 HD2 LYS A 688 14.837 -0.785 10.024 1.00 5.48 H new ATOM 0 HD3 LYS A 688 16.018 -0.949 8.740 1.00 5.48 H new ATOM 0 HE2 LYS A 688 15.836 1.658 8.543 1.00 5.80 H new ATOM 0 HE3 LYS A 688 15.084 1.576 10.124 1.00 5.80 H new ATOM 0 HZ1 LYS A 688 17.460 1.933 10.300 1.00 6.08 H new ATOM 0 HZ2 LYS A 688 17.049 0.426 10.967 1.00 6.08 H new ATOM 0 HZ3 LYS A 688 17.777 0.506 9.435 1.00 6.08 H new TER 1570 LYS A 688